smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2ccsc2c(N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000091594664 282094507 /nfs/dbraw/zinc/09/45/07/282094507.db2.gz FLASGYUDYLAPLL-OAHLLOKOSA-N 2 2 345.516 2.464 50 0 EEAALP Cc1nc2ccsc2c(N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000091594664 282094512 /nfs/dbraw/zinc/09/45/12/282094512.db2.gz FLASGYUDYLAPLL-OAHLLOKOSA-N 2 2 345.516 2.464 50 0 EEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)C2CCCCC2)[nH+]cn1 ZINC000072434126 216229240 /nfs/dbraw/zinc/22/92/40/216229240.db2.gz UTGXCAPJNJCICJ-UHFFFAOYSA-N 2 2 328.420 2.079 50 0 EEAALP c1cn(Cc2c[nH+]c3c(c2)CCC3)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072420058 203218566 /nfs/dbraw/zinc/21/85/66/203218566.db2.gz IMOFZUXMRDQCBF-UHFFFAOYSA-N 2 2 334.427 2.172 50 0 EEAALP Cc1nc2ccccn2c1C[N@@H+]1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077377111 203383593 /nfs/dbraw/zinc/38/35/93/203383593.db2.gz KRLQHMQGIWZYFZ-IBGZPJMESA-N 2 2 328.460 2.065 50 0 EEAALP Cc1nc2ccccn2c1C[N@H+]1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077377111 203383594 /nfs/dbraw/zinc/38/35/94/203383594.db2.gz KRLQHMQGIWZYFZ-IBGZPJMESA-N 2 2 328.460 2.065 50 0 EEAALP c1cncc(C[NH+]2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)c1 ZINC000077424936 203388788 /nfs/dbraw/zinc/38/87/88/203388788.db2.gz GHRBZAQMBVRNLP-LJQANCHMSA-N 2 2 345.487 2.364 50 0 EEAALP O=C([C@@H]1CCC[NH2+]CC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000299795084 258099570 /nfs/dbraw/zinc/09/95/70/258099570.db2.gz KGTNWDQSZIPVER-MRXNPFEDSA-N 2 2 335.879 2.374 50 0 EEAALP O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000299800455 258103578 /nfs/dbraw/zinc/10/35/78/258103578.db2.gz WSUWPLULSJZRED-IRXDYDNUSA-N 2 2 340.427 2.060 50 0 EEAALP Cc1cccn2c(CNC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)c[nH+]c12 ZINC000534647285 468269544 /nfs/dbraw/zinc/26/95/44/468269544.db2.gz OLSBZDGQVWWZIG-INIZCTEOSA-N 2 2 341.459 2.413 50 0 EEAALP O=C(NCC1(Cn2cc[nH+]c2)CC1)c1ccc(C[NH+]2CCCC2)o1 ZINC000534652331 468270515 /nfs/dbraw/zinc/27/05/15/468270515.db2.gz ZUAHHPIBSXVFHU-UHFFFAOYSA-N 2 2 328.416 2.282 50 0 EEAALP CC1(C)CC(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)CC(C)(C)[NH2+]1 ZINC000060633860 462562258 /nfs/dbraw/zinc/56/22/58/462562258.db2.gz LNHVDUYKKIFEOM-UHFFFAOYSA-N 2 2 327.432 2.306 50 0 EEAALP c1ncn(-c2ccc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)cc2)n1 ZINC000065380795 462760667 /nfs/dbraw/zinc/76/06/67/462760667.db2.gz NOSMRTBRHRWVQX-UHFFFAOYSA-N 2 2 348.454 2.417 50 0 EEAALP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)nc(N)[nH+]1 ZINC000091656148 462895389 /nfs/dbraw/zinc/89/53/89/462895389.db2.gz GMBLSMQGTXKKOV-MRXNPFEDSA-N 2 2 349.442 2.391 50 0 EEAALP Cc1nc2ccccn2c1C[N@H+]1CC[C@H]([NH+](C)C)[C@H](CCCO)C1 ZINC000091691156 462899832 /nfs/dbraw/zinc/89/98/32/462899832.db2.gz WIPXNSRNKZEMLF-SJORKVTESA-N 2 2 330.476 2.167 50 0 EEAALP Cc1nc2ccccn2c1C[N@@H+]1CC[C@H]([NH+](C)C)[C@H](CCCO)C1 ZINC000091691156 462899837 /nfs/dbraw/zinc/89/98/37/462899837.db2.gz WIPXNSRNKZEMLF-SJORKVTESA-N 2 2 330.476 2.167 50 0 EEAALP CC(C)c1nn(C)cc1C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000048711460 462932855 /nfs/dbraw/zinc/93/28/55/462932855.db2.gz BOWCAOCLVQUWPX-IBGZPJMESA-N 2 2 342.487 2.052 50 0 EEAALP CC(C)c1nn(C)cc1C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000048711460 462932862 /nfs/dbraw/zinc/93/28/62/462932862.db2.gz BOWCAOCLVQUWPX-IBGZPJMESA-N 2 2 342.487 2.052 50 0 EEAALP Cn1cc[nH+]c1CN1CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095498785 463094513 /nfs/dbraw/zinc/09/45/13/463094513.db2.gz RYJUNIMJMUNPDX-QGZVFWFLSA-N 2 2 340.471 2.179 50 0 EEAALP CC(C)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)no1 ZINC000121315094 463114972 /nfs/dbraw/zinc/11/49/72/463114972.db2.gz HZPQEZPMKLRQFO-UHFFFAOYSA-N 2 2 334.464 2.086 50 0 EEAALP CSCC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C2CCCCC2)CC1 ZINC000584902638 468960206 /nfs/dbraw/zinc/96/02/06/468960206.db2.gz QMXGYHKYQIYSBY-OAHLLOKOSA-N 2 2 327.538 2.147 50 0 EEAALP CSCC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C2CCCCC2)CC1 ZINC000584902638 468960209 /nfs/dbraw/zinc/96/02/09/468960209.db2.gz QMXGYHKYQIYSBY-OAHLLOKOSA-N 2 2 327.538 2.147 50 0 EEAALP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000685940687 539989466 /nfs/dbraw/zinc/98/94/66/539989466.db2.gz FOLYLAMPIBTELJ-KSSFIOAISA-N 2 2 327.432 2.277 50 0 EEAALP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000685940687 539989471 /nfs/dbraw/zinc/98/94/71/539989471.db2.gz FOLYLAMPIBTELJ-KSSFIOAISA-N 2 2 327.432 2.277 50 0 EEAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)c(C)[nH+]1 ZINC000071551743 203100417 /nfs/dbraw/zinc/10/04/17/203100417.db2.gz PFSSDYWAZVGKPQ-YVSFHVDLSA-N 2 2 342.487 2.350 50 0 EEAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)c(C)[nH+]1 ZINC000071551743 203100420 /nfs/dbraw/zinc/10/04/20/203100420.db2.gz PFSSDYWAZVGKPQ-YVSFHVDLSA-N 2 2 342.487 2.350 50 0 EEAALP COc1ccccc1OC1CC[NH+](Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072153931 203173952 /nfs/dbraw/zinc/17/39/52/203173952.db2.gz KIOFGMBMMKXAAT-UHFFFAOYSA-N 2 2 342.443 2.038 50 0 EEAALP C[C@H](CC[NH+]1CCC2(CC1)C(=O)NCCC[N@H+]2C)c1ccccc1 ZINC000097532738 463359932 /nfs/dbraw/zinc/35/99/32/463359932.db2.gz CKXDBLVXMIMRJJ-QGZVFWFLSA-N 2 2 329.488 2.467 50 0 EEAALP C[C@H](CC[NH+]1CCC2(CC1)C(=O)NCCC[N@@H+]2C)c1ccccc1 ZINC000097532738 463359939 /nfs/dbraw/zinc/35/99/39/463359939.db2.gz CKXDBLVXMIMRJJ-QGZVFWFLSA-N 2 2 329.488 2.467 50 0 EEAALP Cn1nncc1C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000110697463 463662912 /nfs/dbraw/zinc/66/29/12/463662912.db2.gz XOPYNWXSWRWJJP-WBMJQRKESA-N 2 2 337.830 2.390 50 0 EEAALP Cn1nncc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000110697463 463662930 /nfs/dbraw/zinc/66/29/30/463662930.db2.gz XOPYNWXSWRWJJP-WBMJQRKESA-N 2 2 337.830 2.390 50 0 EEAALP Cc1c[nH+]c(NC2CC[NH+](Cc3cccnc3)CC2)nc1N(C)C ZINC000823741556 798760834 /nfs/dbraw/zinc/76/08/34/798760834.db2.gz WHVAAAGZBLMEJE-UHFFFAOYSA-N 2 2 326.448 2.323 50 0 EEAALP COc1cc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)nc(N)[nH+]1 ZINC001506415519 1114600852 /nfs/dbraw/zinc/60/08/52/1114600852.db2.gz CYHOCHCUUDQCQN-UHFFFAOYSA-N 2 2 339.443 2.095 50 0 EEAALP COc1cc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)nc(N)[nH+]1 ZINC001506415519 1114600854 /nfs/dbraw/zinc/60/08/54/1114600854.db2.gz CYHOCHCUUDQCQN-UHFFFAOYSA-N 2 2 339.443 2.095 50 0 EEAALP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)CO[C@@H]1CCCc2ccccc21 ZINC000006909466 201705207 /nfs/dbraw/zinc/70/52/07/201705207.db2.gz FQYMDDDUGIUPBL-PKOBYXMFSA-N 2 2 329.444 2.318 50 0 EEAALP C[N@H+](CC(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)C1CC[NH2+]CC1 ZINC000215279634 241117946 /nfs/dbraw/zinc/11/79/46/241117946.db2.gz BNYLZXYCDKWLHU-KRWDZBQOSA-N 2 2 347.478 2.291 50 0 EEAALP C[N@@H+](CC(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)C1CC[NH2+]CC1 ZINC000215279634 241117950 /nfs/dbraw/zinc/11/79/50/241117950.db2.gz BNYLZXYCDKWLHU-KRWDZBQOSA-N 2 2 347.478 2.291 50 0 EEAALP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000216493691 241198166 /nfs/dbraw/zinc/19/81/66/241198166.db2.gz RZIFTVAWHGINAD-SFHVURJKSA-N 2 2 334.460 2.008 50 0 EEAALP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000216493691 241198171 /nfs/dbraw/zinc/19/81/71/241198171.db2.gz RZIFTVAWHGINAD-SFHVURJKSA-N 2 2 334.460 2.008 50 0 EEAALP CCn1cc[nH+]c1CN(C)c1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244816864 243085376 /nfs/dbraw/zinc/08/53/76/243085376.db2.gz SPWLFRBXNGAADY-HDJSIYSDSA-N 2 2 326.448 2.412 50 0 EEAALP CCN(C)c1cc(N2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)nc[nH+]1 ZINC000072454782 203228684 /nfs/dbraw/zinc/22/86/84/203228684.db2.gz PJEITGBLVISVPJ-QGZVFWFLSA-N 2 2 347.507 2.138 50 0 EEAALP CCN(C)c1cc(N2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)nc[nH+]1 ZINC000072454782 203228686 /nfs/dbraw/zinc/22/86/86/203228686.db2.gz PJEITGBLVISVPJ-QGZVFWFLSA-N 2 2 347.507 2.138 50 0 EEAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000077385126 203384505 /nfs/dbraw/zinc/38/45/05/203384505.db2.gz SNNDXHCYCFWESF-UHFFFAOYSA-N 2 2 328.464 2.134 50 0 EEAALP c1cn(CC2CC[NH+](Cc3cnc(N4CCOCC4)s3)CC2)c[nH+]1 ZINC000097522531 219032173 /nfs/dbraw/zinc/03/21/73/219032173.db2.gz IQHDWLJGOYFEAX-UHFFFAOYSA-N 2 2 347.488 2.088 50 0 EEAALP CCOC1CC[NH+](Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000215977268 258072077 /nfs/dbraw/zinc/07/20/77/258072077.db2.gz KXWUREMMOGLGJP-UHFFFAOYSA-N 2 2 348.487 2.399 50 0 EEAALP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000011665590 462835784 /nfs/dbraw/zinc/83/57/84/462835784.db2.gz YDLFKOUBACFFRU-KRWDZBQOSA-N 2 2 342.487 2.037 50 0 EEAALP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000011665590 462835793 /nfs/dbraw/zinc/83/57/93/462835793.db2.gz YDLFKOUBACFFRU-KRWDZBQOSA-N 2 2 342.487 2.037 50 0 EEAALP Cc1cc[nH+]c(NCCNC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000095374096 463071463 /nfs/dbraw/zinc/07/14/63/463071463.db2.gz CQFJERIGMRYENE-KRWDZBQOSA-N 2 2 330.407 2.360 50 0 EEAALP O[C@H]1CCC[N@H+](CCCn2cc[nH+]c2-c2ccc3c(c2)CCO3)C1 ZINC000067967758 463073820 /nfs/dbraw/zinc/07/38/20/463073820.db2.gz BCOXYYDWFQFWRX-KRWDZBQOSA-N 2 2 327.428 2.332 50 0 EEAALP O[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2-c2ccc3c(c2)CCO3)C1 ZINC000067967758 463073822 /nfs/dbraw/zinc/07/38/22/463073822.db2.gz BCOXYYDWFQFWRX-KRWDZBQOSA-N 2 2 327.428 2.332 50 0 EEAALP Cc1nn(C(C)C)c(C)c1CNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000222687654 464133118 /nfs/dbraw/zinc/13/31/18/464133118.db2.gz KRMJQDWCENYYLH-UHFFFAOYSA-N 2 2 329.452 2.270 50 0 EEAALP Cc1[nH]c(CN2CC[N@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)c[nH+]1 ZINC000036385853 201078919 /nfs/dbraw/zinc/07/89/19/201078919.db2.gz QYRGSRQNVFSQLX-LJQANCHMSA-N 2 2 328.460 2.095 50 0 EEAALP Cc1[nH]c(CN2CC[N@@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)c[nH+]1 ZINC000036385853 201078924 /nfs/dbraw/zinc/07/89/24/201078924.db2.gz QYRGSRQNVFSQLX-LJQANCHMSA-N 2 2 328.460 2.095 50 0 EEAALP Cc1[nH]cc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)[nH+]1 ZINC000036385853 201078928 /nfs/dbraw/zinc/07/89/28/201078928.db2.gz QYRGSRQNVFSQLX-LJQANCHMSA-N 2 2 328.460 2.095 50 0 EEAALP Cc1[nH]cc(CN2CC[N@@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)[nH+]1 ZINC000036385853 201078931 /nfs/dbraw/zinc/07/89/31/201078931.db2.gz QYRGSRQNVFSQLX-LJQANCHMSA-N 2 2 328.460 2.095 50 0 EEAALP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccccc1F ZINC000065473973 201153375 /nfs/dbraw/zinc/15/33/75/201153375.db2.gz IJULHCZVDLWXBS-HNNXBMFYSA-N 2 2 342.418 2.271 50 0 EEAALP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccccc1F ZINC000065473973 201153380 /nfs/dbraw/zinc/15/33/80/201153380.db2.gz IJULHCZVDLWXBS-HNNXBMFYSA-N 2 2 342.418 2.271 50 0 EEAALP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)on1 ZINC000065449367 201154621 /nfs/dbraw/zinc/15/46/21/201154621.db2.gz UFOGVBMAHDDWST-AWEZNQCLSA-N 2 2 329.404 2.059 50 0 EEAALP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)on1 ZINC000065449367 201154623 /nfs/dbraw/zinc/15/46/23/201154623.db2.gz UFOGVBMAHDDWST-AWEZNQCLSA-N 2 2 329.404 2.059 50 0 EEAALP c1cn(CCCOc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c[nH+]1 ZINC000216428779 241192514 /nfs/dbraw/zinc/19/25/14/241192514.db2.gz URSSSUIRUVCADO-HDICACEKSA-N 3 2 326.444 2.003 50 0 EEAALP c1cn(CCCOc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c[nH+]1 ZINC000216428779 241192522 /nfs/dbraw/zinc/19/25/22/241192522.db2.gz URSSSUIRUVCADO-HDICACEKSA-N 3 2 326.444 2.003 50 0 EEAALP COCC[N@@H+]1CC[C@H](Cn2cc[nH+]c2-c2ccc(NC(C)=O)cc2)C1 ZINC000071746825 285057099 /nfs/dbraw/zinc/05/70/99/285057099.db2.gz NRMHZIQASALSRH-INIZCTEOSA-N 2 2 342.443 2.477 50 0 EEAALP COCC[N@H+]1CC[C@H](Cn2cc[nH+]c2-c2ccc(NC(C)=O)cc2)C1 ZINC000071746825 285057100 /nfs/dbraw/zinc/05/71/00/285057100.db2.gz NRMHZIQASALSRH-INIZCTEOSA-N 2 2 342.443 2.477 50 0 EEAALP c1cn(CCOc2ccc(CN3C[C@H]4CC[C@@H](C3)[NH2+]C4)cc2)c[nH+]1 ZINC000097522086 219032641 /nfs/dbraw/zinc/03/26/41/219032641.db2.gz MYKQMOHXYWCOBS-ROUUACIJSA-N 2 2 326.444 2.146 50 0 EEAALP COCC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000298076149 294414117 /nfs/dbraw/zinc/41/41/17/294414117.db2.gz MKUGWNVRRXWZHE-UHFFFAOYSA-N 2 2 345.487 2.077 50 0 EEAALP Cn1c(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc2cc(F)ccc21 ZINC000091689922 462899366 /nfs/dbraw/zinc/89/93/66/462899366.db2.gz XLCQXWQMIHBFHY-IAGOWNOFSA-N 2 2 345.462 2.454 50 0 EEAALP Cn1c(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc2cc(F)ccc21 ZINC000091689922 462899369 /nfs/dbraw/zinc/89/93/69/462899369.db2.gz XLCQXWQMIHBFHY-IAGOWNOFSA-N 2 2 345.462 2.454 50 0 EEAALP Cc1[nH+]ccn1CCCC(=O)N1CCN(c2[nH+]cccc2C)CC1 ZINC000095381481 463071052 /nfs/dbraw/zinc/07/10/52/463071052.db2.gz LFUYGYIHBGRYLN-UHFFFAOYSA-N 2 2 327.432 2.024 50 0 EEAALP Cc1nc(N2CCC([NH+]3CCSCC3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252572231 464983830 /nfs/dbraw/zinc/98/38/30/464983830.db2.gz ZAAFAADTBQSVBF-FZNQNYSPSA-N 2 2 348.516 2.041 50 0 EEAALP CN(CCn1cc[nH+]c1)C(=O)NC[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000584903485 468960638 /nfs/dbraw/zinc/96/06/38/468960638.db2.gz CVZNCJOPEPZDSK-INIZCTEOSA-N 2 2 333.480 2.179 50 0 EEAALP CN(CCn1cc[nH+]c1)C(=O)NC[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000584903485 468960643 /nfs/dbraw/zinc/96/06/43/468960643.db2.gz CVZNCJOPEPZDSK-INIZCTEOSA-N 2 2 333.480 2.179 50 0 EEAALP Cc1ccc([C@@H](CNC(=O)N(C)CCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000534634160 485548728 /nfs/dbraw/zinc/54/87/28/485548728.db2.gz AWFOVZMORVSWDR-QGZVFWFLSA-N 2 2 329.448 2.136 50 0 EEAALP COCc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1OC ZINC000215642585 241135927 /nfs/dbraw/zinc/13/59/27/241135927.db2.gz HRKKLFORCNOIFE-SFHVURJKSA-N 2 2 348.487 2.386 50 0 EEAALP COCc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1OC ZINC000215642585 241135931 /nfs/dbraw/zinc/13/59/31/241135931.db2.gz HRKKLFORCNOIFE-SFHVURJKSA-N 2 2 348.487 2.386 50 0 EEAALP C[C@@H](NC(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000244712719 243063850 /nfs/dbraw/zinc/06/38/50/243063850.db2.gz KVHQAIXSWXKHEY-QGZVFWFLSA-N 2 2 345.487 2.051 50 0 EEAALP Cc1cc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c(C)n1-n1cnnc1 ZINC000071755455 203109324 /nfs/dbraw/zinc/10/93/24/203109324.db2.gz VERGABDVEWJIMX-KRWDZBQOSA-N 2 2 339.447 2.117 50 0 EEAALP Cc1cc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c(C)n1-n1cnnc1 ZINC000071755455 203109326 /nfs/dbraw/zinc/10/93/26/203109326.db2.gz VERGABDVEWJIMX-KRWDZBQOSA-N 2 2 339.447 2.117 50 0 EEAALP C[N@@H+]1CC[C@H]2CN(c3cc(Sc4cccs4)[nH+]c(N)n3)C[C@H]21 ZINC000077517987 203393123 /nfs/dbraw/zinc/39/31/23/203393123.db2.gz AYISDZAEJXMUIW-WDEREUQCSA-N 2 2 333.486 2.412 50 0 EEAALP C[N@H+]1CC[C@H]2CN(c3cc(Sc4cccs4)[nH+]c(N)n3)C[C@H]21 ZINC000077517987 203393126 /nfs/dbraw/zinc/39/31/26/203393126.db2.gz AYISDZAEJXMUIW-WDEREUQCSA-N 2 2 333.486 2.412 50 0 EEAALP COc1ccc([C@H]([NH3+])CC(=O)Nc2c[nH+]c3n2CCCC3)cc1OC ZINC000067946777 463072069 /nfs/dbraw/zinc/07/20/69/463072069.db2.gz LOOVASAXMCTPDG-CYBMUJFWSA-N 2 2 344.415 2.265 50 0 EEAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(F)cc2)C1 ZINC000082096653 463512676 /nfs/dbraw/zinc/51/26/76/463512676.db2.gz HFHHPWGPTLZVPN-INIZCTEOSA-N 2 2 344.434 2.098 50 0 EEAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(F)cc2)C1 ZINC000082096653 463512680 /nfs/dbraw/zinc/51/26/80/463512680.db2.gz HFHHPWGPTLZVPN-INIZCTEOSA-N 2 2 344.434 2.098 50 0 EEAALP CCCc1cc(NCC2([NH+]3CCN(C)CC3)CCCC2)nc(C)[nH+]1 ZINC000584894050 468957836 /nfs/dbraw/zinc/95/78/36/468957836.db2.gz PSMNIWDNBRJZHG-UHFFFAOYSA-N 2 2 331.508 2.710 50 0 EEAALP Cc1cc(N2CCC([NH2+][C@@H]3CCCCNC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000095499487 1215426247 /nfs/dbraw/zinc/42/62/47/1215426247.db2.gz DMJWCLXYTDSWBW-MRXNPFEDSA-N 2 2 345.491 2.136 50 0 EEAALP OC1(Cn2cc[nH+]c2)CC[NH+](C[C@@]2(c3ccccc3)CCOC2)CC1 ZINC000215358791 241119860 /nfs/dbraw/zinc/11/98/60/241119860.db2.gz MRDKZZUIQOENFW-IBGZPJMESA-N 2 2 341.455 2.068 50 0 EEAALP CN(Cc1cnn(-c2ccccc2)c1)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244773864 243078275 /nfs/dbraw/zinc/07/82/75/243078275.db2.gz PHZHRAQLJUBWBS-GASCZTMLSA-N 2 2 349.442 2.086 50 0 EEAALP OCCNc1cc(N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)nc[nH+]1 ZINC000072462982 203228187 /nfs/dbraw/zinc/22/81/87/203228187.db2.gz YMOCXLMACWZZBF-HNNXBMFYSA-N 2 2 333.480 2.480 50 0 EEAALP OCCNc1cc(N[C@H]2CCC[N@H+](C3CCCCCC3)C2)nc[nH+]1 ZINC000072462982 203228188 /nfs/dbraw/zinc/22/81/88/203228188.db2.gz YMOCXLMACWZZBF-HNNXBMFYSA-N 2 2 333.480 2.480 50 0 EEAALP COc1cccc(-c2ncc(C[N@@H+]3CC[C@@](O)(C[NH+](C)C)C3)s2)c1 ZINC000072470260 203229607 /nfs/dbraw/zinc/22/96/07/203229607.db2.gz LLAMRHISHYMCKR-GOSISDBHSA-N 2 2 347.484 2.317 50 0 EEAALP COc1cccc(-c2ncc(C[N@H+]3CC[C@@](O)(C[NH+](C)C)C3)s2)c1 ZINC000072470260 203229611 /nfs/dbraw/zinc/22/96/11/203229611.db2.gz LLAMRHISHYMCKR-GOSISDBHSA-N 2 2 347.484 2.317 50 0 EEAALP CC(=O)Nc1ccc([C@@H]([NH3+])[C@H]([NH3+])c2ccc(NC(C)=O)cc2)cc1 ZINC000095532358 278204681 /nfs/dbraw/zinc/20/46/81/278204681.db2.gz SBHRLHGTRPGBKR-QZTJIDSGSA-N 2 2 326.400 2.303 50 0 EEAALP c1ccc(C[NH+]2CCC(N3CCC([NH+]4CCOCC4)CC3)CC2)cc1 ZINC000004398938 462631304 /nfs/dbraw/zinc/63/13/04/462631304.db2.gz MVHKHYJHQRHXGW-UHFFFAOYSA-N 2 2 343.515 2.448 50 0 EEAALP c1ccc(C[NH+]2CCC([NH+]3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC000004398938 462631309 /nfs/dbraw/zinc/63/13/09/462631309.db2.gz MVHKHYJHQRHXGW-UHFFFAOYSA-N 2 2 343.515 2.448 50 0 EEAALP C[NH+](C)C1(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC000072173996 463482455 /nfs/dbraw/zinc/48/24/55/463482455.db2.gz CKIRXGXURKIUFF-FQEVSTJZSA-N 2 2 349.478 2.259 50 0 EEAALP COc1cccc(CN2CCCC[C@H]([NH3+])C2)c1OCCn1cc[nH+]c1 ZINC000082137028 463518813 /nfs/dbraw/zinc/51/88/13/463518813.db2.gz PJXGPWSDSXBHEK-KRWDZBQOSA-N 2 2 344.459 2.284 50 0 EEAALP CSCC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C2CCCCC2)CC1 ZINC000584902637 468959590 /nfs/dbraw/zinc/95/95/90/468959590.db2.gz QMXGYHKYQIYSBY-HNNXBMFYSA-N 2 2 327.538 2.147 50 0 EEAALP CSCC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C2CCCCC2)CC1 ZINC000584902637 468959597 /nfs/dbraw/zinc/95/95/97/468959597.db2.gz QMXGYHKYQIYSBY-HNNXBMFYSA-N 2 2 327.538 2.147 50 0 EEAALP C[N@H+](CC(=O)NCC1([NH+]2CCCC2)CCCC1)Cc1cccnc1 ZINC000223374091 282354615 /nfs/dbraw/zinc/35/46/15/282354615.db2.gz NVZZUPCHNVEEIL-UHFFFAOYSA-N 2 2 330.476 2.038 50 0 EEAALP C[N@@H+](CC(=O)NCC1([NH+]2CCCC2)CCCC1)Cc1cccnc1 ZINC000223374091 282354617 /nfs/dbraw/zinc/35/46/17/282354617.db2.gz NVZZUPCHNVEEIL-UHFFFAOYSA-N 2 2 330.476 2.038 50 0 EEAALP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCc1cccs1 ZINC000097200581 201381817 /nfs/dbraw/zinc/38/18/17/201381817.db2.gz ZLCCZVIFCONZMQ-HNNXBMFYSA-N 2 2 344.484 2.236 50 0 EEAALP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCc1cccs1 ZINC000097200581 201381821 /nfs/dbraw/zinc/38/18/21/201381821.db2.gz ZLCCZVIFCONZMQ-HNNXBMFYSA-N 2 2 344.484 2.236 50 0 EEAALP C[N@H+](CC(=O)N1CC=C(c2ccc(F)cc2)CC1)C1CC[NH2+]CC1 ZINC000216077391 241164018 /nfs/dbraw/zinc/16/40/18/241164018.db2.gz DXZXPDUBLCPTBZ-UHFFFAOYSA-N 2 2 331.435 2.125 50 0 EEAALP C[N@@H+](CC(=O)N1CC=C(c2ccc(F)cc2)CC1)C1CC[NH2+]CC1 ZINC000216077391 241164024 /nfs/dbraw/zinc/16/40/24/241164024.db2.gz DXZXPDUBLCPTBZ-UHFFFAOYSA-N 2 2 331.435 2.125 50 0 EEAALP Cc1cc(C)c2[nH]c(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cc(=O)c2c1 ZINC000253536653 244012618 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2.432 50 0 EEAALP COc1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCC[NH2+]C3)OCCCO2 ZINC000067723229 286253831 /nfs/dbraw/zinc/25/38/31/286253831.db2.gz AYYKLHCIBVWGLM-LJQANCHMSA-N 2 2 332.444 2.432 50 0 EEAALP Cc1cccc(N2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)[nH+]1 ZINC000020599647 274793744 /nfs/dbraw/zinc/79/37/44/274793744.db2.gz UZDQPZUYGBFPSB-INIZCTEOSA-N 2 2 325.412 2.352 50 0 EEAALP Cc1[nH+]cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1-c1ccccc1 ZINC000110651072 463661199 /nfs/dbraw/zinc/66/11/99/463661199.db2.gz NOZFIOIRPIYQJV-HKUYNNGSSA-N 2 2 326.444 2.134 50 0 EEAALP Cc1[nH+]cc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)n1-c1ccccc1 ZINC000110651072 463661203 /nfs/dbraw/zinc/66/12/03/463661203.db2.gz NOZFIOIRPIYQJV-HKUYNNGSSA-N 2 2 326.444 2.134 50 0 EEAALP Cc1nc(NCC[N@@H+](C)CCc2ccccc2)cc([C@H]2CCOC2)[nH+]1 ZINC000426502889 467143027 /nfs/dbraw/zinc/14/30/27/467143027.db2.gz KSCFSNVAGKUQQY-SFHVURJKSA-N 2 2 340.471 2.875 50 0 EEAALP Cc1nc(NCC[N@H+](C)CCc2ccccc2)cc([C@H]2CCOC2)[nH+]1 ZINC000426502889 467143032 /nfs/dbraw/zinc/14/30/32/467143032.db2.gz KSCFSNVAGKUQQY-SFHVURJKSA-N 2 2 340.471 2.875 50 0 EEAALP CSc1nc(NC2CC[NH+](Cc3ccncc3)CC2)cc(N)[nH+]1 ZINC000824952192 800304308 /nfs/dbraw/zinc/30/43/08/800304308.db2.gz KSEMTCAPFCEZJR-UHFFFAOYSA-N 2 2 330.461 2.252 50 0 EEAALP CSc1nc(N)cc(NC2CC[NH+](Cc3ccncc3)CC2)[nH+]1 ZINC000824952192 800304313 /nfs/dbraw/zinc/30/43/13/800304313.db2.gz KSEMTCAPFCEZJR-UHFFFAOYSA-N 2 2 330.461 2.252 50 0 EEAALP COc1cccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000030903534 202200742 /nfs/dbraw/zinc/20/07/42/202200742.db2.gz NOAFAZKRIAVDTA-IBGZPJMESA-N 2 2 326.440 2.204 50 0 EEAALP COc1cccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000030903534 202200746 /nfs/dbraw/zinc/20/07/46/202200746.db2.gz NOAFAZKRIAVDTA-IBGZPJMESA-N 2 2 326.440 2.204 50 0 EEAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(Sc2nncn2C)o1 ZINC000215642799 241136017 /nfs/dbraw/zinc/13/60/17/241136017.db2.gz KGAQNGWHTAONHZ-UHFFFAOYSA-N 2 2 332.433 2.196 50 0 EEAALP 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EEAALP CCCCC[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072457771 216244032 /nfs/dbraw/zinc/24/40/32/216244032.db2.gz SDKFTKJCHIBCSH-MRXNPFEDSA-N 2 2 349.523 2.141 50 0 EEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000216517386 241198612 /nfs/dbraw/zinc/19/86/12/241198612.db2.gz DWUCJMYNXZCXCJ-CQSZACIVSA-N 2 2 347.488 2.093 50 0 EEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000216517386 241198616 /nfs/dbraw/zinc/19/86/16/241198616.db2.gz DWUCJMYNXZCXCJ-CQSZACIVSA-N 2 2 347.488 2.093 50 0 EEAALP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)CO[C@H]1CCCc2ccccc21 ZINC000006909460 462711029 /nfs/dbraw/zinc/71/10/29/462711029.db2.gz FQYMDDDUGIUPBL-HKUYNNGSSA-N 2 2 329.444 2.318 50 0 EEAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 ZINC000077358178 462973685 /nfs/dbraw/zinc/97/36/85/462973685.db2.gz DZNVGMFATRBCMC-INIZCTEOSA-N 2 2 348.834 2.003 50 0 EEAALP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)on1 ZINC000097200912 463345545 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COc1cc2c(cc1C[N@H+](C)CCn1cc[nH+]c1C)OCCCO2 ZINC000216499860 241198887 /nfs/dbraw/zinc/19/88/87/241198887.db2.gz PRCGHBOAJJEIJK-UHFFFAOYSA-N 2 2 331.416 2.493 50 0 EEAALP COc1cc2c(cc1C[N@@H+](C)CCn1cc[nH+]c1C)OCCCO2 ZINC000216499860 241198893 /nfs/dbraw/zinc/19/88/93/241198893.db2.gz PRCGHBOAJJEIJK-UHFFFAOYSA-N 2 2 331.416 2.493 50 0 EEAALP C[NH+](C)Cc1nnc(C2CC[NH+](C3CCOCC3)CC2)n1C1CC1 ZINC000092028168 218105422 /nfs/dbraw/zinc/10/54/22/218105422.db2.gz QRINHRGJOZBIOF-UHFFFAOYSA-N 2 2 333.480 2.033 50 0 EEAALP C[N@H+](CC(=O)NCc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000097288838 219009178 /nfs/dbraw/zinc/00/91/78/219009178.db2.gz YGHUGSPJXHKZRT-UHFFFAOYSA-N 2 2 329.366 2.005 50 0 EEAALP C[N@@H+](CC(=O)NCc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000097288838 219009181 /nfs/dbraw/zinc/00/91/81/219009181.db2.gz YGHUGSPJXHKZRT-UHFFFAOYSA-N 2 2 329.366 2.005 50 0 EEAALP COc1ccc(N2CC[N@H+](CCCn3cc[nH+]c3C)[C@H](C)C2=O)cc1 ZINC000077420350 462983157 /nfs/dbraw/zinc/98/31/57/462983157.db2.gz AOYRZSOOYWCNLF-OAHLLOKOSA-N 2 2 342.443 2.328 50 0 EEAALP COc1ccc(N2CC[N@@H+](CCCn3cc[nH+]c3C)[C@H](C)C2=O)cc1 ZINC000077420350 462983161 /nfs/dbraw/zinc/98/31/61/462983161.db2.gz AOYRZSOOYWCNLF-OAHLLOKOSA-N 2 2 342.443 2.328 50 0 EEAALP Cc1c[nH+]ccc1N1CCC[N@@H+]([C@H](C)C(=O)Nc2nccs2)CC1 ZINC000106253807 463508952 /nfs/dbraw/zinc/50/89/52/463508952.db2.gz XNDCFIOAQLVEDD-CQSZACIVSA-N 2 2 345.472 2.386 50 0 EEAALP Cc1c[nH+]ccc1N1CCC[N@H+]([C@H](C)C(=O)Nc2nccs2)CC1 ZINC000106253807 463508962 /nfs/dbraw/zinc/50/89/62/463508962.db2.gz XNDCFIOAQLVEDD-CQSZACIVSA-N 2 2 345.472 2.386 50 0 EEAALP CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N(C)CCCc1[nH+]ccn1C ZINC000223733846 464146871 /nfs/dbraw/zinc/14/68/71/464146871.db2.gz JTQXEBDUKSKJPY-GOSISDBHSA-N 2 2 340.471 2.258 50 0 EEAALP CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N(C)CCCc1[nH+]ccn1C ZINC000223733846 464146876 /nfs/dbraw/zinc/14/68/76/464146876.db2.gz JTQXEBDUKSKJPY-GOSISDBHSA-N 2 2 340.471 2.258 50 0 EEAALP Cc1ccc2[nH+]c(CNC(=O)CSCC[NH+]3CCCC3)cn2c1 ZINC000299773948 465886474 /nfs/dbraw/zinc/88/64/74/465886474.db2.gz GYNPINKGJHLATM-UHFFFAOYSA-N 2 2 332.473 2.088 50 0 EEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1onc3ccccc31)CCC[N@@H+]2C ZINC000067955969 215259085 /nfs/dbraw/zinc/25/90/85/215259085.db2.gz NBELJGOUJZVGFI-UHFFFAOYSA-N 2 2 342.443 2.070 50 0 EEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1onc3ccccc31)CCC[N@H+]2C ZINC000067955969 215259087 /nfs/dbraw/zinc/25/90/87/215259087.db2.gz NBELJGOUJZVGFI-UHFFFAOYSA-N 2 2 342.443 2.070 50 0 EEAALP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](Nc1[nH+]c3ccccc3n1C)C2 ZINC000685941523 539989585 /nfs/dbraw/zinc/98/95/85/539989585.db2.gz YSAJZNNDPNNPLY-KLICCBINSA-N 2 2 328.460 2.465 50 0 EEAALP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](Nc1[nH+]c3ccccc3n1C)C2 ZINC000685941523 539989588 /nfs/dbraw/zinc/98/95/88/539989588.db2.gz YSAJZNNDPNNPLY-KLICCBINSA-N 2 2 328.460 2.465 50 0 EEAALP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000072279193 216105827 /nfs/dbraw/zinc/10/58/27/216105827.db2.gz ZCGYLBHHARZHRQ-ROUUACIJSA-N 2 2 338.455 2.287 50 0 EEAALP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000072279193 216105830 /nfs/dbraw/zinc/10/58/30/216105830.db2.gz ZCGYLBHHARZHRQ-ROUUACIJSA-N 2 2 338.455 2.287 50 0 EEAALP Cc1ccc2[nH]c(C[N@H+]3CCCN(C)C4(CC[NH2+]CC4)C3)nc2c1C ZINC000244678532 243055179 /nfs/dbraw/zinc/05/51/79/243055179.db2.gz IFKRNGJHGGAMQB-UHFFFAOYSA-N 2 2 341.503 2.439 50 0 EEAALP Cc1ccc2[nH]c(C[N@@H+]3CCCN(C)C4(CC[NH2+]CC4)C3)nc2c1C ZINC000244678532 243055183 /nfs/dbraw/zinc/05/51/83/243055183.db2.gz IFKRNGJHGGAMQB-UHFFFAOYSA-N 2 2 341.503 2.439 50 0 EEAALP Cc1[nH]c(C[NH2+][C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)c[nH+]1 ZINC000012317600 211344612 /nfs/dbraw/zinc/34/46/12/211344612.db2.gz XPXFZZJUKAGBHW-OAHLLOKOSA-N 2 2 332.835 2.305 50 0 EEAALP Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)nc(N)[nH+]1 ZINC000091656147 218041255 /nfs/dbraw/zinc/04/12/55/218041255.db2.gz GMBLSMQGTXKKOV-INIZCTEOSA-N 2 2 349.442 2.391 50 0 EEAALP C[NH2+]CCCC[NH2+]C1CCN(c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000063884092 462680745 /nfs/dbraw/zinc/68/07/45/462680745.db2.gz ZCGQISAUDYEPKO-UHFFFAOYSA-N 3 2 327.476 2.430 50 0 EEAALP CSc1nccc(N2CC[NH+](CC(C)(C)C[NH+]3CCCC3)CC2)n1 ZINC000065434256 462770066 /nfs/dbraw/zinc/77/00/66/462770066.db2.gz ZUNPKVRNMFGAQY-UHFFFAOYSA-N 2 2 349.548 2.443 50 0 EEAALP CCCn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000534586788 468265732 /nfs/dbraw/zinc/26/57/32/468265732.db2.gz QECJYWCVNAORJT-HNNXBMFYSA-N 2 2 330.432 2.415 50 0 EEAALP CCCn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000534586788 468265734 /nfs/dbraw/zinc/26/57/34/468265734.db2.gz QECJYWCVNAORJT-HNNXBMFYSA-N 2 2 330.432 2.415 50 0 EEAALP C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3[nH+]cnc4[nH]ccc43)cc2)C1 ZINC000534587347 468266107 /nfs/dbraw/zinc/26/61/07/468266107.db2.gz UBZDVBOBBYGWKS-OAHLLOKOSA-N 2 2 335.411 2.401 50 0 EEAALP [NH3+]Cc1nc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)co1 ZINC000670471430 485654666 /nfs/dbraw/zinc/65/46/66/485654666.db2.gz IOKMHNWHKLTQGZ-QGZVFWFLSA-N 2 2 342.443 2.480 50 0 EEAALP Fc1ccc(O[C@H]2CCC[N@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)cc1 ZINC000072167867 1370313485 /nfs/dbraw/zinc/31/34/85/1370313485.db2.gz DJPAYXCDUCRSPI-SFHVURJKSA-N 2 2 330.407 2.169 50 0 EEAALP Fc1ccc(O[C@H]2CCC[N@@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)cc1 ZINC000072167867 1370313489 /nfs/dbraw/zinc/31/34/89/1370313489.db2.gz DJPAYXCDUCRSPI-SFHVURJKSA-N 2 2 330.407 2.169 50 0 EEAALP Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)C4CCC4)C[C@]3(C[NH+](C)C)C2)o1 ZINC001772814743 1410371154 /nfs/dbraw/zinc/37/11/54/1410371154.db2.gz QUFCMNGIWHIECX-PXNSSMCTSA-N 2 2 345.487 2.210 50 0 EEAALP Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)C4CCC4)C[C@]3(C[NH+](C)C)C2)o1 ZINC001772814743 1410371160 /nfs/dbraw/zinc/37/11/60/1410371160.db2.gz QUFCMNGIWHIECX-PXNSSMCTSA-N 2 2 345.487 2.210 50 0 EEAALP CCOc1ccc(C[NH+]2CCN(c3[nH+]cnc4[nH]ccc43)CC2)cn1 ZINC000067955099 215258756 /nfs/dbraw/zinc/25/87/56/215258756.db2.gz XADLHWQMORBTKW-UHFFFAOYSA-N 2 2 338.415 2.074 50 0 EEAALP C[N@H+](Cc1cc2n(n1)CCC[NH2+]C2)Cc1ccc2nsnc2c1 ZINC000072146066 216032792 /nfs/dbraw/zinc/03/27/92/216032792.db2.gz CTWUNRTWDDVINO-UHFFFAOYSA-N 2 2 328.445 2.013 50 0 EEAALP C[N@@H+](Cc1cc2n(n1)CCC[NH2+]C2)Cc1ccc2nsnc2c1 ZINC000072146066 216032795 /nfs/dbraw/zinc/03/27/95/216032795.db2.gz CTWUNRTWDDVINO-UHFFFAOYSA-N 2 2 328.445 2.013 50 0 EEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)CCc3ccsc3)C2)CC1 ZINC000020540235 212145706 /nfs/dbraw/zinc/14/57/06/212145706.db2.gz HVGWMXAQHUSYCI-MRXNPFEDSA-N 2 2 335.517 2.356 50 0 EEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)CCc3ccsc3)C2)CC1 ZINC000020540235 212145708 /nfs/dbraw/zinc/14/57/08/212145708.db2.gz HVGWMXAQHUSYCI-MRXNPFEDSA-N 2 2 335.517 2.356 50 0 EEAALP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1[nH+]ccn1C)C2 ZINC000091586726 218025752 /nfs/dbraw/zinc/02/57/52/218025752.db2.gz VJZNMRNDOBNVNA-JKSUJKDBSA-N 2 2 329.448 2.121 50 0 EEAALP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1[nH+]ccn1C)C2 ZINC000091586726 218025754 /nfs/dbraw/zinc/02/57/54/218025754.db2.gz VJZNMRNDOBNVNA-JKSUJKDBSA-N 2 2 329.448 2.121 50 0 EEAALP CCc1c(C)[nH+]c(N)nc1NC[C@@H](c1ccc(C)o1)[NH+]1CCOCC1 ZINC000095373951 218306422 /nfs/dbraw/zinc/30/64/22/218306422.db2.gz AKAYEODMVGGBSF-HNNXBMFYSA-N 2 2 345.447 2.316 50 0 EEAALP Cc1nonc1C[N@@H+](C)Cc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000299784287 258091775 /nfs/dbraw/zinc/09/17/75/258091775.db2.gz OTXWCUPHULMRJL-MRXNPFEDSA-N 2 2 330.432 2.388 50 0 EEAALP Cc1nonc1C[N@H+](C)Cc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000299784287 258091777 /nfs/dbraw/zinc/09/17/77/258091777.db2.gz OTXWCUPHULMRJL-MRXNPFEDSA-N 2 2 330.432 2.388 50 0 EEAALP CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)C[NH+](CC(C)C)CCO2 ZINC000299792133 258097236 /nfs/dbraw/zinc/09/72/36/258097236.db2.gz DIXMEJQVTVOBSB-SFHVURJKSA-N 2 2 345.487 2.247 50 0 EEAALP CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)C[NH+](CC(C)C)CCO2 ZINC000299792133 258097238 /nfs/dbraw/zinc/09/72/38/258097238.db2.gz DIXMEJQVTVOBSB-SFHVURJKSA-N 2 2 345.487 2.247 50 0 EEAALP CC[C@H]1C(=O)NCC[NH+]1Cc1ccc2c(c1)C[N@@H+](CC(C)C)CCO2 ZINC000299792133 258097240 /nfs/dbraw/zinc/09/72/40/258097240.db2.gz DIXMEJQVTVOBSB-SFHVURJKSA-N 2 2 345.487 2.247 50 0 EEAALP CC[C@H]1C(=O)NCC[NH+]1Cc1ccc2c(c1)C[N@H+](CC(C)C)CCO2 ZINC000299792133 258097241 /nfs/dbraw/zinc/09/72/41/258097241.db2.gz DIXMEJQVTVOBSB-SFHVURJKSA-N 2 2 345.487 2.247 50 0 EEAALP C[N@H+](CC(=O)N1CC[C@H](c2cccc(Cl)c2)C1)C1CC[NH2+]CC1 ZINC000534653050 468270479 /nfs/dbraw/zinc/27/04/79/468270479.db2.gz VHHZUJPCWXOPGC-HNNXBMFYSA-N 2 2 335.879 2.340 50 0 EEAALP C[N@@H+](CC(=O)N1CC[C@H](c2cccc(Cl)c2)C1)C1CC[NH2+]CC1 ZINC000534653050 468270487 /nfs/dbraw/zinc/27/04/87/468270487.db2.gz VHHZUJPCWXOPGC-HNNXBMFYSA-N 2 2 335.879 2.340 50 0 EEAALP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085472856 462550504 /nfs/dbraw/zinc/55/05/04/462550504.db2.gz IGPWKVCWITWASV-UHFFFAOYSA-N 2 2 347.422 2.225 50 0 EEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccco3)[nH+]c(C)n2)c1C ZINC000085534087 462552901 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ZXGIRWINEHPJCX-OAHLLOKOSA-N 2 2 346.475 2.166 50 0 EEAALP Cc1ccc(NC(=O)C[NH+](C)C)c(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000952991214 796166706 /nfs/dbraw/zinc/16/67/06/796166706.db2.gz ZXGIRWINEHPJCX-OAHLLOKOSA-N 2 2 346.475 2.166 50 0 EEAALP Cc1[nH+]ccn1CCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000055243508 214293873 /nfs/dbraw/zinc/29/38/73/214293873.db2.gz HANMQURAVGZGJK-UHFFFAOYSA-N 2 2 326.444 2.234 50 0 EEAALP C([C@H]1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1)[NH+]1CCOCC1 ZINC000067805115 215218331 /nfs/dbraw/zinc/21/83/31/215218331.db2.gz DBJURIYCSQNFLU-GOSISDBHSA-N 3 2 335.536 2.343 