smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@@H](C)[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000989609263 1106478114 /nfs/dbraw/zinc/47/81/14/1106478114.db2.gz UBZVRGLMFVHDOR-CYBMUJFWSA-N 1 0 340.851 2.531 50 0 EFAARO C[NH+](C)CCOc1ccccc1-c1nccn1[C@H]1CCCC[C@@H]1O ZINC000082120631 1109796300 /nfs/dbraw/zinc/79/63/00/1109796300.db2.gz XYTNCBXSVVNVCZ-IRXDYDNUSA-N 1 0 329.444 2.967 50 0 EFAARO Cc1ccc(N2CCC([NH2+]C[C@@H]3C[C@H](F)CN3)CC2)cc1Cl ZINC000082146487 1109802267 /nfs/dbraw/zinc/80/22/67/1109802267.db2.gz JZVLPPBQTGVUMV-ZFWWWQNUSA-N 1 0 325.859 2.907 50 0 EFAARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(-c4cccnc4)nc3c12 ZINC000006758245 201696034 /nfs/dbraw/zinc/69/60/34/201696034.db2.gz HBEDIKILJYDPNF-UHFFFAOYSA-N 1 0 349.442 2.710 50 0 EFAARO CCC[NH2+]C[C@@H](O)COc1ccc(C(=O)CC)cc1COCCC ZINC000004566623 210222482 /nfs/dbraw/zinc/22/24/82/210222482.db2.gz TTZIGRYGGNHIGS-QGZVFWFLSA-N 1 0 337.460 2.945 50 0 EFAARO CC(C)(C)CN1CCC[C@]2(CC[N@H+](CCCn3cccn3)C2)C1=O ZINC000011813635 201815238 /nfs/dbraw/zinc/81/52/38/201815238.db2.gz ZKILPIVRMYIZQP-LJQANCHMSA-N 1 0 332.492 2.634 50 0 EFAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cn(CCC3CCCCC3)nn2)C1 ZINC000012075357 201822829 /nfs/dbraw/zinc/82/28/29/201822829.db2.gz YVBQCCIIESICAT-KRWDZBQOSA-N 1 0 347.507 2.805 50 0 EFAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)cc1F ZINC000012454588 201848992 /nfs/dbraw/zinc/84/89/92/201848992.db2.gz NTZAJRQVAOOZIR-HNNXBMFYSA-N 1 0 345.418 2.971 50 0 EFAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH2+]CC1CC1)CC2 ZINC000014733009 201940724 /nfs/dbraw/zinc/94/07/24/201940724.db2.gz JUBOBGSXIBANBE-INIZCTEOSA-N 1 0 344.503 2.680 50 0 EFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]C3CCC3)C2=O)cc1 ZINC000014954309 201944160 /nfs/dbraw/zinc/94/41/60/201944160.db2.gz OXLZUSPWFVCCLZ-FQEVSTJZSA-N 1 0 330.472 2.806 50 0 EFAARO CC[NH+](CC)Cc1cc2ccc(Cl)cc2n(CC(=O)OC)c1=O ZINC000014989341 201946236 /nfs/dbraw/zinc/94/62/36/201946236.db2.gz LGNMSNMRLKEDFW-UHFFFAOYSA-N 1 0 336.819 2.670 50 0 EFAARO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2C)C1 ZINC000067755022 215202980 /nfs/dbraw/zinc/20/29/80/215202980.db2.gz QHLZGEMXSKRSQT-MRXNPFEDSA-N 1 0 344.459 2.596 50 0 EFAARO Cc1ncc2c(c1-c1noc(CCc3cccs3)n1)CC[NH2+]C2 ZINC000019221537 202001767 /nfs/dbraw/zinc/00/17/67/202001767.db2.gz LTLDHZCBKUFCNA-UHFFFAOYSA-N 1 0 326.425 2.932 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+][C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000019533477 202010648 /nfs/dbraw/zinc/01/06/48/202010648.db2.gz LEFMFIUYTZNGGI-JQFCIGGWSA-N 1 0 330.428 2.886 50 0 EFAARO OCC[C@H]1CN(Cc2cccc(O)c2)CC[N@@H+]1Cc1cccs1 ZINC000019535594 202010912 /nfs/dbraw/zinc/01/09/12/202010912.db2.gz UQDXFNAOYIBGLL-INIZCTEOSA-N 1 0 332.469 2.523 50 0 EFAARO OCC[C@H]1C[N@@H+](C2CCSCC2)CCN1Cc1ccc(F)cc1 ZINC000019720637 202016493 /nfs/dbraw/zinc/01/64/93/202016493.db2.gz HTDXJHQMXHLLLF-SFHVURJKSA-N 1 0 338.492 2.590 50 0 EFAARO COCc1cn(C2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)nn1 ZINC000019739530 202018487 /nfs/dbraw/zinc/01/84/87/202018487.db2.gz JUHYHXUMAWWYEL-LJQANCHMSA-N 1 0 326.444 2.619 50 0 EFAARO O=C1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000019782519 202020272 /nfs/dbraw/zinc/02/02/72/202020272.db2.gz QQPSIMCQRQXJSW-MRXNPFEDSA-N 1 0 328.799 2.804 50 0 EFAARO CN(CC[NH+]1CCCCC1)Cc1nc(Cc2ccccc2F)no1 ZINC000019792599 202021471 /nfs/dbraw/zinc/02/14/71/202021471.db2.gz JJYSTMWIMCMRIW-UHFFFAOYSA-N 1 0 332.423 2.717 50 0 EFAARO COC(=O)c1cccc(CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019802350 202021867 /nfs/dbraw/zinc/02/18/67/202021867.db2.gz QSMCUEYNVUETBH-UHFFFAOYSA-N 1 0 338.451 2.834 50 0 EFAARO COc1ccc(OCC(=O)N2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000019841982 202023284 /nfs/dbraw/zinc/02/32/84/202023284.db2.gz SKUSXVFPLNSWDB-APWZRJJASA-N 1 0 346.471 2.797 50 0 EFAARO CNc1ncccc1C[NH+]1CCC(Cn2cc(C(C)(C)C)nn2)CC1 ZINC000019853335 202023912 /nfs/dbraw/zinc/02/39/12/202023912.db2.gz ZJHZSANCRFHHJJ-UHFFFAOYSA-N 1 0 342.491 2.925 50 0 EFAARO Cc1ccc(OCC(=O)N2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019841919 202024541 /nfs/dbraw/zinc/02/45/41/202024541.db2.gz PSSBCZKPPVJWCN-QYZOEREBSA-N 1 0 340.467 2.730 50 0 EFAARO CC[NH+](CC)CCN1C(=O)C[C@H]2Sc3ccc(OC)cc3N=C21 ZINC000020030914 202028505 /nfs/dbraw/zinc/02/85/05/202028505.db2.gz YMANHNIKRNPNQW-OAHLLOKOSA-N 1 0 333.457 2.774 50 0 EFAARO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020100520 202031882 /nfs/dbraw/zinc/03/18/82/202031882.db2.gz HLAAQTFPDBABJX-UHFFFAOYSA-N 1 0 336.451 2.969 50 0 EFAARO CN1CC[NH+](CCCCOc2cccc(Br)c2)CC1 ZINC000020118068 202032523 /nfs/dbraw/zinc/03/25/23/202032523.db2.gz DTZNQXCKEWVBBK-UHFFFAOYSA-N 1 0 327.266 2.856 50 0 EFAARO C[N@@H+]1CCCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000020219059 202034793 /nfs/dbraw/zinc/03/47/93/202034793.db2.gz PQSJWVGENCUNJD-UHFFFAOYSA-N 1 0 340.349 2.893 50 0 EFAARO OCC[C@H]1CN(Cc2ccc3nsnc3c2)CC[N@@H+]1C1CCCC1 ZINC000020271877 202037000 /nfs/dbraw/zinc/03/70/00/202037000.db2.gz PSTIOJFSAOTWCU-INIZCTEOSA-N 1 0 346.500 2.503 50 0 EFAARO CC(C)(C)c1ccc(OCC[NH2+]CCN2CCOCC2)c(Cl)c1 ZINC000020482245 202045497 /nfs/dbraw/zinc/04/54/97/202045497.db2.gz BMIYLYCAXRLVPM-UHFFFAOYSA-N 1 0 340.895 2.938 50 0 EFAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc1OC ZINC000020540308 202047952 /nfs/dbraw/zinc/04/79/52/202047952.db2.gz IUMQWKYMEVIVEF-SFHVURJKSA-N 1 0 348.487 2.515 50 0 EFAARO CN(Cc1cnn(C)c1)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000020539787 202048140 /nfs/dbraw/zinc/04/81/40/202048140.db2.gz MYLMLKJTNSTWGS-KRWDZBQOSA-N 1 0 344.478 2.946 50 0 EFAARO CCOc1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc1 ZINC000020536270 202048174 /nfs/dbraw/zinc/04/81/74/202048174.db2.gz FCEMOMJUSIMXON-IBGZPJMESA-N 1 0 332.488 2.897 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2ccc(OC(F)F)cc2)C[C@@H]1CCO ZINC000020363707 202039784 /nfs/dbraw/zinc/03/97/84/202039784.db2.gz PNZPOJMRCHYLKU-INIZCTEOSA-N 1 0 342.430 2.813 50 0 EFAARO C[C@@H](CN1CC[NH+](Cc2ccccc2)CC1)OC(=O)c1ccco1 ZINC000020807524 202055167 /nfs/dbraw/zinc/05/51/67/202055167.db2.gz HAWPSLKOAHRPCO-INIZCTEOSA-N 1 0 328.412 2.643 50 0 EFAARO CC1(C)C[C@@](CC[NH2+]CCN2CCOCC2)(c2ccccc2)CCO1 ZINC000020590887 202049979 /nfs/dbraw/zinc/04/99/79/202049979.db2.gz OGERAVIXLJTYGW-NRFANRHFSA-N 1 0 346.515 2.825 50 0 EFAARO CCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000020595144 202050363 /nfs/dbraw/zinc/05/03/63/202050363.db2.gz HNGHREAGZGYYLZ-UHFFFAOYSA-N 1 0 330.259 2.960 50 0 EFAARO Cc1cc(C[NH+]2CCC(Cn3cc(C4CCCC4)nn3)CC2)[nH]n1 ZINC000020599806 202050444 /nfs/dbraw/zinc/05/04/44/202050444.db2.gz RPYNIWAPTTZIRD-UHFFFAOYSA-N 1 0 328.464 2.879 50 0 EFAARO CC(C)(C)C[N@@H+]1CCN(Cc2c(F)cccc2F)C[C@@H]1CCO ZINC000020907765 202058095 /nfs/dbraw/zinc/05/80/95/202058095.db2.gz LMLVOUMSRFXBLR-AWEZNQCLSA-N 1 0 326.431 2.880 50 0 EFAARO COc1ccc(CN2CC[N@H+](CC(C)C)C[C@@H]2CCO)c(C)c1C ZINC000020911857 202058304 /nfs/dbraw/zinc/05/83/04/202058304.db2.gz GROSRWYDWQZNSW-IBGZPJMESA-N 1 0 334.504 2.837 50 0 EFAARO CCc1nc(C)c(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)[nH]1 ZINC000020905650 202058688 /nfs/dbraw/zinc/05/86/88/202058688.db2.gz OXQVEPRNOJEWPL-SFHVURJKSA-N 1 0 348.535 2.729 50 0 EFAARO Cc1cc(C)n([C@H](C)c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)n1 