50 0 EEAALP C([C@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1)[NH+]1CCOCC1 ZINC000067805115 215218335 /nfs/dbraw/zinc/21/83/35/215218335.db2.gz DBJURIYCSQNFLU-GOSISDBHSA-N 3 2 335.536 2.343 50 0 EEAALP CCn1cc[nH+]c1CN1CC[N@H+](Cc2ccccc2C)[C@H](CCO)C1 ZINC000039447585 213236466 /nfs/dbraw/zinc/23/64/66/213236466.db2.gz LNXPBUMGMNBGGZ-LJQANCHMSA-N 2 2 342.487 2.280 50 0 EEAALP CCn1cc[nH+]c1CN1CC[N@@H+](Cc2ccccc2C)[C@H](CCO)C1 ZINC000039447585 213236472 /nfs/dbraw/zinc/23/64/72/213236472.db2.gz LNXPBUMGMNBGGZ-LJQANCHMSA-N 2 2 342.487 2.280 50 0 EEAALP CCC[NH+](CCC)C1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000219186288 241370492 /nfs/dbraw/zinc/37/04/92/241370492.db2.gz LNGDPZZMSMQWBT-UHFFFAOYSA-N 3 2 346.523 2.354 50 0 EEAALP C[NH+](C)C[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)cs2)C[C@@H]1CO ZINC000091411251 218001843 /nfs/dbraw/zinc/00/18/43/218001843.db2.gz VFVJAKUWCHEQTC-HZPDHXFCSA-N 2 2 331.485 2.412 50 0 EEAALP C[NH+](C)C[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)C[C@@H]1CO ZINC000091411251 218001844 /nfs/dbraw/zinc/00/18/44/218001844.db2.gz VFVJAKUWCHEQTC-HZPDHXFCSA-N 2 2 331.485 2.412 50 0 EEAALP C[NH+]1CCN(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)CC1 ZINC000095382797 218314778 /nfs/dbraw/zinc/31/47/78/218314778.db2.gz KFIPLKUNTYPBGX-QGZVFWFLSA-N 2 2 345.491 2.230 50 0 EEAALP Nc1cc[nH+]c(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)n1 ZINC000095392763 218324034 /nfs/dbraw/zinc/32/40/34/218324034.db2.gz MKTBUFKTHIPVFP-LBPRGKRZSA-N 2 2 341.444 2.144 50 0 EEAALP Cc1c[nH+]ccc1N1CCC[N@@H+]([C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000065396941 279027299 /nfs/dbraw/zinc/02/72/99/279027299.db2.gz XNDCFIOAQLVEDD-AWEZNQCLSA-N 2 2 345.472 2.386 50 0 EEAALP Cc1c[nH+]ccc1N1CCC[N@H+]([C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000065396941 279027301 /nfs/dbraw/zinc/02/73/01/279027301.db2.gz XNDCFIOAQLVEDD-AWEZNQCLSA-N 2 2 345.472 2.386 50 0 EEAALP C/C=C(\CC)C[NH+]1CCN(c2cc(N)[nH+]c(N3CCCC3)n2)CC1 ZINC000065381979 462761036 /nfs/dbraw/zinc/76/10/36/462761036.db2.gz FEPYTGAFJQPEJP-CRKCGEKBSA-N 2 2 330.480 2.137 50 0 EEAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2sccc2N)CC1 ZINC000091306253 462871890 /nfs/dbraw/zinc/87/18/90/462871890.db2.gz RGNGACAZPMEVFG-UHFFFAOYSA-N 2 2 347.488 2.108 50 0 EEAALP O=C1O[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2N1CC[NH+]1CCCCC1 ZINC000055054226 463280359 /nfs/dbraw/zinc/28/03/59/463280359.db2.gz HNIOIYNBCPBAKU-ZWKOTPCHSA-N 2 2 347.434 2.317 50 0 EEAALP O=C1O[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2N1CC[NH+]1CCCCC1 ZINC000055054226 463280363 /nfs/dbraw/zinc/28/03/63/463280363.db2.gz HNIOIYNBCPBAKU-ZWKOTPCHSA-N 2 2 347.434 2.317 50 0 EEAALP Cc1ccc2[nH]c3c(c2c1)C[NH+](CC[C@@H]1C[N@@H+](C)CCN1C)CC3 ZINC000043005142 463612847 /nfs/dbraw/zinc/61/28/47/463612847.db2.gz GDLSKDBRHWNBHM-MRXNPFEDSA-N 2 2 326.488 2.470 50 0 EEAALP Cc1ccc2[nH]c3c(c2c1)C[NH+](CC[C@@H]1C[N@H+](C)CCN1C)CC3 ZINC000043005142 463612850 /nfs/dbraw/zinc/61/28/50/463612850.db2.gz GDLSKDBRHWNBHM-MRXNPFEDSA-N 2 2 326.488 2.470 50 0 EEAALP Cc1ccc2[nH]c3c(c2c1)C[N@H+](CC[C@@H]1C[NH+](C)CCN1C)CC3 ZINC000043005142 463612855 /nfs/dbraw/zinc/61/28/55/463612855.db2.gz GDLSKDBRHWNBHM-MRXNPFEDSA-N 2 2 326.488 2.470 50 0 EEAALP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CC[C@@H]1C[NH+](C)CCN1C)CC3 ZINC000043005142 463612857 /nfs/dbraw/zinc/61/28/57/463612857.db2.gz GDLSKDBRHWNBHM-MRXNPFEDSA-N 2 2 326.488 2.470 50 0 EEAALP C[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)(c2ccccc2)CC1 ZINC000222768177 464133627 /nfs/dbraw/zinc/13/36/27/464133627.db2.gz WAFWJRNEKZGVKB-UHFFFAOYSA-N 2 2 340.471 2.443 50 0 EEAALP CN(CCSc1ccccc1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000223528152 464143218 /nfs/dbraw/zinc/14/32/18/464143218.db2.gz AMZQDMSPGSRVTO-UHFFFAOYSA-N 2 2 329.473 2.492 50 0 EEAALP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nnc(N)s1 ZINC000584891749 468956396 /nfs/dbraw/zinc/95/63/96/468956396.db2.gz GPHGRJAJZSTFKM-CYBMUJFWSA-N 2 2 331.489 2.478 50 0 EEAALP Cc1cc(C)c(CNC(=O)N2CCC([NH+]3CCSCC3)CC2)c[nH+]1 ZINC000584890609 468956532 /nfs/dbraw/zinc/95/65/32/468956532.db2.gz UXAIPHKDELYBLT-UHFFFAOYSA-N 2 2 348.516 2.421 50 0 EEAALP COc1ccc(Oc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn2)cc1 ZINC000653122154 471498697 /nfs/dbraw/zinc/49/86/97/471498697.db2.gz OGAAZICWQPWKNS-MRXNPFEDSA-N 2 2 344.415 2.100 50 0 EEAALP CCc1[nH+]ccn1CCC(=O)N1CCC[N@H+](Cc2ccc(C)o2)CC1 ZINC001529120409 1121325445 /nfs/dbraw/zinc/32/54/45/1121325445.db2.gz ZHQXCLXOTAQDRG-UHFFFAOYSA-N 2 2 344.459 2.472 50 0 EEAALP CCc1[nH+]ccn1CCC(=O)N1CCC[N@@H+](Cc2ccc(C)o2)CC1 ZINC001529120409 1121325454 /nfs/dbraw/zinc/32/54/54/1121325454.db2.gz ZHQXCLXOTAQDRG-UHFFFAOYSA-N 2 2 344.459 2.472 50 0 EEAALP CCOc1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCCC3)C2)cc1CO ZINC000097743545 219053944 /nfs/dbraw/zinc/05/39/44/219053944.db2.gz LHBZWZDYBBYMTO-LJQANCHMSA-N 2 2 348.487 2.264 50 0 EEAALP CCOc1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCCC3)C2)cc1CO ZINC000097743545 219053946 /nfs/dbraw/zinc/05/39/46/219053946.db2.gz LHBZWZDYBBYMTO-LJQANCHMSA-N 2 2 348.487 2.264 50 0 EEAALP C[C@H]1CCCC[N@@H+]1C1CN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000067772829 215209118 /nfs/dbraw/zinc/20/91/18/215209118.db2.gz UECIVTPSIJEQGH-HNNXBMFYSA-N 2 2 326.444 2.352 50 0 EEAALP C[C@H]1CCCC[N@H+]1C1CN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000067772829 215209121 /nfs/dbraw/zinc/20/91/21/215209121.db2.gz UECIVTPSIJEQGH-HNNXBMFYSA-N 2 2 326.444 2.352 50 0 EEAALP CN(CCCc1[nH+]ccn1C)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000426535990 241306966 /nfs/dbraw/zinc/30/69/66/241306966.db2.gz YUVVVUSDQXXFDE-OAHLLOKOSA-N 2 2 346.479 2.306 50 0 EEAALP Nc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)nc[nH+]1 ZINC000091595495 218029124 /nfs/dbraw/zinc/02/91/24/218029124.db2.gz RZCDQRIZFWREAZ-HNNXBMFYSA-N 2 2 335.415 2.083 50 0 EEAALP Cc1ccc[nH+]c1NCCNC(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000091680359 218046447 /nfs/dbraw/zinc/04/64/47/218046447.db2.gz OXQKDPIHQHHQNE-INIZCTEOSA-N 2 2 330.407 2.360 50 0 EEAALP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)on1 ZINC000065449369 462772816 /nfs/dbraw/zinc/77/28/16/462772816.db2.gz UFOGVBMAHDDWST-CQSZACIVSA-N 2 2 329.404 2.059 50 0 EEAALP Cc1cc(NC(=O)C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)on1 ZINC000065449369 462772819 /nfs/dbraw/zinc/77/28/19/462772819.db2.gz UFOGVBMAHDDWST-CQSZACIVSA-N 2 2 329.404 2.059 50 0 EEAALP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)c(C)c1 ZINC000095506153 463097603 /nfs/dbraw/zinc/09/76/03/463097603.db2.gz CHENUODSTDQFHI-QGZVFWFLSA-N 2 2 326.444 2.365 50 0 EEAALP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)c(C)c1 ZINC000095506153 463097609 /nfs/dbraw/zinc/09/76/09/463097609.db2.gz CHENUODSTDQFHI-QGZVFWFLSA-N 2 2 326.444 2.365 50 0 EEAALP OC1(Cn2cc[nH+]c2)CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095527328 463104343 /nfs/dbraw/zinc/10/43/43/463104343.db2.gz UCLOCQWHCGVTNJ-QGZVFWFLSA-N 2 2 341.455 2.351 50 0 EEAALP Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@](O)(C[NH+](C)C)C3)c2)n1 ZINC000072407840 463509173 /nfs/dbraw/zinc/50/91/73/463509173.db2.gz OMAXFPXRQFKXQH-FQEVSTJZSA-N 2 2 342.487 2.378 50 0 EEAALP Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@](O)(C[NH+](C)C)C3)c2)n1 ZINC000072407840 463509176 /nfs/dbraw/zinc/50/91/76/463509176.db2.gz OMAXFPXRQFKXQH-FQEVSTJZSA-N 2 2 342.487 2.378 50 0 EEAALP CCc1c[nH+]c(C)nc1N1CC[N@H+](Cc2ccc(C)o2)[C@@H](CCO)C1 ZINC000107008999 463555401 /nfs/dbraw/zinc/55/54/01/463555401.db2.gz BWQMGKZGHNAFNM-KRWDZBQOSA-N 2 2 344.459 2.322 50 0 EEAALP CCc1c[nH+]c(C)nc1N1CC[N@@H+](Cc2ccc(C)o2)[C@@H](CCO)C1 ZINC000107008999 463555407 /nfs/dbraw/zinc/55/54/07/463555407.db2.gz BWQMGKZGHNAFNM-KRWDZBQOSA-N 2 2 344.459 2.322 50 0 EEAALP Nc1nc(NCc2nc3c(s2)CCCC3)cc(C2CC([NH3+])C2)[nH+]1 ZINC000220352474 464115558 /nfs/dbraw/zinc/11/55/58/464115558.db2.gz VJRCKWCVIXLVTK-UHFFFAOYSA-N 2 2 330.461 2.211 50 0 EEAALP Cc1ccc[nH+]c1NCCNC(=O)[C@H](c1ccccc1F)[NH+](C)C ZINC000220462611 464116161 /nfs/dbraw/zinc/11/61/61/464116161.db2.gz WLCMVHHLNQREIW-INIZCTEOSA-N 2 2 330.407 2.360 50 0 EEAALP COCCn1c(C[N@H+](C)Cc2sccc2C)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000240825172 464449355 /nfs/dbraw/zinc/44/93/55/464449355.db2.gz QNRYMXWFXGEMDJ-HDJSIYSDSA-N 2 2 349.504 2.131 50 0 EEAALP COCCn1c(C[N@@H+](C)Cc2sccc2C)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000240825172 464449359 /nfs/dbraw/zinc/44/93/59/464449359.db2.gz QNRYMXWFXGEMDJ-HDJSIYSDSA-N 2 2 349.504 2.131 50 0 EEAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cnn(C)c1C ZINC000252492051 464968441 /nfs/dbraw/zinc/96/84/41/464968441.db2.gz MBMXBFCATHWEMO-INIZCTEOSA-N 2 2 344.463 2.117 50 0 EEAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cnn(C)c1C ZINC000252492051 464968444 /nfs/dbraw/zinc/96/84/44/464968444.db2.gz MBMXBFCATHWEMO-INIZCTEOSA-N 2 2 344.463 2.117 50 0 EEAALP COc1ccc([C@@H]2NC(=[NH2+])NC(=[NH2+])N2c2ccc(Cl)cc2)cc1 ZINC000000046885 525266056 /nfs/dbraw/zinc/26/60/56/525266056.db2.gz TVBZVYXACAHJBC-CQSZACIVSA-N 2 2 329.791 2.497 50 0 EEAALP CCn1ccnc1C[N@H+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023581594 681753827 /nfs/dbraw/zinc/75/38/27/681753827.db2.gz SSQLQWMAZXBSFA-MOPGFXCFSA-N 2 2 340.471 2.072 50 0 EEAALP CCn1ccnc1C[N@@H+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023581594 681753832 /nfs/dbraw/zinc/75/38/32/681753832.db2.gz SSQLQWMAZXBSFA-MOPGFXCFSA-N 2 2 340.471 2.072 50 0 EEAALP Cn1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccsc4)CC3)C2)cn1 ZINC000825655294 800349984 /nfs/dbraw/zinc/34/99/84/800349984.db2.gz NBDSLFHNBYFHMW-UHFFFAOYSA-N 2 2 346.500 2.349 50 0 EEAALP Cn1cc(C[N@H+]2CCOC3(CC[NH+](Cc4ccsc4)CC3)C2)cn1 ZINC000825655294 800349990 /nfs/dbraw/zinc/34/99/90/800349990.db2.gz NBDSLFHNBYFHMW-UHFFFAOYSA-N 2 2 346.500 2.349 50 0 EEAALP CSCC1CC[NH+](Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)CC1 ZINC000244828544 243088529 /nfs/dbraw/zinc/08/85/29/243088529.db2.gz TYDNZPMLRYHVAJ-OKILXGFUSA-N 2 2 335.521 2.393 50 0 EEAALP Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)nc(N)[nH+]1 ZINC000091444626 218007239 /nfs/dbraw/zinc/00/72/39/218007239.db2.gz TXIZSBACDPVWNE-HNNXBMFYSA-N 2 2 349.442 2.391 50 0 EEAALP Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)o1 ZINC000095356355 218289809 /nfs/dbraw/zinc/28/98/09/218289809.db2.gz SUFDZRCYBDSWNL-HNNXBMFYSA-N 2 2 340.431 2.341 50 0 EEAALP Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)o1 ZINC000095356355 218289811 /nfs/dbraw/zinc/28/98/11/218289811.db2.gz SUFDZRCYBDSWNL-HNNXBMFYSA-N 2 2 340.431 2.341 50 0 EEAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)Nc2ccn(C)n2)C1 ZINC000095366095 218298771 /nfs/dbraw/zinc/29/87/71/218298771.db2.gz DQYGQWYJPZDNIP-CQSZACIVSA-N 2 2 330.436 2.016 50 0 EEAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccn(C)n2)C1 ZINC000095366095 218298773 /nfs/dbraw/zinc/29/87/73/218298773.db2.gz DQYGQWYJPZDNIP-CQSZACIVSA-N 2 2 330.436 2.016 50 0 EEAALP Cc1c(C)n(CCCO)c2nc[nH+]c(NCCCn3cc[nH+]c3)c12 ZINC000006660523 462694250 /nfs/dbraw/zinc/69/42/50/462694250.db2.gz JMVBUNLIRGTTRJ-UHFFFAOYSA-N 2 2 328.420 2.129 50 0 EEAALP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3ccc(C)c[nH+]3)C2)on1 ZINC000097200795 463346036 /nfs/dbraw/zinc/34/60/36/463346036.db2.gz BZDHZXJUGUZBAZ-GJZGRUSLSA-N 2 2 343.431 2.447 50 0 EEAALP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3ccc(C)c[nH+]3)C2)on1 ZINC000097200795 463346040 /nfs/dbraw/zinc/34/60/40/463346040.db2.gz BZDHZXJUGUZBAZ-GJZGRUSLSA-N 2 2 343.431 2.447 50 0 EEAALP CC(C)n1cc[nH+]c1CSc1nnc(CC2CC[NH2+]CC2)n1C ZINC000055211949 214289999 /nfs/dbraw/zinc/28/99/99/214289999.db2.gz LUJGSRHRHWCUJM-UHFFFAOYSA-N 2 2 334.493 2.427 50 0 EEAALP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](Nc1[nH+]c3ccccc3n1C)C2 ZINC000685941531 539989305 /nfs/dbraw/zinc/98/93/05/539989305.db2.gz YSAJZNNDPNNPLY-NWGLXNPWSA-N 2 2 328.460 2.465 50 0 EEAALP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](Nc1[nH+]c3ccccc3n1C)C2 ZINC000685941531 539989309 /nfs/dbraw/zinc/98/93/09/539989309.db2.gz YSAJZNNDPNNPLY-NWGLXNPWSA-N 2 2 328.460 2.465 50 0 EEAALP Cc1cc(CN2CC[NH+](C)CC2)c(C)c(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000215467673 241129870 /nfs/dbraw/zinc/12/98/70/241129870.db2.gz IMKOFFAFDUDTPH-OAQYLSRUSA-N 3 2 344.547 2.364 50 0 EEAALP Cc1cc(CN2CC[NH+](C)CC2)c(C)c(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000215467673 241129873 /nfs/dbraw/zinc/12/98/73/241129873.db2.gz IMKOFFAFDUDTPH-OAQYLSRUSA-N 3 2 344.547 2.364 50 0 EEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)C3(c4ccccc4)CC3)C2)CC1 ZINC000020541446 212145677 /nfs/dbraw/zinc/14/56/77/212145677.db2.gz GXVKKZJLIBCCCP-GOSISDBHSA-N 2 2 341.499 2.393 50 0 EEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)C3(c4ccccc4)CC3)C2)CC1 ZINC000020541446 212145679 /nfs/dbraw/zinc/14/56/79/212145679.db2.gz GXVKKZJLIBCCCP-GOSISDBHSA-N 2 2 341.499 2.393 50 0 EEAALP CC(C)c1ncc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000091468262 218011324 /nfs/dbraw/zinc/01/13/24/218011324.db2.gz XNVPYANSACANKQ-QZTJIDSGSA-N 2 2 332.492 2.126 50 0 EEAALP CC(C)c1ncc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000091468262 218011327 /nfs/dbraw/zinc/01/13/27/218011327.db2.gz XNVPYANSACANKQ-QZTJIDSGSA-N 2 2 332.492 2.126 50 0 EEAALP Nc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)nc[nH+]1 ZINC000095375219 218308275 /nfs/dbraw/zinc/30/82/75/218308275.db2.gz MFDVNSNGLJJWET-CQSZACIVSA-N 2 2 335.415 2.083 50 0 EEAALP C[NH+](C)CCOc1cccc(C[N@@H+]2CCN(C3CCCC3)C(=O)C2)c1 ZINC000097514460 219032090 /nfs/dbraw/zinc/03/20/90/219032090.db2.gz PCSMSTPEMOWTTN-UHFFFAOYSA-N 2 2 345.487 2.214 50 0 EEAALP C[NH+](C)CCOc1cccc(C[N@H+]2CCN(C3CCCC3)C(=O)C2)c1 ZINC000097514460 219032092 /nfs/dbraw/zinc/03/20/92/219032092.db2.gz PCSMSTPEMOWTTN-UHFFFAOYSA-N 2 2 345.487 2.214 50 0 EEAALP Cc1ccc([C@@H](C(=O)NCc2ccc[nH+]c2N(C)C)[NH+](C)C)cc1 ZINC000067458718 278841486 /nfs/dbraw/zinc/84/14/86/278841486.db2.gz ZAKHHVNLXJDKEH-KRWDZBQOSA-N 2 2 326.444 2.375 50 0 EEAALP CCc1cc(N2CCC([N@H+](C)Cc3ccon3)CC2)nc(N(C)C)[nH+]1 ZINC000095524989 463103428 /nfs/dbraw/zinc/10/34/28/463103428.db2.gz HLBRXFMFMOLEMX-UHFFFAOYSA-N 2 2 344.463 2.194 50 0 EEAALP CCc1cc(N2CCC([N@@H+](C)Cc3ccon3)CC2)nc(N(C)C)[nH+]1 ZINC000095524989 463103437 /nfs/dbraw/zinc/10/34/37/463103437.db2.gz HLBRXFMFMOLEMX-UHFFFAOYSA-N 2 2 344.463 2.194 50 0 EEAALP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1nnc(C2CC2)s1 ZINC000252482910 464962514 /nfs/dbraw/zinc/96/25/14/464962514.db2.gz DQCROOWQNDHZHL-LBPRGKRZSA-N 2 2 346.460 2.347 50 0 EEAALP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1nnc(C2CC2)s1 ZINC000252482910 464962517 /nfs/dbraw/zinc/96/25/17/464962517.db2.gz DQCROOWQNDHZHL-LBPRGKRZSA-N 2 2 346.460 2.347 50 0 EEAALP CN(CCc1ccccn1)c1[nH+]cccc1CNc1cc[nH+]c(N)n1 ZINC000067473339 215152275 /nfs/dbraw/zinc/15/22/75/215152275.db2.gz XPOULOFQFQVAJC-UHFFFAOYSA-N 2 2 335.415 2.140 50 0 EEAALP O=c1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)[nH]c2ccc(Cl)cc12 ZINC000253536023 244012319 /nfs/dbraw/zinc/01/23/19/244012319.db2.gz CYOVMKJLYRFGIE-OAHLLOKOSA-N 2 2 346.862 2.073 50 0 EEAALP CC1CC[NH+](Cc2ccc(C(=O)NCCc3[nH+]ccn3C)o2)CC1 ZINC000299790727 258096394 /nfs/dbraw/zinc/09/63/94/258096394.db2.gz CJDWDHGLOHNPQU-UHFFFAOYSA-N 2 2 330.432 2.218 50 0 EEAALP Cc1cc2cccc(C(=O)N3CC[N@@H+](C)C4(CC[NH2+]CC4)C3)c2o1 ZINC000097619583 292020744 /nfs/dbraw/zinc/02/07/44/292020744.db2.gz CUGFWWLYWKVYGD-UHFFFAOYSA-N 2 2 327.428 2.251 50 0 EEAALP Cc1cc2cccc(C(=O)N3CC[N@H+](C)C4(CC[NH2+]CC4)C3)c2o1 ZINC000097619583 292020747 /nfs/dbraw/zinc/02/07/47/292020747.db2.gz CUGFWWLYWKVYGD-UHFFFAOYSA-N 2 2 327.428 2.251 50 0 EEAALP c1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)nc1 ZINC000002212354 462591875 /nfs/dbraw/zinc/59/18/75/462591875.db2.gz GBKZMQUWDBSMEB-UHFFFAOYSA-N 2 2 337.427 2.376 50 0 EEAALP Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)nc12 ZINC000065473352 462777339 /nfs/dbraw/zinc/77/73/39/462777339.db2.gz GZFXPQSOKRYMSG-MRXNPFEDSA-N 2 2 349.438 2.332 50 0 EEAALP Cc1cccn2c(=O)cc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)nc12 ZINC000065473352 462777347 /nfs/dbraw/zinc/77/73/47/462777347.db2.gz GZFXPQSOKRYMSG-MRXNPFEDSA-N 2 2 349.438 2.332 50 0 EEAALP CC(C)n1cc(C(=O)N2CCC[N@H+](CCC[NH+]3CCCC3)CC2)cn1 ZINC000077487651 462993728 /nfs/dbraw/zinc/99/37/28/462993728.db2.gz FPDRWDRXIMQCAU-UHFFFAOYSA-N 2 2 347.507 2.098 50 0 EEAALP CC(C)n1cc(C(=O)N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)cn1 ZINC000077487651 462993731 /nfs/dbraw/zinc/99/37/31/462993731.db2.gz FPDRWDRXIMQCAU-UHFFFAOYSA-N 2 2 347.507 2.098 50 0 EEAALP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000019581904 463019391 /nfs/dbraw/zinc/01/93/91/463019391.db2.gz DVNGPQFPROGEMY-SJORKVTESA-N 2 2 330.476 2.241 50 0 EEAALP O=C1OC2(CN1Cc1c[nH+]cn1Cc1ccccc1)CC[NH2+]CC2 ZINC000095526289 463103591 /nfs/dbraw/zinc/10/35/91/463103591.db2.gz LHZXQDOWHIYONA-UHFFFAOYSA-N 2 2 326.400 2.006 50 0 EEAALP COc1cc(N(C)CC2CC[NH+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000719858864 1277778259 /nfs/dbraw/zinc/77/82/59/1277778259.db2.gz HGWOLWRSFNGBIN-UHFFFAOYSA-N 2 2 341.459 2.416 50 0 EEAALP C[NH2+]C(C)(C)C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000067654537 215175721 /nfs/dbraw/zinc/17/57/21/215175721.db2.gz SITNLULCRCXCMK-UHFFFAOYSA-N 2 2 326.444 2.332 50 0 EEAALP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](Nc1[nH+]c3ccccc3n1C)C2 ZINC000685941529 539989361 /nfs/dbraw/zinc/98/93/61/539989361.db2.gz YSAJZNNDPNNPLY-MYZZLAAOSA-N 2 2 328.460 2.465 50 0 EEAALP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](Nc1[nH+]c3ccccc3n1C)C2 ZINC000685941529 539989365 /nfs/dbraw/zinc/98/93/65/539989365.db2.gz YSAJZNNDPNNPLY-MYZZLAAOSA-N 2 2 328.460 2.465 50 0 EEAALP Cc1cccc(CCNc2nc(NC3CC3)nc3c2CC[NH2+]CC3)[nH+]1 ZINC000072430885 216224159 /nfs/dbraw/zinc/22/41/59/216224159.db2.gz ZEMCBYIQSDUFQH-UHFFFAOYSA-N 2 2 338.459 2.097 50 0 EEAALP Cc1[nH+]c[nH]c1C[N@@H+]1CCc2ncnc(NCc3cccnc3)c2CC1 ZINC000072475823 216252649 /nfs/dbraw/zinc/25/26/49/216252649.db2.gz VVWXMJXXIFCCCX-UHFFFAOYSA-N 2 2 349.442 2.116 50 0 EEAALP Cc1[nH+]c[nH]c1C[N@H+]1CCc2ncnc(NCc3cccnc3)c2CC1 ZINC000072475823 216252652 /nfs/dbraw/zinc/25/26/52/216252652.db2.gz VVWXMJXXIFCCCX-UHFFFAOYSA-N 2 2 349.442 2.116 50 0 EEAALP c1[nH]c(C[N@@H+]2CCc3ncnc(NCCc4ccccc4)c3CC2)c[nH+]1 ZINC000072481145 216261197 /nfs/dbraw/zinc/26/11/97/216261197.db2.gz KEKRXYSGGKRTDF-UHFFFAOYSA-N 2 2 348.454 2.455 50 0 EEAALP c1[nH]c(C[N@H+]2CCc3ncnc(NCCc4ccccc4)c3CC2)c[nH+]1 ZINC000072481145 216261201 /nfs/dbraw/zinc/26/12/01/216261201.db2.gz KEKRXYSGGKRTDF-UHFFFAOYSA-N 2 2 348.454 2.455 50 0 EEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)C3(c4ccccc4)CC3)C2)CC1 ZINC000020541448 212145429 /nfs/dbraw/zinc/14/54/29/212145429.db2.gz GXVKKZJLIBCCCP-SFHVURJKSA-N 2 2 341.499 2.393 50 0 EEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)C3(c4ccccc4)CC3)C2)CC1 ZINC000020541448 212145432 /nfs/dbraw/zinc/14/54/32/212145432.db2.gz GXVKKZJLIBCCCP-SFHVURJKSA-N 2 2 341.499 2.393 50 0 EEAALP CCO[C@H]1C[N@H+](C)C[C@@H]1Nc1cc(C)[nH+]c(Nc2cccc(O)c2)n1 ZINC000095374554 218308001 /nfs/dbraw/zinc/30/80/01/218308001.db2.gz KIOSYFZCGLOXEL-HOTGVXAUSA-N 2 2 343.431 2.365 50 0 EEAALP CCO[C@H]1C[N@@H+](C)C[C@@H]1Nc1cc(C)[nH+]c(Nc2cccc(O)c2)n1 ZINC000095374554 218308002 /nfs/dbraw/zinc/30/80/02/218308002.db2.gz KIOSYFZCGLOXEL-HOTGVXAUSA-N 2 2 343.431 2.365 50 0 EEAALP CCOC(=O)c1cccc(NC2=[NH+]C3(CCCCC3)NC(=[NH2+])N2)c1 ZINC000000203765 462547354 /nfs/dbraw/zinc/54/73/54/462547354.db2.gz IQDAWMWSGXPSNV-UHFFFAOYSA-N 2 2 329.404 2.210 50 0 EEAALP CCc1c[nH+]c(C)nc1N1CC[N@H+](Cc2ccco2)[C@H](CCO)C1 ZINC000065430772 462770234 /nfs/dbraw/zinc/77/02/34/462770234.db2.gz RPUOCYBYKLPYAS-MRXNPFEDSA-N 2 2 330.432 2.014 50 0 EEAALP CCc1c[nH+]c(C)nc1N1CC[N@@H+](Cc2ccco2)[C@H](CCO)C1 ZINC000065430772 462770238 /nfs/dbraw/zinc/77/02/38/462770238.db2.gz RPUOCYBYKLPYAS-MRXNPFEDSA-N 2 2 330.432 2.014 50 0 EEAALP O[C@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2cnc(-c3ccco3)nc2)C1 ZINC000077470712 462990354 /nfs/dbraw/zinc/99/03/54/462990354.db2.gz REYJEALZIRQEDI-IBGZPJMESA-N 2 2 342.443 2.159 50 0 EEAALP O[C@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2cnc(-c3ccco3)nc2)C1 ZINC000077470712 462990355 /nfs/dbraw/zinc/99/03/55/462990355.db2.gz REYJEALZIRQEDI-IBGZPJMESA-N 2 2 342.443 2.159 50 0 EEAALP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000067894578 463063805 /nfs/dbraw/zinc/06/38/05/463063805.db2.gz MZQPZUCBRFIZDB-GOSISDBHSA-N 2 2 338.455 2.244 50 0 EEAALP CCCc1cncnc1N1CCC([NH2+][C@H]2C[NH+]3CCC2CC3)CC1 ZINC000095522309 463102493 /nfs/dbraw/zinc/10/24/93/463102493.db2.gz OTQZGUDTTDPDCA-SFHVURJKSA-N 2 2 329.492 2.082 50 0 EEAALP OC[C@H]1CCC[N@H+](CC[NH2+]C2CCN(c3ccc(F)cc3)CC2)C1 ZINC000584892555 468957930 /nfs/dbraw/zinc/95/79/30/468957930.db2.gz BOPIFMNNFIIUTA-INIZCTEOSA-N 2 2 335.467 2.088 50 0 EEAALP OC[C@H]1CCC[N@@H+](CC[NH2+]C2CCN(c3ccc(F)cc3)CC2)C1 ZINC000584892555 468957932 /nfs/dbraw/zinc/95/79/32/468957932.db2.gz BOPIFMNNFIIUTA-INIZCTEOSA-N 2 2 335.467 2.088 50 0 EEAALP CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000067472912 215150402 /nfs/dbraw/zinc/15/04/02/215150402.db2.gz JUQHHOSHCJHQFJ-SFHVURJKSA-N 2 2 338.455 2.476 50 0 EEAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cc(C)no2)CC1 ZINC000096141896 237057780 /nfs/dbraw/zinc/05/77/80/237057780.db2.gz AUXIIOVHEGCRLD-UHFFFAOYSA-N 2 2 332.452 2.036 50 0 EEAALP c1c[nH+]c(C2CCN(c3ccc(C[NH+]4CCOCC4)cn3)CC2)[nH]1 ZINC000072407178 216198145 /nfs/dbraw/zinc/19/81/45/216198145.db2.gz ZPUIBTGRMWGCSF-UHFFFAOYSA-N 2 2 327.432 2.021 50 0 EEAALP CCOc1ccc([C@@H](C)Nc2nc(N)[nH+]c3c2CC[NH2+]CC3)cc1F ZINC000072407400 216198310 /nfs/dbraw/zinc/19/83/10/216198310.db2.gz XJRXLYBQOZXYSG-LLVKDONJSA-N 2 2 345.422 2.458 50 0 EEAALP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072436454 216231123 /nfs/dbraw/zinc/23/11/23/216231123.db2.gz RFEFCPHSKRPXTH-HNNXBMFYSA-N 2 2 332.366 2.474 50 0 EEAALP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072436454 216231124 /nfs/dbraw/zinc/23/11/24/216231124.db2.gz RFEFCPHSKRPXTH-HNNXBMFYSA-N 2 2 332.366 2.474 50 0 EEAALP Cc1ccc(NCCCNC(=O)C[N@@H+]2CCc3ccccc3C2)[nH+]c1 ZINC000219272650 241373480 /nfs/dbraw/zinc/37/34/80/241373480.db2.gz FFAGFXDKMFAAKZ-UHFFFAOYSA-N 2 2 338.455 2.367 50 0 EEAALP Cc1ccc(NCCCNC(=O)C[N@H+]2CCc3ccccc3C2)[nH+]c1 ZINC000219272650 241373485 /nfs/dbraw/zinc/37/34/85/241373485.db2.gz FFAGFXDKMFAAKZ-UHFFFAOYSA-N 2 2 338.455 2.367 50 0 EEAALP CC[C@H]([NH2+]Cc1cccc(OC)c1OCC[NH+](C)C)c1ncnn1C ZINC000065373800 462760219 /nfs/dbraw/zinc/76/02/19/462760219.db2.gz LYJCKYRWVUHPGH-HNNXBMFYSA-N 2 2 347.463 2.005 50 0 EEAALP Cc1cccn2c(CC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)C)c[nH+]c12 ZINC000065406516 462766678 /nfs/dbraw/zinc/76/66/78/462766678.db2.gz IWFQJDCJPDQHEZ-INIZCTEOSA-N 2 2 325.416 2.223 50 0 EEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)CCc3ccccc3F)C2)CC1 ZINC000012587948 462858215 /nfs/dbraw/zinc/85/82/15/462858215.db2.gz FDLZXDFVJXWCBU-KRWDZBQOSA-N 2 2 347.478 2.433 50 0 EEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)CCc3ccccc3F)C2)CC1 ZINC000012587948 462858220 /nfs/dbraw/zinc/85/82/20/462858220.db2.gz FDLZXDFVJXWCBU-KRWDZBQOSA-N 2 2 347.478 2.433 50 0 EEAALP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CCN(c4ncccn4)CC3)C2)cc1 ZINC000095515179 463100973 /nfs/dbraw/zinc/10/09/73/463100973.db2.gz VOAFOTKXUUCABM-LJQANCHMSA-N 2 2 337.471 2.310 50 0 EEAALP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCN(c4ncccn4)CC3)C2)cc1 ZINC000095515179 463100978 /nfs/dbraw/zinc/10/09/78/463100978.db2.gz VOAFOTKXUUCABM-LJQANCHMSA-N 2 2 337.471 2.310 50 0 EEAALP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200562 463345714 /nfs/dbraw/zinc/34/57/14/463345714.db2.gz HVLUOIKFCLSTED-DLBZAZTESA-N 2 2 330.476 2.462 50 0 EEAALP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200562 463345715 /nfs/dbraw/zinc/34/57/15/463345715.db2.gz HVLUOIKFCLSTED-DLBZAZTESA-N 2 2 330.476 2.462 50 0 EEAALP Cc1nc[nH]c1C[NH+]1CCC(c2nnc(C[NH+](C)C)n2C2CC2)CC1 ZINC000082139223 463518842 /nfs/dbraw/zinc/51/88/42/463518842.db2.gz JBVZXNSKZGSYNN-UHFFFAOYSA-N 2 2 343.479 2.086 50 0 EEAALP C[N@H+](CC(=O)N1CCCC[C@H]1CCn1cc[nH+]c1)Cc1ccncc1 ZINC000220350414 464115656 /nfs/dbraw/zinc/11/56/56/464115656.db2.gz RGIWPJVQYHALFM-SFHVURJKSA-N 2 2 341.459 2.181 50 0 EEAALP C[N@@H+](CC(=O)N1CCCC[C@H]1CCn1cc[nH+]c1)Cc1ccncc1 ZINC000220350414 464115663 /nfs/dbraw/zinc/11/56/63/464115663.db2.gz RGIWPJVQYHALFM-SFHVURJKSA-N 2 2 341.459 2.181 50 0 EEAALP CCc1[nH+]ccn1CCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000823557244 798747330 /nfs/dbraw/zinc/74/73/30/798747330.db2.gz ICSKAPCWGBKKEB-UHFFFAOYSA-N 2 2 340.471 2.223 50 0 EEAALP CCc1oc(C(=O)N(C)CCn2cc[nH+]c2)cc1C[NH+]1CCCC1 ZINC000055325506 214307503 /nfs/dbraw/zinc/30/75/03/214307503.db2.gz PZSYQHIDJZATPL-UHFFFAOYSA-N 2 2 330.432 2.407 50 0 EEAALP COc1ccc(OC)c(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])C3)c(C)o2)c1 ZINC000067818045 215220163 /nfs/dbraw/zinc/22/01/63/215220163.db2.gz IAKMKSOJRMIERR-ZDUSSCGKSA-N 2 2 331.416 2.448 50 0 EEAALP Cc1noc([C@]23CN(c4cc[nH+]cc4Cl)C[C@H]2C[N@H+](C)CC3)n1 ZINC000685940863 539989883 /nfs/dbraw/zinc/98/98/83/539989883.db2.gz XVGDDJDPFDXZHK-MLGOLLRUSA-N 2 2 333.823 2.136 50 0 EEAALP Cc1noc([C@]23CN(c4cc[nH+]cc4Cl)C[C@H]2C[N@@H+](C)CC3)n1 ZINC000685940863 539989885 /nfs/dbraw/zinc/98/98/85/539989885.db2.gz XVGDDJDPFDXZHK-MLGOLLRUSA-N 2 2 333.823 2.136 50 0 EEAALP CC(C)[C@H](NC(=O)C1([NH+](C)C)Cc2ccccc2C1)c1[nH+]ccn1C ZINC000072153325 216042486 /nfs/dbraw/zinc/04/24/86/216042486.db2.gz YPLYBKLRHKBBIE-KRWDZBQOSA-N 2 2 340.471 2.333 50 0 EEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc(C)cc2)[nH+]cn1 ZINC000072434178 216229127 /nfs/dbraw/zinc/22/91/27/216229127.db2.gz NNDQYOJJCJLGAK-UHFFFAOYSA-N 2 2 336.399 2.121 50 0 EEAALP C[C@H](NC(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000244712718 243064071 /nfs/dbraw/zinc/06/40/71/243064071.db2.gz KVHQAIXSWXKHEY-KRWDZBQOSA-N 2 2 345.487 2.051 50 0 EEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)CSc3ccccc3)C2)CC1 ZINC000019335423 212018359 /nfs/dbraw/zinc/01/83/59/212018359.db2.gz MBNDQRDEYGVZPV-MRXNPFEDSA-N 2 2 347.528 2.454 50 0 EEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)CSc3ccccc3)C2)CC1 ZINC000019335423 212018361 /nfs/dbraw/zinc/01/83/61/212018361.db2.gz MBNDQRDEYGVZPV-MRXNPFEDSA-N 2 2 347.528 2.454 50 0 EEAALP Cc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000091643530 218036772 /nfs/dbraw/zinc/03/67/72/218036772.db2.gz XWGAWKYMQPYOLF-YALNPMBYSA-N 2 2 338.517 2.206 50 0 EEAALP Cc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000091643530 218036775 /nfs/dbraw/zinc/03/67/75/218036775.db2.gz XWGAWKYMQPYOLF-YALNPMBYSA-N 2 2 338.517 2.206 50 0 EEAALP Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000091643530 218036778 /nfs/dbraw/zinc/03/67/78/218036778.db2.gz XWGAWKYMQPYOLF-YALNPMBYSA-N 2 2 338.517 2.206 50 0 EEAALP Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000091643530 218036780 /nfs/dbraw/zinc/03/67/80/218036780.db2.gz XWGAWKYMQPYOLF-YALNPMBYSA-N 2 2 338.517 2.206 50 0 EEAALP Cc1c[nH+]c(N)nc1N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000091876454 218082004 /nfs/dbraw/zinc/08/20/04/218082004.db2.gz OBIRQUUXGNKSAU-UHFFFAOYSA-N 2 2 345.422 2.097 50 0 EEAALP Nc1cc(N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)nc(N)[nH+]1 ZINC000095354683 218288798 /nfs/dbraw/zinc/28/87/98/218288798.db2.gz FMINVZZLLPTVMM-CYBMUJFWSA-N 2 2 327.436 2.022 50 0 EEAALP Nc1cc(N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)[nH+]c(N)n1 ZINC000095354683 218288800 /nfs/dbraw/zinc/28/88/00/218288800.db2.gz FMINVZZLLPTVMM-CYBMUJFWSA-N 2 2 327.436 2.022 50 0 EEAALP [NH2+]=c1n(CC[NH+]2CCCC2)c2ccccc2n1C[C@H](O)c1ccco1 ZINC000000241412 462549848 /nfs/dbraw/zinc/54/98/48/462549848.db2.gz MYLIWBUGKQFXNB-KRWDZBQOSA-N 2 2 340.427 2.345 50 0 EEAALP Cc1ccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)c3nccs3)C2)[nH+]c1 ZINC000097200516 463346225 /nfs/dbraw/zinc/34/62/25/463346225.db2.gz GHKWRBSIEZCURC-CQSZACIVSA-N 2 2 345.472 2.243 50 0 EEAALP Cc1ccc(NC[C@H]2CC[N@H+](CC(=O)N(C)c3nccs3)C2)[nH+]c1 ZINC000097200516 463346229 /nfs/dbraw/zinc/34/62/29/463346229.db2.gz GHKWRBSIEZCURC-CQSZACIVSA-N 2 2 345.472 2.243 50 0 EEAALP CCN(C)c1cc(N2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)nc[nH+]1 ZINC000106987948 463555049 /nfs/dbraw/zinc/55/50/49/463555049.db2.gz PJEITGBLVISVPJ-KRWDZBQOSA-N 2 2 347.507 2.138 50 0 EEAALP CCN(C)c1cc(N2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)nc[nH+]1 ZINC000106987948 463555050 /nfs/dbraw/zinc/55/50/50/463555050.db2.gz PJEITGBLVISVPJ-KRWDZBQOSA-N 2 2 347.507 2.138 50 0 EEAALP Cc1nc(NCC[N@@H+](C)CCc2ccccc2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426502888 467143218 /nfs/dbraw/zinc/14/32/18/467143218.db2.gz KSCFSNVAGKUQQY-GOSISDBHSA-N 2 2 340.471 2.875 50 0 EEAALP Cc1nc(NCC[N@H+](C)CCc2ccccc2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426502888 467143219 /nfs/dbraw/zinc/14/32/19/467143219.db2.gz KSCFSNVAGKUQQY-GOSISDBHSA-N 2 2 340.471 2.875 50 0 EEAALP Nc1nc(NCCc2nc3ccccc3s2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072407905 216199745 /nfs/dbraw/zinc/19/97/45/216199745.db2.gz STLLMENJQXHVJU-UHFFFAOYSA-N 2 2 340.456 2.011 50 0 EEAALP CC1(C)Cc2cc(CNc3nc(N)[nH+]c4c3CC[NH2+]CC4)ccc2O1 ZINC000072418367 216206832 /nfs/dbraw/zinc/20/68/32/216206832.db2.gz QVQCDVQUYOEOPC-UHFFFAOYSA-N 2 2 339.443 2.073 50 0 EEAALP Cc1[nH]c2ccccc2c1CCNc1nc(N)[nH+]c2c1CC[NH2+]CC2 ZINC000072448129 216237540 /nfs/dbraw/zinc/23/75/40/216237540.db2.gz UIBPBHBNFDIACL-UHFFFAOYSA-N 2 2 336.443 2.191 50 0 EEAALP C[C@H]1C[NH+](C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C[C@H](C)O1 ZINC000019885240 212080205 /nfs/dbraw/zinc/08/02/05/212080205.db2.gz QSVVRKSMZYXKLO-GJZGRUSLSA-N 2 2 332.444 2.489 50 0 EEAALP FC(F)(F)Oc1ccccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000097294822 219010042 /nfs/dbraw/zinc/01/00/42/219010042.db2.gz XXBCVWPSFMNSNI-AWEZNQCLSA-N 2 2 329.366 2.065 50 0 EEAALP Cc1cccn2c(CC(=O)N[C@H](Cn3cc[nH+]c3)C(C)C)c[nH+]c12 ZINC000065406517 462766414 /nfs/dbraw/zinc/76/64/14/462766414.db2.gz IWFQJDCJPDQHEZ-MRXNPFEDSA-N 2 2 325.416 2.223 50 0 EEAALP CNc1nc(N2CC[NH+](CCc3ccccc3)CC2)[nH+]c2c1CCC2 ZINC000067740933 463045337 /nfs/dbraw/zinc/04/53/37/463045337.db2.gz DDENKGYOWOACOR-UHFFFAOYSA-N 2 2 337.471 2.372 50 0 EEAALP Cn1cc([C@@H]([NH2+]C2CC[NH+](Cc3ccco3)CC2)[C@H]2C[C@H](O)C2)cn1 ZINC000220167100 464115925 /nfs/dbraw/zinc/11/59/25/464115925.db2.gz BZBRNJOBUJCTMD-YJLNNSPDSA-N 2 2 344.459 2.079 50 0 EEAALP CCc1ccccc1OCCN(C)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000223034037 464135776 /nfs/dbraw/zinc/13/57/76/464135776.db2.gz JOVRJQLVXAPHOK-UHFFFAOYSA-N 2 2 341.459 2.341 50 0 EEAALP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nnc(N)s1 ZINC000584891750 468956682 /nfs/dbraw/zinc/95/66/82/468956682.db2.gz GPHGRJAJZSTFKM-ZDUSSCGKSA-N 2 2 331.489 2.478 50 0 EEAALP C[NH+]1CCC([NH+]2CCN(C(=O)NCCCc3ccccc3)CC2)CC1 ZINC000426538307 536339593 /nfs/dbraw/zinc/33/95/93/536339593.db2.gz FQMMAEZTQAGORP-UHFFFAOYSA-N 2 2 344.503 2.041 50 0 EEAALP 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EEAALP OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccc4ccccc4c3)C[C@H]2O)CC1 ZINC000042437824 463563760 /nfs/dbraw/zinc/56/37/60/463563760.db2.gz PHOAJZWSNQBEPX-NHCUHLMSSA-N 2 2 340.467 2.232 50 0 EEAALP O=C(CCn1cccc1)NCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000021016638 202060928 /nfs/dbraw/zinc/06/09/28/202060928.db2.gz CORQFUPWMNLWAU-UHFFFAOYSA-N 2 2 346.519 2.335 50 0 EEAALP Cc1cccc(SC2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)c1 ZINC000077487883 203391124 /nfs/dbraw/zinc/39/11/24/203391124.db2.gz YLKACNWAFPQMQT-KRWDZBQOSA-N 2 2 344.484 2.371 50 0 EEAALP CCCCC[NH+]1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1 ZINC000077535074 203393854 /nfs/dbraw/zinc/39/38/54/203393854.db2.gz OTSJFXNIUJTSMY-UHFFFAOYSA-N 2 2 349.523 2.141 50 0 EEAALP Cc1[nH+]c[nH]c1CSCC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082097493 203494951 /nfs/dbraw/zinc/49/49/51/203494951.db2.gz CEGNGGFZHHUILN-AWEZNQCLSA-N 2 2 325.478 2.269 50 0 EEAALP C[NH+](C)[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)c1ccccc1F ZINC000095352756 289344508 /nfs/dbraw/zinc/34/45/08/289344508.db2.gz QQHJNMHPLWNVJG-KRWDZBQOSA-N 2 2 333.451 2.373 50 0 EEAALP Cc1cccn2c(CNC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)c[nH+]c12 ZINC000534647286 468269765 /nfs/dbraw/zinc/26/97/65/468269765.db2.gz OLSBZDGQVWWZIG-MRXNPFEDSA-N 2 2 341.459 2.413 50 0 EEAALP CCn1c[nH+]cc1CNc1nc(-c2ccncc2)nc2c1CC[NH2+]C2 ZINC000067514154 463013658 /nfs/dbraw/zinc/01/36/58/463013658.db2.gz LKRRUGXHXUHKDT-UHFFFAOYSA-N 2 2 335.415 2.013 50 0 EEAALP Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)C(=O)NCCC[N@H+]3C)o1 ZINC000067675767 463034280 /nfs/dbraw/zinc/03/42/80/463034280.db2.gz ZYNHHTTUEGZBPA-HNNXBMFYSA-N 2 2 333.476 2.368 50 0 EEAALP Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)C(=O)NCCC[N@@H+]3C)o1 ZINC000067675767 463034286 /nfs/dbraw/zinc/03/42/86/463034286.db2.gz ZYNHHTTUEGZBPA-HNNXBMFYSA-N 2 2 333.476 2.368 50 0 EEAALP c1c(C[NH+]2CCCC2)nnn1CC1CCN(c2cccc[nH+]2)CC1 ZINC000023399817 463065940 /nfs/dbraw/zinc/06/59/40/463065940.db2.gz JIHSPMGXWDFRRL-UHFFFAOYSA-N 2 2 326.448 2.186 50 0 EEAALP CCOC(=O)/C=C/c1ccc([C@@H]2CCC[N@@H+]2CC[NH2+]CCCO)cc1 ZINC000097463410 463358515 /nfs/dbraw/zinc/35/85/15/463358515.db2.gz RKIWWOGYBPTDRO-BLRBJFNZSA-N 2 2 346.471 2.372 50 0 EEAALP CCOC(=O)/C=C/c1ccc([C@@H]2CCC[N@H+]2CC[NH2+]CCCO)cc1 ZINC000097463410 463358519 /nfs/dbraw/zinc/35/85/19/463358519.db2.gz RKIWWOGYBPTDRO-BLRBJFNZSA-N 2 2 346.471 2.372 50 0 EEAALP C[N@H+](Cc1cc2n(n1)CCC[NH+](C)C2)Cc1ccc2nccnc2c1 ZINC000072161848 203177263 /nfs/dbraw/zinc/17/72/63/203177263.db2.gz BDYUPINCBPMPGE-UHFFFAOYSA-N 2 2 336.443 2.294 50 0 EEAALP C[N@@H+](Cc1cc2n(n1)CCC[NH+](C)C2)Cc1ccc2nccnc2c1 ZINC000072161848 203177267 /nfs/dbraw/zinc/17/72/67/203177267.db2.gz BDYUPINCBPMPGE-UHFFFAOYSA-N 2 2 336.443 2.294 50 0 EEAALP C[NH+](Cc1cc2n(n1)CCC[N@H+](C)C2)Cc1ccc2nccnc2c1 ZINC000072161848 203177270 /nfs/dbraw/zinc/17/72/70/203177270.db2.gz BDYUPINCBPMPGE-UHFFFAOYSA-N 2 2 336.443 2.294 50 0 EEAALP C[NH+](Cc1cc2n(n1)CCC[N@@H+](C)C2)Cc1ccc2nccnc2c1 ZINC000072161848 203177273 /nfs/dbraw/zinc/17/72/73/203177273.db2.gz BDYUPINCBPMPGE-UHFFFAOYSA-N 2 2 336.443 2.294 50 0 EEAALP CCc1[nH+]c(C)ccc1OCC(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(C)o2)C1 ZINC000091452682 218009342 /nfs/dbraw/zinc/00/93/42/218009342.db2.gz LUONQYDNZQRFLC-GJZGRUSLSA-N 2 2 343.427 2.186 50 0 EEAALP O=C([C@H]1CCC[NH2+]CC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000299795071 258099800 /nfs/dbraw/zinc/09/98/00/258099800.db2.gz KGTNWDQSZIPVER-INIZCTEOSA-N 2 2 335.879 2.374 50 0 EEAALP Nc1cc[nH+]c(N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)n1 ZINC000091894288 462912192 /nfs/dbraw/zinc/91/21/92/462912192.db2.gz NFCDMFUWWNCAHG-UHFFFAOYSA-N 2 2 335.415 2.083 50 0 EEAALP COc1ccc(OC)c(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])C3)c(C)o2)c1 ZINC000067818042 463054181 /nfs/dbraw/zinc/05/41/81/463054181.db2.gz IAKMKSOJRMIERR-CYBMUJFWSA-N 2 2 331.416 2.448 50 0 EEAALP COc1ccc(OC)c(-c2nc(C[N@H+]3CC[C@H](C[NH3+])C3)c(C)o2)c1 ZINC000067818042 463054187 /nfs/dbraw/zinc/05/41/87/463054187.db2.gz IAKMKSOJRMIERR-CYBMUJFWSA-N 2 2 331.416 2.448 50 0 EEAALP COc1ccc(Oc2cccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)c2)cc1 ZINC000082147687 463520322 /nfs/dbraw/zinc/52/03/22/463520322.db2.gz GPMACNPNVAYMRI-RTBURBONSA-N 2 2 328.412 2.381 50 0 EEAALP COc1ccc(Oc2cccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)c2)cc1 ZINC000082147687 463520329 /nfs/dbraw/zinc/52/03/29/463520329.db2.gz GPMACNPNVAYMRI-RTBURBONSA-N 2 2 328.412 2.381 50 0 EEAALP Nc1nc(NCc2cccc(-n3cccn3)c2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223053772 464135861 /nfs/dbraw/zinc/13/58/61/464135861.db2.gz YFHWABONHZJXNN-UHFFFAOYSA-N 2 2 335.415 2.061 50 0 EEAALP O=C1CCCN1CC[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000240662534 464448140 /nfs/dbraw/zinc/44/81/40/464448140.db2.gz PLYATKNZOXZMLE-OAHLLOKOSA-N 2 2 326.444 2.440 50 0 EEAALP O=C1CCCN1CC[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000240662534 464448144 /nfs/dbraw/zinc/44/81/44/464448144.db2.gz PLYATKNZOXZMLE-OAHLLOKOSA-N 2 2 326.444 2.440 50 0 EEAALP C[C@@H]1C[NH+](C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C[C@@H](C)O1 ZINC000019885236 202025574 /nfs/dbraw/zinc/02/55/74/202025574.db2.gz QSVVRKSMZYXKLO-HUUCEWRRSA-N 2 2 332.444 2.489 50 0 EEAALP CC1CC[NH+](CCCNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000030516783 202196379 /nfs/dbraw/zinc/19/63/79/202196379.db2.gz PTLVKTOUKVDGBP-UHFFFAOYSA-N 2 2 327.432 2.119 50 0 EEAALP COC(=O)CC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+]1CCOCC1 ZINC000034925612 202281068 /nfs/dbraw/zinc/28/10/68/202281068.db2.gz PVAKTNBEGPNQNZ-MOPGFXCFSA-N 2 2 346.471 2.163 50 0 EEAALP COC(=O)CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+]1CCOCC1 ZINC000034925612 202281070 /nfs/dbraw/zinc/28/10/70/202281070.db2.gz PVAKTNBEGPNQNZ-MOPGFXCFSA-N 2 2 346.471 2.163 50 0 EEAALP CN(CCCOc1ccccc1F)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244685641 243058182 /nfs/dbraw/zinc/05/81/82/243058182.db2.gz ITUQVOJBDGUIOO-BETUJISGSA-N 2 2 345.422 2.308 50 0 EEAALP CNc1nc(NCCNc2[nH+]cccc2C)cc([C@@H]2CCOC2)[nH+]1 ZINC000299769273 258083238 /nfs/dbraw/zinc/08/32/38/258083238.db2.gz VYPQGLBOVDYCHP-CYBMUJFWSA-N 2 2 328.420 2.250 50 0 EEAALP c1ccc(C[NH+]2CCC([NH+]3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000000757696 462573601 /nfs/dbraw/zinc/57/36/01/462573601.db2.gz QJRYFNXJOMEAMT-UHFFFAOYSA-N 2 2 337.471 2.263 50 0 EEAALP C[C@H](C[NH+](C)C)N1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000063856823 462678295 /nfs/dbraw/zinc/67/82/95/462678295.db2.gz ZXPWCWHIXPBMIL-QGZVFWFLSA-N 2 2 348.539 2.241 50 0 EEAALP C[C@H](CN(C)C)[NH+]1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000063856823 462678303 /nfs/dbraw/zinc/67/83/03/462678303.db2.gz ZXPWCWHIXPBMIL-QGZVFWFLSA-N 2 2 348.539 2.241 50 0 EEAALP C[C@@H](c1ccc(-c2cc(NCCO)nc(N)[nH+]2)cc1)[NH+]1CCCC1 ZINC000067655028 463031953 /nfs/dbraw/zinc/03/19/53/463031953.db2.gz UVKWGQPLRGRXNH-ZDUSSCGKSA-N 2 2 327.432 2.287 50 0 EEAALP CN(Cc1ccccc1C[NH+]1CCCC1)c1nnc(C[NH+](C)C)o1 ZINC001772708035 1179295603 /nfs/dbraw/zinc/29/56/03/1179295603.db2.gz CDTAMJRGPLNHKW-UHFFFAOYSA-N 2 2 329.448 2.363 50 0 EEAALP CC(C)(C)c1ccc(C(=O)CCC[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc1 ZINC001772710751 1179301919 /nfs/dbraw/zinc/30/19/19/1179301919.db2.gz OOCFMJYZZHLGPI-NQIIRXRSSA-N 2 2 344.499 2.461 50 0 EEAALP CC(C)(C)c1ccc(C(=O)CCC[N@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc1 ZINC001772710751 1179301925 /nfs/dbraw/zinc/30/19/25/1179301925.db2.gz OOCFMJYZZHLGPI-NQIIRXRSSA-N 2 2 344.499 2.461 50 0 EEAALP Cc1nc2ccccc2nc1C[NH+]1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072478910 216258465 /nfs/dbraw/zinc/25/84/65/216258465.db2.gz WHTWVZGFGABQCF-KRWDZBQOSA-N 2 2 340.471 2.359 50 0 EEAALP Cc1nc2ccccc2nc1C[NH+]1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072478910 216258468 /nfs/dbraw/zinc/25/84/68/216258468.db2.gz WHTWVZGFGABQCF-KRWDZBQOSA-N 2 2 340.471 2.359 50 0 EEAALP O=C(C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2)NC1CC1 ZINC000426563072 241309260 /nfs/dbraw/zinc/30/92/60/241309260.db2.gz HNMCTEDNNBNEMA-HXUWFJFHSA-N 2 2 345.462 2.392 50 0 EEAALP O=C(C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2)NC1CC1 ZINC000426563072 241309265 /nfs/dbraw/zinc/30/92/65/241309265.db2.gz HNMCTEDNNBNEMA-HXUWFJFHSA-N 2 2 345.462 2.392 50 0 EEAALP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)cc1)C2)NC1CC1 ZINC000426563072 241309268 /nfs/dbraw/zinc/30/92/68/241309268.db2.gz HNMCTEDNNBNEMA-HXUWFJFHSA-N 2 2 345.462 2.392 50 0 EEAALP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)cc1)C2)NC1CC1 ZINC000426563072 241309275 /nfs/dbraw/zinc/30/92/75/241309275.db2.gz HNMCTEDNNBNEMA-HXUWFJFHSA-N 2 2 345.462 2.392 50 0 EEAALP O[C@H](C[NH2+]CCCn1cc[nH+]c1)CO[C@H]1CCCc2ccccc21 ZINC000006909458 462711845 /nfs/dbraw/zinc/71/18/45/462711845.db2.gz FQYMDDDUGIUPBL-MJGOQNOKSA-N 2 2 329.444 2.318 50 0 EEAALP Cc1ccccc1-n1cc(C[N@@H+]2CCO[C@H](CC[NH+](C)C)C2)cn1 ZINC000012575198 462858673 /nfs/dbraw/zinc/85/86/73/462858673.db2.gz HKTMJXNSXLKGEH-GOSISDBHSA-N 2 2 328.460 2.333 50 0 EEAALP Cc1ccccc1-n1cc(C[N@H+]2CCO[C@H](CC[NH+](C)C)C2)cn1 ZINC000012575198 462858676 /nfs/dbraw/zinc/85/86/76/462858676.db2.gz HKTMJXNSXLKGEH-GOSISDBHSA-N 2 2 328.460 2.333 50 0 EEAALP Nc1cc[nH+]c(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)n1 ZINC000095529953 463105148 /nfs/dbraw/zinc/10/51/48/463105148.db2.gz WMPSUGVRBHYXHI-HNNXBMFYSA-N 2 2 335.415 2.083 50 0 EEAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nccc2ccccc21 ZINC000102489441 463388055 /nfs/dbraw/zinc/38/80/55/463388055.db2.gz SFSZBCWJKPRWMV-UHFFFAOYSA-N 2 2 340.471 2.333 50 0 EEAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nccc2ccccc21 ZINC000102489441 463388060 /nfs/dbraw/zinc/38/80/60/463388060.db2.gz SFSZBCWJKPRWMV-UHFFFAOYSA-N 2 2 340.471 2.333 50 0 EEAALP Cc1cc2[nH]c(CCNC(=O)N3CCC[N@@H+](C)CC3)[nH+]c2cc1C ZINC000534589977 468267331 /nfs/dbraw/zinc/26/73/31/468267331.db2.gz OUAVMLJQRRNKQX-UHFFFAOYSA-N 2 2 329.448 2.069 50 0 EEAALP Cc1cc2[nH]c(CCNC(=O)N3CCC[N@H+](C)CC3)[nH+]c2cc1C ZINC000534589977 468267335 /nfs/dbraw/zinc/26/73/35/468267335.db2.gz OUAVMLJQRRNKQX-UHFFFAOYSA-N 2 2 329.448 2.069 50 0 EEAALP Cc1ccc([C@@H](C(=O)Nc2nnc(CC[NH+](C)C)s2)[NH+](C)C)cc1 ZINC001529109571 1121318279 /nfs/dbraw/zinc/31/82/79/1121318279.db2.gz FYQZSGZFIHDPRB-HNNXBMFYSA-N 2 2 347.488 2.192 50 0 EEAALP C[N@@H+]1CCC[C@@H](C(=O)N2CCC[NH+](Cc3ccc(Cl)o3)CC2)C1 ZINC001529185060 1121360094 /nfs/dbraw/zinc/36/00/94/1121360094.db2.gz INNMZZLZVNPADM-CQSZACIVSA-N 2 2 339.867 2.309 50 0 EEAALP C[N@H+]1CCC[C@@H](C(=O)N2CCC[NH+](Cc3ccc(Cl)o3)CC2)C1 ZINC001529185060 1121360104 /nfs/dbraw/zinc/36/01/04/1121360104.db2.gz INNMZZLZVNPADM-CQSZACIVSA-N 2 2 339.867 2.309 50 0 EEAALP C[NH+]1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(Cl)o3)CC2)C1 ZINC001529185060 1121360114 /nfs/dbraw/zinc/36/01/14/1121360114.db2.gz INNMZZLZVNPADM-CQSZACIVSA-N 2 2 339.867 2.309 50 0 EEAALP C[NH+]1CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(Cl)o3)CC2)C1 ZINC001529185060 1121360122 /nfs/dbraw/zinc/36/01/22/1121360122.db2.gz INNMZZLZVNPADM-CQSZACIVSA-N 2 2 339.867 2.309 50 0 EEAALP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCc3ccco3)C2)[nH+]1 ZINC000097200856 201382158 /nfs/dbraw/zinc/38/21/58/201382158.db2.gz NYHSVLLQVNHSJR-OAHLLOKOSA-N 2 2 328.416 2.033 50 0 EEAALP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCc3ccco3)C2)[nH+]1 ZINC000097200856 201382161 /nfs/dbraw/zinc/38/21/61/201382161.db2.gz NYHSVLLQVNHSJR-OAHLLOKOSA-N 2 2 328.416 2.033 50 0 EEAALP CCc1c[nH+]c(C)nc1N1CC[N@H+](Cc2ccc(C)o2)[C@H](CCO)C1 ZINC000072479212 203233269 /nfs/dbraw/zinc/23/32/69/203233269.db2.gz BWQMGKZGHNAFNM-QGZVFWFLSA-N 2 2 344.459 2.322 50 0 EEAALP CCc1c[nH+]c(C)nc1N1CC[N@@H+](Cc2ccc(C)o2)[C@H](CCO)C1 ZINC000072479212 203233272 /nfs/dbraw/zinc/23/32/72/203233272.db2.gz BWQMGKZGHNAFNM-QGZVFWFLSA-N 2 2 344.459 2.322 50 0 EEAALP COCc1cc(C)[nH+]c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C(N)=O ZINC000004751816 462637185 /nfs/dbraw/zinc/63/71/85/462637185.db2.gz AVIPBDUIHZPFPH-UHFFFAOYSA-N 2 2 334.464 2.356 50 0 EEAALP Cc1nc(C)c(C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000015062982 462939558 /nfs/dbraw/zinc/93/95/58/462939558.db2.gz GNGSYQLOTWSEIA-AWEZNQCLSA-N 2 2 336.505 2.048 50 0 EEAALP Cc1nc(C)c(C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000015062982 462939565 /nfs/dbraw/zinc/93/95/65/462939565.db2.gz GNGSYQLOTWSEIA-AWEZNQCLSA-N 2 2 336.505 2.048 50 0 EEAALP Cc1cccn2c(CC(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)c[nH+]c12 ZINC000067692866 463038411 /nfs/dbraw/zinc/03/84/11/463038411.db2.gz GQGTWCJWRKQPKO-INIZCTEOSA-N 2 2 328.460 2.279 50 0 EEAALP Cc1cccn2c(CC(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)c[nH+]c12 ZINC000067692866 463038415 /nfs/dbraw/zinc/03/84/15/463038415.db2.gz GQGTWCJWRKQPKO-INIZCTEOSA-N 2 2 328.460 2.279 50 0 EEAALP Cc1[nH]c(C[N@@H+]2CCC[C@H](CCNC(=O)c3cncs3)C2)c[nH+]1 ZINC000067804482 463053087 /nfs/dbraw/zinc/05/30/87/463053087.db2.gz OGWVIDHGGPQWCS-CYBMUJFWSA-N 2 2 333.461 2.207 50 0 EEAALP Cc1[nH]c(C[N@H+]2CCC[C@H](CCNC(=O)c3cncs3)C2)c[nH+]1 ZINC000067804482 463053089 /nfs/dbraw/zinc/05/30/89/463053089.db2.gz OGWVIDHGGPQWCS-CYBMUJFWSA-N 2 2 333.461 2.207 50 0 EEAALP Nc1nc(NCc2ccccc2-n2cccn2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000220322057 464115409 /nfs/dbraw/zinc/11/54/09/464115409.db2.gz UHDKGBOVVDSHGU-UHFFFAOYSA-N 2 2 335.415 2.061 50 0 EEAALP Cc1nc(C2CC[NH+](C3CC[NH+](C)CC3)CC2)n(CC(F)(F)F)n1 ZINC000952869858 796048041 /nfs/dbraw/zinc/04/80/41/796048041.db2.gz NOJMJFOGXUBCDX-UHFFFAOYSA-N 2 2 345.413 2.422 50 0 EEAALP O=C(NCCCn1cc[nH+]c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000023382025 202102770 /nfs/dbraw/zinc/10/27/70/202102770.db2.gz TYIDXOCPODONNH-UHFFFAOYSA-N 2 2 344.434 2.441 50 0 EEAALP Cc1cc(-c2ccc(C(=O)N(CCO)CC[NH+](C)C)cc2)cc(C)[nH+]1 ZINC000426399083 241277697 /nfs/dbraw/zinc/27/76/97/241277697.db2.gz UVMRVIFTIUFZRB-UHFFFAOYSA-N 2 2 341.455 2.362 50 0 EEAALP CCOC(=O)c1ccc(NC2=[NH+]C3(CCCCC3)NC(=[NH2+])N2)cc1 ZINC000000316170 273692310 /nfs/dbraw/zinc/69/23/10/273692310.db2.gz IFYSISWLSVEYQK-UHFFFAOYSA-N 2 2 329.404 2.210 50 0 EEAALP Cc1[nH]c(C[N@@H+]2CC[C@H](CNC(=O)Cc3ccc(F)cc3)C2)c[nH+]1 ZINC000067674035 463035094 /nfs/dbraw/zinc/03/50/94/463035094.db2.gz MGAWNKSYBJITAV-OAHLLOKOSA-N 2 2 330.407 2.038 50 0 EEAALP Cc1[nH]c(C[N@H+]2CC[C@H](CNC(=O)Cc3ccc(F)cc3)C2)c[nH+]1 ZINC000067674035 463035096 /nfs/dbraw/zinc/03/50/96/463035096.db2.gz MGAWNKSYBJITAV-OAHLLOKOSA-N 2 2 330.407 2.038 50 0 EEAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000095357926 463068546 /nfs/dbraw/zinc/06/85/46/463068546.db2.gz UBWVIVWQGDEBHO-INIZCTEOSA-N 2 2 341.459 2.250 50 0 EEAALP Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)on1 ZINC000095526280 463104418 /nfs/dbraw/zinc/10/44/18/463104418.db2.gz SKMBMIIKRGRJFN-HNNXBMFYSA-N 2 2 345.447 2.151 50 0 EEAALP Cc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000027545260 463194161 /nfs/dbraw/zinc/19/41/61/463194161.db2.gz RXOGVAHDVNIGMH-INIZCTEOSA-N 2 2 345.491 2.041 50 0 EEAALP CO[C@@H](C)c1cccc(-c2cc(N3CC[NH+](C)CC3)nc(N)[nH+]2)c1 ZINC000097681925 463361704 /nfs/dbraw/zinc/36/17/04/463361704.db2.gz WNEWUDBGJGSMCF-ZDUSSCGKSA-N 2 2 327.432 2.185 50 0 EEAALP Cc1n[nH]cc1C[N@@H+](C)Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000670458870 485651547 /nfs/dbraw/zinc/65/15/47/485651547.db2.gz ITPMSDDTMDJYOM-UHFFFAOYSA-N 2 2 344.459 2.061 50 0 EEAALP Cc1n[nH]cc1C[N@H+](C)Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000670458870 485651558 /nfs/dbraw/zinc/65/15/58/485651558.db2.gz ITPMSDDTMDJYOM-UHFFFAOYSA-N 2 2 344.459 2.061 50 0 EEAALP Cc1ccc2[nH]c3c(c2c1)C[NH+](CC[C@H]1C[N@@H+](C)CCN1C)CC3 ZINC000019228590 202001621 /nfs/dbraw/zinc/00/16/21/202001621.db2.gz GDLSKDBRHWNBHM-INIZCTEOSA-N 2 2 326.488 2.470 50 0 EEAALP Cc1ccc2[nH]c3c(c2c1)C[NH+](CC[C@H]1C[N@H+](C)CCN1C)CC3 ZINC000019228590 202001623 /nfs/dbraw/zinc/00/16/23/202001623.db2.gz GDLSKDBRHWNBHM-INIZCTEOSA-N 2 2 326.488 2.470 50 0 EEAALP Cc1ccc2[nH]c3c(c2c1)C[N@H+](CC[C@H]1C[NH+](C)CCN1C)CC3 ZINC000019228590 202001625 /nfs/dbraw/zinc/00/16/25/202001625.db2.gz GDLSKDBRHWNBHM-INIZCTEOSA-N 2 2 326.488 2.470 50 0 EEAALP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CC[C@H]1C[NH+](C)CCN1C)CC3 ZINC000019228590 202001627 /nfs/dbraw/zinc/00/16/27/202001627.db2.gz GDLSKDBRHWNBHM-INIZCTEOSA-N 2 2 326.488 2.470 50 0 EEAALP COc1cccc(CN2CCC[C@H]([NH2+]Cc3c[nH+]c(C)n3C)C2)c1 ZINC000022913612 202096081 /nfs/dbraw/zinc/09/60/81/202096081.db2.gz ZGPQSSGGMHYGGO-KRWDZBQOSA-N 2 2 328.460 2.491 50 0 EEAALP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCc1ccsc1 ZINC000065523297 201155630 /nfs/dbraw/zinc/15/56/30/201155630.db2.gz XATHBNRTEQKQND-INIZCTEOSA-N 2 2 344.484 2.236 50 0 EEAALP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCc1ccsc1 ZINC000065523297 201155632 /nfs/dbraw/zinc/15/56/32/201155632.db2.gz XATHBNRTEQKQND-INIZCTEOSA-N 2 2 344.484 2.236 50 0 EEAALP Cc1nc2c(c(NCc3[nH]cc[nH+]3)n1)CC[N@H+](Cc1ccco1)CC2 ZINC000072421218 203220237 /nfs/dbraw/zinc/22/02/37/203220237.db2.gz LVHINTPPHONGPB-UHFFFAOYSA-N 2 2 338.415 2.314 50 0 EEAALP Cc1nc2c(c(NCc3[nH]cc[nH+]3)n1)CC[N@@H+](Cc1ccco1)CC2 ZINC000072421218 203220239 /nfs/dbraw/zinc/22/02/39/203220239.db2.gz LVHINTPPHONGPB-UHFFFAOYSA-N 2 2 338.415 2.314 50 0 EEAALP C[NH+]1CCC([NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000012931103 207265590 /nfs/dbraw/zinc/26/55/90/207265590.db2.gz YNQLTFQCEUPZNR-UHFFFAOYSA-N 2 2 327.222 2.362 50 0 EEAALP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2[nH+]ccn2c1 ZINC000360736485 164371407 /nfs/dbraw/zinc/37/14/07/164371407.db2.gz GGXSGKDYUWBRRN-IAGOWNOFSA-N 2 2 338.386 2.349 50 0 EEAALP CC[C@@H]([NH2+]Cc1cccc(OC)c1OCC[NH+](C)C)c1ncnn1C ZINC000065373801 462760200 /nfs/dbraw/zinc/76/02/00/462760200.db2.gz LYJCKYRWVUHPGH-OAHLLOKOSA-N 2 2 347.463 2.005 50 0 EEAALP O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000108471968 463606293 /nfs/dbraw/zinc/60/62/93/463606293.db2.gz AOXDSLWNGFBLPJ-AEFFLSMTSA-N 2 2 328.460 2.041 50 0 EEAALP CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N(C)CCCc1[nH+]ccn1C ZINC000230483427 464204631 /nfs/dbraw/zinc/20/46/31/464204631.db2.gz JTQXEBDUKSKJPY-SFHVURJKSA-N 2 2 340.471 2.258 50 0 EEAALP CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N(C)CCCc1[nH+]ccn1C ZINC000230483427 464204638 /nfs/dbraw/zinc/20/46/38/464204638.db2.gz JTQXEBDUKSKJPY-SFHVURJKSA-N 2 2 340.471 2.258 50 0 EEAALP CCc1[nH+]ccn1C[C@H](C)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000670447681 485646098 /nfs/dbraw/zinc/64/60/98/485646098.db2.gz GYAXWOZGAKVWCT-INIZCTEOSA-N 2 2 326.444 2.292 50 0 EEAALP CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(C)c1)C2 ZINC000426517983 241301897 /nfs/dbraw/zinc/30/18/97/241301897.db2.gz UFVDUKQQTNOILY-HXUWFJFHSA-N 2 2 329.488 2.419 50 0 EEAALP CCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(C)c1)C2 ZINC000426517983 241301902 /nfs/dbraw/zinc/30/19/02/241301902.db2.gz UFVDUKQQTNOILY-HXUWFJFHSA-N 2 2 329.488 2.419 50 0 EEAALP CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000426517983 241301905 /nfs/dbraw/zinc/30/19/05/241301905.db2.gz UFVDUKQQTNOILY-HXUWFJFHSA-N 2 2 329.488 2.419 50 0 EEAALP CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(C)c1)C2 ZINC000426517983 241301909 /nfs/dbraw/zinc/30/19/09/241301909.db2.gz UFVDUKQQTNOILY-HXUWFJFHSA-N 2 2 329.488 2.419 50 0 EEAALP C[N@H+](CCCn1cccn1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000244574761 243042424 /nfs/dbraw/zinc/04/24/24/243042424.db2.gz CQYBNRMCXDIENY-FQEVSTJZSA-N 2 2 342.487 2.496 50 0 EEAALP C[N@@H+](CCCn1cccn1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000244574761 243042426 /nfs/dbraw/zinc/04/24/26/243042426.db2.gz CQYBNRMCXDIENY-FQEVSTJZSA-N 2 2 342.487 2.496 50 0 EEAALP C[NH+](CCCn1cccn1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000244574761 243042434 /nfs/dbraw/zinc/04/24/34/243042434.db2.gz CQYBNRMCXDIENY-FQEVSTJZSA-N 2 2 342.487 2.496 50 0 EEAALP C[NH+](CCCn1cccn1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000244574761 243042439 /nfs/dbraw/zinc/04/24/39/243042439.db2.gz CQYBNRMCXDIENY-FQEVSTJZSA-N 2 2 342.487 2.496 50 0 EEAALP O=C(NC[C@H]1CCC[N@@H+](C2CCCC2)C1)C1(Cn2cc[nH+]c2)CC1 ZINC000067920104 463068303 /nfs/dbraw/zinc/06/83/03/463068303.db2.gz REMQKCKJJJOQGO-MRXNPFEDSA-N 2 2 330.476 2.434 50 0 EEAALP O=C(NC[C@H]1CCC[N@H+](C2CCCC2)C1)C1(Cn2cc[nH+]c2)CC1 ZINC000067920104 463068306 /nfs/dbraw/zinc/06/83/06/463068306.db2.gz REMQKCKJJJOQGO-MRXNPFEDSA-N 2 2 330.476 2.434 50 0 EEAALP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000067934382 463069305 /nfs/dbraw/zinc/06/93/05/463069305.db2.gz IPAUIURSYQSDJZ-GOSISDBHSA-N 2 2 332.407 2.203 50 0 EEAALP COc1ccc([C@@H]([NH3+])CC(=O)Nc2c[nH+]c3n2CCCC3)cc1OC ZINC000067946779 463071686 /nfs/dbraw/zinc/07/16/86/463071686.db2.gz LOOVASAXMCTPDG-ZDUSSCGKSA-N 2 2 344.415 2.265 50 0 EEAALP Cc1ocnc1C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095375049 463071884 /nfs/dbraw/zinc/07/18/84/463071884.db2.gz QRCNGLXDAFBTMF-UHFFFAOYSA-N 2 2 345.447 2.151 50 0 EEAALP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2OCCc2ccccc2)C[C@H]1O ZINC000082161209 463520244 /nfs/dbraw/zinc/52/02/44/463520244.db2.gz YUNWENXAKDLRTR-RTBURBONSA-N 2 2 326.440 2.202 50 0 EEAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2OCCc2ccccc2)C[C@H]1O ZINC000082161209 463520249 /nfs/dbraw/zinc/52/02/49/463520249.db2.gz YUNWENXAKDLRTR-RTBURBONSA-N 2 2 326.440 2.202 50 0 EEAALP CC(C)(C)OC(=O)N1C[C@]23C[NH2+]C[C@@]2(C1)C[N@@H+](Cc1ccccc1)C3 ZINC000601012578 468718615 /nfs/dbraw/zinc/71/86/15/468718615.db2.gz OJGVKSZPOHAXBY-BGYRXZFFSA-N 2 2 343.471 2.329 50 0 EEAALP CC(C)(C)OC(=O)N1C[C@]23C[NH2+]C[C@@]2(C1)C[N@H+](Cc1ccccc1)C3 ZINC000601012578 468718616 /nfs/dbraw/zinc/71/86/16/468718616.db2.gz OJGVKSZPOHAXBY-BGYRXZFFSA-N 2 2 343.471 2.329 50 0 EEAALP Nc1nc(N2CCCC2)cc(-c2cccc(C[NH+]3CCOCC3)c2)[nH+]1 ZINC000097680005 219048052 /nfs/dbraw/zinc/04/80/52/219048052.db2.gz LCNMVYGILLVAPD-UHFFFAOYSA-N 2 2 339.443 2.158 50 0 EEAALP CC(C)Cc1cc(C(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)on1 ZINC000067756141 215204537 /nfs/dbraw/zinc/20/45/37/215204537.db2.gz ZMYVTHNVKTYARD-UHFFFAOYSA-N 2 2 348.491 2.115 50 0 EEAALP CC(C)Cc1cc(C(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)on1 ZINC000067756141 215204540 /nfs/dbraw/zinc/20/45/40/215204540.db2.gz ZMYVTHNVKTYARD-UHFFFAOYSA-N 2 2 348.491 2.115 50 0 EEAALP Cc1ccc[nH+]c1NCCNC(=O)[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000091680355 218047203 /nfs/dbraw/zinc/04/72/03/218047203.db2.gz OXQKDPIHQHHQNE-MRXNPFEDSA-N 2 2 330.407 2.360 50 0 EEAALP O=c1oc2ccccc2n1CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000065473411 462776465 /nfs/dbraw/zinc/77/64/65/462776465.db2.gz IAYKRGQYSHHJLG-HNNXBMFYSA-N 2 2 338.411 2.424 50 0 EEAALP O=c1oc2ccccc2n1CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000065473411 462776472 /nfs/dbraw/zinc/77/64/72/462776472.db2.gz IAYKRGQYSHHJLG-HNNXBMFYSA-N 2 2 338.411 2.424 50 0 EEAALP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077439543 462985021 /nfs/dbraw/zinc/98/50/21/462985021.db2.gz ULULZDGVWJNXBY-FQEVSTJZSA-N 2 2 340.471 2.361 50 0 EEAALP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077439543 462985025 /nfs/dbraw/zinc/98/50/25/462985025.db2.gz ULULZDGVWJNXBY-FQEVSTJZSA-N 2 2 340.471 2.361 50 0 EEAALP O[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)C[NH2+]CCOC1 ZINC000077452770 462988203 /nfs/dbraw/zinc/98/82/03/462988203.db2.gz LLQAVAXYXPTQTL-QGZVFWFLSA-N 2 2 336.819 2.041 50 0 EEAALP CCn1cc[nH+]c1CN1CC[N@H+](Cc2ccccc2C)[C@@H](CCO)C1 ZINC000019228435 463015327 /nfs/dbraw/zinc/01/53/27/463015327.db2.gz LNXPBUMGMNBGGZ-IBGZPJMESA-N 2 2 342.487 2.280 50 0 EEAALP CCn1cc[nH+]c1CN1CC[N@@H+](Cc2ccccc2C)[C@@H](CCO)C1 ZINC000019228435 463015332 /nfs/dbraw/zinc/01/53/32/463015332.db2.gz LNXPBUMGMNBGGZ-IBGZPJMESA-N 2 2 342.487 2.280 50 0 EEAALP Nc1cc[nH+]c(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)n1 ZINC000095529389 463105759 /nfs/dbraw/zinc/10/57/59/463105759.db2.gz GFMQVZFBFMSJIX-UHFFFAOYSA-N 2 2 335.415 2.083 50 0 EEAALP Cc1ccc(NC[C@H]2CC[N@H+](Cc3cc(=O)n4ccccc4n3)C2)[nH+]c1 ZINC000097200780 463346158 /nfs/dbraw/zinc/34/61/58/463346158.db2.gz UXSAQGAISQPNLR-MRXNPFEDSA-N 2 2 349.438 2.332 50 0 EEAALP Cc1ccc(NC[C@H]2CC[N@@H+](Cc3cc(=O)n4ccccc4n3)C2)[nH+]c1 ZINC000097200780 463346161 /nfs/dbraw/zinc/34/61/61/463346161.db2.gz UXSAQGAISQPNLR-MRXNPFEDSA-N 2 2 349.438 2.332 50 0 EEAALP CN(Cc1ccccc1)C(=O)C1CC[NH+](CCc2[nH]cc[nH+]2)CC1 ZINC000670458280 485651650 /nfs/dbraw/zinc/65/16/50/485651650.db2.gz RYJRBSUITDPXEG-UHFFFAOYSA-N 2 2 326.444 2.323 50 0 EEAALP C[NH+](C)C[C@]12C[NH2+]C[C@H]1CN(c1cc[nH+]c3cc(Cl)ccc31)C2 ZINC001772704633 1179289183 /nfs/dbraw/zinc/28/91/83/1179289183.db2.gz OGYPAUJDBXDSSY-UGSOOPFHSA-N 3 2 330.863 2.476 50 0 EEAALP COc1c(F)ccc(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)c1F ZINC000215575531 241133743 /nfs/dbraw/zinc/13/37/43/241133743.db2.gz MIWREICYTMWIGW-UHFFFAOYSA-N 2 2 337.370 2.197 50 0 EEAALP CCOc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OCC ZINC000020175632 212109917 /nfs/dbraw/zinc/10/99/17/212109917.db2.gz JLYGXLAULXYHEN-GFCCVEGCSA-N 2 2 330.856 2.197 50 0 EEAALP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077287389 216863852 /nfs/dbraw/zinc/86/38/52/216863852.db2.gz UNOXQUOSASCSDU-LJQANCHMSA-N 2 2 331.460 2.068 50 0 EEAALP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077287389 216863853 /nfs/dbraw/zinc/86/38/53/216863853.db2.gz UNOXQUOSASCSDU-LJQANCHMSA-N 2 2 331.460 2.068 50 0 EEAALP Cc1nc(C)c(C(=O)N2CCC(c3[nH+]ccn3CC[NH+](C)C)CC2)o1 ZINC000092108021 218122193 /nfs/dbraw/zinc/12/21/93/218122193.db2.gz PWCRLQWPKUSCCW-UHFFFAOYSA-N 2 2 345.447 2.069 50 0 EEAALP c1ccc2c(c1)[nH+]c(NCc1ccncc1)n2CC[NH+]1CCOCC1 ZINC000002204068 462590206 /nfs/dbraw/zinc/59/02/06/462590206.db2.gz ASBVNONXTAFQSH-UHFFFAOYSA-N 2 2 337.427 2.376 50 0 EEAALP CCCc1cc(N2CC[NH+](Cc3cccnc3OC)CC2)nc(C)[nH+]1 ZINC000065490309 462779410 /nfs/dbraw/zinc/77/94/10/462779410.db2.gz JYDMEIJJKPNGPI-UHFFFAOYSA-N 2 2 341.459 2.463 50 0 EEAALP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000019581912 463019473 /nfs/dbraw/zinc/01/94/73/463019473.db2.gz DVNGPQFPROGEMY-DLBZAZTESA-N 2 2 330.476 2.241 50 0 EEAALP CC1(C)CCC[N@@H+]1Cc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000095503630 463095729 /nfs/dbraw/zinc/09/57/29/463095729.db2.gz AVNCPPXDWHWBNT-SFHVURJKSA-N 2 2 348.487 2.133 50 0 EEAALP CC1(C)CCC[N@H+]1Cc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000095503630 463095732 /nfs/dbraw/zinc/09/57/32/463095732.db2.gz AVNCPPXDWHWBNT-SFHVURJKSA-N 2 2 348.487 2.133 50 0 EEAALP CC(=O)Nn1c(C)cc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1C ZINC000071764780 463424035 /nfs/dbraw/zinc/42/40/35/463424035.db2.gz YOPULSHWAIKHTD-QGZVFWFLSA-N 2 2 329.448 2.304 50 0 EEAALP CC(=O)Nn1c(C)cc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1C ZINC000071764780 463424042 /nfs/dbraw/zinc/42/40/42/463424042.db2.gz YOPULSHWAIKHTD-QGZVFWFLSA-N 2 2 329.448 2.304 50 0 EEAALP Cc1cnn(C[C@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000106785791 463535683 /nfs/dbraw/zinc/53/56/83/463535683.db2.gz AZCXBFWISDFPAM-UXHICEINSA-N 2 2 342.487 2.149 50 0 EEAALP Cc1cnn(C[C@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000106785791 463535687 /nfs/dbraw/zinc/53/56/87/463535687.db2.gz AZCXBFWISDFPAM-UXHICEINSA-N 2 2 342.487 2.149 50 0 EEAALP Cc1cnn(C[C@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000106785791 463535691 /nfs/dbraw/zinc/53/56/91/463535691.db2.gz AZCXBFWISDFPAM-UXHICEINSA-N 2 2 342.487 2.149 50 0 EEAALP Cc1cnn(C[C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000106785791 463535695 /nfs/dbraw/zinc/53/56/95/463535695.db2.gz AZCXBFWISDFPAM-UXHICEINSA-N 2 2 342.487 2.149 50 0 EEAALP COc1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000824852132 800299230 /nfs/dbraw/zinc/29/92/30/800299230.db2.gz XHAMWZITPJALRJ-QGZVFWFLSA-N 2 2 326.444 2.439 50 0 EEAALP COc1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000824852132 800299234 /nfs/dbraw/zinc/29/92/34/800299234.db2.gz XHAMWZITPJALRJ-QGZVFWFLSA-N 2 2 326.444 2.439 50 0 EEAALP COc1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000824852132 800299239 /nfs/dbraw/zinc/29/92/39/800299239.db2.gz XHAMWZITPJALRJ-QGZVFWFLSA-N 2 2 326.444 2.439 50 0 EEAALP COc1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000824852132 800299244 /nfs/dbraw/zinc/29/92/44/800299244.db2.gz XHAMWZITPJALRJ-QGZVFWFLSA-N 2 2 326.444 2.439 50 0 EEAALP CN(C(=O)c1cc(C[NH+](C)Cc2ccccc2)on1)[C@H]1CC[N@H+](C)C1 ZINC000067784378 215210868 /nfs/dbraw/zinc/21/08/68/215210868.db2.gz GSGNRYPBNHEZFQ-INIZCTEOSA-N 2 2 342.443 2.083 50 0 EEAALP CN(C(=O)c1cc(C[NH+](C)Cc2ccccc2)on1)[C@H]1CC[N@@H+](C)C1 ZINC000067784378 215210872 /nfs/dbraw/zinc/21/08/72/215210872.db2.gz GSGNRYPBNHEZFQ-INIZCTEOSA-N 2 2 342.443 2.083 50 0 EEAALP CN(C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1)[C@H]1CC[NH+](C)C1 ZINC000067784378 215210876 /nfs/dbraw/zinc/21/08/76/215210876.db2.gz GSGNRYPBNHEZFQ-INIZCTEOSA-N 2 2 342.443 2.083 50 0 EEAALP CN(C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1)[C@H]1CC[NH+](C)C1 ZINC000067784378 215210882 /nfs/dbraw/zinc/21/08/82/215210882.db2.gz GSGNRYPBNHEZFQ-INIZCTEOSA-N 2 2 342.443 2.083 50 0 EEAALP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]c3ccccn23)C1 ZINC000067803243 215215666 /nfs/dbraw/zinc/21/56/66/215215666.db2.gz HKZTVIYTYDTDGX-MRXNPFEDSA-N 2 2 328.460 2.361 50 0 EEAALP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]c3ccccn23)C1 ZINC000067803243 215215668 /nfs/dbraw/zinc/21/56/68/215215668.db2.gz HKZTVIYTYDTDGX-MRXNPFEDSA-N 2 2 328.460 2.361 50 0 EEAALP COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)c1 ZINC000072422948 216211148 /nfs/dbraw/zinc/21/11/48/216211148.db2.gz WUKWRKASILULMG-INIZCTEOSA-N 2 2 343.475 2.265 50 0 EEAALP COc1cccc(C[N@H+]2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)c1 ZINC000072422948 216211150 /nfs/dbraw/zinc/21/11/50/216211150.db2.gz WUKWRKASILULMG-INIZCTEOSA-N 2 2 343.475 2.265 50 0 EEAALP Nc1nc(NCC2CC[NH+](C3CCCC3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219469790 241386731 /nfs/dbraw/zinc/38/67/31/241386731.db2.gz IPBBQPVCAMCHQP-UHFFFAOYSA-N 3 2 344.507 2.330 50 0 EEAALP Cc1cc(C)c(C(N)=O)c(N2CC[NH+](Cc3cccs3)CC2)[nH+]1 ZINC000024839973 463100477 /nfs/dbraw/zinc/10/04/77/463100477.db2.gz QXYBPJFDRLDYOP-UHFFFAOYSA-N 2 2 330.457 2.181 50 0 EEAALP Cn1cc([C@](C)(O)C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000108363809 463601987 /nfs/dbraw/zinc/60/19/87/463601987.db2.gz AMBCOUFUCWYWJU-AZUAARDMSA-N 2 2 342.487 2.270 50 0 EEAALP Cn1cc([C@](C)(O)C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000108363809 463601991 /nfs/dbraw/zinc/60/19/91/463601991.db2.gz AMBCOUFUCWYWJU-AZUAARDMSA-N 2 2 342.487 2.270 50 0 EEAALP CN(Cc1ccccc1-n1cccn1)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244719157 243070001 /nfs/dbraw/zinc/07/00/01/243070001.db2.gz LXZWKLWWQHWEAN-GASCZTMLSA-N 2 2 349.442 2.086 50 0 EEAALP Cc1c(C)n(CC[NH+]2CCOCC2)c2nc[nH+]c(NCC(C)C)c12 ZINC000020573785 212148616 /nfs/dbraw/zinc/14/86/16/212148616.db2.gz IJSJXUVQUKSWDO-UHFFFAOYSA-N 2 2 331.464 2.448 50 0 EEAALP C[N@H+](CCCC[NH+]1CCOCC1)Cc1nc(-c2cccs2)no1 ZINC000012302692 211338914 /nfs/dbraw/zinc/33/89/14/211338914.db2.gz NSAGBMUXCUPDOO-UHFFFAOYSA-N 2 2 336.461 2.342 50 0 EEAALP C[N@@H+](CCCC[NH+]1CCOCC1)Cc1nc(-c2cccs2)no1 ZINC000012302692 211338916 /nfs/dbraw/zinc/33/89/16/211338916.db2.gz NSAGBMUXCUPDOO-UHFFFAOYSA-N 2 2 336.461 2.342 50 0 EEAALP Cc1ccccc1-n1cc(C[N@@H+]2CCO[C@@H](CC[NH+](C)C)C2)cn1 ZINC000012575204 462858081 /nfs/dbraw/zinc/85/80/81/462858081.db2.gz HKTMJXNSXLKGEH-SFHVURJKSA-N 2 2 328.460 2.333 50 0 EEAALP Cc1ccccc1-n1cc(C[N@H+]2CCO[C@@H](CC[NH+](C)C)C2)cn1 ZINC000012575204 462858087 /nfs/dbraw/zinc/85/80/87/462858087.db2.gz HKTMJXNSXLKGEH-SFHVURJKSA-N 2 2 328.460 2.333 50 0 EEAALP Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)no1 ZINC000095522142 463102218 /nfs/dbraw/zinc/10/22/18/463102218.db2.gz NZFRRHSNSTWZSJ-HNNXBMFYSA-N 2 2 345.447 2.151 50 0 EEAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[N@@H+](C)Cc2ccncc2)cc1 ZINC000219956795 464112851 /nfs/dbraw/zinc/11/28/51/464112851.db2.gz WGIUOUHYMLKYFY-UHFFFAOYSA-N 2 2 349.438 2.324 50 0 EEAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[N@H+](C)Cc2ccncc2)cc1 ZINC000219956795 464112858 /nfs/dbraw/zinc/11/28/58/464112858.db2.gz WGIUOUHYMLKYFY-UHFFFAOYSA-N 2 2 349.438 2.324 50 0 EEAALP [NH2+]=c1n(CC[NH+]2CCOCC2)c2ccccc2n1Cc1ccccc1 ZINC000585655848 469013013 /nfs/dbraw/zinc/01/30/13/469013013.db2.gz VFNDUPJKUFXAJN-UHFFFAOYSA-N 2 2 336.439 2.303 50 0 EEAALP CCc1[nH+]ccn1C[C@H](C)[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC001772807650 1410369028 /nfs/dbraw/zinc/36/90/28/1410369028.db2.gz QOGGAHJKOCAOJR-INIZCTEOSA-N 2 2 341.459 2.077 50 0 EEAALP COc1cc(NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)nc(N)[nH+]1 ZINC001529172907 1121354626 /nfs/dbraw/zinc/35/46/26/1121354626.db2.gz SRCLCVDMQZRAOW-HNNXBMFYSA-N 2 2 327.432 2.359 50 0 EEAALP COc1cc(NCC[N@H+]2CCC[C@H](c3ccccc3)C2)nc(N)[nH+]1 ZINC001529172907 1121354635 /nfs/dbraw/zinc/35/46/35/1121354635.db2.gz SRCLCVDMQZRAOW-HNNXBMFYSA-N 2 2 327.432 2.359 50 0 EEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccccc2)[nH+]c(C)n1 ZINC000067620988 215169750 /nfs/dbraw/zinc/16/97/50/215169750.db2.gz NUTHNHWDDDOYCS-UHFFFAOYSA-N 2 2 336.399 2.121 50 0 EEAALP O=c1c2ccccc2cnn1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067818712 215221280 /nfs/dbraw/zinc/22/12/80/215221280.db2.gz WKTONLGOQYZXNI-IBGZPJMESA-N 2 2 348.450 2.261 50 0 EEAALP O=c1c2ccccc2cnn1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067818712 215221281 /nfs/dbraw/zinc/22/12/81/215221281.db2.gz WKTONLGOQYZXNI-IBGZPJMESA-N 2 2 348.450 2.261 50 0 EEAALP Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CC[C@](O)(C[NH+](C)C)C2)c1 ZINC000072423585 216213371 /nfs/dbraw/zinc/21/33/71/216213371.db2.gz YRZTXMZJQLYIHG-IBGZPJMESA-N 2 2 328.460 2.192 50 0 EEAALP Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CC[C@](O)(C[NH+](C)C)C2)c1 ZINC000072423585 216213374 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2.424 50 0 EEAALP Fc1ccc2[nH]c(CCC[NH+]3CCN(c4cnccn4)CC3)[nH+]c2c1 ZINC000020600701 463029266 /nfs/dbraw/zinc/02/92/66/463029266.db2.gz VSWBTQIVFZMINF-UHFFFAOYSA-N 2 2 340.406 2.247 50 0 EEAALP CSCCC(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095517759 