ZINC000020993197 202059489 /nfs/dbraw/zinc/05/94/89/202059489.db2.gz KQZXMWIPUCOXTH-CYBMUJFWSA-N 1 0 338.415 2.508 50 0 EFAARO NC(=O)C1CC[NH+](Cc2c[nH]nc2-c2cccc3ccccc32)CC1 ZINC000020999839 202061031 /nfs/dbraw/zinc/06/10/31/202061031.db2.gz OCTVNFFOIUVUNY-UHFFFAOYSA-N 1 0 334.423 2.927 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO ZINC000022932846 202094700 /nfs/dbraw/zinc/09/47/00/202094700.db2.gz GHJVYJDVXCSCKT-HNNXBMFYSA-N 1 0 333.501 2.821 50 0 EFAARO CC(=O)c1cccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c1 ZINC000022919121 202094934 /nfs/dbraw/zinc/09/49/34/202094934.db2.gz UWPRIKQULIUDOH-FQEVSTJZSA-N 1 0 330.472 2.700 50 0 EFAARO COc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)cc1O ZINC000023129942 202098630 /nfs/dbraw/zinc/09/86/30/202098630.db2.gz ZAGCLZUHUJRZRT-SFHVURJKSA-N 1 0 348.487 2.602 50 0 EFAARO CCCn1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)c(C)n1 ZINC000023128570 202098767 /nfs/dbraw/zinc/09/87/67/202098767.db2.gz FIDWVZVRZUXDAP-FQEVSTJZSA-N 1 0 348.535 2.803 50 0 EFAARO COc1cccc(C[C@@H]2C[N@@H+](C3CSCCSC3)CCO2)c1 ZINC000023340209 202103006 /nfs/dbraw/zinc/10/30/06/202103006.db2.gz LDKHYMQFLYYXAF-QGZVFWFLSA-N 1 0 339.526 2.787 50 0 EFAARO COc1ccc(CN2CC[N@H+](CC(C)(C)C)C[C@@H]2CCO)c(F)c1 ZINC000023374760 202103184 /nfs/dbraw/zinc/10/31/84/202103184.db2.gz GFNDLQUQTWTREO-INIZCTEOSA-N 1 0 338.467 2.749 50 0 EFAARO COCCNC(=O)CCC1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000012575975 202154075 /nfs/dbraw/zinc/15/40/75/202154075.db2.gz XERGASWVPAYESP-UHFFFAOYSA-N 1 0 343.471 2.923 50 0 EFAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCN(C)CC2)c2c1cccc2Cl ZINC000028296735 202169703 /nfs/dbraw/zinc/16/97/03/202169703.db2.gz JFXPTKAKYXPXSM-OAHLLOKOSA-N 1 0 335.879 2.520 50 0 EFAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccco2)c2ccc(Cl)cc2)CC1 ZINC000028287478 202169215 /nfs/dbraw/zinc/16/92/15/202169215.db2.gz XQOLYOQIXJRGCQ-INIZCTEOSA-N 1 0 347.846 2.652 50 0 EFAARO Cc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000031392363 202205305 /nfs/dbraw/zinc/20/53/05/202205305.db2.gz NHTPPZKMXGJGPT-GOSISDBHSA-N 1 0 326.440 2.557 50 0 EFAARO CCCN(c1ncnc2sc3c(c21)CC[NH2+]C3)[C@@H]1CCCC[C@H]1O ZINC000065371456 283308614 /nfs/dbraw/zinc/30/86/14/283308614.db2.gz RTAYTPHCAZJVBJ-ZIAGYGMSSA-N 1 0 346.500 2.857 50 0 EFAARO O=C(CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)NCc1ccccc1Cl ZINC000072270772 202359843 /nfs/dbraw/zinc/35/98/43/202359843.db2.gz IZQPDBMAHNXKNC-HNNXBMFYSA-N 1 0 346.862 2.949 50 0 EFAARO C[C@H](C1CCN(C(=O)Cc2ccc(O)c(F)c2)CC1)[NH+]1CCCC1 ZINC000072432040 216225998 /nfs/dbraw/zinc/22/59/98/216225998.db2.gz ZIHVUZKOFVCQNL-CQSZACIVSA-N 1 0 334.435 2.797 50 0 EFAARO Cc1ccc([C@@H]2C[N@@H+](C3CCN(C)CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072478419 216256384 /nfs/dbraw/zinc/25/63/84/216256384.db2.gz SNLYTXFSEDTKAD-BHDDXSALSA-N 1 0 339.527 2.951 50 0 EFAARO Cc1nc2c(c(N(C)Cc3cc(-c4ccccc4)on3)n1)CC[NH2+]CC2 ZINC000072478303 216257027 /nfs/dbraw/zinc/25/70/27/216257027.db2.gz QJBBSQYNRXDXML-UHFFFAOYSA-N 1 0 349.438 2.765 50 0 EFAARO O[C@H](C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)c(F)c1 ZINC000222199830 201033663 /nfs/dbraw/zinc/03/36/63/201033663.db2.gz GFEUQYIYJZZJDC-SUMWQHHRSA-N 1 0 333.382 2.827 50 0 EFAARO COc1c(C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c(C)nn1C ZINC000058343014 201140892 /nfs/dbraw/zinc/14/08/92/201140892.db2.gz MMXRTALSPZBLOQ-UHFFFAOYSA-N 1 0 346.450 2.630 50 0 EFAARO COc1c(C[NH2+]CC2(c3cccc(F)c3)CCOCC2)c(C)nn1C ZINC000058329526 201141552 /nfs/dbraw/zinc/14/15/52/201141552.db2.gz VLVSDPGKHVELPT-UHFFFAOYSA-N 1 0 347.434 2.714 50 0 EFAARO Cc1ccc(CN(C)C(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000058227077 201141986 /nfs/dbraw/zinc/14/19/86/201141986.db2.gz KJBTUYCEQUTKDK-UHFFFAOYSA-N 1 0 326.444 2.556 50 0 EFAARO OCCn1nccc1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000058328918 201142058 /nfs/dbraw/zinc/14/20/58/201142058.db2.gz UGJYTGCCDOFOHX-UHFFFAOYSA-N 1 0 336.439 2.803 50 0 EFAARO CC[NH+](CC)CCN(C)C(=O)[C@H]1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000055153277 202682403 /nfs/dbraw/zinc/68/24/03/202682403.db2.gz SLQVJCGBHFOLCW-CVEARBPZSA-N 1 0 339.524 2.508 50 0 EFAARO C[C@H](CC[NH+]1CCC(Cc2nnc(CO)n2C)CC1)c1ccccc1 ZINC000055269751 202687361 /nfs/dbraw/zinc/68/73/61/202687361.db2.gz JRHQRHQXSMYHNN-MRXNPFEDSA-N 1 0 342.487 2.756 50 0 EFAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(F)cc2)c2ccsc2)CC1 ZINC000022765501 212322349 /nfs/dbraw/zinc/32/23/49/212322349.db2.gz FOWQHTCAOHQVHR-KRWDZBQOSA-N 1 0 347.459 2.606 50 0 EFAARO O=C1C[C@@H]([NH2+]CCc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000000100629 201434165 /nfs/dbraw/zinc/43/41/65/201434165.db2.gz YRNOTNUMPVVDCG-MRXNPFEDSA-N 1 0 346.789 2.943 50 0 EFAARO Cc1ccc(-c2cc3n(n2)[C@@H]([NH2+]CCc2ccccc2)CNC3=O)cc1 ZINC000263616858 240386800 /nfs/dbraw/zinc/38/68/00/240386800.db2.gz KXINLZZVHQPYTD-HXUWFJFHSA-N 1 0 346.434 2.933 50 0 EFAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3cccc(F)c3)C2=O)cc1 ZINC000000183076 201445519 /nfs/dbraw/zinc/44/55/19/201445519.db2.gz BDTPMGCPGHAZIU-KRWDZBQOSA-N 1 0 326.371 2.598 50 0 EFAARO Cc1ccc(-c2cccc(CN3CCN4CC[N@@H+](C)C[C@@H]4C3)c2)o1 ZINC000215026746 241102757 /nfs/dbraw/zinc/10/27/57/241102757.db2.gz OHZWGVCSUJRNBN-LJQANCHMSA-N 1 0 325.456 2.687 50 0 EFAARO COCCC[N@@H+]1CC[C@H](CNC(=O)c2ccc3oc(C)cc3c2)C1 ZINC000215065977 241106277 /nfs/dbraw/zinc/10/62/77/241106277.db2.gz PEVNAXKEUAHAOT-OAHLLOKOSA-N 1 0 330.428 2.829 50 0 EFAARO Cc1cccnc1C[C@@H](C)[N@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000215127345 241107307 /nfs/dbraw/zinc/10/73/07/241107307.db2.gz YCRSESILZAJFIT-OAHLLOKOSA-N 1 0 346.500 2.746 50 0 EFAARO CC(C)c1ncc(CN2CCC([C@@H](C)[NH+]3CCOCC3)CC2)cn1 ZINC000215166549 241110712 /nfs/dbraw/zinc/11/07/12/241110712.db2.gz YGXPBKLJRSPMSV-MRXNPFEDSA-N 1 0 332.492 2.533 50 0 EFAARO Fc1ccc(C[N@@H+]2CCCN(Cc3cnn4cccnc34)CC2)cc1 ZINC000215216889 241113392 /nfs/dbraw/zinc/11/33/92/241113392.db2.gz NGFXJGUZXAZCSO-UHFFFAOYSA-N 1 0 339.418 2.576 50 0 EFAARO COC1CC[NH+](Cc2ccc(OCC(=O)NC(C)(C)C)cc2)CC1 ZINC000215250534 241115101 /nfs/dbraw/zinc/11/51/01/241115101.db2.gz NOKASXJJUZBRAN-UHFFFAOYSA-N 1 0 334.460 2.591 50 0 EFAARO CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H](O)c1cccc(O)c1 ZINC000215280175 241117367 /nfs/dbraw/zinc/11/73/67/241117367.db2.gz ORTAYVHEMLOZBM-KRWDZBQOSA-N 1 0 327.384 2.931 50 0 EFAARO C[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000215281300 241117527 /nfs/dbraw/zinc/11/75/27/241117527.db2.gz QSZXEWKMZZQVLH-OAQYLSRUSA-N 1 0 349.478 2.816 50 0 EFAARO Cc1cc(C)n2ncc(CN3CC[NH+](C4CCCCC4)CC3)c2n1 ZINC000215317241 241119519 /nfs/dbraw/zinc/11/95/19/241119519.db2.gz AIVDEDUGRAKQTE-UHFFFAOYSA-N 1 0 327.476 2.796 50 0 EFAARO Cc1cccnc1CN1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000215390598 241121826 /nfs/dbraw/zinc/12/18/26/241121826.db2.gz IJVSEDGTOBUVAV-UHFFFAOYSA-N 1 0 347.466 2.894 50 0 EFAARO 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COc1cccnc1C(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071763491 203111226 /nfs/dbraw/zinc/11/12/26/203111226.db2.gz HSCKIMRRQQWHKL-INIZCTEOSA-N 1 0 331.460 2.673 50 0 EFAARO COc1ccc(OC)c(CC[NH2+]C[C@@H](O)COc2cccc(C)c2)c1 ZINC000071767441 203111369 /nfs/dbraw/zinc/11/13/69/203111369.db2.gz WZOXYBYAZGNOQZ-QGZVFWFLSA-N 1 0 345.439 2.584 50 0 EFAARO Cn1cnnc1Sc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)o1 ZINC000020363248 212122085 /nfs/dbraw/zinc/12/20/85/212122085.db2.gz JPJCJYAZJKRMNN-ZDUSSCGKSA-N 1 0 342.424 2.653 50 0 EFAARO CC[NH+](CC)Cc1cc(C(=O)N2CCCn3cncc3C2)c(C)o1 ZINC000072146818 203170840 /nfs/dbraw/zinc/17/08/40/203170840.db2.gz JYBWVZWJXNSHSX-UHFFFAOYSA-N 1 0 330.432 2.672 50 0 EFAARO Fc1ccc(OCC[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)cc1 ZINC000072119581 203163535 /nfs/dbraw/zinc/16/35/35/203163535.db2.gz MBRTVUJZRJNAMA-GOSISDBHSA-N 1 0 336.451 2.781 50 0 EFAARO CC(C)c1nnc(CN(Cc2cccnc2)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC000072124032 203165292 /nfs/dbraw/zinc/16/52/92/203165292.db2.gz 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203394741 /nfs/dbraw/zinc/39/47/41/203394741.db2.gz UQOHGENMHHJZAO-FQEVSTJZSA-N 1 0 342.487 2.956 50 0 EFAARO c1c(CNc2nnc(-c3ccccc3)s2)nn2c1C[NH2+]CCC2 ZINC000082146821 203497771 /nfs/dbraw/zinc/49/77/71/203497771.db2.gz QLJRQAWUYZCANK-UHFFFAOYSA-N 1 0 326.429 2.507 50 0 EFAARO Cc1nccn1CCC[NH+]1CCC2(CCC(=O)N(CC3CC3)C2)CC1 ZINC000091596149 203640986 /nfs/dbraw/zinc/64/09/86/203640986.db2.gz DSTKNIVHULNUQR-UHFFFAOYSA-N 1 0 344.503 2.696 50 0 EFAARO Cc1nccn1Cc1nnc(C2CC[NH+](C3CCCCC3)CC2)n1C ZINC000091808154 203653261 /nfs/dbraw/zinc/65/32/61/203653261.db2.gz ZPPHIEOCIJTXDT-UHFFFAOYSA-N 1 0 342.491 2.880 50 0 EFAARO COc1cccc([C@H]2CN(C(=O)Cn3ccc4ccccc43)C[C@@H]2[NH3+])c1 ZINC000092080512 203667482 /nfs/dbraw/zinc/66/74/82/203667482.db2.gz GSFNAJHNRONUSG-MOPGFXCFSA-N 1 0 349.434 2.603 50 0 EFAARO C[NH2+]CC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000092061728 203664368 /nfs/dbraw/zinc/66/43/68/203664368.db2.gz KOYWMAKOTVIYPU-MRXNPFEDSA-N 1 0 326.444 2.530 50 0 EFAARO Cc1cnn(CC2CCN(C(=O)CCC[NH+]3CCCCC3)CC2)c1 ZINC000095372332 203721148 /nfs/dbraw/zinc/72/11/48/203721148.db2.gz WSGYUJUZCGCZGC-UHFFFAOYSA-N 1 0 332.492 2.696 50 0 EFAARO Cc1nc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)sc1C ZINC000095379422 203724192 /nfs/dbraw/zinc/72/41/92/203724192.db2.gz ZBUQGUYVGUTOMG-AWEZNQCLSA-N 1 0 333.457 2.881 50 0 EFAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000095507709 203751902 /nfs/dbraw/zinc/75/19/02/203751902.db2.gz VMQDBCFSVVJAEK-MRXNPFEDSA-N 1 0 347.507 2.666 50 0 EFAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)c1cc(C(N)=O)ccn1 ZINC000095518023 203755094 /nfs/dbraw/zinc/75/50/94/203755094.db2.gz QOZBCXGHPLCXKB-UHFFFAOYSA-N 1 0 338.455 2.529 50 0 EFAARO CCCn1nc([C@@H]2CCOC2)nc1C1CC[NH+](C2CCOCC2)CC1 ZINC000097413168 203944782 /nfs/dbraw/zinc/94/47/82/203944782.db2.gz ZPQADYHWUAQLMB-MRXNPFEDSA-N 1 0 348.491 2.550 50 0 EFAARO Cc1cc(C)n(C2C[NH+](C[C@@H](C)Cc3ccc4c(c3)OCO4)C2)n1 ZINC000097756361 203963778 /nfs/dbraw/zinc/96/37/78/203963778.db2.gz ZCXVBKAVYVPJOD-ZDUSSCGKSA-N 1 0 327.428 2.964 50 0 EFAARO CN(C/C=C/c1ccccc1)C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426387777 247272131 /nfs/dbraw/zinc/27/21/31/247272131.db2.gz AVCRABMTXMRWJA-AHKGRUIUSA-N 1 0 338.455 2.522 50 0 EFAARO [NH3+]CCOc1cccc(CC(=O)NC2(c3cc(F)cc(F)c3)CC2)c1 ZINC000426386915 247273180 /nfs/dbraw/zinc/27/31/80/247273180.db2.gz OLEVUXRRSBNXSA-UHFFFAOYSA-N 1 0 346.377 2.650 50 0 EFAARO Cc1ccc(CN(CC[NH+](C)C)c2cc([C@@H]3CCOC3)ncn2)cc1 ZINC000426395938 247273754 /nfs/dbraw/zinc/27/37/54/247273754.db2.gz KEAHLCCZKXTJTR-GOSISDBHSA-N 1 0 340.471 2.857 50 0 EFAARO COCC1(NC(=O)c2ccc(-c3c[nH+]ccc3N)cc2)CCCC1 ZINC000426396707 247274383 /nfs/dbraw/zinc/27/43/83/247274383.db2.gz ZVMAIOSNSHQGIX-UHFFFAOYSA-N 1 0 325.412 2.850 50 0 EFAARO C[C@H](C[NH+](C)C)NC(=O)c1cccc(-c2ccc(CCO)cc2)c1 ZINC000426407734 247278216 /nfs/dbraw/zinc/27/82/16/247278216.db2.gz ZSJMJGCOQVHBPD-OAHLLOKOSA-N 1 0 326.440 2.568 50 0 EFAARO CO[C@]12CC[N@H+](Cc3c(C)cc(C)c(CO)c3C)[C@H]1C[C@@H](O)CC2 ZINC000426425164 247278845 /nfs/dbraw/zinc/27/88/45/247278845.db2.gz GWIVQBFEPKFWSB-FFZOFVMBSA-N 1 0 333.472 2.608 50 0 EFAARO OCCn1ccc([C@@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)n1 ZINC000426425205 247279650 /nfs/dbraw/zinc/27/96/50/247279650.db2.gz IVQXLHJQPCMHRD-CQSZACIVSA-N 1 0 346.500 2.590 50 0 EFAARO O=C(NCCc1cccc(=O)[nH]1)C1([NH+]2CCCCC2)CCCCC1 ZINC000426472583 247282851 /nfs/dbraw/zinc/28/28/51/247282851.db2.gz BMIMITKGVVHZHW-UHFFFAOYSA-N 1 0 331.460 2.635 50 0 EFAARO COc1ccnc(CSc2nnc(C[NH3+])n2-c2ccc(F)cc2)c1 ZINC000426471354 247282862 /nfs/dbraw/zinc/28/28/62/247282862.db2.gz LGDXCTLZOZJMCA-UHFFFAOYSA-N 1 0 345.403 2.561 50 0 EFAARO Cc1cnc(C)c(-c2ccc(C(=O)NCC[C@H]3CCC[N@H+]3C)cc2)n1 ZINC000426485605 247286879 /nfs/dbraw/zinc/28/68/79/247286879.db2.gz KTKBYTFZTRXPOX-GOSISDBHSA-N 1 0 338.455 2.975 50 0 EFAARO C[C@@H](c1ccc(-c2n[nH]c(C(=O)N(C)C)n2)cc1)[NH+]1CCCCC1 ZINC000426504089 247288386 /nfs/dbraw/zinc/28/83/86/247288386.db2.gz UIMDDZJAXISJNV-ZDUSSCGKSA-N 1 0 327.432 2.720 50 0 EFAARO C[NH2+]Cc1nnc(SC[C@H]2CCOC2)n1-c1cccc(Cl)c1 ZINC000426361840 247268047 /nfs/dbraw/zinc/26/80/47/247268047.db2.gz UZYXNXWRXJBMQH-NSHDSACASA-N 1 0 338.864 2.769 50 0 EFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1nc3cccc(C)n3c1F)C2 ZINC000091433810 218004842 /nfs/dbraw/zinc/00/48/42/218004842.db2.gz FLOIXGJMFQHBRY-HUUCEWRRSA-N 1 0 344.434 2.728 50 0 EFAARO Cc1ccncc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091460721 218009780 /nfs/dbraw/zinc/00/97/80/218009780.db2.gz LCDJDZOCUBOYBQ-FUHWJXTLSA-N 1 0 336.439 2.522 50 0 EFAARO Cc1cccc(N2CCC(NC(=O)[C@H]3CCCCC[N@H+]3C)CC2)c1 ZINC000091871477 218081225 /nfs/dbraw/zinc/08/12/25/218081225.db2.gz RVEVPEZEGTXNPN-LJQANCHMSA-N 1 0 329.488 2.954 50 0 EFAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccn(C)n3)sc2c1 ZINC000011695504 206985409 /nfs/dbraw/zinc/98/54/09/206985409.db2.gz WVHCCLNHLVCIOF-UHFFFAOYSA-N 1 0 343.456 2.547 50 0 EFAARO FC(F)Oc1ccccc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000011950732 207031775 /nfs/dbraw/zinc/03/17/75/207031775.db2.gz GUSPELMEUQLGOI-AWEZNQCLSA-N 1 0 334.370 2.837 50 0 EFAARO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 ZINC000011954171 207033765 /nfs/dbraw/zinc/03/37/65/207033765.db2.gz IUZXVYWCWVFAFU-PXAZEXFGSA-N 1 0 329.444 2.688 50 0 EFAARO Cc1cc(C(=O)N(CC[NH+](C)C)c2nc3ccc(F)cc3s2)no1 ZINC000012229524 207080492 /nfs/dbraw/zinc/08/04/92/207080492.db2.gz YSSZZKNSRHUZRS-UHFFFAOYSA-N 1 0 348.403 2.940 50 0 EFAARO Cc1cc(C)c2c(n1)oc1c2ncn(CC[NH+]2CCCCC2)c1=O ZINC000032093388 291837589 /nfs/dbraw/zinc/83/75/89/291837589.db2.gz JKSQEZXBOSQPRX-UHFFFAOYSA-N 1 0 326.400 2.640 50 0 EFAARO Cn1c(CC[NH3+])nnc1SCc1cccc(OC(F)(F)F)c1 ZINC000426707245 257957763 /nfs/dbraw/zinc/95/77/63/257957763.db2.gz QNBVEJIEGJTSNZ-UHFFFAOYSA-N 1 0 332.351 2.507 50 0 EFAARO Cc1nnc(-c2ccc(NC(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2)o1 ZINC000426441988 257968022 /nfs/dbraw/zinc/96/80/22/257968022.db2.gz SDPYLOUNSPCEQD-JKSUJKDBSA-N 1 0 341.415 2.745 50 0 EFAARO O=C(CSC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCCc1ccccn1 ZINC000334161092 258016197 /nfs/dbraw/zinc/01/61/97/258016197.db2.gz SUUHDEJURSMEOQ-FUHWJXTLSA-N 1 0 347.528 2.738 50 0 EFAARO CCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1cc(OC)no1 ZINC000334160372 258016759 /nfs/dbraw/zinc/01/67/59/258016759.db2.gz CFXAXNUAESJSEE-RDJZCZTQSA-N 1 0 349.475 2.729 50 0 EFAARO Cc1nonc1CNC(=O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000299777088 