463100376 /nfs/dbraw/zinc/10/03/76/463100376.db2.gz XGIODULUGBICSS-OAHLLOKOSA-N 2 2 338.521 2.294 50 0 EEAALP Cc1ccc(NC[C@@H]2CC[N@H+](Cc3cc(=O)n4ccccc4n3)C2)[nH+]c1 ZINC000097200779 463345765 /nfs/dbraw/zinc/34/57/65/463345765.db2.gz UXSAQGAISQPNLR-INIZCTEOSA-N 2 2 349.438 2.332 50 0 EEAALP Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3cc(=O)n4ccccc4n3)C2)[nH+]c1 ZINC000097200779 463345768 /nfs/dbraw/zinc/34/57/68/463345768.db2.gz UXSAQGAISQPNLR-INIZCTEOSA-N 2 2 349.438 2.332 50 0 EEAALP Cn1cc([C@H]([NH2+]C2CC[NH+](Cc3ccco3)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000222580440 464132090 /nfs/dbraw/zinc/13/20/90/464132090.db2.gz BZBRNJOBUJCTMD-LSBZLQRGSA-N 2 2 344.459 2.079 50 0 EEAALP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cnc(C(F)(F)F)nc2C)C1 ZINC000670448762 485646154 /nfs/dbraw/zinc/64/61/54/485646154.db2.gz YBUHIGUYNLDFCI-ZDUSSCGKSA-N 2 2 346.397 2.204 50 0 EEAALP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cnc(C(F)(F)F)nc2C)C1 ZINC000670448762 485646157 /nfs/dbraw/zinc/64/61/57/485646157.db2.gz YBUHIGUYNLDFCI-ZDUSSCGKSA-N 2 2 346.397 2.204 50 0 EEAALP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cnc(C(F)(F)F)nc2C)C1 ZINC000670448762 485646160 /nfs/dbraw/zinc/64/61/60/485646160.db2.gz YBUHIGUYNLDFCI-ZDUSSCGKSA-N 2 2 346.397 2.204 50 0 EEAALP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cnc(C(F)(F)F)nc2C)C1 ZINC000670448762 485646164 /nfs/dbraw/zinc/64/61/64/485646164.db2.gz YBUHIGUYNLDFCI-ZDUSSCGKSA-N 2 2 346.397 2.204 50 0 EEAALP C[NH+](C)Cc1csc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)c1 ZINC000215042004 536061142 /nfs/dbraw/zinc/06/11/42/536061142.db2.gz LZDZEIANKBJRDN-SFHVURJKSA-N 2 2 343.496 2.353 50 0 EEAALP C[NH+](C)Cc1csc(C[N@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)c1 ZINC000215042004 536061145 /nfs/dbraw/zinc/06/11/45/536061145.db2.gz LZDZEIANKBJRDN-SFHVURJKSA-N 2 2 343.496 2.353 50 0 EEAALP Cc1ccc([C@H](C(=O)Nc2nnc(CC[NH+](C)C)s2)[NH+](C)C)cc1 ZINC001529109574 1121317406 /nfs/dbraw/zinc/31/74/06/1121317406.db2.gz FYQZSGZFIHDPRB-OAHLLOKOSA-N 2 2 347.488 2.192 50 0 EEAALP COc1ccc(/C=C/C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)cc1 ZINC000097743123 219053582 /nfs/dbraw/zinc/05/35/82/219053582.db2.gz JFXDOGQAVUBLQN-NSCUHMNNSA-N 2 2 327.428 2.432 50 0 EEAALP CCOc1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCCC3)C2)cc1CO ZINC000097743546 219053717 /nfs/dbraw/zinc/05/37/17/219053717.db2.gz LHBZWZDYBBYMTO-IBGZPJMESA-N 2 2 348.487 2.264 50 0 EEAALP CCOc1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCCC3)C2)cc1CO ZINC000097743546 219053719 /nfs/dbraw/zinc/05/37/19/219053719.db2.gz LHBZWZDYBBYMTO-IBGZPJMESA-N 2 2 348.487 2.264 50 0 EEAALP CCc1[nH]c(CN2CC[N@H+](Cc3ccc(C)o3)[C@H](CCO)C2)c(C)[nH+]1 ZINC000055384169 214315249 /nfs/dbraw/zinc/31/52/49/214315249.db2.gz JNBJXAXAYKDSCK-MRXNPFEDSA-N 2 2 346.475 2.251 50 0 EEAALP CCc1[nH]c(CN2CC[N@@H+](Cc3ccc(C)o3)[C@H](CCO)C2)c(C)[nH+]1 ZINC000055384169 214315251 /nfs/dbraw/zinc/31/52/51/214315251.db2.gz JNBJXAXAYKDSCK-MRXNPFEDSA-N 2 2 346.475 2.251 50 0 EEAALP O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1([NH+]2CCOCC2)CCCCC1 ZINC000072418417 216206942 /nfs/dbraw/zinc/20/69/42/216206942.db2.gz PAXUWESMHUMQDV-UHFFFAOYSA-N 2 2 346.475 2.151 50 0 EEAALP Cc1[nH+]c2cc(CNC(=O)c3cccc(OCC[NH3+])c3)ccc2n1C ZINC000426634369 241320808 /nfs/dbraw/zinc/32/08/08/241320808.db2.gz ZIXMAIXINSXZCH-UHFFFAOYSA-N 2 2 338.411 2.149 50 0 EEAALP CCOC(=O)c1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)on1 ZINC000012410851 211371421 /nfs/dbraw/zinc/37/14/21/211371421.db2.gz XNCVKOXPSFQCHK-UHFFFAOYSA-N 2 2 326.356 2.327 50 0 EEAALP O=C1CC[C@@]2(CCC[N@H+](Cc3ccoc3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000092078640 218117667 /nfs/dbraw/zinc/11/76/67/218117667.db2.gz OUFLQHYBARFLQA-LJQANCHMSA-N 2 2 342.443 2.450 50 0 EEAALP O=C1CC[C@@]2(CCC[N@@H+](Cc3ccoc3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000092078640 218117670 /nfs/dbraw/zinc/11/76/70/218117670.db2.gz OUFLQHYBARFLQA-LJQANCHMSA-N 2 2 342.443 2.450 50 0 EEAALP O=C1CC[C@@]2(CCC[N@H+](Cc3ccoc3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000092078640 218117672 /nfs/dbraw/zinc/11/76/72/218117672.db2.gz OUFLQHYBARFLQA-LJQANCHMSA-N 2 2 342.443 2.450 50 0 EEAALP O=C1CC[C@@]2(CCC[N@@H+](Cc3ccoc3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000092078640 218117673 /nfs/dbraw/zinc/11/76/73/218117673.db2.gz OUFLQHYBARFLQA-LJQANCHMSA-N 2 2 342.443 2.450 50 0 EEAALP Cc1nonc1C[N@@H+](C)Cc1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000299784274 258091991 /nfs/dbraw/zinc/09/19/91/258091991.db2.gz OTXWCUPHULMRJL-INIZCTEOSA-N 2 2 330.432 2.388 50 0 EEAALP Cc1nonc1C[N@H+](C)Cc1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000299784274 258091992 /nfs/dbraw/zinc/09/19/92/258091992.db2.gz OTXWCUPHULMRJL-INIZCTEOSA-N 2 2 330.432 2.388 50 0 EEAALP c1nn(CC[NH+]2CCOCC2)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000065490708 462779579 /nfs/dbraw/zinc/77/95/79/462779579.db2.gz QJXDFOMVBRFHSB-UHFFFAOYSA-N 2 2 344.503 2.130 50 0 EEAALP CC(C)([NH3+])C[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000077535487 463002249 /nfs/dbraw/zinc/00/22/49/463002249.db2.gz XIRGATMLMZQMCE-UHFFFAOYSA-N 3 2 346.523 2.126 50 0 EEAALP CC(C)([NH3+])CN1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000077535487 463002253 /nfs/dbraw/zinc/00/22/53/463002253.db2.gz XIRGATMLMZQMCE-UHFFFAOYSA-N 2 2 346.523 2.126 50 0 EEAALP CC(C)(C)NC(=O)COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000028426892 463225492 /nfs/dbraw/zinc/22/54/92/463225492.db2.gz QDESZZFVDZGZIH-UHFFFAOYSA-N 2 2 344.459 2.357 50 0 EEAALP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CNc3ccc(C)c[nH+]3)C2)no1 ZINC000097200754 463345734 /nfs/dbraw/zinc/34/57/34/463345734.db2.gz FWTYJYPWLPOZMD-CQSZACIVSA-N 2 2 329.404 2.059 50 0 EEAALP Cc1cc(NC(=O)C[N@H+]2CC[C@H](CNc3ccc(C)c[nH+]3)C2)no1 ZINC000097200754 463345735 /nfs/dbraw/zinc/34/57/35/463345735.db2.gz FWTYJYPWLPOZMD-CQSZACIVSA-N 2 2 329.404 2.059 50 0 EEAALP CCCc1nnc2sc(C3CC[NH+](C4CC[NH+](C)CC4)CC3)nn12 ZINC000071523941 463418080 /nfs/dbraw/zinc/41/80/80/463418080.db2.gz VCZITTDHDWJGQA-UHFFFAOYSA-N 2 2 348.520 2.412 50 0 EEAALP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000105897206 463492560 /nfs/dbraw/zinc/49/25/60/463492560.db2.gz OJMPNOPMCFXEOE-KBPBESRZSA-N 2 2 331.420 2.406 50 0 EEAALP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000105897206 463492565 /nfs/dbraw/zinc/49/25/65/463492565.db2.gz OJMPNOPMCFXEOE-KBPBESRZSA-N 2 2 331.420 2.406 50 0 EEAALP Cn1cc([C@@H]([NH2+]C2CC[NH+](Cc3ccco3)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000222580368 464131546 /nfs/dbraw/zinc/13/15/46/464131546.db2.gz BZBRNJOBUJCTMD-FNHZYXHNSA-N 2 2 344.459 2.079 50 0 EEAALP CN(CCn1ccc2ccccc21)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244900133 464464737 /nfs/dbraw/zinc/46/47/37/464464737.db2.gz ZWPPTIGNKQWCFE-GASCZTMLSA-N 2 2 336.443 2.355 50 0 EEAALP C[NH+]1CCC(N(CCc2ccccc2)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000063845022 793912075 /nfs/dbraw/zinc/91/20/75/793912075.db2.gz VCFWRKKBPZGIIY-UHFFFAOYSA-N 2 2 326.444 2.118 50 0 EEAALP Cn1cnnc1Sc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000067774218 215209225 /nfs/dbraw/zinc/20/92/25/215209225.db2.gz MSWODAPGDPCTJV-MRXNPFEDSA-N 2 2 333.461 2.135 50 0 EEAALP Cn1cnnc1Sc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000067774218 215209227 /nfs/dbraw/zinc/20/92/27/215209227.db2.gz MSWODAPGDPCTJV-MRXNPFEDSA-N 2 2 333.461 2.135 50 0 EEAALP C[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000097568975 219035053 /nfs/dbraw/zinc/03/50/53/219035053.db2.gz VJZKDYGLTMNHFE-UHFFFAOYSA-N 2 2 344.286 2.336 50 0 EEAALP C[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000097568975 219035054 /nfs/dbraw/zinc/03/50/54/219035054.db2.gz VJZKDYGLTMNHFE-UHFFFAOYSA-N 2 2 344.286 2.336 50 0 EEAALP COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2OC)CC[C@H]1[NH+](C)C ZINC000014995091 462938377 /nfs/dbraw/zinc/93/83/77/462938377.db2.gz DATJULCRYOWTMP-DOTOQJQBSA-N 2 2 334.460 2.401 50 0 EEAALP COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2OC)CC[C@H]1[NH+](C)C ZINC000014995091 462938381 /nfs/dbraw/zinc/93/83/81/462938381.db2.gz DATJULCRYOWTMP-DOTOQJQBSA-N 2 2 334.460 2.401 50 0 EEAALP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1cccs1 ZINC000097200494 463345519 /nfs/dbraw/zinc/34/55/19/463345519.db2.gz FXSAMEAXOFPIIH-CQSZACIVSA-N 2 2 330.457 2.193 50 0 EEAALP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1cccs1 ZINC000097200494 463345524 /nfs/dbraw/zinc/34/55/24/463345524.db2.gz FXSAMEAXOFPIIH-CQSZACIVSA-N 2 2 330.457 2.193 50 0 EEAALP C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222199034 464127295 /nfs/dbraw/zinc/12/72/95/464127295.db2.gz SHXLEMUEQVQWGM-OLZOCXBDSA-N 2 2 331.445 2.299 50 0 EEAALP C[C@H](C(=O)Nc1nccs1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222199034 464127300 /nfs/dbraw/zinc/12/73/00/464127300.db2.gz SHXLEMUEQVQWGM-OLZOCXBDSA-N 2 2 331.445 2.299 50 0 EEAALP C[N@@H+]1CCc2ncnc(N3C[C@H]4CC[NH+](Cc5ccccc5)[C@@H]4C3)c2C1 ZINC000225216556 464154268 /nfs/dbraw/zinc/15/42/68/464154268.db2.gz YABLODMZIQCXQM-YLJYHZDGSA-N 2 2 349.482 2.175 50 0 EEAALP C[N@H+]1CCc2ncnc(N3C[C@H]4CC[NH+](Cc5ccccc5)[C@@H]4C3)c2C1 ZINC000225216556 464154276 /nfs/dbraw/zinc/15/42/76/464154276.db2.gz YABLODMZIQCXQM-YLJYHZDGSA-N 2 2 349.482 2.175 50 0 EEAALP C[NH+]1CCc2ncnc(N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)c2C1 ZINC000225216556 464154280 /nfs/dbraw/zinc/15/42/80/464154280.db2.gz YABLODMZIQCXQM-YLJYHZDGSA-N 2 2 349.482 2.175 50 0 EEAALP C[NH+]1CCc2ncnc(N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)c2C1 ZINC000225216556 464154285 /nfs/dbraw/zinc/15/42/85/464154285.db2.gz YABLODMZIQCXQM-YLJYHZDGSA-N 2 2 349.482 2.175 50 0 EEAALP CC[NH+](CC)[C@@H]1CCCC[C@H]1NC(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC000065370753 802722216 /nfs/dbraw/zinc/72/22/16/802722216.db2.gz PTZGCYSALNYOEC-SJLPKXTDSA-N 2 2 347.507 2.101 50 0 EEAALP CC[NH+](CC)[C@@H]1CCCC[C@H]1NC(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC000065370753 802722223 /nfs/dbraw/zinc/72/22/23/802722223.db2.gz PTZGCYSALNYOEC-SJLPKXTDSA-N 2 2 347.507 2.101 50 0 EEAALP C[N@@H+]1CCC[C@H](C(=O)N2CCC[NH+](Cc3ccc(Cl)o3)CC2)C1 ZINC001529185058 1121360149 /nfs/dbraw/zinc/36/01/49/1121360149.db2.gz INNMZZLZVNPADM-AWEZNQCLSA-N 2 2 339.867 2.309 50 0 EEAALP C[N@H+]1CCC[C@H](C(=O)N2CCC[NH+](Cc3ccc(Cl)o3)CC2)C1 ZINC001529185058 1121360158 /nfs/dbraw/zinc/36/01/58/1121360158.db2.gz INNMZZLZVNPADM-AWEZNQCLSA-N 2 2 339.867 2.309 50 0 EEAALP C[NH+]1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(Cl)o3)CC2)C1 ZINC001529185058 1121360166 /nfs/dbraw/zinc/36/01/66/1121360166.db2.gz INNMZZLZVNPADM-AWEZNQCLSA-N 2 2 339.867 2.309 50 0 EEAALP C[NH+]1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(Cl)o3)CC2)C1 ZINC001529185058 1121360175 /nfs/dbraw/zinc/36/01/75/1121360175.db2.gz INNMZZLZVNPADM-AWEZNQCLSA-N 2 2 339.867 2.309 50 0 EEAALP Cc1cc2nc(C(C)C)cc(N3CC[NH+](CCC[NH+](C)C)CC3)n2n1 ZINC000072426990 216217139 /nfs/dbraw/zinc/21/71/39/216217139.db2.gz MGIHCCURSQHFRY-UHFFFAOYSA-N 2 2 344.507 2.235 50 0 EEAALP CCc1[nH]c(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)c(C)[nH+]1 ZINC000065396789 462764256 /nfs/dbraw/zinc/76/42/56/462764256.db2.gz QZFAWJLGJCTMRW-INIZCTEOSA-N 3 2 333.524 2.128 50 0 EEAALP CN(Cc1cccc(Cl)c1)c1cc(N2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000065456030 462773692 /nfs/dbraw/zinc/77/36/92/462773692.db2.gz FOCGJNWCRQMZTD-UHFFFAOYSA-N 2 2 346.866 2.100 50 0 EEAALP COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000012717782 462864512 /nfs/dbraw/zinc/86/45/12/462864512.db2.gz XHGBMPPQHDIKKK-OAHLLOKOSA-N 2 2 349.450 2.123 50 0 EEAALP COc1ccc(C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000012717782 462864516 /nfs/dbraw/zinc/86/45/16/462864516.db2.gz XHGBMPPQHDIKKK-OAHLLOKOSA-N 2 2 349.450 2.123 50 0 EEAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000077303663 462965663 /nfs/dbraw/zinc/96/56/63/462965663.db2.gz HPFMFBDDJHLJRA-UHFFFAOYSA-N 2 2 328.464 2.134 50 0 EEAALP CCCc1cc(C(=O)N2CCC[N@H+](CCC[NH+]3CCCC3)CC2)no1 ZINC000077380296 462977502 /nfs/dbraw/zinc/97/75/02/462977502.db2.gz UIMMQYSSMOMIAY-UHFFFAOYSA-N 2 2 348.491 2.261 50 0 EEAALP CCCc1cc(C(=O)N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)no1 ZINC000077380296 462977509 /nfs/dbraw/zinc/97/75/09/462977509.db2.gz UIMMQYSSMOMIAY-UHFFFAOYSA-N 2 2 348.491 2.261 50 0 EEAALP Cc1ccc2[nH]c(CCC(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)[nH+]c2c1C ZINC000077421534 462983720 /nfs/dbraw/zinc/98/37/20/462983720.db2.gz PXCLFLKHIUVUSL-GOEBONIOSA-N 2 2 326.444 2.275 50 0 EEAALP Cc1ccc2[nH]c(CCC(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)[nH+]c2c1C ZINC000077421534 462983721 /nfs/dbraw/zinc/98/37/21/462983721.db2.gz PXCLFLKHIUVUSL-GOEBONIOSA-N 2 2 326.444 2.275 50 0 EEAALP Nc1cc[nH+]c(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)n1 ZINC000095529505 463105627 /nfs/dbraw/zinc/10/56/27/463105627.db2.gz URZMMAKKXPGUIS-UHFFFAOYSA-N 2 2 341.444 2.144 50 0 EEAALP C[NH+]1CCC(Cc2noc(-c3coc(C[NH+]4CCOCC4)c3)n2)CC1 ZINC000096139460 463185350 /nfs/dbraw/zinc/18/53/50/463185350.db2.gz PSDUCKOWELJBTD-UHFFFAOYSA-N 2 2 346.431 2.046 50 0 EEAALP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222197444 464128061 /nfs/dbraw/zinc/12/80/61/464128061.db2.gz HVLUOIKFCLSTED-IRXDYDNUSA-N 2 2 330.476 2.462 50 0 EEAALP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222197444 464128067 /nfs/dbraw/zinc/12/80/67/464128067.db2.gz HVLUOIKFCLSTED-IRXDYDNUSA-N 2 2 330.476 2.462 50 0 EEAALP CCc1cccc(OCCN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c1 ZINC000222983065 464136185 /nfs/dbraw/zinc/13/61/85/464136185.db2.gz WAAQXBQUPQMKHG-UHFFFAOYSA-N 2 2 341.459 2.341 50 0 EEAALP C[NH+](C)Cc1ccc([C@@H]2CCCN2c2cc3nncn3c(N)[nH+]2)cc1 ZINC001529152181 1121342401 /nfs/dbraw/zinc/34/24/01/1121342401.db2.gz PUQCUKXQZRFTCC-HNNXBMFYSA-N 2 2 337.431 2.110 50 0 EEAALP Cc1[nH]c(C[N@@H+]2CC[C@@H](CNC(=O)Cc3ccc(F)cc3)C2)c[nH+]1 ZINC000067674036 215178909 /nfs/dbraw/zinc/17/89/09/215178909.db2.gz MGAWNKSYBJITAV-HNNXBMFYSA-N 2 2 330.407 2.038 50 0 EEAALP Cc1[nH]c(C[N@H+]2CC[C@@H](CNC(=O)Cc3ccc(F)cc3)C2)c[nH+]1 ZINC000067674036 215178912 /nfs/dbraw/zinc/17/89/12/215178912.db2.gz MGAWNKSYBJITAV-HNNXBMFYSA-N 2 2 330.407 2.038 50 0 EEAALP CCc1c(C)[nH+]c(C)nc1N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000217184141 539657682 /nfs/dbraw/zinc/65/76/82/539657682.db2.gz MLUYYMFRFVHTKB-GOSISDBHSA-N 2 2 340.471 2.339 50 0 EEAALP CCc1c(C)[nH+]c(C)nc1N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000217184141 539657686 /nfs/dbraw/zinc/65/76/86/539657686.db2.gz MLUYYMFRFVHTKB-GOSISDBHSA-N 2 2 340.471 2.339 50 0 EEAALP Cc1ccccc1C[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000072151776 216039071 /nfs/dbraw/zinc/03/90/71/216039071.db2.gz PRKWCUGBZXAVKE-UHFFFAOYSA-N 2 2 331.504 2.223 50 0 EEAALP Cc1[nH+]c(C[NH+]2CCC3(C[C@H](C(=O)[O-])[N@H+](C)C3)CC2)c2ccccn12 ZINC000072167579 216057938 /nfs/dbraw/zinc/05/79/38/216057938.db2.gz WAMCICJXQMHDSF-QGZVFWFLSA-N 2 2 342.443 2.014 50 0 EEAALP Cc1[nH+]c(C[NH+]2CCC3(C[C@H](C(=O)[O-])[N@@H+](C)C3)CC2)c2ccccn12 ZINC000072167579 216057940 /nfs/dbraw/zinc/05/79/40/216057940.db2.gz WAMCICJXQMHDSF-QGZVFWFLSA-N 2 2 342.443 2.014 50 0 EEAALP c1[nH]cc(CCNc2nc(C3CCCC3)nc3c2CC[NH2+]CC3)[nH+]1 ZINC000072480507 216260650 /nfs/dbraw/zinc/26/06/50/216260650.db2.gz QRTLDPSQEVTELY-UHFFFAOYSA-N 2 2 326.448 2.200 50 0 EEAALP c1[nH]c(CCNc2nc(C3CCCC3)nc3c2CC[NH2+]CC3)c[nH+]1 ZINC000072480507 216260652 /nfs/dbraw/zinc/26/06/52/216260652.db2.gz QRTLDPSQEVTELY-UHFFFAOYSA-N 2 2 326.448 2.200 50 0 EEAALP Nc1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)n1 ZINC000095392764 218323990 /nfs/dbraw/zinc/32/39/90/218323990.db2.gz MKTBUFKTHIPVFP-GFCCVEGCSA-N 2 2 341.444 2.144 50 0 EEAALP FC(F)(F)Oc1ccccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000097294819 219010215 /nfs/dbraw/zinc/01/02/15/219010215.db2.gz XXBCVWPSFMNSNI-CQSZACIVSA-N 2 2 329.366 2.065 50 0 EEAALP CCc1cc(NCc2cn3ccccc3[nH+]2)nc(N2CCOCC2)[nH+]1 ZINC000065382961 462760621 /nfs/dbraw/zinc/76/06/21/462760621.db2.gz ZXUZIGMUXWWAED-UHFFFAOYSA-N 2 2 338.415 2.135 50 0 EEAALP CC(=O)Nc1ccc([C@H]([NH3+])[C@@H]([NH3+])c2ccc(NC(C)=O)cc2)cc1 ZINC000095532361 463106938 /nfs/dbraw/zinc/10/69/38/463106938.db2.gz SBHRLHGTRPGBKR-ROUUACIJSA-N 2 2 326.400 2.303 50 0 EEAALP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nnnn3-c3ccccc3)C2)[nH+]1 ZINC000097200890 463345696 /nfs/dbraw/zinc/34/56/96/463345696.db2.gz MMFWHQWYKRPTKD-MRXNPFEDSA-N 2 2 349.442 2.300 50 0 EEAALP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nnnn3-c3ccccc3)C2)[nH+]1 ZINC000097200890 463345698 /nfs/dbraw/zinc/34/56/98/463345698.db2.gz MMFWHQWYKRPTKD-MRXNPFEDSA-N 2 2 349.442 2.300 50 0 EEAALP CO[C@]12CC[N@H+](CCc3[nH]c4ccc(C)cc4[nH+]3)[C@H]1C[C@@H](O)CC2 ZINC000299784053 465886744 /nfs/dbraw/zinc/88/67/44/465886744.db2.gz YMJQQMTVUGOGFK-UCLAIMLFSA-N 2 2 329.444 2.418 50 0 EEAALP CO[C@]12CC[N@@H+](CCc3[nH]c4ccc(C)cc4[nH+]3)[C@H]1C[C@@H](O)CC2 ZINC000299784053 465886753 /nfs/dbraw/zinc/88/67/53/465886753.db2.gz YMJQQMTVUGOGFK-UCLAIMLFSA-N 2 2 329.444 2.418 50 0 EEAALP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH+]c3ccccn23)C1 ZINC000067803245 215215390 /nfs/dbraw/zinc/21/53/90/215215390.db2.gz HKZTVIYTYDTDGX-INIZCTEOSA-N 2 2 328.460 2.361 50 0 EEAALP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Cc2c[nH+]c3ccccn23)C1 ZINC000067803245 215215393 /nfs/dbraw/zinc/21/53/93/215215393.db2.gz HKZTVIYTYDTDGX-INIZCTEOSA-N 2 2 328.460 2.361 50 0 EEAALP Cc1cc2[nH+]cn(Cc3nc([C@H]4CCC[NH2+]C4)cc(=O)[nH]3)c2cc1C ZINC000023580863 212382344 /nfs/dbraw/zinc/38/23/44/212382344.db2.gz KVMROZKJLPQVDI-AWEZNQCLSA-N 2 2 337.427 2.252 50 0 EEAALP Nc1cc(-c2cccc(C[NH+]3CCOCC3)c2)[nH+]c(N2CCCC2)n1 ZINC000215072720 241104974 /nfs/dbraw/zinc/10/49/74/241104974.db2.gz ZEGUNNHLDBXBNA-UHFFFAOYSA-N 2 2 339.443 2.158 50 0 EEAALP CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000216115786 241168683 /nfs/dbraw/zinc/16/86/83/241168683.db2.gz IKJOXESGQLPMRY-MRXNPFEDSA-N 2 2 333.457 2.129 50 0 EEAALP CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000216115786 241168687 /nfs/dbraw/zinc/16/86/87/241168687.db2.gz IKJOXESGQLPMRY-MRXNPFEDSA-N 2 2 333.457 2.129 50 0 EEAALP COc1cc(F)c(C[NH+]2CCC(N(C)CC[NH+](C)C)CC2)c(F)c1 ZINC000215507460 241129172 /nfs/dbraw/zinc/12/91/72/241129172.db2.gz YTOIAAVCTXPEDL-UHFFFAOYSA-N 2 2 341.446 2.431 50 0 EEAALP CC[NH+](CC)C[C@@H](O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019358640 212021252 /nfs/dbraw/zinc/02/12/52/212021252.db2.gz SJIABXDRMCGUGX-GOSISDBHSA-N 2 2 339.911 2.160 50 0 EEAALP CCCCN1CCc2[nH+]c[nH]c2C12CC[NH+](C[C@H]1CCOC1)CC2 ZINC000091519185 218017166 /nfs/dbraw/zinc/01/71/66/218017166.db2.gz WLPBLQLPHTUNNU-MRXNPFEDSA-N 2 2 332.492 2.396 50 0 EEAALP C[C@H](CCc1ccccc1)Nc1cc(N2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000065451875 462773375 /nfs/dbraw/zinc/77/33/75/462773375.db2.gz NPXTYYXWIJCNMO-OAHLLOKOSA-N 2 2 340.475 2.244 50 0 EEAALP Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)nc12 ZINC000065473356 462776657 /nfs/dbraw/zinc/77/66/57/462776657.db2.gz GZFXPQSOKRYMSG-INIZCTEOSA-N 2 2 349.438 2.332 50 0 EEAALP Cc1cccn2c(=O)cc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)nc12 ZINC000065473356 462776663 /nfs/dbraw/zinc/77/66/63/462776663.db2.gz GZFXPQSOKRYMSG-INIZCTEOSA-N 2 2 349.438 2.332 50 0 EEAALP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077287388 462963217 /nfs/dbraw/zinc/96/32/17/462963217.db2.gz UNOXQUOSASCSDU-IBGZPJMESA-N 2 2 331.460 2.068 50 0 EEAALP CC(=O)Nc1ccc(C[N@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077287388 462963218 /nfs/dbraw/zinc/96/32/18/462963218.db2.gz UNOXQUOSASCSDU-IBGZPJMESA-N 2 2 331.460 2.068 50 0 EEAALP C[C@H]([NH2+]Cc1cncn1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105462738 463453017 /nfs/dbraw/zinc/45/30/17/463453017.db2.gz TZOIVPLJQVJUQP-AWEZNQCLSA-N 2 2 331.439 2.162 50 0 EEAALP Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106839449 463540740 /nfs/dbraw/zinc/54/07/40/463540740.db2.gz NMVGVJYXQZGVGM-APWZRJJASA-N 2 2 342.487 2.417 50 0 EEAALP Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106839449 463540742 /nfs/dbraw/zinc/54/07/42/463540742.db2.gz NMVGVJYXQZGVGM-APWZRJJASA-N 2 2 342.487 2.417 50 0 EEAALP Cc1[nH+]ccn1CCC[N@H+]1CCc2sc(C(=O)N(C)C)cc2C1 ZINC000240662430 464448469 /nfs/dbraw/zinc/44/84/69/464448469.db2.gz PKXRNUVYVMWFMV-UHFFFAOYSA-N 2 2 332.473 2.403 50 0 EEAALP Cc1[nH+]ccn1CCC[N@@H+]1CCc2sc(C(=O)N(C)C)cc2C1 ZINC000240662430 464448473 /nfs/dbraw/zinc/44/84/73/464448473.db2.gz PKXRNUVYVMWFMV-UHFFFAOYSA-N 2 2 332.473 2.403 50 0 EEAALP c1ccc(C[NH+]2CCN(CC[N@@H+]3CCO[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000244795453 464463184 /nfs/dbraw/zinc/46/31/84/464463184.db2.gz RGSBWMPMKTZKIW-NHCUHLMSSA-N 2 2 343.515 2.448 50 0 EEAALP c1ccc(C[NH+]2CCN(CC[N@H+]3CCO[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000244795453 464463190 /nfs/dbraw/zinc/46/31/90/464463190.db2.gz RGSBWMPMKTZKIW-NHCUHLMSSA-N 2 2 343.515 2.448 50 0 EEAALP C[NH+](C)Cc1ccc([C@H]2CCCN2c2cc3nncn3c(N)[nH+]2)cc1 ZINC001529152191 1121342199 /nfs/dbraw/zinc/34/21/99/1121342199.db2.gz PUQCUKXQZRFTCC-OAHLLOKOSA-N 2 2 337.431 2.110 50 0 EEAALP c1cn2cc(C[N@H+](CCCn3cc[nH+]c3)Cc3cccnc3)cnc2n1 ZINC000055099145 214272528 /nfs/dbraw/zinc/27/25/28/214272528.db2.gz YPUYKETZVNGYEE-UHFFFAOYSA-N 2 2 347.426 2.413 50 0 EEAALP c1cn2cc(C[N@@H+](CCCn3cc[nH+]c3)Cc3cccnc3)cnc2n1 ZINC000055099145 214272530 /nfs/dbraw/zinc/27/25/30/214272530.db2.gz YPUYKETZVNGYEE-UHFFFAOYSA-N 2 2 347.426 2.413 50 0 EEAALP OCC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccsc1 ZINC000072412099 216203473 /nfs/dbraw/zinc/20/34/73/216203473.db2.gz ZJRYMQFWEKNFDK-CQSZACIVSA-N 2 2 343.456 2.093 50 0 EEAALP OCC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccsc1 ZINC000072412099 216203475 /nfs/dbraw/zinc/20/34/75/216203475.db2.gz ZJRYMQFWEKNFDK-CQSZACIVSA-N 2 2 343.456 2.093 50 0 EEAALP NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426635324 241319271 /nfs/dbraw/zinc/31/92/71/241319271.db2.gz JKPGROIPIAZVLX-SFHVURJKSA-N 2 2 337.414 2.128 50 0 EEAALP NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426635324 241319277 /nfs/dbraw/zinc/31/92/77/241319277.db2.gz JKPGROIPIAZVLX-SFHVURJKSA-N 2 2 337.414 2.128 50 0 EEAALP NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000426635324 241319281 /nfs/dbraw/zinc/31/92/81/241319281.db2.gz JKPGROIPIAZVLX-SFHVURJKSA-N 2 2 337.414 2.128 50 0 EEAALP NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000426635324 241319285 /nfs/dbraw/zinc/31/92/85/241319285.db2.gz JKPGROIPIAZVLX-SFHVURJKSA-N 2 2 337.414 2.128 50 0 EEAALP NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426635323 241320708 /nfs/dbraw/zinc/32/07/08/241320708.db2.gz JKPGROIPIAZVLX-GOSISDBHSA-N 2 2 337.414 2.128 50 0 EEAALP NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426635323 241320714 /nfs/dbraw/zinc/32/07/14/241320714.db2.gz JKPGROIPIAZVLX-GOSISDBHSA-N 2 2 337.414 2.128 50 0 EEAALP NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000426635323 241320719 /nfs/dbraw/zinc/32/07/19/241320719.db2.gz JKPGROIPIAZVLX-GOSISDBHSA-N 2 2 337.414 2.128 50 0 EEAALP NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000426635323 241320722 /nfs/dbraw/zinc/32/07/22/241320722.db2.gz JKPGROIPIAZVLX-GOSISDBHSA-N 2 2 337.414 2.128 50 0 EEAALP COCCn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)NC(C)(C)C)C1 ZINC000091586298 218025971 /nfs/dbraw/zinc/02/59/71/218025971.db2.gz QXYQQGRJKCBMIK-HNNXBMFYSA-N 2 2 336.480 2.014 50 0 EEAALP COCCn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC(=O)NC(C)(C)C)C1 ZINC000091586298 218025974 /nfs/dbraw/zinc/02/59/74/218025974.db2.gz QXYQQGRJKCBMIK-HNNXBMFYSA-N 2 2 336.480 2.014 50 0 EEAALP Cc1ccn(-c2cc[nH+]c(N3CCC([NH+]4CCCCC4)CC3)n2)n1 ZINC000057508350 132200856 /nfs/dbraw/zinc/20/08/56/132200856.db2.gz SFVCIYWDMUQERA-UHFFFAOYSA-N 2 2 326.448 2.425 50 0 EEAALP O=C(NCC1(Cn2cc[nH+]c2)CC1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000063857522 462678554 /nfs/dbraw/zinc/67/85/54/462678554.db2.gz GSMNBFFUCXUXQY-INIZCTEOSA-N 2 2 342.443 2.285 50 0 EEAALP O=C(NCC1(Cn2cc[nH+]c2)CC1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000063857522 462678560 /nfs/dbraw/zinc/67/85/60/462678560.db2.gz GSMNBFFUCXUXQY-INIZCTEOSA-N 2 2 342.443 2.285 50 0 EEAALP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000108365217 463601940 /nfs/dbraw/zinc/60/19/40/463601940.db2.gz FZDPLTXZWIVTFK-DLBZAZTESA-N 2 2 327.428 2.196 50 0 EEAALP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000108365217 463601945 /nfs/dbraw/zinc/60/19/45/463601945.db2.gz FZDPLTXZWIVTFK-DLBZAZTESA-N 2 2 327.428 2.196 50 0 EEAALP NC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000108464641 463605142 /nfs/dbraw/zinc/60/51/42/463605142.db2.gz XTFKOWXRGJESCT-BPQIPLTHSA-N 2 2 339.439 2.379 50 0 EEAALP NC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000108464641 463605146 /nfs/dbraw/zinc/60/51/46/463605146.db2.gz XTFKOWXRGJESCT-BPQIPLTHSA-N 2 2 339.439 2.379 50 0 EEAALP CCC[NH+](CCC)Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000055090360 214272543 /nfs/dbraw/zinc/27/25/43/214272543.db2.gz BJWGOMKZVLFEGP-UHFFFAOYSA-N 2 2 347.503 2.371 50 0 EEAALP c1cn(CCCNc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)c[nH+]1 ZINC000067675839 215181840 /nfs/dbraw/zinc/18/18/40/215181840.db2.gz NRMAHKFIRSGKSV-UHFFFAOYSA-N 2 2 334.427 2.488 50 0 EEAALP Cc1cc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)no1 ZINC000095385195 218316758 /nfs/dbraw/zinc/31/67/58/218316758.db2.gz MXTGMSJLTFYIDM-UHFFFAOYSA-N 2 2 345.447 2.151 50 0 EEAALP Cc1[nH]ccc1C(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095391873 218324324 /nfs/dbraw/zinc/32/43/24/218324324.db2.gz ACJOOJWHNDLQLX-INIZCTEOSA-N 2 2 343.475 2.491 50 0 EEAALP Cc1cc(N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)nc(-c2ccccc2)[nH+]1 ZINC000065461909 462774743 /nfs/dbraw/zinc/77/47/43/462774743.db2.gz HLTSSDFGDYITEW-ROUUACIJSA-N 2 2 338.455 2.487 50 0 EEAALP CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200512 463344996 /nfs/dbraw/zinc/34/49/96/463344996.db2.gz IKOYGVSEPSLBEF-SFHVURJKSA-N 2 2 338.455 2.474 50 0 EEAALP CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200512 463345001 /nfs/dbraw/zinc/34/50/01/463345001.db2.gz IKOYGVSEPSLBEF-SFHVURJKSA-N 2 2 338.455 2.474 50 0 EEAALP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)c3nccs3)C2)[nH+]1 ZINC000097200538 463346083 /nfs/dbraw/zinc/34/60/83/463346083.db2.gz OIRYGNOGXABFOJ-CQSZACIVSA-N 2 2 345.472 2.243 50 0 EEAALP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N(C)c3nccs3)C2)[nH+]1 ZINC000097200538 463346085 /nfs/dbraw/zinc/34/60/85/463346085.db2.gz OIRYGNOGXABFOJ-CQSZACIVSA-N 2 2 345.472 2.243 50 0 EEAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000244816898 535050136 /nfs/dbraw/zinc/05/01/36/535050136.db2.gz SQMFHIYFXIWDCH-GOSISDBHSA-N 2 2 340.471 2.472 50 0 EEAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000244816898 535050142 /nfs/dbraw/zinc/05/01/42/535050142.db2.gz SQMFHIYFXIWDCH-GOSISDBHSA-N 2 2 340.471 2.472 50 0 EEAALP COc1ccc(C[NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)c(OC)c1 ZINC000063883726 462680419 /nfs/dbraw/zinc/68/04/19/462680419.db2.gz NXFOSILVIRNLRL-RTBURBONSA-N 2 2 334.460 2.173 50 0 EEAALP COc1ccc(C[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)c(OC)c1 ZINC000063883726 462680423 /nfs/dbraw/zinc/68/04/23/462680423.db2.gz NXFOSILVIRNLRL-RTBURBONSA-N 2 2 334.460 2.173 50 0 EEAALP c1ccc2[nH+]c(C[C@H]3CCCN(c4ncnc5c4CC[NH2+]C5)C3)[nH]c2c1 ZINC000067867548 463060180 /nfs/dbraw/zinc/06/01/80/463060180.db2.gz IOVOVCDRGGHAAE-CQSZACIVSA-N 2 2 348.454 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CCn1c(C[N@@H+](C)Cc2cccc(OC)c2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244647036 535981221 /nfs/dbraw/zinc/98/12/21/535981221.db2.gz GTWXCZKVXOUZKW-GASCZTMLSA-N 2 2 329.448 2.143 50 0 EEAALP C[NH+](C)CC(C)(C)C[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000003310787 210002806 /nfs/dbraw/zinc/00/28/06/210002806.db2.gz XYSGAHUOPCMFBL-UHFFFAOYSA-N 2 2 343.374 2.124 50 0 EEAALP Cc1[nH+]ccn1-c1ccc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cc1 ZINC000222495130 539658212 /nfs/dbraw/zinc/65/82/12/539658212.db2.gz KRUMJWXJCJKZCG-UHFFFAOYSA-N 3 2 349.442 2.370 50 0 EEAALP C[N@H+](Cc1[nH]nc2c1CCCCC2)C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000067805633 215218212 /nfs/dbraw/zinc/21/82/12/215218212.db2.gz GUILGCQLHJATLD-WOJBJXKFSA-N 2 2 346.519 2.490 50 0 EEAALP C[N@@H+](Cc1[nH]nc2c1CCCCC2)C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000067805633 215218214 /nfs/dbraw/zinc/21/82/14/215218214.db2.gz GUILGCQLHJATLD-WOJBJXKFSA-N 2 2 346.519 2.490 50 0 EEAALP C[NH+](Cc1[nH]nc2c1CCCCC2)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000067805633 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2.275 50 0 EEAALP CCc1[nH+]c2ccccc2n1CCC(=O)N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091625209 218034647 /nfs/dbraw/zinc/03/46/47/218034647.db2.gz GMYUXUCKTQDYNS-CABCVRRESA-N 2 2 326.444 2.185 50 0 EEAALP C[NH+](C)C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3Cl)c2)C[C@@H]1CO ZINC000091678849 218045234 /nfs/dbraw/zinc/04/52/34/218045234.db2.gz FORNJXMIANBCFI-HZPDHXFCSA-N 2 2 348.878 2.128 50 0 EEAALP C[NH+](C)C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3Cl)c2)C[C@@H]1CO ZINC000091678849 218045237 /nfs/dbraw/zinc/04/52/37/218045237.db2.gz FORNJXMIANBCFI-HZPDHXFCSA-N 2 2 348.878 2.128 50 0 EEAALP Cn1cc[nH+]c1C1CCN(C(=O)C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000091951355 218094032 /nfs/dbraw/zinc/09/40/32/218094032.db2.gz OGIIUJPOXZPPIN-UHFFFAOYSA-N 2 2 344.434 2.397 50 0 EEAALP Cn1cc[nH+]c1C1CCN(C(=O)C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000091951355 218094034 /nfs/dbraw/zinc/09/40/34/218094034.db2.gz OGIIUJPOXZPPIN-UHFFFAOYSA-N 2 2 344.434 2.397 50 0 EEAALP Cc1cnc(C)c(N2CCC[C@@H](c3[nH+]ccn3CC[NH+](C)C)C2)n1 ZINC000095390292 218321651 /nfs/dbraw/zinc/32/16/51/218321651.db2.gz YXSFTDQWOZIPMV-MRXNPFEDSA-N 2 2 328.464 2.236 50 0 EEAALP Cc1[nH+]ccn1[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000055060793 258060994 /nfs/dbraw/zinc/06/09/94/258060994.db2.gz PCVLZXWRKOEKDH-AWEZNQCLSA-N 2 2 330.407 2.236 50 0 EEAALP COc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)nc(N)[nH+]1 ZINC001529107283 1121317354 /nfs/dbraw/zinc/31/73/54/1121317354.db2.gz YNGHTXBRESKDFG-ZDUSSCGKSA-N 2 2 331.395 2.283 50 0 EEAALP COc1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc(N)[nH+]1 ZINC001529107283 1121317363 /nfs/dbraw/zinc/31/73/63/1121317363.db2.gz YNGHTXBRESKDFG-ZDUSSCGKSA-N 2 2 331.395 2.283 50 0 EEAALP CNc1nc(N[C@@H]2CCC[N@H+](Cc3ccccn3)C2)[nH+]c2c1CCC2 ZINC000072408715 216199736 /nfs/dbraw/zinc/19/97/36/216199736.db2.gz DLTCZCGYWVRSIP-OAHLLOKOSA-N 2 2 338.459 2.479 50 0 EEAALP CNc1nc(N[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)[nH+]c2c1CCC2 ZINC000072408715 216199737 /nfs/dbraw/zinc/19/97/37/216199737.db2.gz DLTCZCGYWVRSIP-OAHLLOKOSA-N 2 2 338.459 2.479 50 0 EEAALP CN(CCOc1cccc(Cl)c1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219301605 241377684 /nfs/dbraw/zinc/37/76/84/241377684.db2.gz ZGHHOMQABWHDNU-UHFFFAOYSA-N 2 2 347.850 2.432 50 0 EEAALP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000020100372 212100731 /nfs/dbraw/zinc/10/07/31/212100731.db2.gz AEOFTVGVLXPINM-UHFFFAOYSA-N 2 2 335.879 2.326 50 0 EEAALP O[C@]12CC[NH2+]C[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)cc1F)CC2 ZINC000091858741 218078823 /nfs/dbraw/zinc/07/88/23/218078823.db2.gz FUJDHMYVKZDOGZ-ZFWWWQNUSA-N 2 2 332.341 2.391 50 0 EEAALP O[C@]12CC[NH2+]C[C@H]1C[N@@H+](Cc1ccc(C(F)(F)F)cc1F)CC2 ZINC000091858741 218078825 /nfs/dbraw/zinc/07/88/25/218078825.db2.gz FUJDHMYVKZDOGZ-ZFWWWQNUSA-N 2 2 332.341 2.391 50 0 EEAALP Nc1cc[nH+]c(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)n1 ZINC000095378375 218311130 /nfs/dbraw/zinc/31/11/30/218311130.db2.gz JHCVWGHZFSCEHR-AWEZNQCLSA-N 2 2 335.415 2.083 50 0 EEAALP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077377113 462976013 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CC(C)Oc1cc(NC2CC[NH+](Cc3cccnc3)CC2)nc(N)[nH+]1 ZINC000065460807 462774444 /nfs/dbraw/zinc/77/44/44/462774444.db2.gz GTNPTSZGZGDKDH-UHFFFAOYSA-N 2 2 342.447 2.318 50 0 EEAALP CCCn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000534586789 468265610 /nfs/dbraw/zinc/26/56/10/468265610.db2.gz QECJYWCVNAORJT-OAHLLOKOSA-N 2 2 330.432 2.415 50 0 EEAALP CCCn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000534586789 468265616 /nfs/dbraw/zinc/26/56/16/468265616.db2.gz QECJYWCVNAORJT-OAHLLOKOSA-N 2 2 330.432 2.415 50 0 EEAALP CC(C)(C)c1ccc(C(=O)CCC[N@@H+]2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)cc1 ZINC001772710753 1179301563 /nfs/dbraw/zinc/30/15/63/1179301563.db2.gz OOCFMJYZZHLGPI-RXVVDRJESA-N 