258087372 /nfs/dbraw/zinc/08/73/72/258087372.db2.gz INQCCDHHDWRAJR-UHFFFAOYSA-N 1 0 328.416 2.684 50 0 EFAARO Cc1cccc(SC2CCN(C(=O)C[N@@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000299777724 258088031 /nfs/dbraw/zinc/08/80/31/258088031.db2.gz ODIZPTDELTVEDL-MRXNPFEDSA-N 1 0 348.512 2.535 50 0 EFAARO COc1ccc(OC)c2nc(N(C)C)c(C[NH2+]C[C@H]3CCCO3)cc12 ZINC000299780828 258089443 /nfs/dbraw/zinc/08/94/43/258089443.db2.gz BOWIPTDHULRWGR-CQSZACIVSA-N 1 0 345.443 2.587 50 0 EFAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc2ccccc2c1 ZINC000299783001 258091315 /nfs/dbraw/zinc/09/13/15/258091315.db2.gz GVSHKTVKVCLHMV-OALUTQOASA-N 1 0 325.456 2.610 50 0 EFAARO C[NH+](C)[C@H]1CN(C(=O)Nc2cccc(-c3cccc(F)c3)c2)C[C@@H]1O ZINC000299783614 258092047 /nfs/dbraw/zinc/09/20/47/258092047.db2.gz WCPOYDZYMGFDOD-ROUUACIJSA-N 1 0 343.402 2.631 50 0 EFAARO CN1CCC(CNC(=O)Nc2cc(F)ccc2Cl)([NH+](C)C)CC1 ZINC000299785236 258092548 /nfs/dbraw/zinc/09/25/48/258092548.db2.gz RBUDAYWDPAROTN-UHFFFAOYSA-N 1 0 342.846 2.627 50 0 EFAARO COCC[C@@H]1CCCCN1C(=O)c1ccc(C)cc1OCCC[NH3+] ZINC000299785696 258093199 /nfs/dbraw/zinc/09/31/99/258093199.db2.gz NJLTWLVNVDTQJA-INIZCTEOSA-N 1 0 334.460 2.754 50 0 EFAARO COCC[C@H]1CCCCN1C(=O)c1ccc(C)cc1OCCC[NH3+] ZINC000299785701 258093201 /nfs/dbraw/zinc/09/32/01/258093201.db2.gz NJLTWLVNVDTQJA-MRXNPFEDSA-N 1 0 334.460 2.754 50 0 EFAARO COCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccc2ccccc2c1 ZINC000299789577 258095837 /nfs/dbraw/zinc/09/58/37/258095837.db2.gz XLHIKANZJIMYJQ-LJQANCHMSA-N 1 0 326.440 2.957 50 0 EFAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1cccc(-c2cnco2)c1 ZINC000299790081 258096314 /nfs/dbraw/zinc/09/63/14/258096314.db2.gz BGMFAQGKOUXBSC-RDJZCZTQSA-N 1 0 344.415 2.571 50 0 EFAARO COc1ccc(-c2cc(CNC(=O)C[NH+]3CCCCCC3)no2)cc1 ZINC000299792315 258097305 /nfs/dbraw/zinc/09/73/05/258097305.db2.gz GVZZVSNKLIGNAH-UHFFFAOYSA-N 1 0 343.427 2.842 50 0 EFAARO O=C(NCCc1ccccn1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299794608 258099421 /nfs/dbraw/zinc/09/94/21/258099421.db2.gz KNZPUFCSWOABHL-ZCNNSNEGSA-N 1 0 335.451 2.966 50 0 EFAARO O=C(NCC[NH+]1CCC(CO)CC1)[C@@H](c1ccccc1)C1CCCC1 ZINC000299796371 258100356 /nfs/dbraw/zinc/10/03/56/258100356.db2.gz MIGYBWSVOJPGAL-FQEVSTJZSA-N 1 0 344.499 2.781 50 0 EFAARO [NH3+][C@H]1CCCN(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)C1 ZINC000299795976 258100575 /nfs/dbraw/zinc/10/05/75/258100575.db2.gz MLHSQKSKKYJICP-AWEZNQCLSA-N 1 0 333.823 2.540 50 0 EFAARO O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000299796605 258100943 /nfs/dbraw/zinc/10/09/43/258100943.db2.gz POZXTWZFDLOWPU-CQSZACIVSA-N 1 0 345.834 2.838 50 0 EFAARO Cc1n[nH]c(C)c1CC[N@@H+](C)C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299798345 258102214 /nfs/dbraw/zinc/10/22/14/258102214.db2.gz SJSBVIWBGMPRBV-MRXNPFEDSA-N 1 0 326.444 2.554 50 0 EFAARO Cc1ccc(C(=O)N[C@H](C)c2cccc(C)n2)c(OCCC[NH3+])c1 ZINC000299799311 258103147 /nfs/dbraw/zinc/10/31/47/258103147.db2.gz FMKPJTOQQCIKPX-OAHLLOKOSA-N 1 0 327.428 2.917 50 0 EFAARO O=C1C[C@H](C[NH+]2CCC(c3ccncn3)CC2)CN1c1ccccc1 ZINC000299800582 258103731 /nfs/dbraw/zinc/10/37/31/258103731.db2.gz WZCXDIAZPGKTIO-MRXNPFEDSA-N 1 0 336.439 2.709 50 0 EFAARO C[C@@H](CCNC(=O)Nc1ccccc1C1CC1)[NH+]1CCN(C)CC1 ZINC000299801329 258103973 /nfs/dbraw/zinc/10/39/73/258103973.db2.gz ZWOPEPMAAOBEFQ-HNNXBMFYSA-N 1 0 330.476 2.712 50 0 EFAARO CCn1cc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c(C)n1 ZINC000299801788 258104784 /nfs/dbraw/zinc/10/47/84/258104784.db2.gz XTAZCFJHXLPHDX-QGZVFWFLSA-N 1 0 329.448 2.944 50 0 EFAARO CN1CCC(CNC(=O)Nc2ccccc2C2CC2)([NH+](C)C)CC1 ZINC000299801601 258104910 /nfs/dbraw/zinc/10/49/10/258104910.db2.gz ZUZXHYSLOPJCGQ-UHFFFAOYSA-N 1 0 330.476 2.712 50 0 EFAARO C[N@@H+](Cc1ccccc1OCCn1ccnc1)C[C@H]1CCCCO1 ZINC000215963563 258072140 /nfs/dbraw/zinc/07/21/40/258072140.db2.gz VLUNLCHZMAABDM-GOSISDBHSA-N 1 0 329.444 2.963 50 0 EFAARO COc1cc(CCC(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)ccc1C ZINC000299756186 258074459 /nfs/dbraw/zinc/07/44/59/258074459.db2.gz JHFAYBJAFUDKNK-YRWFTTLQSA-N 1 0 330.472 2.735 50 0 EFAARO CC[C@@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)n1cccn1 ZINC000299759384 258076508 /nfs/dbraw/zinc/07/65/08/258076508.db2.gz GXMJABWKCIVNDX-SFHVURJKSA-N 1 0 340.471 2.614 50 0 EFAARO Cc1cc(=O)cc(C(=O)NC[C@H]2CCC[N@@H+](C3CCCCC3)C2)[nH]1 ZINC000299760551 258078143 /nfs/dbraw/zinc/07/81/43/258078143.db2.gz WNCXYVNECPLLCC-OAHLLOKOSA-N 1 0 331.460 2.870 50 0 EFAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@]2(OC)CC[C@@H](OC)C[C@H]12 ZINC000299765269 258080219 /nfs/dbraw/zinc/08/02/19/258080219.db2.gz DNTVUWYMGNUJES-ISTRZQFTSA-N 1 0 341.883 2.794 50 0 EFAARO COc1ccc(-c2cccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)c2)cc1F ZINC000299764749 258080239 /nfs/dbraw/zinc/08/02/39/258080239.db2.gz KWAQTDNCRMMTKF-FUHWJXTLSA-N 1 0 340.398 2.935 50 0 EFAARO C[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc4ccccc4c3)C2)CC1 ZINC000299768146 258081946 /nfs/dbraw/zinc/08/19/46/258081946.db2.gz GNGCFLFVIMEOJE-IBGZPJMESA-N 1 0 338.455 2.693 50 0 EFAARO Cc1ccc2c(c1)C[C@@H](C(=O)NCC1CC[NH+](CC(C)C)CC1)N2 ZINC000299768447 258082567 /nfs/dbraw/zinc/08/25/67/258082567.db2.gz NTZCBFJNXXGIRT-IBGZPJMESA-N 1 0 329.488 2.816 50 0 EFAARO Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000299768965 258082740 /nfs/dbraw/zinc/08/27/40/258082740.db2.gz HNPBDMBIKSDMTF-IBGZPJMESA-N 1 0 340.471 2.692 50 0 EFAARO CCc1nc2cc(NC(=O)N(C)[C@@H]3CC[N@H+](C)C3)ccc2n1CC ZINC000299769017 258082792 /nfs/dbraw/zinc/08/27/92/258082792.db2.gz LEBHOVKTJSYNJH-CQSZACIVSA-N 1 0 329.448 2.786 50 0 EFAARO O=S(=O)(c1ccsc1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077421122 296473852 /nfs/dbraw/zinc/47/38/52/296473852.db2.gz OOSMHCBMYYRUTN-AWEZNQCLSA-N 1 0 328.503 2.777 50 0 EFAARO Cc1cccnc1N1CC[NH+](Cc2cccc(Cn3cccn3)c2)CC1 ZINC000067446568 132811478 /nfs/dbraw/zinc/81/14/78/132811478.db2.gz BGCBVZUVMUNDKK-UHFFFAOYSA-N 1 0 347.466 2.957 50 0 EFAARO c1c(CC2CCCCC2)nnn1C1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000019795131 296599615 /nfs/dbraw/zinc/59/96/15/296599615.db2.gz BKQJYZQAKHRWOY-QGZVFWFLSA-N 1 0 331.508 2.790 50 0 EFAARO COc1cc(Cl)c(C)cc1-n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072473158 286222229 /nfs/dbraw/zinc/22/22/29/286222229.db2.gz ABASNZDFVIVGRO-UHFFFAOYSA-N 1 0 343.818 2.809 50 0 EFAARO COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N@@H+]3C[C@@H]2OC ZINC000038876020 286261308 /nfs/dbraw/zinc/26/13/08/286261308.db2.gz IUMRZRWBQPPMSS-GKCIPKSASA-N 1 0 343.423 2.817 50 0 biogenic,in-vitro EFAARO COc1ccc(OC)c([C@H]2[NH2+]CC[C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000061717618 286344573 /nfs/dbraw/zinc/34/45/73/286344573.db2.gz HINAQJUAGMVCCT-IEBWSBKVSA-N 1 0 342.370 2.767 50 0 EFAARO C[C@H](C[NH+]1CCC(C)CC1)NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000005807993 298545439 /nfs/dbraw/zinc/54/54/39/298545439.db2.gz BPHVHGCZTFZMLJ-CQSZACIVSA-N 1 0 349.500 2.865 50 0 EFAARO COCC[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095518133 274025992 /nfs/dbraw/zinc/02/59/92/274025992.db2.gz MECZOEGHZSAMEG-UHFFFAOYSA-N 1 0 336.863 2.801 50 0 EFAARO COc1c(C)cnc(C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)CC2)c1C ZINC000072167959 274088298 /nfs/dbraw/zinc/08/82/98/274088298.db2.gz