2 2 344.499 2.461 50 0 EEAALP CC(C)(C)c1ccc(C(=O)CCC[N@H+]2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)cc1 ZINC001772710753 1179301573 /nfs/dbraw/zinc/30/15/73/1179301573.db2.gz OOCFMJYZZHLGPI-RXVVDRJESA-N 2 2 344.499 2.461 50 0 EEAALP CSc1cccc(CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C(C)C)c1 ZINC001506404022 1114596985 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2.037 50 0 EEAALP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011668076 211234272 /nfs/dbraw/zinc/23/42/72/211234272.db2.gz OMRUVZXWKIFBEA-KRWDZBQOSA-N 2 2 342.487 2.037 50 0 EEAALP O=C(C[NH+]1Cc2ccccc2C1)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000299786493 258093814 /nfs/dbraw/zinc/09/38/14/258093814.db2.gz MGECKDZOMCPEKR-INIZCTEOSA-N 2 2 327.472 2.383 50 0 EEAALP O=C(C[NH+]1Cc2ccccc2C1)NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000299786493 258093815 /nfs/dbraw/zinc/09/38/15/258093815.db2.gz MGECKDZOMCPEKR-INIZCTEOSA-N 2 2 327.472 2.383 50 0 EEAALP O=C1OC2(CN1CCc1ccccc1)CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC000072470577 258065085 /nfs/dbraw/zinc/06/50/85/258065085.db2.gz MFUMJRVVVKELPE-SFHVURJKSA-N 2 2 343.471 2.268 50 0 EEAALP Cc1cccc(N2CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)[nH+]1 ZINC000020599646 463029303 /nfs/dbraw/zinc/02/93/03/463029303.db2.gz UZDQPZUYGBFPSB-MRXNPFEDSA-N 2 2 325.412 2.352 50 0 EEAALP COCCn1cc[nH+]c1C1CCN(c2cc(N)[nH+]c(SC)n2)CC1 ZINC000095502953 463095792 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EEAALP O[C@@H](COc1ccc(F)cc1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000225342932 464156081 /nfs/dbraw/zinc/15/60/81/464156081.db2.gz CZNBAPLUMJUZPN-NVXWUHKLSA-N 2 2 345.418 2.394 50 0 EEAALP C[N@@H+]1CCc2ncnc(N3C[C@H]4CC[NH+](Cc5ccccc5)[C@H]4C3)c2C1 ZINC000248095723 464729019 /nfs/dbraw/zinc/72/90/19/464729019.db2.gz YABLODMZIQCXQM-XLIONFOSSA-N 2 2 349.482 2.175 50 0 EEAALP C[N@H+]1CCc2ncnc(N3C[C@H]4CC[NH+](Cc5ccccc5)[C@H]4C3)c2C1 ZINC000248095723 464729028 /nfs/dbraw/zinc/72/90/28/464729028.db2.gz YABLODMZIQCXQM-XLIONFOSSA-N 2 2 349.482 2.175 50 0 EEAALP C[NH+]1CCc2ncnc(N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)c2C1 ZINC000248095723 464729033 /nfs/dbraw/zinc/72/90/33/464729033.db2.gz YABLODMZIQCXQM-XLIONFOSSA-N 2 2 349.482 2.175 50 0 EEAALP C[NH+]1CCc2ncnc(N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)c2C1 ZINC000248095723 464729039 /nfs/dbraw/zinc/72/90/39/464729039.db2.gz YABLODMZIQCXQM-XLIONFOSSA-N 2 2 349.482 2.175 50 0 EEAALP CCC[C@]1(CO)C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC001616081748 1367034754 /nfs/dbraw/zinc/03/47/54/1367034754.db2.gz TVOWUMIUWNQIOY-LEWJYISDSA-N 2 2 346.515 2.496 50 0 EEAALP CCC[C@]1(CO)C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC001616081748 1367034763 /nfs/dbraw/zinc/03/47/63/1367034763.db2.gz TVOWUMIUWNQIOY-LEWJYISDSA-N 2 2 346.515 2.496 50 0 EEAALP CO[C@H](C)c1cccc(-c2cc(N3CC[NH+](C)CC3)nc(N)[nH+]2)c1 ZINC000097681926 219047683 /nfs/dbraw/zinc/04/76/83/219047683.db2.gz WNEWUDBGJGSMCF-CYBMUJFWSA-N 2 2 327.432 2.185 50 0 EEAALP CC(C)(CN1CC[NH+](Cc2cccc(F)c2)CC1)C[NH+]1CCOCC1 ZINC000072133890 216023995 /nfs/dbraw/zinc/02/39/95/216023995.db2.gz BYGULRUKFGOIDG-UHFFFAOYSA-N 2 2 349.494 2.302 50 0 EEAALP Cc1[nH+]c(C[NH+]2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)c2ccccn12 ZINC000072167580 216057686 /nfs/dbraw/zinc/05/76/86/216057686.db2.gz WAMCICJXQMHDSF-KRWDZBQOSA-N 2 2 342.443 2.014 50 0 EEAALP Cc1[nH+]c(C[NH+]2CCC3(C[C@@H](C(=O)[O-])[N@@H+](C)C3)CC2)c2ccccn12 ZINC000072167580 216057689 /nfs/dbraw/zinc/05/76/89/216057689.db2.gz WAMCICJXQMHDSF-KRWDZBQOSA-N 2 2 342.443 2.014 50 0 EEAALP CCCCOc1c(C[N@@H+]2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)cccc1OC ZINC000091998024 218102216 /nfs/dbraw/zinc/10/22/16/218102216.db2.gz COFDACNEDYSGSV-PXNSSMCTSA-N 2 2 348.487 2.420 50 0 EEAALP CCCCOc1c(C[N@H+]2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)cccc1OC ZINC000091998024 218102219 /nfs/dbraw/zinc/10/22/19/218102219.db2.gz COFDACNEDYSGSV-PXNSSMCTSA-N 2 2 348.487 2.420 50 0 EEAALP Cn1cccc1C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095355164 218289398 /nfs/dbraw/zinc/28/93/98/218289398.db2.gz LVNIGSJWZAHKQV-UHFFFAOYSA-N 2 2 343.475 2.193 50 0 EEAALP [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-n3cc[nH+]c3)cc2)N1 ZINC000007128240 258052639 /nfs/dbraw/zinc/05/26/39/258052639.db2.gz GPEVYNMDFIMTQX-INIZCTEOSA-N 2 2 329.367 2.318 50 0 EEAALP Cc1[nH+]ccn1[C@H](C)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000055060794 258061147 /nfs/dbraw/zinc/06/11/47/258061147.db2.gz PCVLZXWRKOEKDH-CQSZACIVSA-N 2 2 330.407 2.236 50 0 EEAALP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000012816562 462870821 /nfs/dbraw/zinc/87/08/21/462870821.db2.gz AAEIDFDFTGOWCY-YOEHRIQHSA-N 2 2 333.476 2.435 50 0 EEAALP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000012816562 462870824 /nfs/dbraw/zinc/87/08/24/462870824.db2.gz AAEIDFDFTGOWCY-YOEHRIQHSA-N 2 2 333.476 2.435 50 0 EEAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3nnnn3-c3ccccc3)C2)c1 ZINC000097200725 463345626 /nfs/dbraw/zinc/34/56/26/463345626.db2.gz RDYQZNDAMQZHNF-INIZCTEOSA-N 2 2 349.442 2.300 50 0 EEAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3nnnn3-c3ccccc3)C2)c1 ZINC000097200725 463345630 /nfs/dbraw/zinc/34/56/30/463345630.db2.gz RDYQZNDAMQZHNF-INIZCTEOSA-N 2 2 349.442 2.300 50 0 EEAALP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3ccc(C)c[nH+]3)C2)on1 ZINC000225343689 464156542 /nfs/dbraw/zinc/15/65/42/464156542.db2.gz BZDHZXJUGUZBAZ-HUUCEWRRSA-N 2 2 343.431 2.447 50 0 EEAALP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3ccc(C)c[nH+]3)C2)on1 ZINC000225343689 464156546 /nfs/dbraw/zinc/15/65/46/464156546.db2.gz BZDHZXJUGUZBAZ-HUUCEWRRSA-N 2 2 343.431 2.447 50 0 EEAALP Cc1[nH+]c2ccc(Cl)cn2c1CN1CCOC[C@@H](C[NH+](C)C)C1 ZINC000584893135 468957548 /nfs/dbraw/zinc/95/75/48/468957548.db2.gz AGIWRWJXWNQTRI-AWEZNQCLSA-N 2 2 336.867 2.306 50 0 EEAALP COc1cc(C[NH+]2CCOCC2)ccc1OCC[NH+]1CCCCC1 ZINC000215506187 536763289 /nfs/dbraw/zinc/76/32/89/536763289.db2.gz VBRNMGWJBZOMFY-UHFFFAOYSA-N 2 2 334.460 2.392 50 0 EEAALP Cc1nc(-c2ccccc2)[nH]c1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC000020204400 1229483498 /nfs/dbraw/zinc/48/34/98/1229483498.db2.gz NOMACBWPHYTLMD-UHFFFAOYSA-N 2 2 341.503 2.454 50 0 EEAALP c1cc(-c2n[nH]c(C[NH2+]C3CCC4(CC[NH2+]CC4)CC3)n2)ccn1 ZINC000067691480 215185685 /nfs/dbraw/zinc/18/56/85/215185685.db2.gz TYPORVLJMYMLEI-UHFFFAOYSA-N 2 2 326.448 2.269 50 0 EEAALP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000023624097 212385657 /nfs/dbraw/zinc/38/56/57/212385657.db2.gz CUOTYXSYJGSYNC-WMZOPIPTSA-N 2 2 333.476 2.350 50 0 EEAALP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000023624097 212385661 /nfs/dbraw/zinc/38/56/61/212385661.db2.gz CUOTYXSYJGSYNC-WMZOPIPTSA-N 2 2 333.476 2.350 50 0 EEAALP CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)CC(C)(C)C[NH+]1CCOCC1 ZINC000215316405 241119532 /nfs/dbraw/zinc/11/95/32/241119532.db2.gz HKZMVVJLYLQKGT-HXUWFJFHSA-N 2 2 345.531 2.333 50 0 EEAALP CN(C[C@H]1Cc2ccccc2C[N@H+]1C)CC(C)(C)C[NH+]1CCOCC1 ZINC000215316405 241119535 /nfs/dbraw/zinc/11/95/35/241119535.db2.gz HKZMVVJLYLQKGT-HXUWFJFHSA-N 2 2 345.531 2.333 50 0 EEAALP CC(C)[NH+]1CCC(CNC(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)CC1 ZINC000426674297 241325708 /nfs/dbraw/zinc/32/57/08/241325708.db2.gz OWWIWMXMPAIWEW-SFHVURJKSA-N 2 2 347.507 2.425 50 0 EEAALP C[N@@H+]1CCCN(C(=O)c2cc3cc(F)ccc3o2)CC12CC[NH2+]CC2 ZINC000426428413 241283637 /nfs/dbraw/zinc/28/36/37/241283637.db2.gz VLDDLYHURDAHCC-UHFFFAOYSA-N 2 2 345.418 2.472 50 0 EEAALP C[N@H+]1CCCN(C(=O)c2cc3cc(F)ccc3o2)CC12CC[NH2+]CC2 ZINC000426428413 241283645 /nfs/dbraw/zinc/28/36/45/241283645.db2.gz VLDDLYHURDAHCC-UHFFFAOYSA-N 2 2 345.418 2.472 50 0 EEAALP Cc1nc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C3CC3)CC2)co1 ZINC000082099767 217465933 /nfs/dbraw/zinc/46/59/33/217465933.db2.gz SINAZQWLKQSOJK-UHFFFAOYSA-N 2 2 344.463 2.351 50 0 EEAALP Cc1ccc(NCCC[NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)[nH+]c1 ZINC000063834580 462675943 /nfs/dbraw/zinc/67/59/43/462675943.db2.gz QMQIZIAGBIXORR-IEBWSBKVSA-N 3 2 332.492 2.161 50 0 EEAALP Cc1ccc(NCCC[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)[nH+]c1 ZINC000063834580 462675950 /nfs/dbraw/zinc/67/59/50/462675950.db2.gz QMQIZIAGBIXORR-IEBWSBKVSA-N 3 2 332.492 2.161 50 0 EEAALP C[N@H+](CC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(F)cc1 ZINC000006976725 462715187 /nfs/dbraw/zinc/71/51/87/462715187.db2.gz HQBXOWFXUIHYNU-UHFFFAOYSA-N 2 2 342.418 2.001 50 0 EEAALP C[N@@H+](CC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(F)cc1 ZINC000006976725 462715194 /nfs/dbraw/zinc/71/51/94/462715194.db2.gz HQBXOWFXUIHYNU-UHFFFAOYSA-N 2 2 342.418 2.001 50 0 EEAALP Nc1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)n1 ZINC000095529952 463105843 /nfs/dbraw/zinc/10/58/43/463105843.db2.gz WMPSUGVRBHYXHI-OAHLLOKOSA-N 2 2 335.415 2.083 50 0 EEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2cccs2)[nH+]c(C)n1 ZINC000035598157 213041446 /nfs/dbraw/zinc/04/14/46/213041446.db2.gz SQAPEOPWKVCYDM-UHFFFAOYSA-N 2 2 342.428 2.183 50 0 EEAALP COc1cccc(-c2ncc(C[N@@H+]3CC[C@](O)(C[NH+](C)C)C3)s2)c1 ZINC000072470263 216249138 /nfs/dbraw/zinc/24/91/38/216249138.db2.gz LLAMRHISHYMCKR-SFHVURJKSA-N 2 2 347.484 2.317 50 0 EEAALP COc1cccc(-c2ncc(C[N@H+]3CC[C@](O)(C[NH+](C)C)C3)s2)c1 ZINC000072470263 216249140 /nfs/dbraw/zinc/24/91/40/216249140.db2.gz LLAMRHISHYMCKR-SFHVURJKSA-N 2 2 347.484 2.317 50 0 EEAALP c1cn(-c2ccc(-c3c[nH]c[nH+]3)cc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072480517 216260643 /nfs/dbraw/zinc/26/06/43/216260643.db2.gz UGEBVQIKLWKEJJ-UHFFFAOYSA-N 2 2 331.383 2.229 50 0 EEAALP COCCn1cc[nH+]c1C1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000091664048 218042811 /nfs/dbraw/zinc/04/28/11/218042811.db2.gz PJVYDVRGJHTITP-UHFFFAOYSA-N 2 2 337.855 2.259 50 0 EEAALP CN1C[C@@]2(CC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)OC1=O ZINC000072423150 277201185 /nfs/dbraw/zinc/20/11/85/277201185.db2.gz ZVMZZFAOAMEUQG-HXUWFJFHSA-N 2 2 343.471 2.220 50 0 EEAALP CN1C[C@@]2(CC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)OC1=O ZINC000072423150 277201186 /nfs/dbraw/zinc/20/11/86/277201186.db2.gz ZVMZZFAOAMEUQG-HXUWFJFHSA-N 2 2 343.471 2.220 50 0 EEAALP CN(CCCc1[nH+]ccn1C)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095520354 463102252 /nfs/dbraw/zinc/10/22/52/463102252.db2.gz BKMJJASRMNKJFI-MRXNPFEDSA-N 2 2 344.459 2.316 50 0 EEAALP CN(CCCc1[nH+]ccn1C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095520354 463102259 /nfs/dbraw/zinc/10/22/59/463102259.db2.gz BKMJJASRMNKJFI-MRXNPFEDSA-N 2 2 344.459 2.316 50 0 EEAALP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CNc3ccc(C)c[nH+]3)C2)on1 ZINC000097200787 463345651 /nfs/dbraw/zinc/34/56/51/463345651.db2.gz UJOCBGSADGNSIJ-AWEZNQCLSA-N 2 2 329.404 2.059 50 0 EEAALP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CNc3ccc(C)c[nH+]3)C2)on1 ZINC000097200787 463345654 /nfs/dbraw/zinc/34/56/54/463345654.db2.gz UJOCBGSADGNSIJ-AWEZNQCLSA-N 2 2 329.404 2.059 50 0 EEAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)NCc3ccco3)C2)c1 ZINC000097200687 463346567 /nfs/dbraw/zinc/34/65/67/463346567.db2.gz YVXICOLLMICZHO-HNNXBMFYSA-N 2 2 328.416 2.033 50 0 EEAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)NCc3ccco3)C2)c1 ZINC000097200687 463346573 /nfs/dbraw/zinc/34/65/73/463346573.db2.gz YVXICOLLMICZHO-HNNXBMFYSA-N 2 2 328.416 2.033 50 0 EEAALP CC(C)n1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000108084756 463590162 /nfs/dbraw/zinc/59/01/62/463590162.db2.gz LZDYSDCXJJUNHH-PMACEKPBSA-N 2 2 342.487 2.437 50 0 EEAALP CC(C)n1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000108084756 463590167 /nfs/dbraw/zinc/59/01/67/463590167.db2.gz LZDYSDCXJJUNHH-PMACEKPBSA-N 2 2 342.487 2.437 50 0 EEAALP C[C@@H]1C(=O)N2CCC[C@@H]2C[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001772814030 1410371934 /nfs/dbraw/zinc/37/19/34/1410371934.db2.gz GAXMKNBQSKGSJV-SJLPKXTDSA-N 2 2 345.487 2.212 50 0 EEAALP C[C@@H]1C(=O)N2CCC[C@@H]2C[N@@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001772814030 1410371942 /nfs/dbraw/zinc/37/19/42/1410371942.db2.gz GAXMKNBQSKGSJV-SJLPKXTDSA-N 2 2 345.487 2.212 50 0 EEAALP CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000072420070 216208691 /nfs/dbraw/zinc/20/86/91/216208691.db2.gz QWSNDCGQWMXSDJ-PKOBYXMFSA-N 2 2 327.472 2.204 50 0 EEAALP CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000072420070 216208693 /nfs/dbraw/zinc/20/86/93/216208693.db2.gz QWSNDCGQWMXSDJ-PKOBYXMFSA-N 2 2 327.472 2.204 50 0 EEAALP CCOc1cccc(CN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c1 ZINC000219321768 241379740 /nfs/dbraw/zinc/37/97/40/241379740.db2.gz HNIHCYYDPKQTMB-UHFFFAOYSA-N 2 2 327.432 2.299 50 0 EEAALP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000019809468 212070939 /nfs/dbraw/zinc/07/09/39/212070939.db2.gz ZDDFQTYJZVKMGZ-UHFFFAOYSA-N 2 2 335.879 2.326 50 0 EEAALP C[C@@H](CC(=O)N1CC[NH+](CCOc2ccccc2)CC1)n1cc[nH+]c1 ZINC000091664369 218043700 /nfs/dbraw/zinc/04/37/00/218043700.db2.gz YFWUIQMVRYCXOO-KRWDZBQOSA-N 2 2 342.443 2.057 50 0 EEAALP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000007779717 462750709 /nfs/dbraw/zinc/75/07/09/462750709.db2.gz IGWSDHVZPJTBNU-CQSZACIVSA-N 2 2 334.464 2.294 50 0 EEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1cccc3cccnc31)CC[N@@H+]2C ZINC000067713758 463042580 /nfs/dbraw/zinc/04/25/80/463042580.db2.gz NIZMZDMDQAETKQ-UHFFFAOYSA-N 2 2 338.455 2.087 50 0 EEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1cccc3cccnc31)CC[N@H+]2C ZINC000067713758 463042584 /nfs/dbraw/zinc/04/25/84/463042584.db2.gz NIZMZDMDQAETKQ-UHFFFAOYSA-N 2 2 338.455 2.087 50 0 EEAALP COC(=O)c1cc2c(n1C)C[N@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)CC2 ZINC000072168624 463482175 /nfs/dbraw/zinc/48/21/75/463482175.db2.gz RTBZCFCUWDDXDA-DLBZAZTESA-N 2 2 345.487 2.434 50 0 EEAALP COC(=O)c1cc2c(n1C)C[N@@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)CC2 ZINC000072168624 463482182 /nfs/dbraw/zinc/48/21/82/463482182.db2.gz RTBZCFCUWDDXDA-DLBZAZTESA-N 2 2 345.487 2.434 50 0 EEAALP COC(=O)c1cc2c(n1C)C[NH+](C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000072168624 463482186 /nfs/dbraw/zinc/48/21/86/463482186.db2.gz RTBZCFCUWDDXDA-DLBZAZTESA-N 2 2 345.487 2.434 50 0 EEAALP COC(=O)c1cc2c(n1C)C[NH+](C[C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000072168624 463482190 /nfs/dbraw/zinc/48/21/90/463482190.db2.gz RTBZCFCUWDDXDA-DLBZAZTESA-N 2 2 345.487 2.434 50 0 EEAALP COc1ccccc1CCCNc1cc([C@H]2C[C@H]([NH3+])C2)[nH+]c(N)n1 ZINC000223748251 464147059 /nfs/dbraw/zinc/14/70/59/464147059.db2.gz HHZZMMCZKCISSR-OKILXGFUSA-N 2 2 327.432 2.317 50 0 EEAALP COc1cc(F)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1OC ZINC000651845036 471141591 /nfs/dbraw/zinc/14/15/91/471141591.db2.gz BBQDVGPVXVVBRM-UHFFFAOYSA-N 2 2 338.423 2.140 50 0 EEAALP COc1cc(F)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1OC ZINC000651845036 471141594 /nfs/dbraw/zinc/14/15/94/471141594.db2.gz BBQDVGPVXVVBRM-UHFFFAOYSA-N 2 2 338.423 2.140 50 0 EEAALP COc1ccc([C@H]2NC(=[NH2+])NC(=[NH2+])N2c2ccc(Cl)cc2)cc1 ZINC000000046884 525428182 /nfs/dbraw/zinc/42/81/82/525428182.db2.gz TVBZVYXACAHJBC-AWEZNQCLSA-N 2 2 329.791 2.497 50 0 EEAALP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000072279194 201173347 /nfs/dbraw/zinc/17/33/47/201173347.db2.gz ZCGYLBHHARZHRQ-MSOLQXFVSA-N 2 2 338.455 2.287 50 0 EEAALP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000072279194 201173350 /nfs/dbraw/zinc/17/33/50/201173350.db2.gz ZCGYLBHHARZHRQ-MSOLQXFVSA-N 2 2 338.455 2.287 50 0 EEAALP Cc1[nH+]ccn1CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccn2)CC1 ZINC000244715995 243067459 /nfs/dbraw/zinc/06/74/59/243067459.db2.gz LGNDOPJNCXGVQW-AWEZNQCLSA-N 2 2 327.432 2.326 50 0 EEAALP CN(Cc1ccoc1)c1ncnc2c1CC[N@H+](Cc1c[nH+]c[nH]1)CC2 ZINC000072475295 203230127 /nfs/dbraw/zinc/23/01/27/203230127.db2.gz QJJCOIUZMCBEBF-UHFFFAOYSA-N 2 2 338.415 2.030 50 0 EEAALP CN(Cc1ccoc1)c1ncnc2c1CC[N@@H+](Cc1c[nH+]c[nH]1)CC2 ZINC000072475295 203230129 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Cc1ccc(OCCN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c(C)c1 ZINC000223356217 464142341 /nfs/dbraw/zinc/14/23/41/464142341.db2.gz BJCQCMQSLPMPRA-UHFFFAOYSA-N 2 2 341.459 2.396 50 0 EEAALP C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000108056986 490598609 /nfs/dbraw/zinc/59/86/09/490598609.db2.gz KEYNKXAIHAJYQA-BZUAXINKSA-N 2 2 342.443 2.159 50 0 EEAALP C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222198980 201033816 /nfs/dbraw/zinc/03/38/16/201033816.db2.gz SHXLEMUEQVQWGM-STQMWFEESA-N 2 2 331.445 2.299 50 0 EEAALP C[C@@H](C(=O)Nc1nccs1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222198980 201033818 /nfs/dbraw/zinc/03/38/18/201033818.db2.gz SHXLEMUEQVQWGM-STQMWFEESA-N 2 2 331.445 2.299 50 0 EEAALP COCCCC[NH+]1CCN(C(=O)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000095391942 463073072 /nfs/dbraw/zinc/07/30/72/463073072.db2.gz SYGZGZGNHMQJOV-IBGZPJMESA-N 2 2 347.503 2.169 50 0 EEAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+][C@H](C)c2nnc(C)[nH]2)CC1 ZINC000095521175 463101696 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CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000077299070 462964736 /nfs/dbraw/zinc/96/47/36/462964736.db2.gz ALZTZUBQISHHEU-UHFFFAOYSA-N 2 2 328.464 2.134 50 0 EEAALP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)c(C)c1 ZINC000095506152 463098354 /nfs/dbraw/zinc/09/83/54/463098354.db2.gz CHENUODSTDQFHI-KRWDZBQOSA-N 2 2 326.444 2.365 50 0 EEAALP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)c(C)c1 ZINC000095506152 463098357 /nfs/dbraw/zinc/09/83/57/463098357.db2.gz CHENUODSTDQFHI-KRWDZBQOSA-N 2 2 326.444 2.365 50 0 EEAALP CCCc1cncnc1N1CCC([NH2+][C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000095522308 463101726 /nfs/dbraw/zinc/10/17/26/463101726.db2.gz OTQZGUDTTDPDCA-GOSISDBHSA-N 2 2 329.492 2.082 50 0 EEAALP O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000108471972 463605671 /nfs/dbraw/zinc/60/56/71/463605671.db2.gz AOXDSLWNGFBLPJ-WMZOPIPTSA-N 2 2 328.460 2.041 50 0 EEAALP Cc1[nH+]c2ccc(Cl)cn2c1CN1CCOC[C@H](C[NH+](C)C)C1 ZINC000584893136 468957632 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50 0 EEAALP O=C(c1ccccc1)C1CC[NH+](Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072165005 216054689 /nfs/dbraw/zinc/05/46/89/216054689.db2.gz GJPUNPCCQYUBQS-UHFFFAOYSA-N 2 2 338.455 2.471 50 0 EEAALP CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncnc2c1CC[NH2+]CC2 ZINC000072407642 216198322 /nfs/dbraw/zinc/19/83/22/216198322.db2.gz PTPBILPFXIALGD-UHFFFAOYSA-N 2 2 348.454 2.046 50 0 EEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000072475120 216253175 /nfs/dbraw/zinc/25/31/75/216253175.db2.gz LYDSLTHWBMIQLU-OAHLLOKOSA-N 2 2 326.448 2.190 50 0 EEAALP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000023624100 212386055 /nfs/dbraw/zinc/38/60/55/212386055.db2.gz CUOTYXSYJGSYNC-FUHWJXTLSA-N 2 2 333.476 2.350 50 0 EEAALP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000023624100 212386059 /nfs/dbraw/zinc/38/60/59/212386059.db2.gz CUOTYXSYJGSYNC-FUHWJXTLSA-N 2 2 333.476 2.350 50 0 EEAALP COCc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1OC ZINC000215642538 241136069 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[NH3+]Cc1nc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cs1 ZINC000262091868 295279450 /nfs/dbraw/zinc/27/94/50/295279450.db2.gz UOGKZCRVLXASAY-CYBMUJFWSA-N 2 2 336.848 2.042 50 0 EEAALP CCc1[nH]c(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)c(C)[nH+]1 ZINC000065396788 462764318 /nfs/dbraw/zinc/76/43/18/462764318.db2.gz QZFAWJLGJCTMRW-MRXNPFEDSA-N 3 2 333.524 2.128 50 0 EEAALP Cc1ccc(C[N@@H+]2CCc3nc(N4CC[NH+](C)CC4)ncc3C2)s1 ZINC000021262230 463035073 /nfs/dbraw/zinc/03/50/73/463035073.db2.gz IXWQDPVHEFKKLJ-UHFFFAOYSA-N 2 2 343.500 2.157 50 0 EEAALP Cc1ccc(C[N@H+]2CCc3nc(N4CC[NH+](C)CC4)ncc3C2)s1 ZINC000021262230 463035077 /nfs/dbraw/zinc/03/50/77/463035077.db2.gz IXWQDPVHEFKKLJ-UHFFFAOYSA-N 2 2 343.500 2.157 50 0 EEAALP CCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071767958 463424888 /nfs/dbraw/zinc/42/48/88/463424888.db2.gz NAKGBFYQXDQFHD-SFHVURJKSA-N 2 2 344.503 2.284 50 0 EEAALP CCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071767958 463424896 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1179296020 /nfs/dbraw/zinc/29/60/20/1179296020.db2.gz BMMUCTDCDWHJJI-SJORKVTESA-N 2 2 349.438 2.295 50 0 EEAALP Cc1cc(N2CCC([NH2+]CCCn3ccnn3)CC2)nc(C(C)C)[nH+]1 ZINC000095525142 1215437477 /nfs/dbraw/zinc/43/74/77/1215437477.db2.gz YGLDXPFOHKQOGA-UHFFFAOYSA-N 2 2 343.479 2.149 50 0 EEAALP CN(Cc1[nH+]ccn1C)c1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000067934865 215252191 /nfs/dbraw/zinc/25/21/91/215252191.db2.gz DNMLGMCUBHFTBJ-UHFFFAOYSA-N 2 2 334.427 2.159 50 0 EEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000072420499 216209355 /nfs/dbraw/zinc/20/93/55/216209355.db2.gz NMLAOLHJBIHDOD-CQSZACIVSA-N 2 2 344.438 2.329 50 0 EEAALP Cc1nc2c(c(=O)n1C)C[N@H+](Cc1ccc(C[NH+]3CCCC3)s1)C2 ZINC000216426687 241191151 /nfs/dbraw/zinc/19/11/51/241191151.db2.gz VWJIKCUHXSBAAE-UHFFFAOYSA-N 2 2 344.484 2.262 50 0 EEAALP Cc1nc2c(c(=O)n1C)C[N@@H+](Cc1ccc(C[NH+]3CCCC3)s1)C2 ZINC000216426687 241191155 /nfs/dbraw/zinc/19/11/55/241191155.db2.gz VWJIKCUHXSBAAE-UHFFFAOYSA-N 2 2 344.484 2.262 50 0 EEAALP 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50 0 EEAALP c1c(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)nn2c1C[NH2+]CC2 ZINC000072146753 216034089 /nfs/dbraw/zinc/03/40/89/216034089.db2.gz YLVHSGQSVGHFOV-IBGZPJMESA-N 2 2 326.444 2.168 50 0 EEAALP c1c(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)nn2c1C[NH2+]CC2 ZINC000072146753 216034091 /nfs/dbraw/zinc/03/40/91/216034091.db2.gz YLVHSGQSVGHFOV-IBGZPJMESA-N 2 2 326.444 2.168 50 0 EEAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OC ZINC000020028157 212094860 /nfs/dbraw/zinc/09/48/60/212094860.db2.gz GGOSQQFBBNDTGO-UHFFFAOYSA-N 2 2 328.840 2.169 50 0 EEAALP CCn1cc[nH+]c1N1CC[NH+](CC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000011695744 211238715 /nfs/dbraw/zinc/23/87/15/211238715.db2.gz AYEZTDKQVAWNKA-UHFFFAOYSA-N 2 2 341.459 2.281 50 0 EEAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000095390303 218321387 /nfs/dbraw/zinc/32/13/87/218321387.db2.gz MPGLXJDISBITFX-INIZCTEOSA-N 2 2 333.480 2.230 50 0 EEAALP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)C1 ZINC000048130477 462863933 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345.468 2.289 50 0 EEAALP O[C@@H]1C[N@@H+](C2CSCCSC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000014981216 1226386007 /nfs/dbraw/zinc/38/60/07/1226386007.db2.gz SCEZJOXALMHQNF-HZPDHXFCSA-N 2 2 330.563 2.146 50 0 EEAALP O[C@@H]1C[N@H+](C2CSCCSC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000014981216 1226386012 /nfs/dbraw/zinc/38/60/12/1226386012.db2.gz SCEZJOXALMHQNF-HZPDHXFCSA-N 2 2 330.563 2.146 50 0 EEAALP CNc1nc(N[C@H]2CCC[N@H+](Cc3ccccn3)C2)[nH+]c2c1CCC2 ZINC000072408716 216200170 /nfs/dbraw/zinc/20/01/70/216200170.db2.gz DLTCZCGYWVRSIP-HNNXBMFYSA-N 2 2 338.459 2.479 50 0 EEAALP CNc1nc(N[C@H]2CCC[N@@H+](Cc3ccccn3)C2)[nH+]c2c1CCC2 ZINC000072408716 216200173 /nfs/dbraw/zinc/20/01/73/216200173.db2.gz DLTCZCGYWVRSIP-HNNXBMFYSA-N 2 2 338.459 2.479 50 0 EEAALP OCCNc1cc(N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)nc[nH+]1 ZINC000072462981 216244930 /nfs/dbraw/zinc/24/49/30/216244930.db2.gz YMOCXLMACWZZBF-OAHLLOKOSA-N 2 2 333.480 2.480 50 0 EEAALP OCCNc1cc(N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)nc[nH+]1 ZINC000072462981 216244932 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C[N@@H+](CC(=O)N1CCC[C@@](C)(c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000091476131 218012351 /nfs/dbraw/zinc/01/23/51/218012351.db2.gz UEYOKLXAWAHAET-HXUWFJFHSA-N 2 2 329.488 2.251 50 0 EEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)N2CCCC2)CC1 ZINC000095358627 218291495 /nfs/dbraw/zinc/29/14/95/218291495.db2.gz JAXMMXXYXCIQFX-UHFFFAOYSA-N 2 2 333.480 2.230 50 0 EEAALP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](C2CCCCC2)C1)Cc1cccnc1 ZINC000299781280 258089993 /nfs/dbraw/zinc/08/99/93/258089993.db2.gz USWSBGIXTDVOCN-SFHVURJKSA-N 2 2 344.503 2.284 50 0 EEAALP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+](C2CCCCC2)C1)Cc1cccnc1 ZINC000299781280 258089994 /nfs/dbraw/zinc/08/99/94/258089994.db2.gz USWSBGIXTDVOCN-SFHVURJKSA-N 2 2 344.503 2.284 50 0 EEAALP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1cccnc1 ZINC000299781280 258089995 /nfs/dbraw/zinc/08/99/95/258089995.db2.gz USWSBGIXTDVOCN-SFHVURJKSA-N 2 2 344.503 2.284 50 0 EEAALP C[NH+](CC(=O)NC[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1cccnc1 ZINC000299781280 258089996 /nfs/dbraw/zinc/08/99/96/258089996.db2.gz USWSBGIXTDVOCN-SFHVURJKSA-N 2 2 344.503 2.284 50 0 EEAALP NC(=O)Cn1cc[nH+]c1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000095515369 463101188 /nfs/dbraw/zinc/10/11/88/463101188.db2.gz KAUMWFSXSARQQV-UHFFFAOYSA-N 2 2 344.484 2.340 50 0 EEAALP Cc1c2[nH+]c[nH]c2cc(NC(=O)NCCC[NH+]2CCOCC2)c1C ZINC000095520152 463101944 /nfs/dbraw/zinc/10/19/44/463101944.db2.gz RLDOEJIYMSIUIS-UHFFFAOYSA-N 2 2 331.420 2.024 50 0 EEAALP Cc1c2[nH]c[nH+]c2cc(NC(=O)NCCC[NH+]2CCOCC2)c1C ZINC000095520152 463101948 /nfs/dbraw/zinc/10/19/48/463101948.db2.gz RLDOEJIYMSIUIS-UHFFFAOYSA-N 2 2 331.420 2.024 50 0 EEAALP C([C@@H]1C[N@@H+](C2CSCCSC2)CCCO1)[NH+]1CCCCC1 ZINC001506417221 1188315811 /nfs/dbraw/zinc/31/58/11/1188315811.db2.gz HDVZVZBAYIYFFS-MRXNPFEDSA-N 2 2 330.563 2.412 50 0 EEAALP C([C@@H]1C[N@H+](C2CSCCSC2)CCCO1)[NH+]1CCCCC1 ZINC001506417221 1188315816 /nfs/dbraw/zinc/31/58/16/1188315816.db2.gz HDVZVZBAYIYFFS-MRXNPFEDSA-N 2 2 330.563 2.412 50 0 EEAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1nc(C2CCOCC2)nn1-c1ccccc1 ZINC000097660287 219045857 /nfs/dbraw/zinc/04/58/57/219045857.db2.gz KLRNYNLWBSRFPJ-INIZCTEOSA-N 2 2 338.415 2.127 50 0 EEAALP [NH3+][C@@H](Cc1c[nH]c[nH+]1)c1nc(C2CCOCC2)nn1-c1ccccc1 ZINC000097660287 219045859 /nfs/dbraw/zinc/04/58/59/219045859.db2.gz KLRNYNLWBSRFPJ-INIZCTEOSA-N 2 2 338.415 2.127 50 0 EEAALP CC[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000244794640 243082588 /nfs/dbraw/zinc/08/25/88/243082588.db2.gz QQWRAFRIPZRVJH-GOSISDBHSA-N 2 2 330.476 2.349 50 0 EEAALP C[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCCCC3)cc2F)CC1 ZINC000001404153 462581431 /nfs/dbraw/zinc/58/14/31/462581431.db2.gz DHQBVIOPDNNVIO-UHFFFAOYSA-N 2 2 334.439 2.002 50 0 EEAALP CCCN(Cc1[nH+]ccn1C)c1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065395231 462763039 /nfs/dbraw/zinc/76/30/39/462763039.db2.gz FBWGPFWKKVROHB-UHFFFAOYSA-N 2 2 342.472 2.487 50 0 EEAALP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(C1CC1)C1CC1 ZINC000065457850 462773292 /nfs/dbraw/zinc/77/32/92/462773292.db2.gz SKQXAJRFLLZPFQ-AWEZNQCLSA-N 2 2 328.460 2.120 50 0 EEAALP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(C1CC1)C1CC1 ZINC000065457850 462773297 /nfs/dbraw/zinc/77/32/97/462773297.db2.gz SKQXAJRFLLZPFQ-AWEZNQCLSA-N 2 2 328.460 2.120 50 0 EEAALP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nnnn3-c3ccccc3)C2)[nH+]1 ZINC000097200889 463344914 /nfs/dbraw/zinc/34/49/14/463344914.db2.gz MMFWHQWYKRPTKD-INIZCTEOSA-N 2 2 349.442 2.300 50 0 EEAALP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nnnn3-c3ccccc3)C2)[nH+]1 ZINC000097200889 463344917 /nfs/dbraw/zinc/34/49/17/463344917.db2.gz MMFWHQWYKRPTKD-INIZCTEOSA-N 2 2 349.442 2.300 50 0 EEAALP Cc1ccccc1N1CCC[N@H+](Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072161949 463482484 /nfs/dbraw/zinc/48/24/84/463482484.db2.gz KFBWDMCYCUBKIS-UHFFFAOYSA-N 2 2 325.460 2.007 50 0 EEAALP Cc1ccccc1N1CCC[N@@H+](Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072161949 463482488 /nfs/dbraw/zinc/48/24/88/463482488.db2.gz KFBWDMCYCUBKIS-UHFFFAOYSA-N 2 2 325.460 2.007 50 0 EEAALP C[C@H](C[NH+]1CCCC1)NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000584898303 468958703 /nfs/dbraw/zinc/95/87/03/468958703.db2.gz GTKXOFKYDFJYGQ-OAHLLOKOSA-N 2 2 332.448 2.119 50 0 EEAALP COc1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)nc(N)[nH+]1 ZINC001529107272 1121317914 /nfs/dbraw/zinc/31/79/14/1121317914.db2.gz YNGHTXBRESKDFG-CYBMUJFWSA-N 2 2 331.395 2.283 50 0 EEAALP COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc(N)[nH+]1 ZINC001529107272 1121317924 /nfs/dbraw/zinc/31/79/24/1121317924.db2.gz YNGHTXBRESKDFG-CYBMUJFWSA-N 2 2 331.395 2.283 50 0 EEAALP C[NH+](C)Cc1ccc([C@@H]2CCCN2c2cc(NCCO)[nH+]cn2)cc1 ZINC001529139328 1121336115 /nfs/dbraw/zinc/33/61/15/1121336115.db2.gz PHBABQXXOIXHQE-KRWDZBQOSA-N 2 2 341.459 2.284 50 0 EEAALP C[NH+](C)Cc1ccc([C@@H]2CCCN2c2cc(NCCO)nc[nH+]2)cc1 ZINC001529139328 1121336125 /nfs/dbraw/zinc/33/61/25/1121336125.db2.gz PHBABQXXOIXHQE-KRWDZBQOSA-N 2 2 341.459 2.284 50 0 EEAALP OC[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1-c1ccc2c(c1)OCCO2 ZINC000067787488 215212838 /nfs/dbraw/zinc/21/28/38/215212838.db2.gz YSPWWMDVHMNSMD-MRXNPFEDSA-N 2 2 343.427 2.168 50 0 EEAALP OC[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1-c1ccc2c(c1)OCCO2 ZINC000067787488 215212842 /nfs/dbraw/zinc/21/28/42/215212842.db2.gz YSPWWMDVHMNSMD-MRXNPFEDSA-N 2 2 343.427 2.168 50 0 EEAALP O=C(NCCc1c[nH+]c2ccccn12)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072140383 216027162 /nfs/dbraw/zinc/02/71/62/216027162.db2.gz XKBHXXOUIXHUTA-OAHLLOKOSA-N 2 2 334.423 2.384 50 0 EEAALP [NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072422184 216210498 /nfs/dbraw/zinc/21/04/98/216210498.db2.gz QBWKMZJEWUOFDD-OAHLLOKOSA-N 2 2 332.835 2.339 50 0 EEAALP CCCCC[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072457769 216243033 /nfs/dbraw/zinc/24/30/33/216243033.db2.gz SDKFTKJCHIBCSH-INIZCTEOSA-N 2 2 349.523 2.141 50 0 EEAALP CCCCC[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072457769 216243037 /nfs/dbraw/zinc/24/30/37/216243037.db2.gz SDKFTKJCHIBCSH-INIZCTEOSA-N 2 2 349.523 2.141 50 0 EEAALP CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)CC(C)(C)C[NH+]1CCOCC1 ZINC000215316357 241120641 /nfs/dbraw/zinc/12/06/41/241120641.db2.gz HKZMVVJLYLQKGT-FQEVSTJZSA-N 2 2 345.531 2.333 50 0 EEAALP CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)CC(C)(C)C[NH+]1CCOCC1 ZINC000215316357 241120648 /nfs/dbraw/zinc/12/06/48/241120648.db2.gz HKZMVVJLYLQKGT-FQEVSTJZSA-N 2 2 345.531 2.333 50 0 EEAALP Cn1c(C[N@H+](C)Cc2cccc3cnccc32)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244741906 243072990 /nfs/dbraw/zinc/07/29/90/243072990.db2.gz NYSHXWYZYJPYDK-WKILWMFISA-N 2 2 336.443 2.200 50 0 EEAALP Cn1c(C[N@@H+](C)Cc2cccc3cnccc32)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244741906 243072996 /nfs/dbraw/zinc/07/29/96/243072996.db2.gz NYSHXWYZYJPYDK-WKILWMFISA-N 2 2 336.443 2.200 50 0 EEAALP CCOc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OCC ZINC000020175634 212109470 /nfs/dbraw/zinc/10/94/70/212109470.db2.gz JLYGXLAULXYHEN-LBPRGKRZSA-N 2 2 330.856 2.197 50 0 EEAALP C[C@H](CC(=O)N1CC[NH+](CCOc2ccccc2)CC1)n1cc[nH+]c1 ZINC000091664370 218043547 /nfs/dbraw/zinc/04/35/47/218043547.db2.gz YFWUIQMVRYCXOO-QGZVFWFLSA-N 2 2 342.443 2.057 50 0 EEAALP C[NH+](C)Cc1csc(C[N@@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c1 ZINC000091908122 218086922 /nfs/dbraw/zinc/08/69/22/218086922.db2.gz IPTZRHKOBZLAPW-AEFFLSMTSA-N 3 2 339.549 2.334 50 0 EEAALP C[NH+](C)Cc1csc(C[N@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c1 ZINC000091908122 218086924 /nfs/dbraw/zinc/08/69/24/218086924.db2.gz IPTZRHKOBZLAPW-AEFFLSMTSA-N 3 2 339.549 2.334 50 0 EEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2cccnc2)CC1 ZINC000095355990 218289177 /nfs/dbraw/zinc/28/91/77/218289177.db2.gz JOIVBISZVKIHQI-UHFFFAOYSA-N 2 2 341.459 2.250 50 0 EEAALP [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-n3cc[nH+]c3)cc2)N1 ZINC000007128231 258052605 /nfs/dbraw/zinc/05/26/05/258052605.db2.gz GPEVYNMDFIMTQX-MRXNPFEDSA-N 2 2 329.367 2.318 50 0 EEAALP CN(Cc1csc(-c2cccs2)n1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000077284640 462963091 /nfs/dbraw/zinc/96/30/91/462963091.db2.gz JJKSBVDOWUQPAO-LBPRGKRZSA-N 2 2 347.469 2.123 50 0 EEAALP CSc1ccc(-c2[nH+]ccn2CCC[N@@H+]2CCNC(=O)C2)cc1 ZINC000077298237 462964618 /nfs/dbraw/zinc/96/46/18/462964618.db2.gz JQHUTUANIVQUDX-UHFFFAOYSA-N 2 2 330.457 2.094 50 0 EEAALP CSc1ccc(-c2[nH+]ccn2CCC[N@H+]2CCNC(=O)C2)cc1 ZINC000077298237 462964624 /nfs/dbraw/zinc/96/46/24/462964624.db2.gz JQHUTUANIVQUDX-UHFFFAOYSA-N 2 2 330.457 2.094 50 0 EEAALP Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)on1 ZINC000095526281 463104292 /nfs/dbraw/zinc/10/42/92/463104292.db2.gz SKMBMIIKRGRJFN-OAHLLOKOSA-N 2 2 345.447 2.151 50 0 EEAALP CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071575510 463418189 /nfs/dbraw/zinc/41/81/89/463418189.db2.gz