CSRGRHUDCMULDV-SFHVURJKSA-N 1 0 333.432 2.514 50 0 EFAARO COc1c(C)cnc(C[N@@H+]2CCC[C@]3(CN(C)C(=O)O3)CC2)c1C ZINC000072167958 274088713 /nfs/dbraw/zinc/08/87/13/274088713.db2.gz CSRGRHUDCMULDV-GOSISDBHSA-N 1 0 333.432 2.514 50 0 EFAARO O=C(CCc1ccncc1)NC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000097681747 274970245 /nfs/dbraw/zinc/97/02/45/274970245.db2.gz HJOKWMMGHFWWDB-IBGZPJMESA-N 1 0 338.455 2.753 50 0 EFAARO O=C1C[C@H]([N@H+]2C[C@@H]3CC=CC[C@@H]3C2)C(=O)N1c1ccc(Cl)cc1 ZINC000100225807 275020643 /nfs/dbraw/zinc/02/06/43/275020643.db2.gz YLJJCNNSVSAMNO-ZENOOKHLSA-N 1 0 330.815 2.870 50 0 EFAARO CN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012385346 276944328 /nfs/dbraw/zinc/94/43/28/276944328.db2.gz WCXSRDLYZYTWPF-KRWDZBQOSA-N 1 0 349.519 2.502 50 0 EFAARO COc1cc2c(cc1O)C[C@@H]1[NH2+]CCc3c(OC)c4c(c-2c31)OCO4 ZINC000000898461 277393251 /nfs/dbraw/zinc/39/32/51/277393251.db2.gz FZXIOJQNDYKPCE-LBPRGKRZSA-N 1 0 341.363 2.548 50 0 biogenic,in-vitro EFAARO CC(C)Cc1nc2oc3c(ncnc3NCC[NH3+])c2c2c1CCC2 ZINC000002241332 277513500 /nfs/dbraw/zinc/51/35/00/277513500.db2.gz UPOCTMKISYVZDH-UHFFFAOYSA-N 1 0 325.416 2.829 50 0 EFAARO Cc1c([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c2ccccc2n1C ZINC000001430183 278609192 /nfs/dbraw/zinc/60/91/92/278609192.db2.gz YBHNQXMURADGAP-KRWDZBQOSA-N 1 0 330.395 2.933 50 0 EFAARO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[NH+](C)CC3)c12 ZINC000006669813 280223946 /nfs/dbraw/zinc/22/39/46/280223946.db2.gz VHYKIKHOCFYZMH-UHFFFAOYSA-N 1 0 335.455 2.848 50 0 EFAARO Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=[NH+][C@H]2[C@H]1CC=CCC1 ZINC000010385393 280305096 /nfs/dbraw/zinc/30/50/96/280305096.db2.gz NDSXEAOGJROIBK-GOEBONIOSA-N 1 0 327.432 2.674 50 0 EFAARO Cc1cc(C)c(-c2ccc(C(=O)NC[C@]3(O)CC[NH2+]C3)cc2)cc1C ZINC000426387060 280379788 /nfs/dbraw/zinc/37/97/88/280379788.db2.gz INBJSGDWVPUHKF-NRFANRHFSA-N 1 0 338.451 2.733 50 0 EFAARO Cc1ccccc1[C@H](CNC(=O)c1cc(CC(C)C)nn1C)[NH+](C)C ZINC000091574961 281384756 /nfs/dbraw/zinc/38/47/56/281384756.db2.gz RYCOLKOKIDCPSG-IBGZPJMESA-N 1 0 342.487 2.960 50 0 EFAARO C[C@H](C1CCN(C(=O)CCCc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000072433903 289405557 /nfs/dbraw/zinc/40/55/57/289405557.db2.gz LFTKDLXSELEXRX-GOSISDBHSA-N 1 0 344.499 2.969 50 0 EFAARO Cc1cc(=O)oc2cc(OC[C@@H](O)C[NH+]3CCC(C)CC3)ccc12 ZINC000001522278 301068449 /nfs/dbraw/zinc/06/84/49/301068449.db2.gz YFPSWUJBXCZZSZ-HNNXBMFYSA-N 1 0 331.412 2.573 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)NC(C2CC2)C2CC2)CC1 ZINC000426383776 302386534 /nfs/dbraw/zinc/38/65/34/302386534.db2.gz IKQQWDIFQGRBHH-UHFFFAOYSA-N 1 0 328.460 2.800 50 0 EFAARO Cc1ccc([C@H](CNC(=O)N2CCOCC2)[NH+]2CCC(C)CC2)cc1 ZINC000040615806 472039134 /nfs/dbraw/zinc/03/91/34/472039134.db2.gz DEOUWYOJJWZBOK-IBGZPJMESA-N 1 0 345.487 2.810 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1 ZINC000095480849 473212740 /nfs/dbraw/zinc/21/27/40/473212740.db2.gz HRHUFYDCOPJHIY-INIZCTEOSA-N 1 0 344.434 2.667 50 0 EFAARO COc1ccc([C@@H]2CN(C(=O)NCc3ccco3)C[C@H]2[NH+](C)C)cc1 ZINC000095497496 473213246 /nfs/dbraw/zinc/21/32/46/473213246.db2.gz FLXWHMGJJWYKQM-ZWKOTPCHSA-N 1 0 343.427 2.527 50 0 EFAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1nnc(N)s1 ZINC000095499658 473213526 /nfs/dbraw/zinc/21/35/26/473213526.db2.gz BLZXVSNRELFKOP-GFCCVEGCSA-N 1 0 345.472 2.597 50 0 EFAARO c1ccc2c(c1)C[C@@H](C[NH+]1CCN(Cc3cccnc3)CC1)CCO2 ZINC000095501773 473214644 /nfs/dbraw/zinc/21/46/44/473214644.db2.gz LVVBFANYJMYDRO-SFHVURJKSA-N 1 0 337.467 2.841 50 0 EFAARO COc1cc2cccnc2c(NC(=O)NCC[C@H]2CCC[N@@H+]2C)c1 ZINC000095502722 473214670 /nfs/dbraw/zinc/21/46/70/473214670.db2.gz ROPAXQQTKUGKDC-CQSZACIVSA-N 1 0 328.416 2.849 50 0 EFAARO Cc1noc(-c2ccc(N(C)C[C@@H]3Cc4ccccc4C[N@@H+]3C)nc2)n1 ZINC000095507542 473215275 /nfs/dbraw/zinc/21/52/75/473215275.db2.gz FXVOXYLAKXWNHI-SFHVURJKSA-N 1 0 349.438 2.933 50 0 EFAARO CC(C)c1nccn1[C@@H](C)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000095507233 473215998 /nfs/dbraw/zinc/21/59/98/473215998.db2.gz MDEZXBSIHHMZOG-INIZCTEOSA-N 1 0 340.471 2.742 50 0 EFAARO CC(C)[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@H]1NC(=O)N(C)C ZINC000095516643 473218384 /nfs/dbraw/zinc/21/83/84/473218384.db2.gz YHERDQSFQQNYJH-PKOBYXMFSA-N 1 0 340.471 2.962 50 0 EFAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CC(c2cccnc2)C1 ZINC000095522555 473218403 /nfs/dbraw/zinc/21/84/03/473218403.db2.gz IOCJDPVAMHZPKF-INIZCTEOSA-N 1 0 325.412 2.513 50 0 EFAARO Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)s1 ZINC000095518325 473218924 /nfs/dbraw/zinc/21/89/24/473218924.db2.gz INUNJSIMLWBTME-HZPDHXFCSA-N 1 0 333.501 2.635 50 0 EFAARO Cc1noc(CN2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)n1 ZINC000095520507 473219455 /nfs/dbraw/zinc/21/94/55/473219455.db2.gz UXTGVPQPKOKEPB-RBUKOAKNSA-N 1 0 340.471 2.907 50 0 EFAARO CCC[C@@H]1C[N@H+](Cc2cnn(-c3cccc(C)c3)c2)C[C@H]1NC(C)=O ZINC000095525833 473219879 /nfs/dbraw/zinc/21/98/79/473219879.db2.gz BHEQUEHDMIQJKF-UYAOXDASSA-N 1 0 340.471 2.917 50 0 EFAARO Cc1cccnc1N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095525568 473220108 /nfs/dbraw/zinc/22/01/08/473220108.db2.gz UBQCMXKSZCGINE-QGZVFWFLSA-N 1 0 327.476 2.922 50 0 EFAARO CCCOC[C@H]1CC[N@@H+](C2CCN(c3nc(C)cc(C)n3)CC2)C1 ZINC000095524898 473220211 /nfs/dbraw/zinc/22/02/11/473220211.db2.gz FYEHERRFFNJONJ-KRWDZBQOSA-N 1 0 332.492 2.811 50 0 EFAARO CCOCc1nc(CSc2ccncc2)n(C2CC[NH+](C)CC2)n1 ZINC000095526573 473221316 /nfs/dbraw/zinc/22/13/16/473221316.db2.gz PGTCULVYLWLOCE-UHFFFAOYSA-N 1 0 347.488 2.769 50 0 EFAARO CCc1cc(N2CCC([NH2+]CCCc3cccnc3)CC2)nc(C)n1 ZINC000095530351 473222014 /nfs/dbraw/zinc/22/20/14/473222014.db2.gz ZYXZNSINULYFNY-UHFFFAOYSA-N 1 0 339.487 2.934 50 0 EFAARO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(C(=O)Nc2cn(C)nn2)s1 ZINC000082039460 473285618 /nfs/dbraw/zinc/28/56/18/473285618.db2.gz ATTAZWWAEQJZQH-LBPRGKRZSA-N 1 0 333.461 2.922 50 0 EFAARO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2cnn(C)n2)s1 ZINC000082039500 473286343 /nfs/dbraw/zinc/28/63/43/473286343.db2.gz ROENUCBUEMYRSL-GFCCVEGCSA-N 1 0 333.461 2.922 50 0 EFAARO Cc1ccc(Oc2ccc(CN3CC[C@@H]([NH3+])[C@H](O)C3)cc2)cc1C ZINC000082106178 473288901 /nfs/dbraw/zinc/28/89/01/473288901.db2.gz RQNWCCKNMUJLAV-WOJBJXKFSA-N 1 0 326.440 2.990 50 0 EFAARO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(C(=O)Nc2cnn(C)n2)s1 ZINC000082039501 473285447 /nfs/dbraw/zinc/28/54/47/473285447.db2.gz ROENUCBUEMYRSL-LBPRGKRZSA-N 1 0 333.461 2.922 50 0 EFAARO C/C=C/C[N@@H+]1CCCn2nc(CCC(=O)NC3CCCC3)cc2C1 ZINC000082108754 473290794 /nfs/dbraw/zinc/29/07/94/473290794.db2.gz BMHMQILDBYFWPR-NSCUHMNNSA-N 1 0 330.476 2.656 50 0 EFAARO COc1c(C)cnc(C[N@H+](C)[C@H]2CCOC3(CCOCC3)C2)c1C ZINC000082114990 473291295 /nfs/dbraw/zinc/29/12/95/473291295.db2.gz VSRZJQRWYCKCNC-INIZCTEOSA-N 1 0 334.460 2.867 50 0 EFAARO Cc1ccccc1[C@@H](CNC(=O)c1cc(C(C)C)nn1C)[NH+](C)C ZINC000082121160 473292415 /nfs/dbraw/zinc/29/24/15/473292415.db2.gz MEMLPHZZMCZKBG-GOSISDBHSA-N 1 0 328.460 2.885 50 0 EFAARO CCc1ccccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082121985 473292816 /nfs/dbraw/zinc/29/28/16/473292816.db2.gz BDXPHKBMPFRCBA-OAQYLSRUSA-N 1 0 344.499 2.836 50 0 EFAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)CC2)s1 ZINC000082116354 473293224 /nfs/dbraw/zinc/29/32/24/473293224.db2.gz