DFLSWJZCXNBISJ-GOSISDBHSA-N 2 2 344.503 2.236 50 0 EEAALP CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071575510 463418195 /nfs/dbraw/zinc/41/81/95/463418195.db2.gz DFLSWJZCXNBISJ-GOSISDBHSA-N 2 2 344.503 2.236 50 0 EEAALP C[NH+](C)[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000106905781 463549136 /nfs/dbraw/zinc/54/91/36/463549136.db2.gz ARNMYTIRGVSSJQ-IRXDYDNUSA-N 2 2 341.459 2.153 50 0 EEAALP O=c1[nH]c(CC[NH+]2CCC([NH2+]C3CCCC3)CC2)nc2ccccc21 ZINC000111299901 463677031 /nfs/dbraw/zinc/67/70/31/463677031.db2.gz MSVXGFDRXVYZED-UHFFFAOYSA-N 2 2 340.471 2.462 50 0 EEAALP Cc1ccc(C[NH+]2CCC3(CC2)C(=O)NCCC[N@H+]3C)c(F)c1F ZINC000215934896 464107038 /nfs/dbraw/zinc/10/70/38/464107038.db2.gz ANQGKVQWKHFYOU-UHFFFAOYSA-N 2 2 337.414 2.060 50 0 EEAALP Cc1ccc(C[NH+]2CCC3(CC2)C(=O)NCCC[N@@H+]3C)c(F)c1F ZINC000215934896 464107043 /nfs/dbraw/zinc/10/70/43/464107043.db2.gz ANQGKVQWKHFYOU-UHFFFAOYSA-N 2 2 337.414 2.060 50 0 EEAALP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1nnc(C2CC2)s1 ZINC000252482909 464962235 /nfs/dbraw/zinc/96/22/35/464962235.db2.gz DQCROOWQNDHZHL-GFCCVEGCSA-N 2 2 346.460 2.347 50 0 EEAALP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1nnc(C2CC2)s1 ZINC000252482909 464962240 /nfs/dbraw/zinc/96/22/40/464962240.db2.gz DQCROOWQNDHZHL-GFCCVEGCSA-N 2 2 346.460 2.347 50 0 EEAALP CC(C)[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1[nH+]ccn1C ZINC000534589075 468267414 /nfs/dbraw/zinc/26/74/14/468267414.db2.gz ICSMFWGJBKNRMQ-INIZCTEOSA-N 2 2 333.480 2.387 50 0 EEAALP CNc1[nH+]c(C)ccc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000585134207 468984987 /nfs/dbraw/zinc/98/49/87/468984987.db2.gz IBBUCEONBFXTDC-UHFFFAOYSA-N 2 2 334.464 2.051 50 0 EEAALP Cc1ccc([C@H](CNC(=O)N(C)CCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000534634158 485548650 /nfs/dbraw/zinc/54/86/50/485548650.db2.gz AWFOVZMORVSWDR-KRWDZBQOSA-N 2 2 329.448 2.136 50 0 EEAALP COc1ccccc1CCCNc1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000218941432 537030944 /nfs/dbraw/zinc/03/09/44/537030944.db2.gz HHZZMMCZKCISSR-HDJSIYSDSA-N 2 2 327.432 2.317 50 0 EEAALP C[N@@H+](Cc1ccnn1-c1ccccc1)C[C@@H]1CCC[NH+](CCO)C1 ZINC000952968809 796132537 /nfs/dbraw/zinc/13/25/37/796132537.db2.gz LTGGHKOGMQSHED-KRWDZBQOSA-N 2 2 328.460 2.008 50 0 EEAALP C[N@H+](Cc1ccnn1-c1ccccc1)C[C@@H]1CCC[NH+](CCO)C1 ZINC000952968809 796132541 /nfs/dbraw/zinc/13/25/41/796132541.db2.gz LTGGHKOGMQSHED-KRWDZBQOSA-N 2 2 328.460 2.008 50 0 EEAALP C[NH+](Cc1ccnn1-c1ccccc1)C[C@@H]1CCC[N@H+](CCO)C1 ZINC000952968809 796132546 /nfs/dbraw/zinc/13/25/46/796132546.db2.gz LTGGHKOGMQSHED-KRWDZBQOSA-N 2 2 328.460 2.008 50 0 EEAALP C[NH+](Cc1ccnn1-c1ccccc1)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000952968809 796132549 /nfs/dbraw/zinc/13/25/49/796132549.db2.gz LTGGHKOGMQSHED-KRWDZBQOSA-N 2 2 328.460 2.008 50 0 EEAALP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cc(C(C)(C)C)n[nH]3)C2)CC1 ZINC000952981909 796144528 /nfs/dbraw/zinc/14/45/28/796144528.db2.gz OJPOWTOFXPWVJT-MRXNPFEDSA-N 2 2 333.524 2.167 50 0 EEAALP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cc(C(C)(C)C)n[nH]3)C2)CC1 ZINC000952981909 796144535 /nfs/dbraw/zinc/14/45/35/796144535.db2.gz OJPOWTOFXPWVJT-MRXNPFEDSA-N 2 2 333.524 2.167 50 0 EEAALP Cc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)[nH+]c2ccccc12 ZINC000072475003 216253009 /nfs/dbraw/zinc/25/30/09/216253009.db2.gz KJVRZOVQZJPXDT-MAUKXSAKSA-N 2 2 338.455 2.319 50 0 EEAALP Cc1nc2ccccc2nc1C[NH+]1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072478911 216258136 /nfs/dbraw/zinc/25/81/36/216258136.db2.gz WHTWVZGFGABQCF-QGZVFWFLSA-N 2 2 340.471 2.359 50 0 EEAALP Cc1nc2ccccc2nc1C[NH+]1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072478911 216258138 /nfs/dbraw/zinc/25/81/38/216258138.db2.gz WHTWVZGFGABQCF-QGZVFWFLSA-N 2 2 340.471 2.359 50 0 EEAALP Cc1cc(N2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)cc[nH+]1 ZINC000252500046 243819938 /nfs/dbraw/zinc/81/99/38/243819938.db2.gz SMKIJWDRFMMGQN-UHFFFAOYSA-N 2 2 330.476 2.303 50 0 EEAALP NC(=O)c1ccc(C[N@H+]2C[C@H]3CC[C@H](C[NH+]3CC3CCC3)C2)cc1 ZINC000095363857 218297397 /nfs/dbraw/zinc/29/73/97/218297397.db2.gz AQBVNUSNKIISPU-PKOBYXMFSA-N 2 2 327.472 2.482 50 0 EEAALP NC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[C@H](C[NH+]3CC3CCC3)C2)cc1 ZINC000095363857 218297400 /nfs/dbraw/zinc/29/74/00/218297400.db2.gz AQBVNUSNKIISPU-PKOBYXMFSA-N 2 2 327.472 2.482 50 0 EEAALP NC(=O)c1ccc(C[NH+]2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)cc1 ZINC000095363857 218297403 /nfs/dbraw/zinc/29/74/03/218297403.db2.gz AQBVNUSNKIISPU-PKOBYXMFSA-N 2 2 327.472 2.482 50 0 EEAALP NC(=O)c1ccc(C[NH+]2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)cc1 ZINC000095363857 218297405 /nfs/dbraw/zinc/29/74/05/218297405.db2.gz AQBVNUSNKIISPU-PKOBYXMFSA-N 2 2 327.472 2.482 50 0 EEAALP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccncc1 ZINC000106790893 290389351 /nfs/dbraw/zinc/38/93/51/290389351.db2.gz PXHZAHOQLIAEIV-PKOBYXMFSA-N 2 2 344.503 2.427 50 0 EEAALP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccncc1 ZINC000106790893 290389353 /nfs/dbraw/zinc/38/93/53/290389353.db2.gz PXHZAHOQLIAEIV-PKOBYXMFSA-N 2 2 344.503 2.427 50 0 EEAALP C[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000106790893 290389354 /nfs/dbraw/zinc/38/93/54/290389354.db2.gz PXHZAHOQLIAEIV-PKOBYXMFSA-N 2 2 344.503 2.427 50 0 EEAALP C[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000106790893 290389357 /nfs/dbraw/zinc/38/93/57/290389357.db2.gz PXHZAHOQLIAEIV-PKOBYXMFSA-N 2 2 344.503 2.427 50 0 EEAALP Cc1cccnc1C[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000065403347 462765403 /nfs/dbraw/zinc/76/54/03/462765403.db2.gz ODUBEAVSJYBVDY-GOSISDBHSA-N 2 2 344.503 2.299 50 0 EEAALP Cc1cccnc1C[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000065403347 462765406 /nfs/dbraw/zinc/76/54/06/462765406.db2.gz ODUBEAVSJYBVDY-GOSISDBHSA-N 2 2 344.503 2.299 50 0 EEAALP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000106844130 463541849 /nfs/dbraw/zinc/54/18/49/463541849.db2.gz IBOAVJUTIVVKNC-ZWKOTPCHSA-N 2 2 334.508 2.267 50 0 EEAALP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000106844130 463541852 /nfs/dbraw/zinc/54/18/52/463541852.db2.gz IBOAVJUTIVVKNC-ZWKOTPCHSA-N 2 2 334.508 2.267 50 0 EEAALP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cn1 ZINC000108459462 463604725 /nfs/dbraw/zinc/60/47/25/463604725.db2.gz XUBRDCDNFICJKW-MAUKXSAKSA-N 2 2 326.444 2.485 50 0 EEAALP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cn1 ZINC000108459462 463604727 /nfs/dbraw/zinc/60/47/27/463604727.db2.gz XUBRDCDNFICJKW-MAUKXSAKSA-N 2 2 326.444 2.485 50 0 EEAALP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000423797074 466841602 /nfs/dbraw/zinc/84/16/02/466841602.db2.gz HYLCXTUHIZVFEX-LJQANCHMSA-N 2 2 340.427 2.039 50 0 EEAALP CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccc(-n2cc[nH+]c2C)cc1 ZINC000095530334 485486963 /nfs/dbraw/zinc/48/69/63/485486963.db2.gz KVLRVDYVKCVFOZ-IRXDYDNUSA-N 2 2 343.431 2.021 50 0 EEAALP CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1ccc(-n2cc[nH+]c2C)cc1 ZINC000095530334 485486968 /nfs/dbraw/zinc/48/69/68/485486968.db2.gz KVLRVDYVKCVFOZ-IRXDYDNUSA-N 2 2 343.431 2.021 50 0 EEAALP Cc1ccnc(-n2cccc2C[N@H+]2CCOC[C@H](C[NH+](C)C)C2)c1 ZINC000072152015 216041505 /nfs/dbraw/zinc/04/15/05/216041505.db2.gz BTIGHUNWPOOGLT-QGZVFWFLSA-N 2 2 328.460 2.191 50 0 EEAALP Cc1ccnc(-n2cccc2C[N@@H+]2CCOC[C@H](C[NH+](C)C)C2)c1 ZINC000072152015 216041508 /nfs/dbraw/zinc/04/15/08/216041508.db2.gz BTIGHUNWPOOGLT-QGZVFWFLSA-N 2 2 328.460 2.191 50 0 EEAALP Cn1cc[nH+]c1[C@H](NC(=O)c1cc(Cl)ccc1OCC[NH3+])C1CC1 ZINC000426689279 241327047 /nfs/dbraw/zinc/32/70/47/241327047.db2.gz PIGLORPWFMFFGG-OAHLLOKOSA-N 2 2 348.834 2.292 50 0 EEAALP NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c(F)c1)C2 ZINC000426707222 241330161 /nfs/dbraw/zinc/33/01/61/241330161.db2.gz NPUATSKFNXDYQP-GOSISDBHSA-N 2 2 337.414 2.128 50 0 EEAALP NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c(F)c1)C2 ZINC000426707222 241330172 /nfs/dbraw/zinc/33/01/72/241330172.db2.gz NPUATSKFNXDYQP-GOSISDBHSA-N 2 2 337.414 2.128 50 0 EEAALP NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000426707222 241330177 /nfs/dbraw/zinc/33/01/77/241330177.db2.gz NPUATSKFNXDYQP-GOSISDBHSA-N 2 2 337.414 2.128 50 0 EEAALP NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000426707222 241330186 /nfs/dbraw/zinc/33/01/86/241330186.db2.gz NPUATSKFNXDYQP-GOSISDBHSA-N 2 2 337.414 2.128 50 0 EEAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](C2CCOCC2)CC1 ZINC000082120326 217470471 /nfs/dbraw/zinc/47/04/71/217470471.db2.gz BLDIYOUVYKIDCC-UHFFFAOYSA-N 2 2 347.507 2.252 50 0 EEAALP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)nc(N)[nH+]1 ZINC000091444627 218006570 /nfs/dbraw/zinc/00/65/70/218006570.db2.gz TXIZSBACDPVWNE-OAHLLOKOSA-N 2 2 349.442 2.391 50 0 EEAALP Cn1c(C[NH+]2CCCC2)nnc1C1CCN(c2cc[nH+]cc2)CC1 ZINC000077287757 462963816 /nfs/dbraw/zinc/96/38/16/462963816.db2.gz NTXWWSGDZUTEIL-UHFFFAOYSA-N 2 2 326.448 2.190 50 0 EEAALP COc1ccc(C[NH+]2CCC([NH2+]Cc3cnn(C)c3)CC2)cc1F ZINC000097159106 463337991 /nfs/dbraw/zinc/33/79/91/463337991.db2.gz NDOABPQPGQMFFX-UHFFFAOYSA-N 2 2 332.423 2.322 50 0 EEAALP C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200647 463344891 /nfs/dbraw/zinc/34/48/91/463344891.db2.gz SHXLEMUEQVQWGM-QWHCGFSZSA-N 2 2 331.445 2.299 50 0 EEAALP C[C@@H](C(=O)Nc1nccs1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200647 463344894 /nfs/dbraw/zinc/34/48/94/463344894.db2.gz SHXLEMUEQVQWGM-QWHCGFSZSA-N 2 2 331.445 2.299 50 0 EEAALP CC(C)[N@@H+]1C[C@H](C)[C@H](NCc2cccc(NC(=O)C[NH+](C)C)c2)C1 ZINC000108101873 463590207 /nfs/dbraw/zinc/59/02/07/463590207.db2.gz GPGGRELVDFJKJY-MAUKXSAKSA-N 2 2 332.492 2.005 50 0 EEAALP CC(C)[N@H+]1C[C@H](C)[C@H](NCc2cccc(NC(=O)C[NH+](C)C)c2)C1 ZINC000108101873 463590211 /nfs/dbraw/zinc/59/02/11/463590211.db2.gz GPGGRELVDFJKJY-MAUKXSAKSA-N 2 2 332.492 2.005 50 0 EEAALP CC(C)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)C[NH+](C)C)c2)C1 ZINC000108101873 463590216 /nfs/dbraw/zinc/59/02/16/463590216.db2.gz GPGGRELVDFJKJY-MAUKXSAKSA-N 2 2 332.492 2.005 50 0 EEAALP O=S1(=O)CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000108386748 463601685 /nfs/dbraw/zinc/60/16/85/463601685.db2.gz LCCDNENSGUGVOU-ZSYWTGECSA-N 2 2 348.512 2.064 50 0 EEAALP O=S1(=O)CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000108386748 463601688 /nfs/dbraw/zinc/60/16/88/463601688.db2.gz LCCDNENSGUGVOU-ZSYWTGECSA-N 2 2 348.512 2.064 50 0 EEAALP CCC1CC[NH+](CCNC(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)CC1 ZINC000534639251 485550817 /nfs/dbraw/zinc/55/08/17/485550817.db2.gz ORCUYNVTCQPBMZ-SFHVURJKSA-N 2 2 347.507 2.427 50 0 EEAALP C[NH+](C)CCc1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC001529154292 1121344483 /nfs/dbraw/zinc/34/44/83/1121344483.db2.gz JRJHCCKYQBKRMC-UHFFFAOYSA-N 2 2 342.428 2.080 50 0 EEAALP Cc1cccc2cc(C[N@H+]3CCOC[C@@H](C[NH+](C)C)C3)c(=O)[nH]c12 ZINC000072133682 216022678 /nfs/dbraw/zinc/02/26/78/216022678.db2.gz CJUZAQUGPGKCJE-HNNXBMFYSA-N 2 2 329.444 2.259 50 0 EEAALP Cc1cccc2cc(C[N@@H+]3CCOC[C@@H](C[NH+](C)C)C3)c(=O)[nH]c12 ZINC000072133682 216022679 /nfs/dbraw/zinc/02/26/79/216022679.db2.gz CJUZAQUGPGKCJE-HNNXBMFYSA-N 2 2 329.444 2.259 50 0 EEAALP CCc1[nH+]ccn1CCC(=O)NCc1ccc2c(c1)[nH+]c(C)n2C ZINC000217551023 241257088 /nfs/dbraw/zinc/25/70/88/241257088.db2.gz WAKFJCISKOONDY-UHFFFAOYSA-N 2 2 325.416 2.347 50 0 EEAALP O=c1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)[nH]c2ccc(Cl)cc12 ZINC000253536022 244013146 /nfs/dbraw/zinc/01/31/46/244013146.db2.gz CYOVMKJLYRFGIE-HNNXBMFYSA-N 2 2 346.862 2.073 50 0 EEAALP CN(CCCc1[nH+]ccn1C)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095520355 463102583 /nfs/dbraw/zinc/10/25/83/463102583.db2.gz BKMJJASRMNKJFI-INIZCTEOSA-N 2 2 344.459 2.316 50 0 EEAALP CN(CCCc1[nH+]ccn1C)C(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095520355 463102592 /nfs/dbraw/zinc/10/25/92/463102592.db2.gz BKMJJASRMNKJFI-INIZCTEOSA-N 2 2 344.459 2.316 50 0 EEAALP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)on1 ZINC000225344560 464156283 /nfs/dbraw/zinc/15/62/83/464156283.db2.gz QGSCECSDJRZDHS-HUUCEWRRSA-N 2 2 343.431 2.447 50 0 EEAALP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)on1 ZINC000225344560 464156288 /nfs/dbraw/zinc/15/62/88/464156288.db2.gz QGSCECSDJRZDHS-HUUCEWRRSA-N 2 2 343.431 2.447 50 0 EEAALP Cc1cc(N2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cc[nH+]1 ZINC000072436223 1253495222 /nfs/dbraw/zinc/49/52/22/1253495222.db2.gz HIESTLBIPIOQTE-MRXNPFEDSA-N 2 2 340.475 2.498 50 0 EEAALP CCc1[nH+]ccn1CCNc1nc(-c2ccncc2)nc2c1C[NH2+]C2 ZINC000072169690 216061145 /nfs/dbraw/zinc/06/11/45/216061145.db2.gz QWFCNMKWGWLHSS-UHFFFAOYSA-N 2 2 335.415 2.013 50 0 EEAALP CC(C)c1ccc(-n2cc(C[N@@H+]3CC[C@](O)(C[NH+](C)C)C3)cn2)cc1 ZINC000072431857 216225610 /nfs/dbraw/zinc/22/56/10/216225610.db2.gz ATRSYYLRVIKVNH-FQEVSTJZSA-N 2 2 342.487 2.494 50 0 EEAALP CC(C)c1ccc(-n2cc(C[N@H+]3CC[C@](O)(C[NH+](C)C)C3)cn2)cc1 ZINC000072431857 216225611 /nfs/dbraw/zinc/22/56/11/216225611.db2.gz ATRSYYLRVIKVNH-FQEVSTJZSA-N 2 2 342.487 2.494 50 0 EEAALP CCc1[nH]c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCOC)C2)c(C)[nH+]1 ZINC000072468495 216247428 /nfs/dbraw/zinc/24/74/28/216247428.db2.gz NGDZMIQNCLCDJF-DOTOQJQBSA-N 2 2 348.491 2.130 50 0 EEAALP CCc1[nH]c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCOC)C2)c(C)[nH+]1 ZINC000072468495 216247429 /nfs/dbraw/zinc/24/74/29/216247429.db2.gz NGDZMIQNCLCDJF-DOTOQJQBSA-N 2 2 348.491 2.130 50 0 EEAALP CCn1cc[nH+]c1CN1CC[N@H+](CCc2ccccc2)[C@H](CCO)C1 ZINC000022851533 212329751 /nfs/dbraw/zinc/32/97/51/212329751.db2.gz KVCPJLNIRYWAIQ-LJQANCHMSA-N 2 2 342.487 2.014 50 0 EEAALP CCn1cc[nH+]c1CN1CC[N@@H+](CCc2ccccc2)[C@H](CCO)C1 ZINC000022851533 212329754 /nfs/dbraw/zinc/32/97/54/212329754.db2.gz KVCPJLNIRYWAIQ-LJQANCHMSA-N 2 2 342.487 2.014 50 0 EEAALP Cc1cc(C)c2[nH]c(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cc(=O)c2c1 ZINC000253536655 244014309 /nfs/dbraw/zinc/01/43/09/244014309.db2.gz ZWESSBBHUYWEEG-QGZVFWFLSA-N 2 2 340.471 2.037 50 0 EEAALP COc1ccc([C@@H]2CN(C3CC[NH2+]CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095375971 218308793 /nfs/dbraw/zinc/30/87/93/218308793.db2.gz UAKQKJBSOSJQHI-PWRODBHTSA-N 2 2 341.499 2.309 50 0 EEAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3nnnn3-c3ccccc3)C2)c1 ZINC000097200726 218991277 /nfs/dbraw/zinc/99/12/77/218991277.db2.gz RDYQZNDAMQZHNF-MRXNPFEDSA-N 2 2 349.442 2.300 50 0 EEAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3nnnn3-c3ccccc3)C2)c1 ZINC000097200726 218991278 /nfs/dbraw/zinc/99/12/78/218991278.db2.gz 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CN(Cc1cccc2ncccc12)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000220400706 464116329 /nfs/dbraw/zinc/11/63/29/464116329.db2.gz SAYJYOIIOKNFQI-UHFFFAOYSA-N 2 2 334.427 2.448 50 0 EEAALP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cc(=O)c3cccc(F)c3[nH]2)C1 ZINC001506425271 1114603134 /nfs/dbraw/zinc/60/31/34/1114603134.db2.gz CTCSJBGQYLXJOE-CQSZACIVSA-N 2 2 347.434 2.480 50 0 EEAALP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2cc(=O)c3cccc(F)c3[nH]2)C1 ZINC001506425271 1114603138 /nfs/dbraw/zinc/60/31/38/1114603138.db2.gz CTCSJBGQYLXJOE-CQSZACIVSA-N 2 2 347.434 2.480 50 0 EEAALP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2cc(=O)c3cccc(F)c3[nH]2)C1 ZINC001506425271 1114603140 /nfs/dbraw/zinc/60/31/40/1114603140.db2.gz CTCSJBGQYLXJOE-CQSZACIVSA-N 2 2 347.434 2.480 50 0 EEAALP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cc(=O)c3cccc(F)c3[nH]2)C1 ZINC001506425271 1114603144 /nfs/dbraw/zinc/60/31/44/1114603144.db2.gz CTCSJBGQYLXJOE-CQSZACIVSA-N 2 2 347.434 2.480 50 0 EEAALP Cc1[nH+]ccn1CC1CC[NH+](Cc2noc([C@@H]3CCCO3)n2)CC1 ZINC000244817055 243085935 /nfs/dbraw/zinc/08/59/35/243085935.db2.gz STRKVRBCVYXZAL-HNNXBMFYSA-N 2 2 331.420 2.338 50 0 EEAALP Cc1ccc([C@@H](C(=O)N(C)CCCc2[nH+]ccn2C)[NH+](C)C)cc1 ZINC000091694787 218048933 /nfs/dbraw/zinc/04/89/33/218048933.db2.gz NSKRVCDJAGLJBN-SFHVURJKSA-N 2 2 328.460 2.422 50 0 EEAALP Cn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccoc2)CC1 ZINC000091858891 218078287 /nfs/dbraw/zinc/07/82/87/218078287.db2.gz NGVHVOZPXMDOJF-UHFFFAOYSA-N 2 2 326.404 2.033 50 0 EEAALP Cc1[nH+]cn(CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000171667554 227206595 /nfs/dbraw/zinc/20/65/95/227206595.db2.gz PWOJYDINGAXDBU-UHFFFAOYSA-N 2 2 326.444 2.153 50 0 EEAALP C[C@@H](C[NH+](C)C)N1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000063856822 462678726 /nfs/dbraw/zinc/67/87/26/462678726.db2.gz ZXPWCWHIXPBMIL-KRWDZBQOSA-N 2 2 348.539 2.241 50 0 EEAALP C[C@@H](CN(C)C)[NH+]1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000063856822 462678732 /nfs/dbraw/zinc/67/87/32/462678732.db2.gz ZXPWCWHIXPBMIL-KRWDZBQOSA-N 2 2 348.539 2.241 50 0 EEAALP CCc1c[nH+]c(C)nc1N1CC[N@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000106263469 463508315 /nfs/dbraw/zinc/50/83/15/463508315.db2.gz RPUOCYBYKLPYAS-INIZCTEOSA-N 2 2 330.432 2.014 50 0 EEAALP CCc1c[nH+]c(C)nc1N1CC[N@@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000106263469 463508319 /nfs/dbraw/zinc/50/83/19/463508319.db2.gz RPUOCYBYKLPYAS-INIZCTEOSA-N 2 2 330.432 2.014 50 0 EEAALP Cc1cc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C3CC3)CC2)on1 ZINC000082121704 463516739 /nfs/dbraw/zinc/51/67/39/463516739.db2.gz KKQLZAZWRKUWSZ-UHFFFAOYSA-N 2 2 344.463 2.351 50 0 EEAALP Cc1cccn2c(CC(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)c[nH+]c12 ZINC000067692868 215188063 /nfs/dbraw/zinc/18/80/63/215188063.db2.gz GQGTWCJWRKQPKO-MRXNPFEDSA-N 2 2 328.460 2.279 50 0 EEAALP Cc1cccn2c(CC(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)c[nH+]c12 ZINC000067692868 215188066 /nfs/dbraw/zinc/18/80/66/215188066.db2.gz GQGTWCJWRKQPKO-MRXNPFEDSA-N 2 2 328.460 2.279 50 0 EEAALP NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c(F)c1)C2 ZINC000426707223 241330592 /nfs/dbraw/zinc/33/05/92/241330592.db2.gz NPUATSKFNXDYQP-SFHVURJKSA-N 2 2 337.414 2.128 50 0 EEAALP NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c(F)c1)C2 ZINC000426707223 241330598 /nfs/dbraw/zinc/33/05/98/241330598.db2.gz NPUATSKFNXDYQP-SFHVURJKSA-N 2 2 337.414 2.128 50 0 EEAALP NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000426707223 241330604 /nfs/dbraw/zinc/33/06/04/241330604.db2.gz NPUATSKFNXDYQP-SFHVURJKSA-N 2 2 337.414 2.128 50 0 EEAALP NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000426707223 241330609 /nfs/dbraw/zinc/33/06/09/241330609.db2.gz NPUATSKFNXDYQP-SFHVURJKSA-N 2 2 337.414 2.128 50 0 EEAALP O=C(Nc1cccc(-c2c[nH]c[nH+]2)c1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000426538312 241307099 /nfs/dbraw/zinc/30/70/99/241307099.db2.gz FSJDYTKRPQQZEA-IRXDYDNUSA-N 2 2 341.415 2.061 50 0 EEAALP O=C(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2)NC1CC1 ZINC000426563070 241308270 /nfs/dbraw/zinc/30/82/70/241308270.db2.gz HNMCTEDNNBNEMA-FQEVSTJZSA-N 2 2 345.462 2.392 50 0 EEAALP O=C(C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2)NC1CC1 ZINC000426563070 241308274 /nfs/dbraw/zinc/30/82/74/241308274.db2.gz HNMCTEDNNBNEMA-FQEVSTJZSA-N 2 2 345.462 2.392 50 0 EEAALP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)cc1)C2)NC1CC1 ZINC000426563070 241308280 /nfs/dbraw/zinc/30/82/80/241308280.db2.gz HNMCTEDNNBNEMA-FQEVSTJZSA-N 2 2 345.462 2.392 50 0 EEAALP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)cc1)C2)NC1CC1 ZINC000426563070 241308284 /nfs/dbraw/zinc/30/82/84/241308284.db2.gz HNMCTEDNNBNEMA-FQEVSTJZSA-N 2 2 345.462 2.392 50 0 EEAALP COc1ccccc1N1CC[N@H+](Cc2cccc(CC[NH3+])c2)CC1=O ZINC000091587088 218026806 /nfs/dbraw/zinc/02/68/06/218026806.db2.gz GSJIKWPJSMCVKE-UHFFFAOYSA-N 2 2 339.439 2.045 50 0 EEAALP COc1ccccc1N1CC[N@@H+](Cc2cccc(CC[NH3+])c2)CC1=O ZINC000091587088 218026808 /nfs/dbraw/zinc/02/68/08/218026808.db2.gz GSJIKWPJSMCVKE-UHFFFAOYSA-N 2 2 339.439 2.045 50 0 EEAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000095357925 218291954 /nfs/dbraw/zinc/29/19/54/218291954.db2.gz UBWVIVWQGDEBHO-MRXNPFEDSA-N 2 2 341.459 2.250 50 0 EEAALP Nc1cc(N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc[nH+]1 ZINC000095371490 218303670 /nfs/dbraw/zinc/30/36/70/218303670.db2.gz OZIFMYSYAXVMSD-KFKAGJAMSA-N 2 2 339.418 2.265 50 0 EEAALP Cc1ccc(C2(C[N@@H+](C)Cc3nncn3C(C)C)CC[NH2+]CC2)nc1 ZINC000065405557 462766654 /nfs/dbraw/zinc/76/66/54/462766654.db2.gz GYRVCZDFXZFGBY-UHFFFAOYSA-N 2 2 342.491 2.316 50 0 EEAALP Cc1ccc(C2(C[N@H+](C)Cc3nncn3C(C)C)CC[NH2+]CC2)nc1 ZINC000065405557 462766658 /nfs/dbraw/zinc/76/66/58/462766658.db2.gz GYRVCZDFXZFGBY-UHFFFAOYSA-N 2 2 342.491 2.316 50 0 EEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)CCc3ccccc3F)C2)CC1 ZINC000012587944 462858643 /nfs/dbraw/zinc/85/86/43/462858643.db2.gz FDLZXDFVJXWCBU-QGZVFWFLSA-N 2 2 347.478 2.433 50 0 EEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)CCc3ccccc3F)C2)CC1 ZINC000012587944 462858649 /nfs/dbraw/zinc/85/86/49/462858649.db2.gz FDLZXDFVJXWCBU-QGZVFWFLSA-N 2 2 347.478 2.433 50 0 EEAALP COc1ccccc1C[NH+]1CCC(c2nnc(C[NH+](C)C)n2C)CC1 ZINC000077439315 462984631 /nfs/dbraw/zinc/98/46/31/462984631.db2.gz BFKKZSXKXHELTL-UHFFFAOYSA-N 2 2 343.475 2.265 50 0 EEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(F)cc2)C1 ZINC000082096652 463512766 /nfs/dbraw/zinc/51/27/66/463512766.db2.gz HFHHPWGPTLZVPN-MRXNPFEDSA-N 2 2 344.434 2.098 50 0 EEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(F)cc2)C1 ZINC000082096652 463512771 /nfs/dbraw/zinc/51/27/71/463512771.db2.gz HFHHPWGPTLZVPN-MRXNPFEDSA-N 2 2 344.434 2.098 50 0 EEAALP Cc1[nH+]c[nH]c1CSCC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000082097492 463514776 /nfs/dbraw/zinc/51/47/76/463514776.db2.gz CEGNGGFZHHUILN-CQSZACIVSA-N 2 2 325.478 2.269 50 0 EEAALP C[NH+](C)[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccsc1 ZINC000106905863 463549346 /nfs/dbraw/zinc/54/93/46/463549346.db2.gz QNBCTJSVKVMIOA-GJZGRUSLSA-N 2 2 347.488 2.214 50 0 EEAALP C[N@H+](CC(=O)N1CCC[NH+](C2CCCCC2)CC1)Cc1cccnc1 ZINC000584898533 468958969 /nfs/dbraw/zinc/95/89/69/468958969.db2.gz XNUDJJCSGKMUSE-UHFFFAOYSA-N 2 2 344.503 2.380 50 0 EEAALP C[N@@H+](CC(=O)N1CCC[NH+](C2CCCCC2)CC1)Cc1cccnc1 ZINC000584898533 468958972 /nfs/dbraw/zinc/95/89/72/468958972.db2.gz XNUDJJCSGKMUSE-UHFFFAOYSA-N 2 2 344.503 2.380 50 0 EEAALP C[NH+](CC(=O)N1CCC[N@@H+](C2CCCCC2)CC1)Cc1cccnc1 ZINC000584898533 468958974 /nfs/dbraw/zinc/95/89/74/468958974.db2.gz XNUDJJCSGKMUSE-UHFFFAOYSA-N 2 2 344.503 2.380 50 0 EEAALP C[NH+](CC(=O)N1CCC[N@H+](C2CCCCC2)CC1)Cc1cccnc1 ZINC000584898533 468958977 /nfs/dbraw/zinc/95/89/77/468958977.db2.gz XNUDJJCSGKMUSE-UHFFFAOYSA-N 2 2 344.503 2.380 50 0 EEAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000216517432 241197429 /nfs/dbraw/zinc/19/74/29/241197429.db2.gz DWUCJMYNXZCXCJ-AWEZNQCLSA-N 2 2 347.488 2.093 50 0 EEAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000216517432 241197455 /nfs/dbraw/zinc/19/74/55/241197455.db2.gz DWUCJMYNXZCXCJ-AWEZNQCLSA-N 2 2 347.488 2.093 50 0 EEAALP CN(CCCc1[nH+]ccn1C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000426535989 241306612 /nfs/dbraw/zinc/30/66/12/241306612.db2.gz YUVVVUSDQXXFDE-HNNXBMFYSA-N 2 2 346.479 2.306 50 0 EEAALP Cc1c[nH+]ccc1NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121270284 463108195 /nfs/dbraw/zinc/10/81/95/463108195.db2.gz QIVPFMNQPGRDQW-UHFFFAOYSA-N 2 2 342.447 2.215 50 0 EEAALP Cc1ccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)c3nccs3)C2)[nH+]c1 ZINC000097200515 463345982 /nfs/dbraw/zinc/34/59/82/463345982.db2.gz GHKWRBSIEZCURC-AWEZNQCLSA-N 2 2 345.472 2.243 50 0 EEAALP Cc1ccc(NC[C@@H]2CC[N@H+](CC(=O)N(C)c3nccs3)C2)[nH+]c1 ZINC000097200515 463345985 /nfs/dbraw/zinc/34/59/85/463345985.db2.gz GHKWRBSIEZCURC-AWEZNQCLSA-N 2 2 345.472 2.243 50 0 EEAALP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCC1 ZINC000106153827 463507315 /nfs/dbraw/zinc/50/73/15/463507315.db2.gz PETVWITXMVIXGW-TVFCKZIOSA-N 2 2 339.524 2.111 50 0 EEAALP Cn1cc[nH+]c1CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000223096204 464138151 /nfs/dbraw/zinc/13/81/51/464138151.db2.gz KRTFTQHXGKIWHL-QGZVFWFLSA-N 2 2 326.444 2.134 50 0 EEAALP Cn1cc[nH+]c1CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000223096204 464138154 /nfs/dbraw/zinc/13/81/54/464138154.db2.gz KRTFTQHXGKIWHL-QGZVFWFLSA-N 2 2 326.444 2.134 50 0 EEAALP C[N@@H+]1CCc2ncnc(N3C[C@H]4[C@@H](CC[NH+]4Cc4ccccc4)C3)c2C1 ZINC000248095717 464729122 /nfs/dbraw/zinc/72/91/22/464729122.db2.gz YABLODMZIQCXQM-PXNSSMCTSA-N 2 2 349.482 2.175 50 0 EEAALP C[N@H+]1CCc2ncnc(N3C[C@H]4[C@@H](CC[NH+]4Cc4ccccc4)C3)c2C1 ZINC000248095717 464729123 /nfs/dbraw/zinc/72/91/23/464729123.db2.gz YABLODMZIQCXQM-PXNSSMCTSA-N 2 2 349.482 2.175 50 0 EEAALP C[NH+]1CCc2ncnc(N3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)c2C1 ZINC000248095717 464729124 /nfs/dbraw/zinc/72/91/24/464729124.db2.gz YABLODMZIQCXQM-PXNSSMCTSA-N 2 2 349.482 2.175 50 0 EEAALP C[NH+]1CCc2ncnc(N3C[C@H]4[C@@H](CC[N@H+]4Cc4ccccc4)C3)c2C1 ZINC000248095717 464729125 /nfs/dbraw/zinc/72/91/25/464729125.db2.gz YABLODMZIQCXQM-PXNSSMCTSA-N 2 2 349.482 2.175 50 0 EEAALP O=C(CCc1cccc(F)c1)N1CCC[N@H+](CCc2[nH]cc[nH+]2)CC1 ZINC001772805296 1410368327 /nfs/dbraw/zinc/36/83/27/1410368327.db2.gz JMQLYKQZDORIMV-UHFFFAOYSA-N 2 2 344.434 2.258 50 0 EEAALP O=C(CCc1cccc(F)c1)N1CCC[N@@H+](CCc2[nH]cc[nH+]2)CC1 ZINC001772805296 1410368334 /nfs/dbraw/zinc/36/83/34/1410368334.db2.gz JMQLYKQZDORIMV-UHFFFAOYSA-N 2 2 344.434 2.258 50 0 EEAALP Cc1cc(-n2cccn2)ccc1C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072474156 216251689 /nfs/dbraw/zinc/25/16/89/216251689.db2.gz KXWWGWIGJJXYBG-IBGZPJMESA-N 2 2 328.460 2.069 50 0 EEAALP Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072474156 216251691 /nfs/dbraw/zinc/25/16/91/216251691.db2.gz KXWWGWIGJJXYBG-IBGZPJMESA-N 2 2 328.460 2.069 50 0 EEAALP Nc1cc(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)nc[nH+]1 ZINC000091713681 218053805 /nfs/dbraw/zinc/05/38/05/218053805.db2.gz KOLRJQXKTOHRGV-UHFFFAOYSA-N 2 2 341.444 2.144 50 0 EEAALP Nc1cc(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)[nH+]cn1 ZINC000091713681 218053806 /nfs/dbraw/zinc/05/38/06/218053806.db2.gz KOLRJQXKTOHRGV-UHFFFAOYSA-N 2 2 341.444 2.144 50 0 EEAALP COc1cccc2ccc(C[N@@H+]3CCOC[C@@H](C[NH+](C)C)C3)nc21 ZINC000215696763 295343850 /nfs/dbraw/zinc/34/38/50/295343850.db2.gz IAKBXQAMFJAVMT-HNNXBMFYSA-N 2 2 329.444 2.253 50 0 EEAALP COc1cccc2ccc(C[N@H+]3CCOC[C@@H](C[NH+](C)C)C3)nc21 ZINC000215696763 295343852 /nfs/dbraw/zinc/34/38/52/295343852.db2.gz IAKBXQAMFJAVMT-HNNXBMFYSA-N 2 2 329.444 2.253 50 0 EEAALP C[NH+](C)[C@@H](C(=O)NCCc1c[nH+]c2ccccn12)c1cccc(F)c1 ZINC000065385039 462760632 /nfs/dbraw/zinc/76/06/32/462760632.db2.gz RUSRXJNHIPZFJV-GOSISDBHSA-N 2 2 340.402 2.435 50 0 EEAALP Cc1nn(CC[NH+]2CCN(C)CC2)cc1C[NH2+]Cc1ccccc1C ZINC000065399062 462764379 /nfs/dbraw/zinc/76/43/79/462764379.db2.gz DNPNKOQIBICTQJ-UHFFFAOYSA-N 2 2 341.503 2.037 50 0 EEAALP CCOc1ccccc1CN(C)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000222780172 464133151 /nfs/dbraw/zinc/13/31/51/464133151.db2.gz RTBYAIRBHMZKNU-UHFFFAOYSA-N 2 2 327.432 2.299 50 0 EEAALP C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000067772828 215209752 /nfs/dbraw/zinc/20/97/52/215209752.db2.gz UECIVTPSIJEQGH-OAHLLOKOSA-N 2 2 326.444 2.352 50 0 EEAALP C[C@@H]1CCCC[N@H+]1C1CN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000067772828 215209755 /nfs/dbraw/zinc/20/97/55/215209755.db2.gz UECIVTPSIJEQGH-OAHLLOKOSA-N 2 2 326.444 2.352 50 0 EEAALP O=c1oc2ccccc2n1CC[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000067871582 215235724 /nfs/dbraw/zinc/23/57/24/215235724.db2.gz LUHKZDCRIOHFRO-OAHLLOKOSA-N 2 2 326.400 2.203 50 0 EEAALP O=c1oc2ccccc2n1CC[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000067871582 215235726 /nfs/dbraw/zinc/23/57/26/215235726.db2.gz LUHKZDCRIOHFRO-OAHLLOKOSA-N 2 2 326.400 2.203 50 0 EEAALP Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CCOC[C@H](C[NH+](C)C)C2)c1 ZINC000072158547 216048045 /nfs/dbraw/zinc/04/80/45/216048045.db2.gz APMHBJBGWQUWRL-GOSISDBHSA-N 2 2 342.487 2.499 50 0 EEAALP Cc1cc(C)c(-n2cccn2)c(C[N@@H+]2CCOC[C@H](C[NH+](C)C)C2)c1 ZINC000072158547 216048049 /nfs/dbraw/zinc/04/80/49/216048049.db2.gz APMHBJBGWQUWRL-GOSISDBHSA-N 2 2 342.487 2.499 50 0 EEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072410491 216202329 /nfs/dbraw/zinc/20/23/29/216202329.db2.gz VAJMGAUOCXLLNE-KRWDZBQOSA-N 2 2 340.475 2.186 50 0 EEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072410491 216202331 /nfs/dbraw/zinc/20/23/31/216202331.db2.gz VAJMGAUOCXLLNE-KRWDZBQOSA-N 2 2 340.475 2.186 50 0 EEAALP Cc1ccc(CN2CC[N@H+](Cc3cccc(CC[NH3+])c3)CC2=O)cc1 ZINC000072479233 216259270 /nfs/dbraw/zinc/25/92/70/216259270.db2.gz UCXYFABZCIUQLA-UHFFFAOYSA-N 2 2 337.467 2.341 50 0 EEAALP Cc1ccc(CN2CC[N@@H+](Cc3cccc(CC[NH3+])c3)CC2=O)cc1 ZINC000072479233 216259273 /nfs/dbraw/zinc/25/92/73/216259273.db2.gz UCXYFABZCIUQLA-UHFFFAOYSA-N 2 2 337.467 2.341 50 0 EEAALP O=C(C[NH+]1CCCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023625144 212386170 /nfs/dbraw/zinc/38/61/70/212386170.db2.gz OKUOYHHYINFFLY-UHFFFAOYSA-N 2 2 331.460 2.333 50 0 EEAALP CSc1ncc(C[N@@H+]2CCCC[C@@H]2CCN2CC[NH+](C)CC2)cn1 ZINC000215201392 241110743 /nfs/dbraw/zinc/11/07/43/241110743.db2.gz VSPRMCZLVJAOPA-QGZVFWFLSA-N 2 2 349.548 2.191 50 0 EEAALP CSc1ncc(C[N@H+]2CCCC[C@@H]2CCN2CC[NH+](C)CC2)cn1 ZINC000215201392 241110747 /nfs/dbraw/zinc/11/07/47/241110747.db2.gz VSPRMCZLVJAOPA-QGZVFWFLSA-N 2 2 349.548 2.191 50 0 EEAALP COC[C@]1(O)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000092081311 218116823 /nfs/dbraw/zinc/11/68/23/218116823.db2.gz BZAPRAVZPUWIRT-LJQANCHMSA-N 2 2 329.444 2.482 50 0 EEAALP COC[C@]1(O)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000092081311 218116824 /nfs/dbraw/zinc/11/68/24/218116824.db2.gz BZAPRAVZPUWIRT-LJQANCHMSA-N 2 2 329.444 2.482 50 0 EEAALP C[N@@H+]1CCc2ncnc(N3C[C@@H]4CC[NH+](Cc5ccccc5)[C@@H]4C3)c2C1 ZINC000065475868 462777386 /nfs/dbraw/zinc/77/73/86/462777386.db2.gz YABLODMZIQCXQM-FXAWDEMLSA-N 2 2 349.482 2.175 50 0 EEAALP C[N@H+]1CCc2ncnc(N3C[C@@H]4CC[NH+](Cc5ccccc5)[C@@H]4C3)c2C1 ZINC000065475868 462777392 /nfs/dbraw/zinc/77/73/92/462777392.db2.gz YABLODMZIQCXQM-FXAWDEMLSA-N 2 2 349.482 2.175 50 0 EEAALP C[NH+]1CCc2ncnc(N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)c2C1 ZINC000065475868 462777400 /nfs/dbraw/zinc/77/74/00/462777400.db2.gz YABLODMZIQCXQM-FXAWDEMLSA-N 2 2 349.482 2.175 50 0 EEAALP C[NH+]1CCc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)c2C1 ZINC000065475868 462777405 /nfs/dbraw/zinc/77/74/05/462777405.db2.gz YABLODMZIQCXQM-FXAWDEMLSA-N 2 2 349.482 2.175 50 0 EEAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1nc(CC2CC2)nn1-c1cccc(F)c1 ZINC000096152327 463187764 /nfs/dbraw/zinc/18/77/64/463187764.db2.gz FFKGYDDGCODXCY-HNNXBMFYSA-N 2 2 326.379 2.325 50 0 EEAALP [NH3+][C@@H](Cc1c[nH]c[nH+]1)c1nc(CC2CC2)nn1-c1cccc(F)c1 ZINC000096152327 463187768 /nfs/dbraw/zinc/18/77/68/463187768.db2.gz FFKGYDDGCODXCY-HNNXBMFYSA-N 2 2 326.379 2.325 50 0 EEAALP Cc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000027545262 463194075 /nfs/dbraw/zinc/19/40/75/463194075.db2.gz RXOGVAHDVNIGMH-MRXNPFEDSA-N 2 2 345.491 2.041 50 0 EEAALP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1)NCc1ccco1 ZINC000082099503 463513897 /nfs/dbraw/zinc/51/38/97/463513897.db2.gz XVXWLDCKNGQGNY-MRXNPFEDSA-N 2 2 342.443 2.382 50 0 EEAALP O=C(C[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1)NCc1ccco1 ZINC000082099503 463513900 /nfs/dbraw/zinc/51/39/00/463513900.db2.gz XVXWLDCKNGQGNY-MRXNPFEDSA-N 2 2 342.443 2.382 50 0 EEAALP Nc1nc(N2CCC(c3cccc(O)c3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223785291 464146976 /nfs/dbraw/zinc/14/69/76/464146976.db2.gz ZHQLCKHJHKGUCK-UHFFFAOYSA-N 2 2 339.443 2.353 50 0 EEAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1nc2ncccn2n1 ZINC000252485223 464963854 /nfs/dbraw/zinc/96/38/54/464963854.db2.gz GPFPLIRRRIQSNE-HNNXBMFYSA-N 2 2 325.420 2.074 50 0 EEAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1nc2ncccn2n1 ZINC000252485223 464963862 /nfs/dbraw/zinc/96/38/62/464963862.db2.gz GPFPLIRRRIQSNE-HNNXBMFYSA-N 2 2 325.420 2.074 50 0 EEAALP Cc1c[nH]c(CN(C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)[nH+]1 ZINC000534574507 468264128 /nfs/dbraw/zinc/26/41/28/468264128.db2.gz BCGDCKVPJUNFRP-MRXNPFEDSA-N 2 2 329.448 2.471 50 0 EEAALP COc1ccc(Oc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn2)cc1 ZINC000653122153 471499006 /nfs/dbraw/zinc/49/90/06/471499006.db2.gz OGAAZICWQPWKNS-INIZCTEOSA-N 2 2 344.415 2.100 50 0 EEAALP Nc1[nH+]c(NCC2CC[NH+](Cc3ccccc3)CC2)cc2nncn21 ZINC001529178899 1121355560 /nfs/dbraw/zinc/35/55/60/1121355560.db2.gz ULYFSCYPJRCLMP-UHFFFAOYSA-N 2 2 337.431 2.031 50 0 EEAALP C[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000019973701 202029123 /nfs/dbraw/zinc/02/91/23/202029123.db2.gz