YUCUVYYNTIADLR-CQSZACIVSA-N 1 0 344.546 2.850 50 0 EFAARO Cc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)ccc1F ZINC000082136866 473294224 /nfs/dbraw/zinc/29/42/24/473294224.db2.gz HWBQHUQAIBCCCX-FQEVSTJZSA-N 1 0 348.462 2.721 50 0 EFAARO Cc1nc2cc(C(=O)N3CCCN(c4cc[nH+]cc4C)CC3)ccc2[nH]1 ZINC000082171062 473297498 /nfs/dbraw/zinc/29/74/98/473297498.db2.gz ICIUEFWCBUCNJG-UHFFFAOYSA-N 1 0 349.438 2.927 50 0 EFAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccncc2)CC1)c1ncoc1C1CC1 ZINC000082156350 473297526 /nfs/dbraw/zinc/29/75/26/473297526.db2.gz QDZROZUBYFBQFA-MRXNPFEDSA-N 1 0 340.427 2.732 50 0 EFAARO [NH3+][C@@H]1CCN(Cc2csc(C34CC5CC(CC(C5)C3)C4)n2)C[C@H]1O ZINC000082171958 473297740 /nfs/dbraw/zinc/29/77/40/473297740.db2.gz UCTJXLJDECBVNH-CXPBIMNFSA-N 1 0 347.528 2.505 50 0 EFAARO COc1ccc(OC2CCN(C(=O)[C@H](C)C[NH+]3CCCC3)CC2)cc1 ZINC000082156857 473298258 /nfs/dbraw/zinc/29/82/58/473298258.db2.gz OSPYYJZMAKJXLQ-MRXNPFEDSA-N 1 0 346.471 2.797 50 0 EFAARO Nc1ccsc1C(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000082157525 473298300 /nfs/dbraw/zinc/29/83/00/473298300.db2.gz WZOHCADFQPPTTE-UHFFFAOYSA-N 1 0 341.480 2.646 50 0 EFAARO CC(=O)Nc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000096116492 473305952 /nfs/dbraw/zinc/30/59/52/473305952.db2.gz IOZPLQJAYSLDKV-FUHWJXTLSA-N 1 0 329.444 2.639 50 0 biogenic EFAARO COCCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3scnc3c2)C1 ZINC000096140382 473313375 /nfs/dbraw/zinc/31/33/75/473313375.db2.gz LXHIQZJCPRRROK-CYBMUJFWSA-N 1 0 348.472 2.776 50 0 EFAARO Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1F ZINC000096148585 473314094 /nfs/dbraw/zinc/31/40/94/473314094.db2.gz ARRICIMQRJBCRC-HNNXBMFYSA-N 1 0 335.423 2.710 50 0 EFAARO COCc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C)C2)o1 ZINC000096162478 473320936 /nfs/dbraw/zinc/32/09/36/473320936.db2.gz QHZOFCFFMPOBBL-MRXNPFEDSA-N 1 0 342.439 2.986 50 0 EFAARO COc1ccc(C)c(NC(=O)N2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c1 ZINC000096166373 473321207 /nfs/dbraw/zinc/32/12/07/473321207.db2.gz OCAQEBFIDCRUSZ-INIZCTEOSA-N 1 0 349.475 2.560 50 0 EFAARO O=C(Cc1ccc2c(c1)OCC2)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096343837 473374573 /nfs/dbraw/zinc/37/45/73/473374573.db2.gz YTQCPXRATSNDFS-QZTJIDSGSA-N 1 0 328.456 2.545 50 0 EFAARO Cc1ccc([C@H](CC(=O)N2CC[NH2+]CC2)c2ccccc2)c(O)c1C ZINC000000213710 471335819 /nfs/dbraw/zinc/33/58/19/471335819.db2.gz BRGBGTPPOGEBIZ-LJQANCHMSA-N 1 0 338.451 2.963 50 0 EFAARO CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H]([NH+]2CCCCC2)[C@@H]1O ZINC000000293711 471343736 /nfs/dbraw/zinc/34/37/36/471343736.db2.gz HZFAZVKVQKOGJZ-WMZOPIPTSA-N 1 0 329.396 2.852 50 0 biogenic EFAARO O[C@H](CN1c2ccccc2N2CCC[NH+]=C12)c1ccc2c(c1)OCO2 ZINC000000310891 471345604 /nfs/dbraw/zinc/34/56/04/471345604.db2.gz HZFUXWSPQMKYPC-MRXNPFEDSA-N 1 0 337.379 2.535 50 0 EFAARO O[C@@H](CN1c2ccccc2N2CCC[NH+]=C12)c1ccc2c(c1)OCO2 ZINC000000310890 471345701 /nfs/dbraw/zinc/34/57/01/471345701.db2.gz HZFUXWSPQMKYPC-INIZCTEOSA-N 1 0 337.379 2.535 50 0 EFAARO O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1)c1ccccc1 ZINC000000317243 471346591 /nfs/dbraw/zinc/34/65/91/471346591.db2.gz OWODGFDXSCAERM-DLBZAZTESA-N 1 0 334.441 2.659 50 0 EFAARO O=C(NC[C@H]1CCCO1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000000317525 471347513 /nfs/dbraw/zinc/34/75/13/471347513.db2.gz ZVXUWDVMNSFWTK-LJQANCHMSA-N 1 0 330.472 2.626 50 0 EFAARO CCOc1ccccc1C[NH+]1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000000317502 471347523 /nfs/dbraw/zinc/34/75/23/471347523.db2.gz QBAKWMZJZBUHFM-SFHVURJKSA-N 1 0 346.471 2.593 50 0 EFAARO CCOC(=O)c1ccc(NC(=S)NCC[NH+]2CCC(C)CC2)cc1 ZINC000000614286 471373977 /nfs/dbraw/zinc/37/39/77/471373977.db2.gz LRHPAGMQARBDLN-UHFFFAOYSA-N 1 0 349.500 2.882 50 0 EFAARO C[NH+]1CCN(c2ccccc2NC(=O)C(Cl)(Cl)Cl)CC1 ZINC000001401287 471389378 /nfs/dbraw/zinc/38/93/78/471389378.db2.gz HPHUMIIRHYYQLH-UHFFFAOYSA-N 1 0 336.650 2.747 50 0 EFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2c[nH]nc2-c2ccccc2)N1 ZINC000001425311 471390973 /nfs/dbraw/zinc/39/09/73/471390973.db2.gz JXLLKDVSVDJHDN-INIZCTEOSA-N 1 0 329.367 2.523 50 0 EFAARO CCC[NH+]1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000001460660 471392713 /nfs/dbraw/zinc/39/27/13/471392713.db2.gz BEVUEJDPJUWNHQ-UHFFFAOYSA-N 1 0 332.469 2.993 50 0 EFAARO CN(C)CC[C@@H]1c2ccccc2[C@H](O)c2ccccc2S1(=O)=O ZINC000002015001 471400646 /nfs/dbraw/zinc/40/06/46/471400646.db2.gz DKQATDQETUTSSG-MSOLQXFVSA-N 1 0 331.437 2.548 50 0 EFAARO Cc1nn2c(nc3c(c2N2CC[NH+](C)CC2)CCC3)c1-c1ccccc1 ZINC000002323526 471405693 /nfs/dbraw/zinc/40/56/93/471405693.db2.gz ZYUFUODSUMXJOM-UHFFFAOYSA-N 1 0 347.466 2.945 50 0 EFAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000002828189 471423772 /nfs/dbraw/zinc/42/37/72/471423772.db2.gz GADUMAVUMPDADC-UHFFFAOYSA-N 1 0 339.439 2.619 50 0 EFAARO O=C(C1CC[NH+](Cc2cccc3ccccc32)CC1)N1CCOCC1 ZINC000002828215 471424021 /nfs/dbraw/zinc/42/40/21/471424021.db2.gz SFQASGJDTSQZMZ-UHFFFAOYSA-N 1 0 338.451 2.911 50 0 EFAARO CC(C)[N@H+](C)CCOC(=O)c1ccccc1I ZINC000002971380 471428377 /nfs/dbraw/zinc/42/83/77/471428377.db2.gz ABLQAYIYAYIVAQ-UHFFFAOYSA-N 1 0 347.196 2.788 50 0 EFAARO Cc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000004592264 471469709 /nfs/dbraw/zinc/46/97/09/471469709.db2.gz GKKPIEREEQRAPE-UHFFFAOYSA-N 1 0 331.460 2.667 50 0 EFAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000004725511 471471698 /nfs/dbraw/zinc/47/16/98/471471698.db2.gz ZSZULSPFNVOKBO-BMRADRMJSA-N 1 0 328.456 2.661 50 0 EFAARO Cc1ccc(NC(=O)C[C@@H](C)CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000004691113 471472088 /nfs/dbraw/zinc/47/20/88/471472088.db2.gz NCJUFUHNTIKMKY-INIZCTEOSA-N 1 0 331.460 2.562 50 0 EFAARO COc1ccc(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000004722459 471472319 /nfs/dbraw/zinc/47/23/19/471472319.db2.gz KFFUTDYVEDAMFF-UHFFFAOYSA-N 1 0 334.460 2.672 50 0 EFAARO CCOc1cc(C[NH+]2CCC(C(=O)N(CC)CC)CC2)ccc1O ZINC000004691622 471472443 /nfs/dbraw/zinc/47/24/43/471472443.db2.gz VSUUWZWDTNVTDW-UHFFFAOYSA-N 1 0 334.460 2.871 50 0 EFAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)C(C)(C)C)CC1 ZINC000004712230 471472734 /nfs/dbraw/zinc/47/27/34/471472734.db2.gz CVMFNKFDWLZKRI-UHFFFAOYSA-N 1 0 347.459 2.600 50 0 EFAARO COc1ccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c(OC)c1 ZINC000004725482 471472804 /nfs/dbraw/zinc/47/28/04/471472804.db2.gz GTXYJBKIWHCQMF-UHFFFAOYSA-N 1 0 334.460 2.688 50 0 EFAARO COc1ccc(C(=O)N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1OC ZINC000004746411 471474115 /nfs/dbraw/zinc/47/41/15/471474115.db2.gz LLHWPYAVACLBDG-ZMSDIMECSA-N 1 0 344.455 2.650 50 0 EFAARO O=C([C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1)N1CCCCC1 ZINC000004746252 471474125 /nfs/dbraw/zinc/47/41/25/471474125.db2.gz XTPRYRMZFUZEGJ-MRXNPFEDSA-N 1 0 330.428 2.640 50 0 EFAARO COc1cccc(C(=O)N2CC[NH+](C[C@H]3CC=CCC3)CC2)c1OC ZINC000004745838 471474202 /nfs/dbraw/zinc/47/42/02/471474202.db2.gz IRXTZZNSTJPMEF-INIZCTEOSA-N 1 0 344.455 2.818 50 0 EFAARO CCC[NH2+]Cc1cc(OCC)c(OCCO)cc1Br ZINC000004839226 471476804 /nfs/dbraw/zinc/47/68/04/471476804.db2.gz CUQSSYSHWWDGPU-UHFFFAOYSA-N 1 0 332.238 2.719 50 0 EFAARO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCC(N)=O ZINC000004868931 471477484 /nfs/dbraw/zinc/47/74/84/471477484.db2.gz QLGHXMKZGLHUJT-UHFFFAOYSA-N 1 0 348.830 2.811 50 0 EFAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OC1CCCC1 ZINC000004869898 471478269 /nfs/dbraw/zinc/47/82/69/471478269.db2.gz ATCJBMNBZZNNKN-UHFFFAOYSA-N 1 0 348.487 2.829 50 0 EFAARO COc1cc2nc(=S)[nH]c(NCC[NH+]3CCCC3)c2cc1OC ZINC000004918953 471478885 /nfs/dbraw/zinc/47/88/85/471478885.db2.gz XCKGSCPUENCGLE-UHFFFAOYSA-N 1 0 334.445 2.817 50 0 EFAARO O=C(c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1)N1CCCCC1 ZINC000004951829 471480979 /nfs/dbraw/zinc/48/09/79/471480979.db2.gz YNMJSYITDYBNMR-SFHVURJKSA-N 1 0 346.471 2.538 50 0 EFAARO Cc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1F ZINC000004988191 471482208 /nfs/dbraw/zinc/48/22/08/471482208.db2.gz LCFJBTULOWEWFH-UHFFFAOYSA-N 1 0 328.453 2.722 50 0 EFAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCC(=O)NC(C)(C)C ZINC000005019463 471483167 /nfs/dbraw/zinc/48/31/67/471483167.db2.gz ONQSYHNESYDEJR-UHFFFAOYSA-N 1 0 346.427 2.872 50 0 EFAARO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCCCCC3)C2=O)cc1 ZINC000005043885 471484573 /nfs/dbraw/zinc/48/45/73/471484573.db2.gz BNJCTVOXQGPBNU-QGZVFWFLSA-N 1 0 343.427 2.589 50 0 EFAARO COc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)nc1 ZINC000005245282 471493496 /nfs/dbraw/zinc/49/34/96/471493496.db2.gz AKXYCYSRTABCKH-GFCCVEGCSA-N 1 0 336.819 2.793 50 0 EFAARO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000005389128 471503336 /nfs/dbraw/zinc/50/33/36/471503336.db2.gz XBEWRZWPPTUION-LJQANCHMSA-N 1 0 347.418 2.628 50 0 EFAARO Cc1cccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000006697902 471559346 /nfs/dbraw/zinc/55/93/46/471559346.db2.gz CDWCQVPKFXFAKA-LJQANCHMSA-N 1 0 347.418 2.941 50 0 EFAARO COC(=O)c1ccccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000006731081 471563020 /nfs/dbraw/zinc/56/30/20/471563020.db2.gz GDDYSUGSUOJACG-UHFFFAOYSA-N 1 0 345.443 2.955 50 0 EFAARO CC1(C)CC(NS(=O)(=O)c2ccccc2Cl)CC(C)(C)[NH2+]1 ZINC000006729403 471563628 /nfs/dbraw/zinc/56/36/28/471563628.db2.gz FQNIXRJCEXNWEJ-UHFFFAOYSA-N 1 0 330.881 2.928 50 0 EFAARO COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OCC(N)=O ZINC000006746469 471565954 /nfs/dbraw/zinc/56/59/54/471565954.db2.gz QGHIAYOTIMBGMT-UHFFFAOYSA-N 1 0 344.455 2.618 50 0 EFAARO CCC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000008130623 471664032 /nfs/dbraw/zinc/66/40/32/471664032.db2.gz RQBHLZIRFGSQKR-UHFFFAOYSA-N 1 0 339.277 2.982 50 0 EFAARO CC[NH+](CC)CCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C)cc1 ZINC000009805445 471722439 /nfs/dbraw/zinc/72/24/39/471722439.db2.gz YSZWYCCBFUJPNV-MRXNPFEDSA-N 1 0 333.476 2.808 50 0 EFAARO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000010312672 471732593 /nfs/dbraw/zinc/73/25/93/471732593.db2.gz LBXJBRMGVYFOGF-UHFFFAOYSA-N 1 0 345.830 2.884 50 0 EFAARO Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=[NH+][C@@H]2[C@H]1CC=CCC1 ZINC000010385391 471734772 /nfs/dbraw/zinc/73/47/72/471734772.db2.gz NDSXEAOGJROIBK-HOCLYGCPSA-N 1 0 327.432 2.674 50 0 EFAARO Cc1cccc(CS(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000010544104 471737787 /nfs/dbraw/zinc/73/77/87/471737787.db2.gz MQDBBNVZCOLONI-CALCHBBNSA-N 1 0 338.517 2.782 50 0 EFAARO C[NH+]1CCC(N2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)CC1 ZINC000011661395 471756241 /nfs/dbraw/zinc/75/62/41/471756241.db2.gz AFJWELJCVSMKQZ-CQSZACIVSA-N 1 0 335.879 2.628 50 0 EFAARO Cc1cc(=O)oc2cc(OC[C@H](O)C[N@H+]3CCC[C@@H](C)C3)ccc12 ZINC000011666622 471756803 /nfs/dbraw/zinc/75/68/03/471756803.db2.gz UXDZYVBVMLGTGP-UKRRQHHQSA-N 1 0 331.412 2.573 50 0 EFAARO OCC1(C[C@@H]2CCCCO2)CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000011768452 471758853 /nfs/dbraw/zinc/75/88/53/471758853.db2.gz BUVSZIZBZVUXJP-KRWDZBQOSA-N 1 0 347.455 2.949 50 0 EFAARO OCC1(C[C@H]2CCCCO2)CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000011768459 471759082 /nfs/dbraw/zinc/75/90/82/471759082.db2.gz BUVSZIZBZVUXJP-QGZVFWFLSA-N 1 0 347.455 2.949 50 0 EFAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3CO)c(C)o2)c(OC)c1C ZINC000011759989 471759295 /nfs/dbraw/zinc/75/92/95/471759295.db2.gz INJYEKXAYKJKIL-AWEZNQCLSA-N 1 0 346.427 2.932 50 0 EFAARO CCCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000011880699 471759674 /nfs/dbraw/zinc/75/96/74/471759674.db2.gz ZZNMYQCUQZMZFF-QGZVFWFLSA-N 1 0 332.444 2.744 50 0 EFAARO CCOC(=O)c1sc2ncnc(N(C)C3CC[NH+](C)CC3)c2c1C ZINC000011990462 471762446 /nfs/dbraw/zinc/76/24/46/471762446.db2.gz DTNXMJWFNXXCGW-UHFFFAOYSA-N 1 0 348.472 2.707 50 0 EFAARO Cc1ccc(C)c(OCc2cc(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)no2)c1 ZINC000012000110 471762898 /nfs/dbraw/zinc/76/28/98/471762898.db2.gz KRHTYEPLNCIZGQ-OAHLLOKOSA-N 1 0 343.427 2.647 50 0 EFAARO CCOc1ccc(CN2CC[C@@H]([NH+](C)C)[C@@H](CCC(=O)OC)C2)cc1 ZINC000012056078 471763720 /nfs/dbraw/zinc/76/37/20/471763720.db2.gz JAECDPATKKUQJS-PKOBYXMFSA-N 1 0 348.487 2.791 50 0 EFAARO COCCNC(=O)CCC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000012206658 471769588 /nfs/dbraw/zinc/76/95/88/471769588.db2.gz SOJRNANAVUBABS-UHFFFAOYSA-N 1 0 340.414 2.720 50 0 EFAARO CC[NH+](CC)CCCNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000012322841 471772421 /nfs/dbraw/zinc/77/24/21/471772421.db2.gz PWSKMLXTJQOISO-UHFFFAOYSA-N 1 0 341.415 2.680 50 0 EFAARO COc1ccccc1O[C@H](C)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000012380416 471773806 /nfs/dbraw/zinc/77/38/06/471773806.db2.gz PGSDMBNJOAQBGD-MRXNPFEDSA-N 1 0 346.471 2.939 50 0 EFAARO CCCn1ncc(C[NH2+][C@@H]2CC(=O)N(CC3CCCCC3)C2)c1C ZINC000012437675 471774394 /nfs/dbraw/zinc/77/43/94/471774394.db2.gz WGEIIALIAHVFKN-GOSISDBHSA-N 1 0 332.492 2.872 50 0 EFAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCC(O)CC2)c2c1cccc2Cl ZINC000012421936 471774526 /nfs/dbraw/zinc/77/45/26/471774526.db2.gz MXZWVNSNAQIQJO-HNNXBMFYSA-N 1 0 336.863 2.729 50 0 EFAARO CSc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCC(CO)CC2)C1 ZINC000012429599 471774572 /nfs/dbraw/zinc/77/45/72/471774572.db2.gz GAAOBTHPKAIMIR-MRXNPFEDSA-N 1 0 348.512 2.717 50 0 EFAARO Cc1ncc(C[NH2+][C@@H]2CC(=O)N(Cc3cccc4ccccc43)C2)n1C ZINC000012430917 471774986 /nfs/dbraw/zinc/77/49/86/471774986.db2.gz GECILACKQGQSFB-GOSISDBHSA-N 1 0 348.450 2.772 50 0 EFAARO O=C1N(Cc2ccccc2F)CCC[C@]1(O)C[NH2+]CC1CCCCC1 ZINC000012438256 471775812 /nfs/dbraw/zinc/77/58/12/471775812.db2.gz IYDIWMVAUHJTJO-FQEVSTJZSA-N 1 0 348.462 2.849 50 0 EFAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)C2CCOCC2)C1 ZINC000012594935 471785196 /nfs/dbraw/zinc/78/51/96/471785196.db2.gz SBCAWARJSFCZSP-IBGZPJMESA-N 1 0 344.499 2.826 50 0 EFAARO CC[C@]1(C)C[C@H]([C@@H](O)C[NH2+]Cc2ccc(OC)c(OC)c2)CCO1 ZINC000012655397 471787857 /nfs/dbraw/zinc/78/78/57/471787857.db2.gz RMOMIOWOQMAUHS-JTDSTZFVSA-N 1 0 337.460 2.750 50 0 biogenic EFAARO CCc1cc(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)on1 ZINC000012715275 471791751 /nfs/dbraw/zinc/79/17/51/471791751.db2.gz CYOLIFBSENDFRB-QGZVFWFLSA-N 1 0 327.428 2.674 50 0 EFAARO CCC[NH+]1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000013324170 471825889 /nfs/dbraw/zinc/82/58/89/471825889.db2.gz KHVXJAYACRMULZ-UHFFFAOYSA-N 1 0 330.350 2.638 50 0 EFAARO CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccccc1 ZINC000013425411 471829440 /nfs/dbraw/zinc/82/94/40/471829440.db2.gz