BGARWZAFOXENBF-ZDUSSCGKSA-N 2 2 342.395 2.412 50 0 EEAALP O=S(=O)(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000097200563 201382966 /nfs/dbraw/zinc/38/29/66/201382966.db2.gz VGJVECRDSVMJPF-MRXNPFEDSA-N 2 2 345.468 2.289 50 0 EEAALP O=S(=O)(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000097200563 201382968 /nfs/dbraw/zinc/38/29/68/201382968.db2.gz VGJVECRDSVMJPF-MRXNPFEDSA-N 2 2 345.468 2.289 50 0 EEAALP CC(C)[NH+]1CCC(CNC(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)CC1 ZINC000426674295 241325484 /nfs/dbraw/zinc/32/54/84/241325484.db2.gz OWWIWMXMPAIWEW-GOSISDBHSA-N 2 2 347.507 2.425 50 0 EEAALP CC[NH+](CC)C[C@H](O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019358641 212020974 /nfs/dbraw/zinc/02/09/74/212020974.db2.gz SJIABXDRMCGUGX-SFHVURJKSA-N 2 2 339.911 2.160 50 0 EEAALP C[NH+](C)[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000095378872 463071624 /nfs/dbraw/zinc/07/16/24/463071624.db2.gz JITNCRVISINMIR-GOSISDBHSA-N 2 2 342.418 2.172 50 0 EEAALP Cc1[nH]ccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095391874 463073299 /nfs/dbraw/zinc/07/32/99/463073299.db2.gz ACJOOJWHNDLQLX-MRXNPFEDSA-N 2 2 343.475 2.491 50 0 EEAALP O=C1OC2(CN1Cc1[nH+]ccn1Cc1ccccc1)CC[NH2+]CC2 ZINC000095525166 463103535 /nfs/dbraw/zinc/10/35/35/463103535.db2.gz FAEQXLHQRQGVNB-UHFFFAOYSA-N 2 2 326.400 2.006 50 0 EEAALP CCN(CCc1[nH]c2ccc(OC)cc2[nH+]1)C(=O)C1CC[NH+](C)CC1 ZINC000097546456 463359426 /nfs/dbraw/zinc/35/94/26/463359426.db2.gz ACBJTQOFROHDRK-UHFFFAOYSA-N 2 2 344.459 2.304 50 0 EEAALP [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000257354275 463788665 /nfs/dbraw/zinc/78/86/65/463788665.db2.gz WUUUXEAVXIZMET-JCNLHEQBSA-N 2 2 331.460 2.222 50 0 EEAALP CCCc1ccc(C[N@@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)o1 ZINC000223188616 464137801 /nfs/dbraw/zinc/13/78/01/464137801.db2.gz MZTPDKUZFFYFQZ-IBGZPJMESA-N 2 2 346.475 2.430 50 0 EEAALP CCCc1ccc(C[N@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)o1 ZINC000223188616 464137805 /nfs/dbraw/zinc/13/78/05/464137805.db2.gz MZTPDKUZFFYFQZ-IBGZPJMESA-N 2 2 346.475 2.430 50 0 EEAALP CN(Cc1cc(-c2ccccc2)n[nH]1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000223726179 464146887 /nfs/dbraw/zinc/14/68/87/464146887.db2.gz ONOWFESSHNIOIN-UHFFFAOYSA-N 2 2 349.442 2.290 50 0 EEAALP COCCc1noc(C[NH+]2CCC(c3[nH+]ccn3C(C)C)CC2)n1 ZINC000252485166 464964252 /nfs/dbraw/zinc/96/42/52/464964252.db2.gz GOMIMGVDNKQGEP-UHFFFAOYSA-N 2 2 333.436 2.416 50 0 EEAALP Cn1c[nH+]c([C@@H]2CN(C(=O)CCc3cc4ccccc4o3)C[C@H]2[NH3+])c1 ZINC000685943178 539990546 /nfs/dbraw/zinc/99/05/46/539990546.db2.gz SNCLYQUCICBLIM-HZPDHXFCSA-N 2 2 338.411 2.052 50 0 EEAALP COc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000030903532 202200136 /nfs/dbraw/zinc/20/01/36/202200136.db2.gz NOAFAZKRIAVDTA-LJQANCHMSA-N 2 2 326.440 2.204 50 0 EEAALP COc1cccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000030903532 202200139 /nfs/dbraw/zinc/20/01/39/202200139.db2.gz NOAFAZKRIAVDTA-LJQANCHMSA-N 2 2 326.440 2.204 50 0 EEAALP Cc1cc(C)cc(OCC[N@@H+](C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)c1 ZINC000244764001 243077142 /nfs/dbraw/zinc/07/71/42/243077142.db2.gz OZKVPYRMXXZNQD-WKILWMFISA-N 2 2 343.475 2.147 50 0 EEAALP Cc1cc(C)cc(OCC[N@H+](C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)c1 ZINC000244764001 243077147 /nfs/dbraw/zinc/07/71/47/243077147.db2.gz OZKVPYRMXXZNQD-WKILWMFISA-N 2 2 343.475 2.147 50 0 EEAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000077537037 203393646 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c1cn(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)nc3)cc2)c[nH+]1 ZINC000030636791 202197204 /nfs/dbraw/zinc/19/72/04/202197204.db2.gz JHSTVHPBBQDUTI-UHFFFAOYSA-N 2 2 349.438 2.394 50 0 EEAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)NCc3ccco3)C2)c1 ZINC000097200688 201382180 /nfs/dbraw/zinc/38/21/80/201382180.db2.gz YVXICOLLMICZHO-OAHLLOKOSA-N 2 2 328.416 2.033 50 0 EEAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC(=O)NCc3ccco3)C2)c1 ZINC000097200688 201382185 /nfs/dbraw/zinc/38/21/85/201382185.db2.gz YVXICOLLMICZHO-OAHLLOKOSA-N 2 2 328.416 2.033 50 0 EEAALP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)on1 ZINC000097200905 201382663 /nfs/dbraw/zinc/38/26/63/201382663.db2.gz AHENAXYAONYUJL-AWEZNQCLSA-N 2 2 329.404 2.059 50 0 EEAALP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)on1 ZINC000097200905 201382666 /nfs/dbraw/zinc/38/26/66/201382666.db2.gz AHENAXYAONYUJL-AWEZNQCLSA-N 2 2 329.404 2.059 50 0 EEAALP Cn1cc(C[N@H+](C)Cc2ccc(OCCn3cc[nH+]c3)cc2)cn1 ZINC000215333043 241119504 /nfs/dbraw/zinc/11/95/04/241119504.db2.gz XUHGFPUXKVRMEK-UHFFFAOYSA-N 2 2 325.416 2.328 50 0 EEAALP Cn1cc(C[N@@H+](C)Cc2ccc(OCCn3cc[nH+]c3)cc2)cn1 ZINC000215333043 241119513 /nfs/dbraw/zinc/11/95/13/241119513.db2.gz XUHGFPUXKVRMEK-UHFFFAOYSA-N 2 2 325.416 2.328 50 0 EEAALP Cc1ccc(COc2ccccc2C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC000426620292 241318167 /nfs/dbraw/zinc/31/81/67/241318167.db2.gz UUPSPIFSAWLTTD-RTBURBONSA-N 2 2 326.440 2.468 50 0 EEAALP Cc1ccc(COc2ccccc2C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC000426620292 241318172 /nfs/dbraw/zinc/31/81/72/241318172.db2.gz UUPSPIFSAWLTTD-RTBURBONSA-N 2 2 326.440 2.468 50 0 EEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072410490 203217676 /nfs/dbraw/zinc/21/76/76/203217676.db2.gz VAJMGAUOCXLLNE-QGZVFWFLSA-N 2 2 340.475 2.186 50 0 EEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072410490 203217678 /nfs/dbraw/zinc/21/76/78/203217678.db2.gz VAJMGAUOCXLLNE-QGZVFWFLSA-N 2 2 340.475 2.186 50 0 EEAALP C[NH+](C)Cc1ccccc1-c1cc(C(=O)N2CC[NH+](C)CC2)ccn1 ZINC000097546455 219034495 /nfs/dbraw/zinc/03/44/95/219034495.db2.gz XOGNURZKSTVOLQ-UHFFFAOYSA-N 2 2 338.455 2.198 50 0 EEAALP Cc1[nH+]c2ccccn2c1CN(C)C(=O)CC[C@@H](C)[NH+]1CCOCC1 ZINC000299781785 258089965 /nfs/dbraw/zinc/08/99/65/258089965.db2.gz DWZCCDQIXPMRNM-OAHLLOKOSA-N 2 2 344.459 2.102 50 0 EEAALP C[N@@H+]1CCN(C(=O)CSCC[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000219548271 277090698 /nfs/dbraw/zinc/09/06/98/277090698.db2.gz ZIXPXKMIHNPTGF-GOSISDBHSA-N 2 2 347.528 2.331 50 0 EEAALP C[N@H+]1CCN(C(=O)CSCC[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000219548271 277090699 /nfs/dbraw/zinc/09/06/99/277090699.db2.gz ZIXPXKMIHNPTGF-GOSISDBHSA-N 2 2 347.528 2.331 50 0 EEAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000091391046 462877062 /nfs/dbraw/zinc/87/70/62/462877062.db2.gz VTLIDPKFRRYTKL-UHFFFAOYSA-N 2 2 346.397 2.493 50 0 EEAALP C[NH+](C)c1ccc(-n2ccnc2-c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000091663161 462896405 /nfs/dbraw/zinc/89/64/05/462896405.db2.gz HORYHLGKUZPRSO-UHFFFAOYSA-N 2 2 337.431 2.121 50 0 EEAALP Cc1[nH]c(C[N@@H+]2CCC[C@@H](CCNC(=O)c3cncs3)C2)c[nH+]1 ZINC000067804483 463053556 /nfs/dbraw/zinc/05/35/56/463053556.db2.gz OGWVIDHGGPQWCS-ZDUSSCGKSA-N 2 2 333.461 2.207 50 0 EEAALP Cc1[nH]c(C[N@H+]2CCC[C@@H](CCNC(=O)c3cncs3)C2)c[nH+]1 ZINC000067804483 463053563 /nfs/dbraw/zinc/05/35/63/463053563.db2.gz OGWVIDHGGPQWCS-ZDUSSCGKSA-N 2 2 333.461 2.207 50 0 EEAALP CCNC(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067818835 463054584 /nfs/dbraw/zinc/05/45/84/463054584.db2.gz GGRJSMWSWIOMHB-SFHVURJKSA-N 2 2 330.476 2.044 50 0 EEAALP CCNC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000067818835 463054589 /nfs/dbraw/zinc/05/45/89/463054589.db2.gz GGRJSMWSWIOMHB-SFHVURJKSA-N 2 2 330.476 2.044 50 0 EEAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000097137266 463332712 /nfs/dbraw/zinc/33/27/12/463332712.db2.gz LGVRMAMETFRCQQ-UHFFFAOYSA-N 2 2 343.456 2.362 50 0 EEAALP Cc1ccc(-c2ccnc(NCc3cc4n(n3)CC[NH2+]C4)n2)c(C)[nH+]1 ZINC000082137449 463518433 /nfs/dbraw/zinc/51/84/33/463518433.db2.gz AVLQGVCVPXAIBD-UHFFFAOYSA-N 2 2 335.415 2.067 50 0 EEAALP Cc1ccc(OCCCN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cc1 ZINC000222942117 464134801 /nfs/dbraw/zinc/13/48/01/464134801.db2.gz DCYOVFGSJIJIIG-UHFFFAOYSA-N 2 2 341.459 2.477 50 0 EEAALP Cn1c(C[N@H+](C)Cc2cccc3cccnc32)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244866645 464464665 /nfs/dbraw/zinc/46/46/65/464464665.db2.gz VZTSVOOTNWYZJX-WKILWMFISA-N 2 2 336.443 2.200 50 0 EEAALP Cn1c(C[N@@H+](C)Cc2cccc3cccnc32)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244866645 464464671 /nfs/dbraw/zinc/46/46/71/464464671.db2.gz VZTSVOOTNWYZJX-WKILWMFISA-N 2 2 336.443 2.200 50 0 EEAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000095504878 282087929 /nfs/dbraw/zinc/08/79/29/282087929.db2.gz KVUYNFKLZVJJPQ-OAHLLOKOSA-N 2 2 330.432 2.448 50 0 EEAALP CN(C(=O)c1cc(C[NH+](C)Cc2ccccc2)on1)[C@@H]1CC[N@H+](C)C1 ZINC000067784382 215211134 /nfs/dbraw/zinc/21/11/34/215211134.db2.gz GSGNRYPBNHEZFQ-MRXNPFEDSA-N 2 2 342.443 2.083 50 0 EEAALP CN(C(=O)c1cc(C[NH+](C)Cc2ccccc2)on1)[C@@H]1CC[N@@H+](C)C1 ZINC000067784382 215211137 /nfs/dbraw/zinc/21/11/37/215211137.db2.gz GSGNRYPBNHEZFQ-MRXNPFEDSA-N 2 2 342.443 2.083 50 0 EEAALP CN(C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1)[C@@H]1CC[NH+](C)C1 ZINC000067784382 215211139 /nfs/dbraw/zinc/21/11/39/215211139.db2.gz GSGNRYPBNHEZFQ-MRXNPFEDSA-N 2 2 342.443 2.083 50 0 EEAALP CN(C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1)[C@@H]1CC[NH+](C)C1 ZINC000067784382 215211143 /nfs/dbraw/zinc/21/11/43/215211143.db2.gz GSGNRYPBNHEZFQ-MRXNPFEDSA-N 2 2 342.443 2.083 50 0 EEAALP CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000077379944 462977216 /nfs/dbraw/zinc/97/72/16/462977216.db2.gz KCNPJJRFLWLRJD-HNNXBMFYSA-N 2 2 341.440 2.062 50 0 EEAALP CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071760198 463423280 /nfs/dbraw/zinc/42/32/80/463423280.db2.gz YWAGNIBSMIMAJO-SFHVURJKSA-N 2 2 344.503 2.236 50 0 EEAALP CCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071760198 463423284 /nfs/dbraw/zinc/42/32/84/463423284.db2.gz YWAGNIBSMIMAJO-SFHVURJKSA-N 2 2 344.503 2.236 50 0 EEAALP CN(Cc1ccc(-n2cccn2)cc1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000223204390 464137680 /nfs/dbraw/zinc/13/76/80/464137680.db2.gz OOCPOEVVHLTOHA-UHFFFAOYSA-N 2 2 349.442 2.086 50 0 EEAALP C[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC001772810505 1410370771 /nfs/dbraw/zinc/37/07/71/1410370771.db2.gz IZCADFJFDGQNLJ-UHFFFAOYSA-N 2 2 337.414 2.207 50 0 EEAALP C[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC001772810505 1410370780 /nfs/dbraw/zinc/37/07/80/1410370780.db2.gz IZCADFJFDGQNLJ-UHFFFAOYSA-N 2 2 337.414 2.207 50 0 EEAALP C[C@H]1C(=O)N2CCC[C@H]2C[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001772816162 1410372812 /nfs/dbraw/zinc/37/28/12/1410372812.db2.gz GAXMKNBQSKGSJV-WMZOPIPTSA-N 2 2 345.487 2.212 50 0 EEAALP C[C@H]1C(=O)N2CCC[C@H]2C[N@@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001772816162 1410372819 /nfs/dbraw/zinc/37/28/19/1410372819.db2.gz GAXMKNBQSKGSJV-WMZOPIPTSA-N 2 2 345.487 2.212 50 0 EEAALP CCCN(Cc1[nH+]ccn1C)C(=O)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095378383 283299586 /nfs/dbraw/zinc/29/95/86/283299586.db2.gz ATLBSEMFEQIAND-GOSISDBHSA-N 2 2 341.459 2.391 50 0 EEAALP Nc1nc(NCCOc2ccccc2Cl)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219394459 241385817 /nfs/dbraw/zinc/38/58/17/241385817.db2.gz NJORVGQPAFOXSG-UHFFFAOYSA-N 2 2 333.823 2.408 50 0 EEAALP C[N@H+](CC(=O)N1CCC[C@](C)(c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000091476129 218011801 /nfs/dbraw/zinc/01/18/01/218011801.db2.gz UEYOKLXAWAHAET-FQEVSTJZSA-N 2 2 329.488 2.251 50 0 EEAALP C[N@@H+](CC(=O)N1CCC[C@](C)(c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000091476129 218011802 /nfs/dbraw/zinc/01/18/02/218011802.db2.gz UEYOKLXAWAHAET-FQEVSTJZSA-N 2 2 329.488 2.251 50 0 EEAALP COc1c(C)cc(-c2cc(N3CC[NH+](C)CC3)nc(N)[nH+]2)cc1C ZINC000065396265 462764156 /nfs/dbraw/zinc/76/41/56/462764156.db2.gz OUDVTGPQXFTXDW-UHFFFAOYSA-N 2 2 327.432 2.103 50 0 EEAALP c1ccc2[nH+]c(C[C@@H]3CCCN(c4ncnc5c4CC[NH2+]C5)C3)[nH]c2c1 ZINC000067867547 463059706 /nfs/dbraw/zinc/05/97/06/463059706.db2.gz IOVOVCDRGGHAAE-AWEZNQCLSA-N 2 2 348.454 2.458 50 0 EEAALP O[C@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200623 463346054 /nfs/dbraw/zinc/34/60/54/463346054.db2.gz CZNBAPLUMJUZPN-RDJZCZTQSA-N 2 2 345.418 2.394 50 0 EEAALP O[C@H](COc1ccc(F)cc1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200623 463346058 /nfs/dbraw/zinc/34/60/58/463346058.db2.gz CZNBAPLUMJUZPN-RDJZCZTQSA-N 2 2 345.418 2.394 50 0 EEAALP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CNc3ccc(C)c[nH+]3)C2)no1 ZINC000097200753 463346290 /nfs/dbraw/zinc/34/62/90/463346290.db2.gz FWTYJYPWLPOZMD-AWEZNQCLSA-N 2 2 329.404 2.059 50 0 EEAALP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CNc3ccc(C)c[nH+]3)C2)no1 ZINC000097200753 463346296 /nfs/dbraw/zinc/34/62/96/463346296.db2.gz FWTYJYPWLPOZMD-AWEZNQCLSA-N 2 2 329.404 2.059 50 0 EEAALP C[NH2+]Cc1cn(C2CC[NH+](Cc3c(F)ccc(F)c3F)CC2)nn1 ZINC000023479051 212379871 /nfs/dbraw/zinc/37/98/71/212379871.db2.gz ICOMTOXNQGGGGD-UHFFFAOYSA-N 2 2 339.365 2.252 50 0 EEAALP Cc1c(Cl)cccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000215108976 241106418 /nfs/dbraw/zinc/10/64/18/241106418.db2.gz MFADNIKQOMCEQL-KRWDZBQOSA-N 2 2 335.879 2.481 50 0 EEAALP Cc1c(Cl)cccc1CNC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000215108976 241106419 /nfs/dbraw/zinc/10/64/19/241106419.db2.gz MFADNIKQOMCEQL-KRWDZBQOSA-N 2 2 335.879 2.481 50 0 EEAALP OC[C@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1C[NH+]1CCCC1 ZINC000091997586 285293267 /nfs/dbraw/zinc/29/32/67/285293267.db2.gz CCBPSKNRPQQDDA-CHWSQXEVSA-N 2 2 329.366 2.241 50 0 EEAALP C[NH+](C)C1(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC000072173997 282025890 /nfs/dbraw/zinc/02/58/90/282025890.db2.gz CKIRXGXURKIUFF-HXUWFJFHSA-N 2 2 349.478 2.259 50 0 EEAALP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCN(c4ncccn4)CC3)C2)cc1 ZINC000095515178 463100933 /nfs/dbraw/zinc/10/09/33/463100933.db2.gz VOAFOTKXUUCABM-IBGZPJMESA-N 2 2 337.471 2.310 50 0 EEAALP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCN(c4ncccn4)CC3)C2)cc1 ZINC000095515178 463100938 /nfs/dbraw/zinc/10/09/38/463100938.db2.gz VOAFOTKXUUCABM-IBGZPJMESA-N 2 2 337.471 2.310 50 0 EEAALP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](C2CCCCC2)C1)Cc1ccncc1 ZINC000219676658 485532013 /nfs/dbraw/zinc/53/20/13/485532013.db2.gz WZGPZJJPVAPHNP-SFHVURJKSA-N 2 2 344.503 2.284 50 0 EEAALP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+](C2CCCCC2)C1)Cc1ccncc1 ZINC000219676658 485532019 /nfs/dbraw/zinc/53/20/19/485532019.db2.gz WZGPZJJPVAPHNP-SFHVURJKSA-N 2 2 344.503 2.284 50 0 EEAALP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccncc1 ZINC000219676658 485532028 /nfs/dbraw/zinc/53/20/28/485532028.db2.gz WZGPZJJPVAPHNP-SFHVURJKSA-N 2 2 344.503 2.284 50 0 EEAALP C[NH+](CC(=O)NC[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccncc1 ZINC000219676658 485532037 /nfs/dbraw/zinc/53/20/37/485532037.db2.gz WZGPZJJPVAPHNP-SFHVURJKSA-N 2 2 344.503 2.284 50 0 EEAALP CC(C)n1c[nH+]cc1CN1CC[NH+](Cc2ccccc2CO)CC1 ZINC000216379914 535102139 /nfs/dbraw/zinc/10/21/39/535102139.db2.gz MCDZLBSWLSXLMF-UHFFFAOYSA-N 2 2 328.460 2.274 50 0 EEAALP C[N@@H+](Cc1ccnn1-c1ccccc1)C[C@H]1CCC[NH+](CCO)C1 ZINC000952968813 796132818 /nfs/dbraw/zinc/13/28/18/796132818.db2.gz LTGGHKOGMQSHED-QGZVFWFLSA-N 2 2 328.460 2.008 50 0 EEAALP C[N@H+](Cc1ccnn1-c1ccccc1)C[C@H]1CCC[NH+](CCO)C1 ZINC000952968813 796132820 /nfs/dbraw/zinc/13/28/20/796132820.db2.gz LTGGHKOGMQSHED-QGZVFWFLSA-N 2 2 328.460 2.008 50 0 EEAALP C[NH+](Cc1ccnn1-c1ccccc1)C[C@H]1CCC[N@H+](CCO)C1 ZINC000952968813 796132822 /nfs/dbraw/zinc/13/28/22/796132822.db2.gz LTGGHKOGMQSHED-QGZVFWFLSA-N 2 2 328.460 2.008 50 0 EEAALP C[NH+](Cc1ccnn1-c1ccccc1)C[C@H]1CCC[N@@H+](CCO)C1 ZINC000952968813 796132832 /nfs/dbraw/zinc/13/28/32/796132832.db2.gz LTGGHKOGMQSHED-QGZVFWFLSA-N 2 2 328.460 2.008 50 0 EEAALP OCc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccnc2)o1 ZINC000055242160 214294343 /nfs/dbraw/zinc/29/43/43/214294343.db2.gz FRHHPQZWUNHVJP-UHFFFAOYSA-N 2 2 326.400 2.456 50 0 EEAALP OCc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccnc2)o1 ZINC000055242160 214294346 /nfs/dbraw/zinc/29/43/46/214294346.db2.gz FRHHPQZWUNHVJP-UHFFFAOYSA-N 2 2 326.400 2.456 50 0 EEAALP O=C(c1cccs1)[C@H]1CCC[N@H+](Cc2cc3n(n2)CC[NH2+]C3)C1 ZINC000072128287 216019093 /nfs/dbraw/zinc/01/90/93/216019093.db2.gz UWUBLELKBCNIRA-ZDUSSCGKSA-N 2 2 330.457 2.143 50 0 EEAALP O=C(c1cccs1)[C@H]1CCC[N@@H+](Cc2cc3n(n2)CC[NH2+]C3)C1 ZINC000072128287 216019095 /nfs/dbraw/zinc/01/90/95/216019095.db2.gz UWUBLELKBCNIRA-ZDUSSCGKSA-N 2 2 330.457 2.143 50 0 EEAALP Cc1[nH+]ccn1CC1CC[NH+]([C@H](C)C(=O)Nc2ccccn2)CC1 ZINC000244715996 243066309 /nfs/dbraw/zinc/06/63/09/243066309.db2.gz LGNDOPJNCXGVQW-CQSZACIVSA-N 2 2 327.432 2.326 50 0 EEAALP C[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000019973702 212092562 /nfs/dbraw/zinc/09/25/62/212092562.db2.gz BGARWZAFOXENBF-CYBMUJFWSA-N 2 2 342.395 2.412 50 0 EEAALP CCc1[nH+]c2ccccc2c(NC(=O)CN2CC[NH+](C)CC2)c1C ZINC000019359499 212021071 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2.083 50 0 EEAALP C[N@H+](CC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1)C1CC[NH2+]CC1 ZINC000534653051 468270852 /nfs/dbraw/zinc/27/08/52/468270852.db2.gz VHHZUJPCWXOPGC-OAHLLOKOSA-N 2 2 335.879 2.340 50 0 EEAALP C[N@@H+](CC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1)C1CC[NH2+]CC1 ZINC000534653051 468270859 /nfs/dbraw/zinc/27/08/59/468270859.db2.gz VHHZUJPCWXOPGC-OAHLLOKOSA-N 2 2 335.879 2.340 50 0 EEAALP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCC[NH+]1CCOCC1 ZINC000000071728 462541350 /nfs/dbraw/zinc/54/13/50/462541350.db2.gz HORPJCMMPJGTMY-UHFFFAOYSA-N 2 2 343.427 2.464 50 0 EEAALP COc1cc(NC(=O)C[N@@H+]2CC[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000065491392 462780796 /nfs/dbraw/zinc/78/07/96/462780796.db2.gz IILDRIVODLSBGE-ZDUSSCGKSA-N 2 2 334.807 2.431 50 0 EEAALP COc1cc(NC(=O)C[N@H+]2CC[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000065491392 462780800 /nfs/dbraw/zinc/78/08/00/462780800.db2.gz IILDRIVODLSBGE-ZDUSSCGKSA-N 2 2 334.807 2.431 50 0 EEAALP C[N@H+](Cc1cc(C(=O)NC2CC[NH+](C)CC2)no1)Cc1ccccc1 ZINC000012706693 462863901 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EEAALP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](Nc1[nH+]c3ccccc3n1C)C2 ZINC000685941533 539989841 /nfs/dbraw/zinc/98/98/41/539989841.db2.gz YSAJZNNDPNNPLY-VYCZESIESA-N 2 2 328.460 2.465 50 0 EEAALP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](Nc1[nH+]c3ccccc3n1C)C2 ZINC000685941533 539989843 /nfs/dbraw/zinc/98/98/43/539989843.db2.gz YSAJZNNDPNNPLY-VYCZESIESA-N 2 2 328.460 2.465 50 0 EEAALP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)o1 ZINC000072422314 216211996 /nfs/dbraw/zinc/21/19/96/216211996.db2.gz HSSFRJOXSGETBW-MAUKXSAKSA-N 2 2 342.443 2.367 50 0 EEAALP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)o1 ZINC000072422314 216211999 /nfs/dbraw/zinc/21/19/99/216211999.db2.gz HSSFRJOXSGETBW-MAUKXSAKSA-N 2 2 342.443 2.367 50 0 EEAALP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)o1 ZINC000072422314 216212002 /nfs/dbraw/zinc/21/20/02/216212002.db2.gz HSSFRJOXSGETBW-MAUKXSAKSA-N 2 2 342.443 2.367 50 0 EEAALP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)o1 ZINC000072422314 216212003 /nfs/dbraw/zinc/21/20/03/216212003.db2.gz HSSFRJOXSGETBW-MAUKXSAKSA-N 2 2 342.443 2.367 50 0 EEAALP C[N@@H+](Cc1ccccc1OCC[NH+]1CCOCC1)C[C@H]1CCCCO1 ZINC000216537998 241200410 /nfs/dbraw/zinc/20/04/10/241200410.db2.gz DELXNBFIHWVNTR-LJQANCHMSA-N 2 2 348.487 2.399 50 0 EEAALP C[N@H+](Cc1ccccc1OCC[NH+]1CCOCC1)C[C@H]1CCCCO1 ZINC000216537998 241200418 /nfs/dbraw/zinc/20/04/18/241200418.db2.gz DELXNBFIHWVNTR-LJQANCHMSA-N 2 2 348.487 2.399 50 0 EEAALP Cc1ccn2cc(CNC(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)[nH+]c2c1 ZINC000426409291 241280303 /nfs/dbraw/zinc/28/03/03/241280303.db2.gz JAIWXSMBBZBHSO-OAHLLOKOSA-N 2 2 341.459 2.411 50 0 EEAALP Cc1ccn2cc(CNC(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)[nH+]c2c1 ZINC000426409291 241280307 /nfs/dbraw/zinc/28/03/07/241280307.db2.gz JAIWXSMBBZBHSO-OAHLLOKOSA-N 2 2 341.459 2.411 50 0 EEAALP O=C(CCCn1cc[nH+]c1)N[C@H]1C[N@@H+](C2CCCC2)C[C@@H]1C1CC1 ZINC000091381878 218000551 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CCCc1c[nH+]c(C)nc1N1CC[NH+](Cc2nc(C)ccc2O)CC1 ZINC000065376117 462760122 /nfs/dbraw/zinc/76/01/22/462760122.db2.gz QANFYPVDXURLRP-UHFFFAOYSA-N 2 2 341.459 2.469 50 0 EEAALP Nc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)nc[nH+]1 ZINC000091351168 462875342 /nfs/dbraw/zinc/87/53/42/462875342.db2.gz FDKGWNNUOJVFEN-OAHLLOKOSA-N 2 2 335.415 2.083 50 0 EEAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000077353659 462971912 /nfs/dbraw/zinc/97/19/12/462971912.db2.gz VURDUIAQQBUVCR-HXUWFJFHSA-N 3 2 340.471 2.295 50 0 EEAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000077353659 462971916 /nfs/dbraw/zinc/97/19/16/462971916.db2.gz VURDUIAQQBUVCR-HXUWFJFHSA-N 3 2 340.471 2.295 50 0 EEAALP Cc1cc2c(cc1C[N@@H+]1CCC[C@](O)(C[NH+]3CCCC3)C1)OCCO2 ZINC000077470360 462990284 /nfs/dbraw/zinc/99/02/84/462990284.db2.gz LVAFIXBKTLAQJP-FQEVSTJZSA-N 2 2 346.471 2.189 50 0 EEAALP Cc1cc2c(cc1C[N@H+]1CCC[C@](O)(C[NH+]3CCCC3)C1)OCCO2 ZINC000077470360 462990288 /nfs/dbraw/zinc/99/02/88/462990288.db2.gz LVAFIXBKTLAQJP-FQEVSTJZSA-N 2 2 346.471 2.189 50 0 EEAALP C[NH+](C)[C@@H]1CCN(Cc2cccc(OCCCn3cc[nH+]c3)c2)C1 ZINC000215943078 464107088 /nfs/dbraw/zinc/10/70/88/464107088.db2.gz SMNJITBHMDAZSL-GOSISDBHSA-N 2 2 328.460 2.488 50 0 EEAALP O=C(c1c[nH]c2ccccc12)N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000378343551 467271531 /nfs/dbraw/zinc/27/15/31/467271531.db2.gz SYUWULRDLKFZAQ-UHFFFAOYSA-N 2 2 337.427 2.213 50 0 EEAALP O=C(c1c[nH]c2ccccc12)N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000378343551 467271535 /nfs/dbraw/zinc/27/15/35/467271535.db2.gz SYUWULRDLKFZAQ-UHFFFAOYSA-N 2 2 337.427 2.213 50 0 EEAALP Fc1ccc(O[C@@H]2CCC[N@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)cc1 ZINC000072167866 1370313308 /nfs/dbraw/zinc/31/33/08/1370313308.db2.gz DJPAYXCDUCRSPI-GOSISDBHSA-N 2 2 330.407 2.169 50 0 EEAALP Fc1ccc(O[C@@H]2CCC[N@@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)cc1 ZINC000072167866 1370313311 /nfs/dbraw/zinc/31/33/11/1370313311.db2.gz DJPAYXCDUCRSPI-GOSISDBHSA-N 2 2 330.407 2.169 50 0 EEAALP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011668077 211233239 /nfs/dbraw/zinc/23/32/39/211233239.db2.gz OMRUVZXWKIFBEA-QGZVFWFLSA-N 2 2 342.487 2.037 50 0 EEAALP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011668077 211233244 /nfs/dbraw/zinc/23/32/44/211233244.db2.gz OMRUVZXWKIFBEA-QGZVFWFLSA-N 2 2 342.487 2.037 50 0 EEAALP CS[C@@H](C)C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095372000 218305578 /nfs/dbraw/zinc/30/55/78/218305578.db2.gz SOHRSEQPTPKDSY-AWEZNQCLSA-N 2 2 338.521 2.292 50 0 EEAALP CC(C)(C)c1ccc(C[NH+]2CCN(c3cc(N)[nH+]c(N)n3)CC2)cc1 ZINC000065532503 1296691649 /nfs/dbraw/zinc/69/16/49/1296691649.db2.gz UNHNPAHHDYWIKW-UHFFFAOYSA-N 2 2 340.475 2.261 50 0 EEAALP CC(C)c1[nH+]ccn1CCCNC(=O)C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000827812443 800514820 /nfs/dbraw/zinc/51/48/20/800514820.db2.gz GYDQFJMDRNNZSM-INIZCTEOSA-N 2 2 336.480 2.012 50 0 EEAALP CC(C)c1[nH+]ccn1CCCNC(=O)C[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000827812443 800514825 /nfs/dbraw/zinc/51/48/25/800514825.db2.gz GYDQFJMDRNNZSM-INIZCTEOSA-N 2 2 336.480 2.012 50 0 EEAALP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cc(=O)c3cccc(F)c3[nH]2)C1 ZINC001506425220 1114603055 /nfs/dbraw/zinc/60/30/55/1114603055.db2.gz CTCSJBGQYLXJOE-AWEZNQCLSA-N 2 2 347.434 2.480 50 0 EEAALP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cc(=O)c3cccc(F)c3[nH]2)C1 ZINC001506425220 1114603059 /nfs/dbraw/zinc/60/30/59/1114603059.db2.gz CTCSJBGQYLXJOE-AWEZNQCLSA-N 2 2 347.434 2.480 50 0 EEAALP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cc(=O)c3cccc(F)c3[nH]2)C1 ZINC001506425220 1114603061 /nfs/dbraw/zinc/60/30/61/1114603061.db2.gz CTCSJBGQYLXJOE-AWEZNQCLSA-N 2 2 347.434 2.480 50 0 EEAALP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cc(=O)c3cccc(F)c3[nH]2)C1 ZINC001506425220 1114603064 /nfs/dbraw/zinc/60/30/64/1114603064.db2.gz CTCSJBGQYLXJOE-AWEZNQCLSA-N 2 2 347.434 2.480 50 0 EEAALP C[NH+]1CCC(c2[nH+]ccn2C[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000072151672 216039847 /nfs/dbraw/zinc/03/98/47/216039847.db2.gz NPZHOWUUUWRNMY-HNNXBMFYSA-N 2 2 330.476 2.483 50 0 EEAALP COc1cccc(CN2CCC[C@@H]([NH2+]Cc3c[nH+]c(C)n3C)C2)c1 ZINC000022913608 212333195 /nfs/dbraw/zinc/33/31/95/212333195.db2.gz ZGPQSSGGMHYGGO-QGZVFWFLSA-N 2 2 328.460 2.491 50 0 EEAALP C[N@H+](CC(=O)N1CCC[C@H](Cc2ccc(F)cc2)C1)C1CC[NH2+]CC1 ZINC000215279587 241118393 /nfs/dbraw/zinc/11/83/93/241118393.db2.gz BNYLZXYCDKWLHU-QGZVFWFLSA-N 2 2 347.478 2.291 50 0 EEAALP C[N@@H+](CC(=O)N1CCC[C@H](Cc2ccc(F)cc2)C1)C1CC[NH2+]CC1 ZINC000215279587 241118397 /nfs/dbraw/zinc/11/83/97/241118397.db2.gz BNYLZXYCDKWLHU-QGZVFWFLSA-N 2 2 347.478 2.291 50 0 EEAALP Nc1nc(NCc2ccc3c(c2)OCCCO3)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219213162 241368875 /nfs/dbraw/zinc/36/88/75/241368875.db2.gz FFRUISJXXWYUPZ-UHFFFAOYSA-N 2 2 341.415 2.037 50 0 EEAALP C[NH+](C)C[C@H]1C[C@H](CO)C[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000091690807 218048004 /nfs/dbraw/zinc/04/80/04/218048004.db2.gz MUEVETOHYNNKDC-KGLIPLIRSA-N 2 2 328.403 2.280 50 0 EEAALP C[NH+](C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000091690807 218048007 /nfs/dbraw/zinc/04/80/07/218048007.db2.gz MUEVETOHYNNKDC-KGLIPLIRSA-N 2 2 328.403 2.280 50 0 EEAALP O=C(C[NH+]1Cc2ccccc2C1)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000299786496 258093537 /nfs/dbraw/zinc/09/35/37/258093537.db2.gz MGECKDZOMCPEKR-MRXNPFEDSA-N 2 2 327.472 2.383 50 0 EEAALP O=C(C[NH+]1Cc2ccccc2C1)NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000299786496 258093538 /nfs/dbraw/zinc/09/35/38/258093538.db2.gz MGECKDZOMCPEKR-MRXNPFEDSA-N 2 2 327.472 2.383 50 0 EEAALP CC(C)c1nn(C)cc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000048711461 462933262 /nfs/dbraw/zinc/93/32/62/462933262.db2.gz BOWCAOCLVQUWPX-LJQANCHMSA-N 2 2 342.487 2.052 50 0 EEAALP CC(C)c1nn(C)cc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000048711461 462933269 /nfs/dbraw/zinc/93/32/69/462933269.db2.gz BOWCAOCLVQUWPX-LJQANCHMSA-N 2 2 342.487 2.052 50 0 EEAALP COC(=O)c1coc(C[N@@H+]2CCCC[C@@H]2CCc2[nH+]ccn2C)n1 ZINC000077298531 462964167 /nfs/dbraw/zinc/96/41/67/462964167.db2.gz SFEUCENUACLFLR-CYBMUJFWSA-N 2 2 332.404 2.182 50 0 EEAALP COC(=O)c1coc(C[N@H+]2CCCC[C@@H]2CCc2[nH+]ccn2C)n1 ZINC000077298531 462964171 /nfs/dbraw/zinc/96/41/71/462964171.db2.gz SFEUCENUACLFLR-CYBMUJFWSA-N 2 2 332.404 2.182 50 0 EEAALP O=C(Cn1cc[nH+]c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077520437 462999945 /nfs/dbraw/zinc/99/99/45/462999945.db2.gz YMJPBBFFERTIFG-UHFFFAOYSA-N 2 2 326.444 2.050 50 0 EEAALP O=C(Cn1cc[nH+]c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077520437 462999951 /nfs/dbraw/zinc/99/99/51/462999951.db2.gz YMJPBBFFERTIFG-UHFFFAOYSA-N 2 2 326.444 2.050 50 0 EEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)NCc2ccccc2F)C1 ZINC000082125959 463516596 /nfs/dbraw/zinc/51/65/96/463516596.db2.gz IIYZJMOQBRXJOU-MRXNPFEDSA-N 2 2 344.434 2.445 50 0 EEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2F)C1 ZINC000082125959 463516600 /nfs/dbraw/zinc/51/66/00/463516600.db2.gz IIYZJMOQBRXJOU-MRXNPFEDSA-N 2 2 344.434 2.445 50 0 EEAALP Cn1cc([C@](C)(O)C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000108363815 463601730 /nfs/dbraw/zinc/60/17/30/463601730.db2.gz AMBCOUFUCWYWJU-UYAOXDASSA-N 2 2 342.487 2.270 50 0 EEAALP Cn1cc([C@](C)(O)C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000108363815 463601736 /nfs/dbraw/zinc/60/17/36/463601736.db2.gz AMBCOUFUCWYWJU-UYAOXDASSA-N 2 2 342.487 2.270 50 0 EEAALP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000222633467 464131715 /nfs/dbraw/zinc/13/17/15/464131715.db2.gz WDBZUVOEFRJVLM-INIZCTEOSA-N 2 2 326.444 2.432 50 0 EEAALP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000222633467 464131721 /nfs/dbraw/zinc/13/17/21/464131721.db2.gz WDBZUVOEFRJVLM-INIZCTEOSA-N 2 2 326.444 2.432 50 0 EEAALP Cc1[nH+]ccn1CC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000252491499 464966919 /nfs/dbraw/zinc/96/69/19/464966919.db2.gz LNNYSVFXJIXIDQ-UHFFFAOYSA-N 2 2 343.456 2.173 50 0 EEAALP O[C@H]1C[C@@H]2C[N@H+](CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C[C@H]12 ZINC001772707249 1179293504 /nfs/dbraw/zinc/29/35/04/1179293504.db2.gz MCJNCMNRYGKAAV-MNEFBYGVSA-N 2 2 349.906 2.165 50 0 EEAALP O[C@H]1C[C@@H]2C[N@@H+](CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C[C@H]12 ZINC001772707249 1179293512 /nfs/dbraw/zinc/29/35/12/1179293512.db2.gz MCJNCMNRYGKAAV-MNEFBYGVSA-N 2 2 349.906 2.165 50 0 EEAALP Cc1ccoc1C(=O)NCC1CC[NH+](CCc2[nH+]ccn2C)CC1 ZINC000952965787 796086461 /nfs/dbraw/zinc/08/64/61/796086461.db2.gz RXIMKUBZGQTECK-UHFFFAOYSA-N 2 2 330.432 2.006 50 0 EEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccccc2C)[nH+]cn1 ZINC000035598082 213041603 /nfs/dbraw/zinc/04/16/03/213041603.db2.gz WUSBPTRAQLBVRB-UHFFFAOYSA-N 2 2 336.399 2.121 50 0 EEAALP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(F)cccc3F)cn2)CC1 ZINC000030660641 212705203 /nfs/dbraw/zinc/70/52/03/212705203.db2.gz FTVPVJHKYGXAJU-UHFFFAOYSA-N 2 2 332.398 2.401 50 0 EEAALP COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+](C)C)n3C)C2)c1 ZINC000072422947 216211938 /nfs/dbraw/zinc/21/19/38/216211938.db2.gz WUKWRKASILULMG-MRXNPFEDSA-N 2 2 343.475 2.265 50 0 EEAALP COc1cccc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+](C)C)n3C)C2)c1 ZINC000072422947 216211941 /nfs/dbraw/zinc/21/19/41/216211941.db2.gz WUKWRKASILULMG-MRXNPFEDSA-N 2 2 343.475 2.265 50 0 EEAALP CC(C)CNC(=O)CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1[NH+](C)C ZINC000023340560 212369334 /nfs/dbraw/zinc/36/93/34/212369334.db2.gz HFKQQKYPVALTJU-RBUKOAKNSA-N 2 2 346.519 2.386 50 0 EEAALP CC(C)CNC(=O)CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1[NH+](C)C ZINC000023340560 212369337 /nfs/dbraw/zinc/36/93/37/212369337.db2.gz HFKQQKYPVALTJU-RBUKOAKNSA-N 2 2 346.519 2.386 50 0 EEAALP CCCOc1ccccc1[C@H](C)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000215221918 241113722 /nfs/dbraw/zinc/11/37/22/241113722.db2.gz LYOGWWIMOYZQQE-HNNXBMFYSA-N 2 2 333.476 2.336 50 0 EEAALP CCCOc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000215221918 241113730 /nfs/dbraw/zinc/11/37/30/241113730.db2.gz LYOGWWIMOYZQQE-HNNXBMFYSA-N 2 2 333.476 2.336 50 0 EEAALP C[N@H+](CCCn1cccn1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000244574762 243042245 /nfs/dbraw/zinc/04/22/45/243042245.db2.gz CQYBNRMCXDIENY-HXUWFJFHSA-N 2 2 342.487 2.496 50 0 EEAALP C[N@@H+](CCCn1cccn1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000244574762 243042250 /nfs/dbraw/zinc/04/22/50/243042250.db2.gz CQYBNRMCXDIENY-HXUWFJFHSA-N 2 2 342.487 2.496 50 0 EEAALP C[NH+](CCCn1cccn1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000244574762 243042256 /nfs/dbraw/zinc/04/22/56/243042256.db2.gz CQYBNRMCXDIENY-HXUWFJFHSA-N 2 2 342.487 2.496 50 0 EEAALP C[NH+](CCCn1cccn1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000244574762 243042261 /nfs/dbraw/zinc/04/22/61/243042261.db2.gz CQYBNRMCXDIENY-HXUWFJFHSA-N 2 2 342.487 2.496 50 0 EEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)CSc3ccccc3)C2)CC1 ZINC000019335427 212017653 /nfs/dbraw/zinc/01/76/53/212017653.db2.gz MBNDQRDEYGVZPV-INIZCTEOSA-N 2 2 347.528 2.454 50 0 EEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)CSc3ccccc3)C2)CC1 ZINC000019335427 212017655 /nfs/dbraw/zinc/01/76/55/212017655.db2.gz MBNDQRDEYGVZPV-INIZCTEOSA-N 2 2 347.528 2.454 50 0 EEAALP OC1(Cn2cc[nH+]c2)CC[NH+](C[C@]2(c3ccccc3)CCOC2)CC1 ZINC000215358834 285241650 /nfs/dbraw/zinc/24/16/50/285241650.db2.gz MRDKZZUIQOENFW-LJQANCHMSA-N 2 2 341.455 2.068 50 0 EEAALP Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000077503519 462995928 /nfs/dbraw/zinc/99/59/28/462995928.db2.gz FAZLRUUZNBBNOU-UHFFFAOYSA-N 2 2 340.475 2.186 50 0 EEAALP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000105897203 463491768 /nfs/dbraw/zinc/49/17/68/463491768.db2.gz OJMPNOPMCFXEOE-UONOGXRCSA-N 2 2 331.420 2.406 50 0 EEAALP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000105897203 463491774 /nfs/dbraw/zinc/49/17/74/463491774.db2.gz OJMPNOPMCFXEOE-UONOGXRCSA-N 2 2 331.420 2.406 50 0 EEAALP C[C@@H]1C[N@@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000220683122 464118311 /nfs/dbraw/zinc/11/83/11/464118311.db2.gz KFINMYWZQAJYOY-HDICACEKSA-N 2 2 348.487 2.397 50 0 EEAALP C[C@@H]1C[N@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000220683122 464118318 /nfs/dbraw/zinc/11/83/18/464118318.db2.gz KFINMYWZQAJYOY-HDICACEKSA-N 2 2 348.487 2.397 50 0 EEAALP CCN(CC)c1nc(N)cc(-c2cc(C)cc3c2O[C@H](C[NH3+])C3)[nH+]1 ZINC000067742779 215200749 /nfs/dbraw/zinc/20/07/49/215200749.db2.gz FTUVRBWSZAQAHH-ZDUSSCGKSA-N 2 2 327.432 2.143 50 0 EEAALP CCOc1ccc([C@H](C)Nc2nc(N)[nH+]c3c2CC[NH2+]CC3)cc1F ZINC000072407401 216198784 /nfs/dbraw/zinc/19/87/84/216198784.db2.gz XJRXLYBQOZXYSG-NSHDSACASA-N 2 2 345.422 2.458 50 0 EEAALP Cc1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1F ZINC000244774236 243079204 /nfs/dbraw/zinc/07/92/04/243079204.db2.gz PQDVFNJMOQULFM-UHFFFAOYSA-N 2 2 349.450 2.259 50 0 EEAALP CN(C)c1cccc(C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000012305774 211338829 /nfs/dbraw/zinc/33/88/29/211338829.db2.gz OZTPAOBDCZYZOM-KRWDZBQOSA-N 2 2 344.503 2.041 50 0 EEAALP CN(C)c1cccc(C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000012305774 211338834 /nfs/dbraw/zinc/33/88/34/211338834.db2.gz OZTPAOBDCZYZOM-KRWDZBQOSA-N 2 2 344.503 2.041 50 0 EEAALP CC[N@H+](C)C[C@@H]1C[NH+](Cc2cnn(-c3cccc(F)c3)c2)C[C@@H]1CO ZINC000091779442 218065460 /nfs/dbraw/zinc/06/54/60/218065460.db2.gz REYRBEAYXKPWAH-IAGOWNOFSA-N 2 2 346.450 2.003 50 0 EEAALP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2cnn(-c3cccc(F)c3)c2)C[C@@H]1CO ZINC000091779442 218065463 /nfs/dbraw/zinc/06/54/63/218065463.db2.gz REYRBEAYXKPWAH-IAGOWNOFSA-N 2 2 346.450 2.003 50 0 EEAALP CC[NH+](C)C[C@@H]1C[N@H+](Cc2cnn(-c3cccc(F)c3)c2)C[C@@H]1CO ZINC000091779442 218065465 /nfs/dbraw/zinc/06/54/65/218065465.db2.gz REYRBEAYXKPWAH-IAGOWNOFSA-N 2 2 346.450 2.003 50 0 EEAALP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2cnn(-c3cccc(F)c3)c2)C[C@@H]1CO ZINC000091779442 218065467 /nfs/dbraw/zinc/06/54/67/218065467.db2.gz REYRBEAYXKPWAH-IAGOWNOFSA-N 2 2 346.450 2.003 50 0 EEAALP COCCCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000095391943 218323487 /nfs/dbraw/zinc/32/34/87/218323487.db2.gz SYGZGZGNHMQJOV-LJQANCHMSA-N 2 2 347.503 2.169 50 0 EEAALP Nc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)nc[nH+]1 ZINC000095385141 218316515 /nfs/dbraw/zinc/31/65/15/218316515.db2.gz ZGCICRCFDQTCDR-LBPRGKRZSA-N 2 2 341.444 2.144 50 0 EEAALP Nc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)[nH+]cn1 ZINC000095385141 218316516 /nfs/dbraw/zinc/31/65/16/218316516.db2.gz ZGCICRCFDQTCDR-LBPRGKRZSA-N 2 2 341.444 2.144 50 0 EEAALP CC(C)Oc1cncc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000128394615 462635345 /nfs/dbraw/zinc/63/53/45/462635345.db2.gz LEWVBNFAHUEYBP-SJPCQFCGSA-N 2 2 345.491 2.011 50 0 EEAALP CC(C)Oc1cncc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000128394615 462635349 /nfs/dbraw/zinc/63/53/49/462635349.db2.gz LEWVBNFAHUEYBP-SJPCQFCGSA-N 2 2 345.491 2.011 50 0 EEAALP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000012816551 462870924 /nfs/dbraw/zinc/87/09/24/462870924.db2.gz AAEIDFDFTGOWCY-WMLDXEAASA-N 2 2 333.476 2.435 50 0 EEAALP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000012816551 462870927 /nfs/dbraw/zinc/87/09/27/462870927.db2.gz AAEIDFDFTGOWCY-WMLDXEAASA-N 2 2 333.476 2.435 50 0 EEAALP C[NH+]1CCC2(CC(=O)N(Cc3c[nH+]cn3Cc3ccccc3)C2)CC1 ZINC000095531812 463107515 /nfs/dbraw/zinc/10/75/15/463107515.db2.gz YEUJNVAATYQIDG-UHFFFAOYSA-N 2 2 338.455 2.376 50 0 EEAALP Cc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000122242243 463249061 /nfs/dbraw/zinc/24/90/61/463249061.db2.gz RBHONRKADJECRF-UHFFFAOYSA-N 2 2 331.464 2.070 50 0 EEAALP CSCC[C@H]([NH3+])C(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082116663 463515235 /nfs/dbraw/zinc/51/52/35/463515235.db2.gz JZWAVYRWUWLMMF-HNNXBMFYSA-N 2 2 336.505 2.080 50 0 EEAALP c1cn(-c2ccc(CN3CC[NH+](C4CCOCC4)CC3)cc2)c[nH+]1 ZINC000177755782 463783365 /nfs/dbraw/zinc/78/33/65/463783365.db2.gz OMYVQUMFKDEJEO-UHFFFAOYSA-N 2 2 326.444 2.169 50 0 EEAALP C[N@@H+]1CCC[C@@H](CCNC(=O)Cn2cc[nH+]c2-c2ccccc2)C1 ZINC000067842007 215227482 /nfs/dbraw/zinc/22/74/82/215227482.db2.gz OGBPXQMHYZRJLG-INIZCTEOSA-N 2 2 326.444 2.398 50 0 EEAALP C[N@H+]1CCC[C@@H](CCNC(=O)Cn2cc[nH+]c2-c2ccccc2)C1 ZINC000067842007 215227485 /nfs/dbraw/zinc/22/74/85/215227485.db2.gz OGBPXQMHYZRJLG-INIZCTEOSA-N 2 2 326.444 2.398 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EEAALP Cc1cccc2c(CCNc3nc(N)[nH+]c4c3CC[NH2+]CC4)c[nH]c21 ZINC000072475165 216253199 /nfs/dbraw/zinc/25/31/99/216253199.db2.gz PFGGKNXHSRHPEH-UHFFFAOYSA-N 2 2 336.443 2.191 50 0 EEAALP Cc1[nH+]ccn1CCNC(=O)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000426498449 241300564 /nfs/dbraw/zinc/30/05/64/241300564.db2.gz HITWILPXLJMQPQ-INIZCTEOSA-N 2 2 330.436 2.042 50 0 EEAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)Nc2ccn(C)n2)C1 ZINC000095366096 218298826 /nfs/dbraw/zinc/29/88/26/218298826.db2.gz DQYGQWYJPZDNIP-AWEZNQCLSA-N 2 2 330.436 2.016 50 0 EEAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)Nc2ccn(C)n2)C1 ZINC000095366096 218298830 /nfs/dbraw/zinc/29/88/30/218298830.db2.gz DQYGQWYJPZDNIP-AWEZNQCLSA-N 2 2 330.436 2.016 50 0 EEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2ccccn2)CC1 ZINC000095374995 218308253 /nfs/dbraw/zinc/30/82/53/218308253.db2.gz VJZICWLZBOGPQE-UHFFFAOYSA-N 2 2 341.459 2.250 50 0 EEAALP Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CCOC[C@@H](C[NH+](C)C)C2)c1 ZINC000072158548 301160992 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EEAALP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCc3ccco3)C2)[nH+]1 ZINC000097200855 463346136 /nfs/dbraw/zinc/34/61/36/463346136.db2.gz NYHSVLLQVNHSJR-HNNXBMFYSA-N 2 2 328.416 2.033 50 0 EEAALP C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000108056982 463588978 /nfs/dbraw/zinc/58/89/78/463588978.db2.gz KEYNKXAIHAJYQA-OWCLPIDISA-N 2 2 342.443 2.159 50 0 EEAALP OC[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1-c1ccc2c(c1)OCCO2 ZINC000067787491 215211735 /nfs/dbraw/zinc/21/17/35/215211735.db2.gz YSPWWMDVHMNSMD-INIZCTEOSA-N 2 2 343.427 2.168 50 0 EEAALP OC[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1-c1ccc2c(c1)OCCO2 ZINC000067787491 215211737 /nfs/dbraw/zinc/21/17/37/215211737.db2.gz YSPWWMDVHMNSMD-INIZCTEOSA-N 2 2 343.427 2.168 50 0 EEAALP Cc1cc2[nH]c[nH+]c2c(NC(=O)CCc2cc3n(n2)CC[NH2+]C3)c1C ZINC000072431461 216223763 /nfs/dbraw/zinc/22/37/63/216223763.db2.gz CMHBHNCDFWLMME-UHFFFAOYSA-N 2 2 338.415 2.051 50 0 EEAALP CCCC(=O)N1CCN(c2cc(-n3c[nH+]c(C)c3C)nc(C)[nH+]2)CC1 ZINC000072446723 216236398 /nfs/dbraw/zinc/23/63/98/216236398.db2.gz CPHKUPDSEOARLT-UHFFFAOYSA-N 2 2 342.447 2.036 50 0 EEAALP CC[N@H+](C)C[C@@H]1C[NH+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1CO ZINC000091486557 218012803 /nfs/dbraw/zinc/01/28/03/218012803.db2.gz SIRGWGRMQHJXNJ-HUUCEWRRSA-N 2 2 326.868 2.341 50 0 EEAALP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1CO ZINC000091486557 218012805 /nfs/dbraw/zinc/01/28/05/218012805.db2.gz SIRGWGRMQHJXNJ-HUUCEWRRSA-N 2 2 326.868 2.341 50 0 EEAALP CC[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1CO ZINC000091486557 218012808 /nfs/dbraw/zinc/01/28/08/218012808.db2.gz SIRGWGRMQHJXNJ-HUUCEWRRSA-N 2 2 326.868 2.341 50 0 EEAALP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1CO ZINC000091486557 218012810 /nfs/dbraw/zinc/01/28/10/218012810.db2.gz SIRGWGRMQHJXNJ-HUUCEWRRSA-N 2 2 326.868 2.341 50 0 EEAALP CS[C@H](C)C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095372001 218305671 /nfs/dbraw/zinc/30/56/71/218305671.db2.gz SOHRSEQPTPKDSY-CQSZACIVSA-N 2 2 338.521 2.292 50 0 EEAALP CCCSc1ncc(CN2CC[N@H+](C)C3(CC[NH+](C)CC3)C2)cn1 ZINC000067805685 276020407 /nfs/dbraw/zinc/02/04/07/276020407.db2.gz WLIXNOVELUZVFI-UHFFFAOYSA-N 2 2 349.548 2.191 50 0 EEAALP CCCSc1ncc(CN2CC[N@@H+](C)C3(CC[NH+](C)CC3)C2)cn1 ZINC000067805685 276020408 /nfs/dbraw/zinc/02/04/08/276020408.db2.gz WLIXNOVELUZVFI-UHFFFAOYSA-N 2 2 349.548 2.191 50 0 EEAALP c1c[nH+]c(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)[nH]1 ZINC000019743709 463020105 /nfs/dbraw/zinc/02/01/05/463020105.db2.gz MRKVDIDEQUBLTG-SFHVURJKSA-N 2 2 325.460 2.196 50 0 EEAALP C[N@H+](CC(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1)Cc1ccncc1 ZINC000220350332 464114895 /nfs/dbraw/zinc/11/48/95/464114895.db2.gz RGIWPJVQYHALFM-GOSISDBHSA-N 2 2 341.459 2.181 50 0 EEAALP C[N@@H+](CC(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1)Cc1ccncc1 ZINC000220350332 464114898 /nfs/dbraw/zinc/11/48/98/464114898.db2.gz RGIWPJVQYHALFM-GOSISDBHSA-N 2 2 341.459 2.181 50 0 EEAALP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3ccc(C)c[nH+]3)C2)on1 ZINC000222201898 464127246 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C[C@@H]1C[N@H+](C[C@@H]2C[NH+](CCCc3ccccc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095376748 218309015 /nfs/dbraw/zinc/30/90/15/218309015.db2.gz INBAVXZZESTJMJ-IZZBFERCSA-N 2 2 346.515 2.269 50 0 EEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](CCCc3ccccc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095376748 218309018 /nfs/dbraw/zinc/30/90/18/218309018.db2.gz INBAVXZZESTJMJ-IZZBFERCSA-N 2 2 346.515 2.269 50 0 EEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095376748 218309020 /nfs/dbraw/zinc/30/90/20/218309020.db2.gz INBAVXZZESTJMJ-IZZBFERCSA-N 2 2 346.515 2.269 50 0 EEAALP C[N@@H+]1CCN(C(=O)C[C@H]2CCc3ccccc32)CC12CC[NH2+]CC2 ZINC000097546509 277090832 /nfs/dbraw/zinc/09/08/32/277090832.db2.gz GLHOJNQMCNSVKF-QGZVFWFLSA-N 2 2 327.472 2.003 50 0 EEAALP C[N@H+]1CCN(C(=O)C[C@H]2CCc3ccccc32)CC12CC[NH2+]CC2 ZINC000097546509 277090833 /nfs/dbraw/zinc/09/08/33/277090833.db2.gz GLHOJNQMCNSVKF-QGZVFWFLSA-N 2 2 327.472 2.003 50 0 EEAALP O=C(NCCC[NH+]1CCCCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000013670696 462898358 /nfs/dbraw/zinc/89/83/58/462898358.db2.gz NHNXHKYBRVSORE-UHFFFAOYSA-N 2 2 345.487 2.125 50 0 EEAALP Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000077554392 463005424 /nfs/dbraw/zinc/00/54/24/463005424.db2.gz GBOOWLXJCIMZMB-UHFFFAOYSA-N 2 2 340.475 2.186 50 0 EEAALP O=C(NC[C@@H]1CCC[N@@H+](C2CCCC2)C1)C1(Cn2cc[nH+]c2)CC1 ZINC000067920102 463068523 /nfs/dbraw/zinc/06/85/23/463068523.db2.gz REMQKCKJJJOQGO-INIZCTEOSA-N 2 2 330.476 2.434 50 0 EEAALP O=C(NC[C@@H]1CCC[N@H+](C2CCCC2)C1)C1(Cn2cc[nH+]c2)CC1 ZINC000067920102 463068525 /nfs/dbraw/zinc/06/85/25/463068525.db2.gz REMQKCKJJJOQGO-INIZCTEOSA-N 2 2 330.476 2.434 50 0 EEAALP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000106797135 463537027 /nfs/dbraw/zinc/53/70/27/463537027.db2.gz CVOYJYXEVGGURJ-CABCVRRESA-N 2 2 330.432 2.375 50 0 EEAALP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000106797135 463537033 /nfs/dbraw/zinc/53/70/33/463537033.db2.gz CVOYJYXEVGGURJ-CABCVRRESA-N 2 2 330.432 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0 EEAALP Cc1ncc2c(c1CNC(=O)c1cccc(-c3[nH]cc[nH+]3)c1)CC[NH2+]C2 ZINC000072476474 216254817 /nfs/dbraw/zinc/25/48/17/216254817.db2.gz DSGIKZFYBJLUHF-UHFFFAOYSA-N 2 2 347.422 2.356 50 0 EEAALP C[N@H+](CC(=O)NCc1ccc(F)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000216037488 241160306 /nfs/dbraw/zinc/16/03/06/241160306.db2.gz QRYDPISVZXQMKG-UHFFFAOYSA-N 2 2 347.356 2.145 50 0 EEAALP C[N@@H+](CC(=O)NCc1ccc(F)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000216037488 241160313 /nfs/dbraw/zinc/16/03/13/241160313.db2.gz QRYDPISVZXQMKG-UHFFFAOYSA-N 2 2 347.356 2.145 50 0 EEAALP CCc1[nH+]ccn1CCNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000244594154 243041440 /nfs/dbraw/zinc/04/14/40/243041440.db2.gz DHLMGPJWQIXSSE-HNNXBMFYSA-N 2 2 326.444 2.009 50 0 EEAALP CCc1[nH+]ccn1CCNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000244594154 243041446 /nfs/dbraw/zinc/04/14/46/243041446.db2.gz DHLMGPJWQIXSSE-HNNXBMFYSA-N 2 2 326.444 2.009 50 0 EEAALP Cc1[nH+]ccn1CCN(C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000244874913 243095975 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CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CC[NH+](C)CC1 ZINC000000143858 462543499 /nfs/dbraw/zinc/54/34/99/462543499.db2.gz RREYSNXSPFXJIO-UHFFFAOYSA-N 2 2 329.400 2.172 50 0 EEAALP COc1cccc(CN2CCCC[C@@H]([NH3+])C2)c1OCCn1cc[nH+]c1 ZINC000082137029 463518823 /nfs/dbraw/zinc/51/88/23/463518823.db2.gz PJXGPWSDSXBHEK-QGZVFWFLSA-N 2 2 344.459 2.284 50 0 EEAALP CC(C)n1cc[nH+]c1C1CC[NH+](CC(=O)Nc2ccn(C)n2)CC1 ZINC000244899618 464465079 /nfs/dbraw/zinc/46/50/79/464465079.db2.gz ZMXFSPNKLNZGKF-UHFFFAOYSA-N 2 2 330.436 2.016 50 0 EEAALP C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000584898302 468958842 /nfs/dbraw/zinc/95/88/42/468958842.db2.gz GTKXOFKYDFJYGQ-HNNXBMFYSA-N 2 2 332.448 2.119 50 0 EEAALP OC1CC[NH+]([C@@H]2CC[N@H+](Cc3cc4ccccc4s3)C[C@H]2O)CC1 ZINC000023367954 681370615 /nfs/dbraw/zinc/37/06/15/681370615.db2.gz CAUFNQVEMGFHFV-QZTJIDSGSA-N 2 2 346.496 2.293 50 0 EEAALP OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3cc4ccccc4s3)C[C@H]2O)CC1 ZINC000023367954 681370623 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EEAALP COc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(C[NH+](C)C)n2C)C1 ZINC000072457983 216243565 /nfs/dbraw/zinc/24/35/65/216243565.db2.gz NISGOBNJKFMVDF-MRXNPFEDSA-N 2 2 343.475 2.265 50 0 EEAALP Cc1nc(N2CCN(c3cc[nH+]cc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426697316 241327027 /nfs/dbraw/zinc/32/70/27/241327027.db2.gz JEIIDHALDYHOCX-OAHLLOKOSA-N 2 2 325.416 2.011 50 0 EEAALP C[N@@H+]1CCc2ncnc(N3CCC[NH+](Cc4cccs4)CC3)c2C1 ZINC000065473885 462777139 /nfs/dbraw/zinc/77/71/39/462777139.db2.gz HVAGBWJWWISIII-UHFFFAOYSA-N 2 2 343.500 2.238 50 0 EEAALP C[N@H+]1CCc2ncnc(N3CCC[NH+](Cc4cccs4)CC3)c2C1 ZINC000065473885 462777140 /nfs/dbraw/zinc/77/71/40/462777140.db2.gz HVAGBWJWWISIII-UHFFFAOYSA-N 2 2 343.500 2.238 50 0 EEAALP C[NH+]1CCc2ncnc(N3CCC[N@H+](Cc4cccs4)CC3)c2C1 ZINC000065473885 462777143 /nfs/dbraw/zinc/77/71/43/462777143.db2.gz HVAGBWJWWISIII-UHFFFAOYSA-N 2 2 343.500 2.238 50 0 EEAALP C[NH+]1CCc2ncnc(N3CCC[N@@H+](Cc4cccs4)CC3)c2C1 ZINC000065473885 462777145 /nfs/dbraw/zinc/77/71/45/462777145.db2.gz 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[NH3+]Cc1nc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)co1 ZINC000670471429 485655533 /nfs/dbraw/zinc/65/55/33/485655533.db2.gz IOKMHNWHKLTQGZ-KRWDZBQOSA-N 2 2 342.443 2.480 50 0 EEAALP O=C(Cc1ccsc1)N1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC001772707980 1179295867 /nfs/dbraw/zinc/29/58/67/1179295867.db2.gz ABUFQXRJLQPPAR-UHFFFAOYSA-N 2 2 332.473 2.112 50 0 EEAALP O=C(Cc1ccsc1)N1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC001772707980 1179295872 /nfs/dbraw/zinc/29/58/72/1179295872.db2.gz ABUFQXRJLQPPAR-UHFFFAOYSA-N 2 2 332.473 2.112 50 0 EEAALP OC[C@@H]1CCCCN1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000828711033 800806218 /nfs/dbraw/zinc/80/62/18/800806218.db2.gz ZVLLXYUZFXUCJE-NRFANRHFSA-N 2 2 345.531 2.130 50 0 EEAALP COc1cccc(-n2cc(C[N@H+](C)CCc3[nH+]ccn3C)cn2)c1 ZINC001506418304 1114601256 /nfs/dbraw/zinc/60/12/56/1114601256.db2.gz PQHYXFCYNFEXBS-UHFFFAOYSA-N 2 2 325.416 2.289 50 0 EEAALP COc1cccc(-n2cc(C[N@@H+](C)CCc3[nH+]ccn3C)cn2)c1 ZINC001506418304 1114601257 /nfs/dbraw/zinc/60/12/57/1114601257.db2.gz 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Cc1cccc2[nH]c(CCN(C)c3ncnc4c3CC[NH2+]CC4)[nH+]c21 ZINC000072481655 216261916 /nfs/dbraw/zinc/26/19/16/216261916.db2.gz NMSUTPMOFNRAIM-UHFFFAOYSA-N 2 2 336.443 2.028 50 0 EEAALP Cc1[nH]c2ccc(CNC(=O)Cc3cccc(OCC[NH3+])c3)cc2[nH+]1 ZINC000426485498 241294685 /nfs/dbraw/zinc/29/46/85/241294685.db2.gz AFNKOXJWDQXXJL-UHFFFAOYSA-N 2 2 338.411 2.068 50 0 EEAALP Cc1[nH]c2cc(CNC(=O)Cc3cccc(OCC[NH3+])c3)ccc2[nH+]1 ZINC000426485498 241294691 /nfs/dbraw/zinc/29/46/91/241294691.db2.gz AFNKOXJWDQXXJL-UHFFFAOYSA-N 2 2 338.411 2.068 50 0 EEAALP CC[N@H+](C)C1(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CCCCC1 ZINC000219311953 241376960 /nfs/dbraw/zinc/37/69/60/241376960.db2.gz NQTVHZHXZBTBLP-UHFFFAOYSA-N 3 2 332.496 2.330 50 0 EEAALP CC[N@@H+](C)C1(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CCCCC1 ZINC000219311953 241376966 /nfs/dbraw/zinc/37/69/66/241376966.db2.gz NQTVHZHXZBTBLP-UHFFFAOYSA-N 3 2 332.496 2.330 50 0 EEAALP CCc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000244788040 243082317 /nfs/dbraw/zinc/08/23/17/243082317.db2.gz QICPBTHADADNJH-JKSUJKDBSA-N 2 2 343.427 2.025 50 0 EEAALP CCc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000244788040 243082321 /nfs/dbraw/zinc/08/23/21/243082321.db2.gz QICPBTHADADNJH-JKSUJKDBSA-N 2 2 343.427 2.025 50 0 EEAALP Cc1ccc([C@H](C(=O)N(C)CCCc2[nH+]ccn2C)[NH+](C)C)cc1 ZINC000091694790 218048875 /nfs/dbraw/zinc/04/88/75/218048875.db2.gz NSKRVCDJAGLJBN-GOSISDBHSA-N 2 2 328.460 2.422 50 0 EEAALP C[NH+](C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)c1ccccc1F ZINC000095352755 218287485 /nfs/dbraw/zinc/28/74/85/218287485.db2.gz QQHJNMHPLWNVJG-QGZVFWFLSA-N 2 2 333.451 2.373 50 0 EEAALP C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(c2cc[nH+]cc2F)CC3)C1 ZINC000095367471 218300624 /nfs/dbraw/zinc/30/06/24/218300624.db2.gz BZZDQTMEJAIFRR-OAHLLOKOSA-N 2 2 346.450 2.134 50 0 EEAALP C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(c2cc[nH+]cc2F)CC3)C1 ZINC000095367471 218300626 /nfs/dbraw/zinc/30/06/26/218300626.db2.gz BZZDQTMEJAIFRR-OAHLLOKOSA-N 2 2 346.450 2.134 50 0 EEAALP Cc1cnc(C)c(N2CCC[C@H](c3[nH+]ccn3CC[NH+](C)C)C2)n1 ZINC000095390291 218321814 /nfs/dbraw/zinc/32/18/14/218321814.db2.gz YXSFTDQWOZIPMV-INIZCTEOSA-N 2 2 328.464 2.236 50 0 EEAALP Cc1[nH+]c2ccccn2c1CN(C)C(=O)CC[C@H](C)[NH+]1CCOCC1 ZINC000299781767 258090208 /nfs/dbraw/zinc/09/02/08/258090208.db2.gz DWZCCDQIXPMRNM-HNNXBMFYSA-N 2 2 344.459 2.102 50 0 EEAALP CO[C@]12CC[N@H+](CCc3[nH]c4ccc(C)cc4[nH+]3)[C@H]1C[C@H](O)CC2 ZINC000299782747 258091261 /nfs/dbraw/zinc/09/12/61/258091261.db2.gz YMJQQMTVUGOGFK-DKSSEZFCSA-N 2 2 329.444 2.418 50 0 EEAALP CO[C@]12CC[N@@H+](CCc3[nH]c4ccc(C)cc4[nH+]3)[C@H]1C[C@H](O)CC2 ZINC000299782747 258091262 /nfs/dbraw/zinc/09/12/62/258091262.db2.gz YMJQQMTVUGOGFK-DKSSEZFCSA-N 2 2 329.444 2.418 50 0 EEAALP Cc1cncc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000122156231 222025732 /nfs/dbraw/zinc/02/57/32/222025732.db2.gz RICMNFNNKZZURP-UHFFFAOYSA-N 2 2 331.464 2.070 50 0 EEAALP OCC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccsc1 ZINC000107016015 463556496 /nfs/dbraw/zinc/55/64/96/463556496.db2.gz ZJRYMQFWEKNFDK-AWEZNQCLSA-N 2 2 343.456 2.093 50 0 EEAALP OCC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccsc1 ZINC000107016015 463556499 /nfs/dbraw/zinc/55/64/99/463556499.db2.gz ZJRYMQFWEKNFDK-AWEZNQCLSA-N 2 2 343.456 2.093 50 0 EEAALP Cc1ccc[nH+]c1NCCNC(=O)[C@@H](c1ccccc1F)[NH+](C)C ZINC000220462550 464116840 /nfs/dbraw/zinc/11/68/40/464116840.db2.gz WLCMVHHLNQREIW-MRXNPFEDSA-N 2 2 330.407 2.360 50 0 EEAALP CCC1CC[NH+](CCNC(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)CC1 ZINC000534639250 485550685 /nfs/dbraw/zinc/55/06/85/485550685.db2.gz ORCUYNVTCQPBMZ-GOSISDBHSA-N 2 2 347.507 2.427 50 0 EEAALP Cc1ccc(NC(=O)C[NH+](C)C)c(NC(=O)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000952991213 796166642 /nfs/dbraw/zinc/16/66/42/796166642.db2.gz ZXGIRWINEHPJCX-HNNXBMFYSA-N 2 2 346.475 2.166 50 0 EEAALP Cc1ccc(NC(=O)C[NH+](C)C)c(NC(=O)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000952991213 796166646 /nfs/dbraw/zinc/16/66/46/796166646.db2.gz ZXGIRWINEHPJCX-HNNXBMFYSA-N 2 2 346.475 2.166 50 0 EEAALP Cn1nncc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000110697467 220058049 /nfs/dbraw/zinc/05/80/49/220058049.db2.gz XOPYNWXSWRWJJP-LRDDRELGSA-N 2 2 337.830 2.390 50 0 EEAALP Cn1nncc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000110697467 220058051 /nfs/dbraw/zinc/05/80/51/220058051.db2.gz XOPYNWXSWRWJJP-LRDDRELGSA-N 2 2 337.830 2.390 50 0 EEAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000091695339 218050577 /nfs/dbraw/zinc/05/05/77/218050577.db2.gz IANKVLQYBWEALS-SFHVURJKSA-N 2 2 326.444 2.151 50 0 EEAALP Fc1ccc([C@@H]2CN(C3CC[NH2+]CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095370842 218304144 /nfs/dbraw/zinc/30/41/44/218304144.db2.gz PHTJMGJEMSLQDQ-XUVXKRRUSA-N 2 2 329.463 2.440 50 0 EEAALP Cc1[nH+]cn(CC(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)c1C ZINC000299793435 258098641 /nfs/dbraw/zinc/09/86/41/258098641.db2.gz IAISAZIZVYSJAE-SFHVURJKSA-N 2 2 326.444 2.015 50 0 EEAALP Cc1[nH+]cn(CC(=O)N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)c1C ZINC000299793435 258098643 /nfs/dbraw/zinc/09/86/43/258098643.db2.gz IAISAZIZVYSJAE-SFHVURJKSA-N 2 2 326.444 2.015 50 0 EEAALP Cc1cc(N2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)cc[nH+]1 ZINC000077538925 463001844 /nfs/dbraw/zinc/00/18/44/463001844.db2.gz WOZQOTLONLPFSH-UHFFFAOYSA-N 2 2 340.475 2.498 50 0 EEAALP CCC[NH+]1CCC(CCNC(=O)N2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000426440207 535350863 /nfs/dbraw/zinc/35/08/63/535350863.db2.gz CBSXIJKGOHKYDR-UHFFFAOYSA-N 2 2 333.480 2.298 50 0 EEAALP CCC[NH+]1CCC(CCNC(=O)N2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000426440207 535350871 /nfs/dbraw/zinc/35/08/71/535350871.db2.gz CBSXIJKGOHKYDR-UHFFFAOYSA-N 2 2 333.480 2.298 50 0 EEAALP Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067741382 215201301 /nfs/dbraw/zinc/20/13/01/215201301.db2.gz JUDQCONGZJPSJW-JZXOWHBKSA-N 2 2 348.491 2.072 50 0 EEAALP Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067741382 215201305 /nfs/dbraw/zinc/20/13/05/215201305.db2.gz JUDQCONGZJPSJW-JZXOWHBKSA-N 2 2 348.491 2.072 50 0 EEAALP O[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2-c2ccc3c(c2)CCO3)C1 ZINC000067967760 215261998 /nfs/dbraw/zinc/26/19/98/215261998.db2.gz BCOXYYDWFQFWRX-QGZVFWFLSA-N 2 2 327.428 2.332 50 0 EEAALP O[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2-c2ccc3c(c2)CCO3)C1 ZINC000067967760 215261999 /nfs/dbraw/zinc/26/19/99/215261999.db2.gz BCOXYYDWFQFWRX-QGZVFWFLSA-N 2 2 327.428 2.332 50 0 EEAALP C[NH+](C)Cc1csc(C[NH+]2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000072434206 216228973 /nfs/dbraw/zinc/22/89/73/216228973.db2.gz IOKVJCRHBFROOZ-KRWDZBQOSA-N 3 2 337.533 2.231 50 0 EEAALP C[NH+](C)Cc1csc(C[NH+]2CCC([N@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000072434206 216228976 /nfs/dbraw/zinc/22/89/76/216228976.db2.gz IOKVJCRHBFROOZ-KRWDZBQOSA-N 3 2 337.533 2.231 50 0 EEAALP CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000216115826 241167805 /nfs/dbraw/zinc/16/78/05/241167805.db2.gz IKJOXESGQLPMRY-INIZCTEOSA-N 2 2 333.457 2.129 50 0 EEAALP CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000216115826 241167812 /nfs/dbraw/zinc/16/78/12/241167812.db2.gz IKJOXESGQLPMRY-INIZCTEOSA-N 2 2 333.457 2.129 50 0 EEAALP CCn1cc[nH+]c1CN1CC[N@H+](CC2CCCCC2)[C@@H](CCO)C1 ZINC000020452966 212130881 /nfs/dbraw/zinc/13/08/81/212130881.db2.gz CHCHDXYQXBVRHU-SFHVURJKSA-N 2 2 334.508 2.352 50 0 EEAALP CCn1cc[nH+]c1CN1CC[N@@H+](CC2CCCCC2)[C@@H](CCO)C1 ZINC000020452966 212130884 /nfs/dbraw/zinc/13/08/84/212130884.db2.gz CHCHDXYQXBVRHU-SFHVURJKSA-N 2 2 334.508 2.352 50 0 EEAALP COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000020206720 212112153 /nfs/dbraw/zinc/11/21/53/212112153.db2.gz QKRLCWWFCNYYNE-QGZVFWFLSA-N 2 2 345.487 2.292 50 0 EEAALP COc1cc(C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000020206720 212112157 /nfs/dbraw/zinc/11/21/57/212112157.db2.gz QKRLCWWFCNYYNE-QGZVFWFLSA-N 2 2 345.487 2.292 50 0 EEAALP Nc1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000091831065 218072529 /nfs/dbraw/zinc/07/25/29/218072529.db2.gz AHTBMZQQLBGLRS-OAHLLOKOSA-N 2 2 335.415 2.083 50 0 EEAALP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2nc3ccccc3nc2C)C1 ZINC000097515166 219032695 /nfs/dbraw/zinc/03/26/95/219032695.db2.gz GXCFWSQCCHHXLX-INIZCTEOSA-N 2 2 328.460 2.338 50 0 EEAALP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2nc3ccccc3nc2C)C1 ZINC000097515166 219032696 /nfs/dbraw/zinc/03/26/96/219032696.db2.gz GXCFWSQCCHHXLX-INIZCTEOSA-N 2 2 328.460 2.338 50 0 EEAALP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2nc3ccccc3nc2C)C1 ZINC000097515166 219032699 /nfs/dbraw/zinc/03/26/99/219032699.db2.gz GXCFWSQCCHHXLX-INIZCTEOSA-N 2 2 328.460 2.338 50 0 EEAALP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2nc3ccccc3nc2C)C1 ZINC000097515166 219032701 /nfs/dbraw/zinc/03/27/01/219032701.db2.gz GXCFWSQCCHHXLX-INIZCTEOSA-N 2 2 328.460 2.338 50 0 EEAALP O=C(c1ccccc1)C12C[NH2+]CC(C(=O)c3ccccc3)(C[NH2+]C1)C2 ZINC000005681663 462666298 /nfs/dbraw/zinc/66/62/98/462666298.db2.gz FUNIALIPPOFMBT-UHFFFAOYSA-N 2 2 334.419 2.322 50 0 biogenic EEAALP CSCCC[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C)CC1 ZINC000096149240 463187953 /nfs/dbraw/zinc/18/79/53/463187953.db2.gz YAQIUHFVLCZURD-UHFFFAOYSA-N 2 2 337.537 2.343 50 0 EEAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cnn(C)c1C ZINC000252492052 464967990 /nfs/dbraw/zinc/96/79/90/464967990.db2.gz MBMXBFCATHWEMO-MRXNPFEDSA-N 2 2 344.463 2.117 50 0 EEAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cnn(C)c1C ZINC000252492052 464967999 /nfs/dbraw/zinc/96/79/99/464967999.db2.gz MBMXBFCATHWEMO-MRXNPFEDSA-N 2 2 344.463 2.117 50 0 EEAALP O=c1ccc2cc(C[N@H+]3CC[C@@](O)(C[NH+]4CCCCC4)C3)c[nH]c-2c1 ZINC000077518800 462999040 /nfs/dbraw/zinc/99/90/40/462999040.db2.gz DFVSGMUPDVAHHZ-HXUWFJFHSA-N 2 2 341.455 2.363 50 0 EEAALP O=c1ccc2cc(C[N@@H+]3CC[C@@](O)(C[NH+]4CCCCC4)C3)c[nH]c-2c1 ZINC000077518800 462999044 /nfs/dbraw/zinc/99/90/44/462999044.db2.gz DFVSGMUPDVAHHZ-HXUWFJFHSA-N 2 2 341.455 2.363 50 0 EEAALP O=c1ccc2cc(C[N@H+]3CC[C@](O)(C[NH+]4CCCCC4)C3)c[nH]c-2c1 ZINC000077518795 462999208 /nfs/dbraw/zinc/99/92/08/462999208.db2.gz DFVSGMUPDVAHHZ-FQEVSTJZSA-N 2 2 341.455 2.363 50 0 EEAALP O=c1ccc2cc(C[N@@H+]3CC[C@](O)(C[NH+]4CCCCC4)C3)c[nH]c-2c1 ZINC000077518795 462999211 /nfs/dbraw/zinc/99/92/11/462999211.db2.gz DFVSGMUPDVAHHZ-FQEVSTJZSA-N 2 2 341.455 2.363 50 0 EEAALP CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071575513 463417931 /nfs/dbraw/zinc/41/79/31/463417931.db2.gz DFLSWJZCXNBISJ-SFHVURJKSA-N 2 2 344.503 2.236 50 0 EEAALP CCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071575513 463417934 /nfs/dbraw/zinc/41/79/34/463417934.db2.gz DFLSWJZCXNBISJ-SFHVURJKSA-N 2 2 344.503 2.236 50 0 EEAALP CC(=O)N1CC[NH+](Cc2ccccc2OCC[NH+]2CCCCC2)CC1 ZINC000215931035 464107400 /nfs/dbraw/zinc/10/74/00/464107400.db2.gz ICUNIZLOIVUIQV-UHFFFAOYSA-N 2 2 345.487 2.215 50 0 EEAALP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000423797072 466842144 /nfs/dbraw/zinc/84/21/44/466842144.db2.gz HYLCXTUHIZVFEX-IBGZPJMESA-N 2 2 340.427 2.039 50 0 EEAALP Cc1[nH]c2c([nH+]1)CCN(C(=O)C1(c3ccccc3)CC[NH+](C)CC1)C2 ZINC000584892100 468957472 /nfs/dbraw/zinc/95/74/72/468957472.db2.gz OXGVABKYRVKMLH-UHFFFAOYSA-N 2 2 338.455 2.266 50 0 EEAALP Cc1[nH]c2c([nH+]1)CN(C(=O)C1(c3ccccc3)CC[NH+](C)CC1)CC2 ZINC000584892100 468957476 /nfs/dbraw/zinc/95/74/76/468957476.db2.gz OXGVABKYRVKMLH-UHFFFAOYSA-N 2 2 338.455 2.266 50 0 EEAALP OC[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000670445118 485644406 /nfs/dbraw/zinc/64/44/06/485644406.db2.gz ZFUFFKNYLMOJJB-MRXNPFEDSA-N 2 2 337.895 2.166 50 0 EEAALP OC[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000670445118 485644411 /nfs/dbraw/zinc/64/44/11/485644411.db2.gz ZFUFFKNYLMOJJB-MRXNPFEDSA-N 2 2 337.895 2.166 50 0 EEAALP CC(C)(C)c1ccc(C(=O)CCC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(CO)C2)cc1 ZINC001772710748 1179301734 /nfs/dbraw/zinc/30/17/34/1179301734.db2.gz OOCFMJYZZHLGPI-GHTZIAJQSA-N 2 2 344.499 2.461 50 0 EEAALP CC(C)(C)c1ccc(C(=O)CCC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(CO)C2)cc1 ZINC001772710748 1179301742 /nfs/dbraw/zinc/30/17/42/1179301742.db2.gz OOCFMJYZZHLGPI-GHTZIAJQSA-N 2 2 344.499 2.461 50 0 EEAALP C[C@H](CNc1nc(-c2ccccn2)nc2c1CC[NH2+]CC2)n1cc[nH+]c1 ZINC000072426314 1253494281 /nfs/dbraw/zinc/49/42/81/1253494281.db2.gz UEHMAGDQOLEMNY-CQSZACIVSA-N 2 2 349.442 2.096 50 0 EEAALP COc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(C[NH+](C)C)n2C)C1 ZINC000072457985 216243465 /nfs/dbraw/zinc/24/34/65/216243465.db2.gz NISGOBNJKFMVDF-INIZCTEOSA-N 2 2 343.475 2.265 50 0 EEAALP COc1ccccc1C[N@H+]1CCC[C@H](c2nnc(C[NH+](C)C)n2C)C1 ZINC000072457985 216243467 /nfs/dbraw/zinc/24/34/67/216243467.db2.gz NISGOBNJKFMVDF-INIZCTEOSA-N 2 2 343.475 2.265 50 0 EEAALP CCCCN1CCc2[nH+]c[nH]c2C12CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000091519184 218017080 /nfs/dbraw/zinc/01/70/80/218017080.db2.gz WLPBLQLPHTUNNU-INIZCTEOSA-N 2 2 332.492 2.396 50 0 EEAALP Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)o1 ZINC000095356356 218289793 /nfs/dbraw/zinc/28/97/93/218289793.db2.gz SUFDZRCYBDSWNL-OAHLLOKOSA-N 2 2 340.431 2.341 50 0 EEAALP Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)o1 ZINC000095356356 218289797 /nfs/dbraw/zinc/28/97/97/218289797.db2.gz SUFDZRCYBDSWNL-OAHLLOKOSA-N 2 2 340.431 2.341 50 0 EEAALP O=C([C@H]1CCC[NH2+]CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000534670821 468273081 /nfs/dbraw/zinc/27/30/81/468273081.db2.gz FKQFJRKLRPQGSU-MEQKGCOVSA-N 2 2 327.472 2.234 50 0 EEAALP c1cncc(C[NH+]2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)c1 ZINC000077424939 462983600 /nfs/dbraw/zinc/98/36/00/462983600.db2.gz GHRBZAQMBVRNLP-IBGZPJMESA-N 2 2 345.487 2.364 50 0 EEAALP C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3[nH+]cnc4[nH]ccc43)cc2)C1 ZINC000534587346 468265580 /nfs/dbraw/zinc/26/55/80/468265580.db2.gz UBZDVBOBBYGWKS-HNNXBMFYSA-N 2 2 335.411 2.401 50 0 EEAALP C([C@H]1C[N@@H+](C2CSCCSC2)CCCO1)[NH+]1CCCCC1 ZINC001506417212 1188312266 /nfs/dbraw/zinc/31/22/66/1188312266.db2.gz HDVZVZBAYIYFFS-INIZCTEOSA-N 2 2 330.563 2.412 50 0 EEAALP C([C@H]1C[N@H+](C2CSCCSC2)CCCO1)[NH+]1CCCCC1 ZINC001506417212 1188312269 /nfs/dbraw/zinc/31/22/69/1188312269.db2.gz HDVZVZBAYIYFFS-INIZCTEOSA-N 2 2 330.563 2.412 50 0 EEAALP CC[N@@H+]1CCC[C@H]1C(=O)N(CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000823112158 798699156 /nfs/dbraw/zinc/69/91/56/798699156.db2.gz LCTYFEQXCWNLMT-SFHVURJKSA-N 2 2 341.459 2.181 50 0 EEAALP CC[N@H+]1CCC[C@H]1C(=O)N(CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000823112158 798699162 /nfs/dbraw/zinc/69/91/62/798699162.db2.gz LCTYFEQXCWNLMT-SFHVURJKSA-N 2 2 341.459 2.181 50 0 EEAALP Cn1c2ccc(C[NH2+]CCCc3[nH]c4ccccc4[nH+]3)cc2n(C)c1=O ZINC000035287269 213018359 /nfs/dbraw/zinc/01/83/59/213018359.db2.gz KAPUBASYBAYVIS-UHFFFAOYSA-N 2 2 349.438 2.476 50 0 EEAALP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cnn(C)c3C3CC3)CC2)C[C@H](C)O1 ZINC000072474915 216253058 /nfs/dbraw/zinc/25/30/58/216253058.db2.gz YPUFNZDWFPYESQ-GASCZTMLSA-N 2 2 332.492 2.371 50 0 EEAALP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cnn(C)c3C3CC3)CC2)C[C@H](C)O1 ZINC000072474915 216253060 /nfs/dbraw/zinc/25/30/60/216253060.db2.gz YPUFNZDWFPYESQ-GASCZTMLSA-N 2 2 332.492 2.371 50 0 EEAALP CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(C)c1)C2 ZINC000426517982 241302866 /nfs/dbraw/zinc/30/28/66/241302866.db2.gz UFVDUKQQTNOILY-FQEVSTJZSA-N 2 2 329.488 2.419 50 0 EEAALP CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(C)c1)C2 ZINC000426517982 241302868 /nfs/dbraw/zinc/30/28/68/241302868.db2.gz UFVDUKQQTNOILY-FQEVSTJZSA-N 2 2 329.488 2.419 50 0 EEAALP CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000426517982 241302872 /nfs/dbraw/zinc/30/28/72/241302872.db2.gz UFVDUKQQTNOILY-FQEVSTJZSA-N 2 2 329.488 2.419 50 0 EEAALP CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(C)c1)C2 ZINC000426517982 241302873 /nfs/dbraw/zinc/30/28/73/241302873.db2.gz UFVDUKQQTNOILY-FQEVSTJZSA-N 2 2 329.488 2.419 50 0 EEAALP COc1ccc2[nH]c(=O)c(C[N@@H+]3C[C@H]4CC[C@@H]3C[NH+](C)C4)cc2c1 ZINC000091562956 218022919 /nfs/dbraw/zinc/02/29/19/218022919.db2.gz JRFDUVDXMIICGR-XJKSGUPXSA-N 2 2 327.428 2.063 50 0 EEAALP COc1ccc2[nH]c(=O)c(C[N@H+]3C[C@H]4CC[C@@H]3C[NH+](C)C4)cc2c1 ZINC000091562956 218022921 /nfs/dbraw/zinc/02/29/21/218022921.db2.gz JRFDUVDXMIICGR-XJKSGUPXSA-N 2 2 327.428 2.063 50 0 EEAALP COc1ccc2[nH]c(=O)c(C[NH+]3C[C@H]4CC[C@@H]3C[N@H+](C)C4)cc2c1 ZINC000091562956 218022923 /nfs/dbraw/zinc/02/29/23/218022923.db2.gz JRFDUVDXMIICGR-XJKSGUPXSA-N 2 2 327.428 2.063 50 0 EEAALP COc1ccc2[nH]c(=O)c(C[NH+]3C[C@H]4CC[C@@H]3C[N@@H+](C)C4)cc2c1 ZINC000091562956 218022924 /nfs/dbraw/zinc/02/29/24/218022924.db2.gz JRFDUVDXMIICGR-XJKSGUPXSA-N 2 2 327.428 2.063 50 0 EEAALP COc1ccc(C[N@H+]2C[C@@H](C[NH+](C)C)C[C@H](CO)C2)cc1Cl ZINC000091603493 218030561 /nfs/dbraw/zinc/03/05/61/218030561.db2.gz YSYZOVGSKCXRPX-CABCVRRESA-N 2 2 326.868 2.341 50 0 EEAALP COc1ccc(C[N@@H+]2C[C@@H](C[NH+](C)C)C[C@H](CO)C2)cc1Cl ZINC000091603493 218030564 /nfs/dbraw/zinc/03/05/64/218030564.db2.gz YSYZOVGSKCXRPX-CABCVRRESA-N 2 2 326.868 2.341 50 0 EEAALP CCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071767957 463424584 /nfs/dbraw/zinc/42/45/84/463424584.db2.gz NAKGBFYQXDQFHD-GOSISDBHSA-N 2 2 344.503 2.284 50 0 EEAALP CCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071767957 463424587 /nfs/dbraw/zinc/42/45/87/463424587.db2.gz NAKGBFYQXDQFHD-GOSISDBHSA-N 2 2 344.503 2.284 50 0 EEAALP Nc1nc(N2CCc3c(Cl)cccc3C2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000222573556 464131833 /nfs/dbraw/zinc/13/18/33/464131833.db2.gz WSQDCIRXQDGUNQ-UHFFFAOYSA-N 2 2 329.835 2.480 50 0 EEAALP CC(C)[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1[nH+]ccn1C ZINC000534589076 468267032 /nfs/dbraw/zinc/26/70/32/468267032.db2.gz ICSMFWGJBKNRMQ-MRXNPFEDSA-N 2 2 333.480 2.387 50 0 EEAALP