WTKWVKJWNJHISR-INIZCTEOSA-N 1 0 325.432 2.858 50 0 EFAARO CC[NH+]1CCN(c2ccc3nnc(-c4ccccc4Cl)n3n2)CC1 ZINC000013625315 471834558 /nfs/dbraw/zinc/83/45/58/471834558.db2.gz GGNYRHYZKJFGAU-UHFFFAOYSA-N 1 0 342.834 2.587 50 0 EFAARO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(F)cc1 ZINC000013670438 471836839 /nfs/dbraw/zinc/83/68/39/471836839.db2.gz YEPBZVTUARYKSG-KRWDZBQOSA-N 1 0 342.480 2.900 50 0 EFAARO CC(C)(C)C[N@@H+]1CCC[C@H](n2cc(C(=O)NC3CCCC3)nn2)C1 ZINC000014976886 471884156 /nfs/dbraw/zinc/88/41/56/471884156.db2.gz HIONOLBCLJUIIY-HNNXBMFYSA-N 1 0 333.480 2.634 50 0 EFAARO O=C(CCC1CCCC1)N1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000014973334 471884243 /nfs/dbraw/zinc/88/42/43/471884243.db2.gz XIMCCVNLIRNDMD-UHFFFAOYSA-N 1 0 349.519 2.504 50 0 EFAARO COC[C@H]1CCN(C(=O)C2([NH+]3CCCCC3)Cc3ccccc3C2)C1 ZINC000014968370 471884780 /nfs/dbraw/zinc/88/47/80/471884780.db2.gz OATANQXEOREMOU-KRWDZBQOSA-N 1 0 342.483 2.505 50 0 EFAARO Cc1ccccc1NC(=O)c1cn(CC[NH2+]Cc2cccs2)nn1 ZINC000015009251 471885589 /nfs/dbraw/zinc/88/55/89/471885589.db2.gz IXADTJBHVKDXBE-UHFFFAOYSA-N 1 0 341.440 2.690 50 0 EFAARO CC(C)(CO)C[NH2+][C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000015063651 471888029 /nfs/dbraw/zinc/88/80/29/471888029.db2.gz ZYWWRSDMUAQQPD-CYBMUJFWSA-N 1 0 331.382 2.677 50 0 EFAARO O=C(CCC1CC[NH+](Cc2ccoc2)CC1)NCc1cccnc1 ZINC000015073318 471888080 /nfs/dbraw/zinc/88/80/80/471888080.db2.gz DVECAAMCMCKWRX-UHFFFAOYSA-N 1 0 327.428 2.983 50 0 EFAARO Cc1ncoc1C(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000015069673 471888172 /nfs/dbraw/zinc/88/81/72/471888172.db2.gz ZXGWGHUQCNWLKQ-QGZVFWFLSA-N 1 0 327.428 2.810 50 0 EFAARO O=C(COc1ccc(F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015564589 471909143 /nfs/dbraw/zinc/90/91/43/471909143.db2.gz BBXYMTWIQMVEIP-UHFFFAOYSA-N 1 0 342.414 2.985 50 0 EFAARO CCc1cc(C)cc(OC[C@H](O)C[n+]2cn(C)c3ccccc32)c1 ZINC000015746053 471916196 /nfs/dbraw/zinc/91/61/96/471916196.db2.gz DGCSLHPUZUANTA-QGZVFWFLSA-N 1 0 325.432 2.777 50 0 EFAARO Cc1cc2c(cc1C)[n+](C[C@H](O)COC[C@@H]1CC=CCC1)cn2C ZINC000015746002 471916266 /nfs/dbraw/zinc/91/62/66/471916266.db2.gz HLYUHARIZFXDFI-MSOLQXFVSA-N 1 0 329.464 2.816 50 0 EFAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2)[NH+]2CCCC2)o1 ZINC000015860230 471919929 /nfs/dbraw/zinc/91/99/29/471919929.db2.gz QPZNBTLOBBIZIE-KRWDZBQOSA-N 1 0 328.412 2.920 50 0 EFAARO CCc1noc(C)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016580174 471941755 /nfs/dbraw/zinc/94/17/55/471941755.db2.gz OQZGICKGZCGUDL-UHFFFAOYSA-N 1 0 327.428 2.940 50 0 EFAARO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000016622117 471943976 /nfs/dbraw/zinc/94/39/76/471943976.db2.gz OGLLAPBNSNCTLS-CYBMUJFWSA-N 1 0 331.416 2.801 50 0 EFAARO O=C(Cc1ccc(Br)cc1)NCC[NH+]1CCCCC1 ZINC000016603765 471944229 /nfs/dbraw/zinc/94/42/29/471944229.db2.gz AOPINFCMIFSEKH-UHFFFAOYSA-N 1 0 325.250 2.594 50 0 EFAARO CCC[NH+]1CCC(NC(=O)Nc2ccsc2C(=O)OC)CC1 ZINC000017066643 471954312 /nfs/dbraw/zinc/95/43/12/471954312.db2.gz NVQXMULWZDTQPB-UHFFFAOYSA-N 1 0 325.434 2.531 50 0 EFAARO CCc1ccccc1N1C(=O)C[C@H]([NH2+]C2Cc3ccccc3C2)C1=O ZINC000018088175 471968642 /nfs/dbraw/zinc/96/86/42/471968642.db2.gz STAIOPZRQMLUBS-SFHVURJKSA-N 1 0 334.419 2.638 50 0 EFAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COC(C)C)CC1 ZINC000019938330 471985973 /nfs/dbraw/zinc/98/59/73/471985973.db2.gz FOICDFLCFWTYPY-MRXNPFEDSA-N 1 0 326.868 2.556 50 0 EFAARO COc1cc(CN2CC[N@@H+](C3CCCC3)C[C@@H]2CCO)cc(OC)c1 ZINC000020542926 471990701 /nfs/dbraw/zinc/99/07/01/471990701.db2.gz ZSKZHQFIZUCABF-SFHVURJKSA-N 1 0 348.487 2.515 50 0 EFAARO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000020997777 471995266 /nfs/dbraw/zinc/99/52/66/471995266.db2.gz YBMBSPLNWYILNJ-GOSISDBHSA-N 1 0 329.488 2.834 50 0 EFAARO CCNc1cc(NCCNC(=O)Nc2ccccc2F)nc(C)[nH+]1 ZINC000036708110 472003924 /nfs/dbraw/zinc/00/39/24/472003924.db2.gz TXZOSLGTQZFWEM-UHFFFAOYSA-N 1 0 332.383 2.590 50 0 EFAARO C[NH+](C)CC(C)(C)CNCc1cc2c(c(Br)c1)OCO2 ZINC000037301005 472010684 /nfs/dbraw/zinc/01/06/84/472010684.db2.gz MPEBJXQGXQNQKQ-UHFFFAOYSA-N 1 0 343.265 2.855 50 0 EFAARO c1ccc2c(c1)CC(N1CCC[C@@H]([NH2+]Cc3cccc4nonc43)C1)C2 ZINC000039355548 472022790 /nfs/dbraw/zinc/02/27/90/472022790.db2.gz KHXZDWFIVIRSGJ-GOSISDBHSA-N 1 0 348.450 2.944 50 0 EFAARO CCOc1cccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c1 ZINC000039363071 472023536 /nfs/dbraw/zinc/02/35/36/472023536.db2.gz CLJFVVIZCSBXGI-LJQANCHMSA-N 1 0 332.488 2.897 50 0 EFAARO CC(C)=CC[N@@H+]1CCN(Cc2c(C)nc3sccn23)C[C@H]1CCO ZINC000039490357 472024083 /nfs/dbraw/zinc/02/40/83/472024083.db2.gz PVMKWYZVTWMGAW-MRXNPFEDSA-N 1 0 348.516 2.539 50 0 EFAARO Cc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)o1 ZINC000039508499 472024377 /nfs/dbraw/zinc/02/43/77/472024377.db2.gz WSFMVVVSQFFJDG-LJQANCHMSA-N 1 0 328.456 2.699 50 0 EFAARO Cc1nc2sccn2c1CN1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039552348 472025565 /nfs/dbraw/zinc/02/55/65/472025565.db2.gz DKVGNIRIGCWLIX-MRXNPFEDSA-N 1 0 348.516 2.515 50 0 EFAARO C[N@@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@H](O)CO ZINC000023214129 472028189 /nfs/dbraw/zinc/02/81/89/472028189.db2.gz XGDQQTLXWWVVCE-IBGZPJMESA-N 1 0 337.423 2.529 50 0 EFAARO Cc1cccc([C@@H](c2nc(CC3CC[NH+](C)CC3)no2)N(C)C)c1 ZINC000067489728 472039969 /nfs/dbraw/zinc/03/99/69/472039969.db2.gz CYHBIJYJPRDCGN-SFHVURJKSA-N 1 0 328.460 2.913 50 0 EFAARO O=C(NC[C@H]1CCC[N@H+](C/C=C/c2ccco2)C1)c1ccncc1 ZINC000067514365 472043200 /nfs/dbraw/zinc/04/32/00/472043200.db2.gz CJUMTCLQXLZSJY-OUGHUQCRSA-N 1 0 325.412 2.830 50 0 EFAARO O=C(NC[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1)c1cncs1 ZINC000067673350 472068303 /nfs/dbraw/zinc/06/83/03/472068303.db2.gz PCYUCPZLKBXWLQ-ZDUSSCGKSA-N 1 0 340.452 2.876 50 0 EFAARO Cc1nn(CCO)c(C)c1C[N@H+]1CCN(c2ccccc2C)C[C@H]1C ZINC000067677787 472069753 /nfs/dbraw/zinc/06/97/53/472069753.db2.gz HQKSGTRCVOWENY-MRXNPFEDSA-N 1 0 342.487 2.511 50 0 EFAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)C[NH+](C)C)CCO3)s1 ZINC000067674318 472070186 /nfs/dbraw/zinc/07/01/86/472070186.db2.gz FBCFCHQDQHGMBE-UHFFFAOYSA-N 1 0 346.452 2.712 50 0 EFAARO CC(C)=CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccnc(C(C)C)n2)C1 ZINC000067675209 472070226 /nfs/dbraw/zinc/07/02/26/472070226.db2.gz DSANNHXRYPDXFJ-INIZCTEOSA-N 1 0 330.476 2.894 50 0 EFAARO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067674280 472070319 /nfs/dbraw/zinc/07/03/19/472070319.db2.gz QKSBRMMRTHDANZ-HXUWFJFHSA-N 1 0 336.439 2.668 50 0 EFAARO CCC[NH+]1CCC(Cc2noc(-c3c(C)cc(C)[nH]c3=O)n2)CC1 ZINC000067691997 472073434 /nfs/dbraw/zinc/07/34/34/472073434.db2.gz UANVHUXPAPVZMU-UHFFFAOYSA-N 1 0 330.432 2.706 50 0 EFAARO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3nn(C)cc3Cl)C2)cc1 ZINC000067712668 472078156 /nfs/dbraw/zinc/07/81/56/472078156.db2.gz UTXURIRJEIJBJU-HNNXBMFYSA-N 1 0 346.862 2.634 50 0 EFAARO CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000067713290 472078785 /nfs/dbraw/zinc/07/87/85/472078785.db2.gz QFOCDFWNZICUKI-OAHLLOKOSA-N 1 0 346.450 2.967 50 0 EFAARO Cc1nc2cc(Cc3nc(CC4CC[NH+](C)CC4)no3)ccc2[nH]1 ZINC000067714622 472078800 /nfs/dbraw/zinc/07/88/00/472078800.db2.gz KYQMVLSKWXWRRJ-UHFFFAOYSA-N 1 0 325.416 2.729 50 0 EFAARO Nc1cccc(C(=O)NC[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)c1 ZINC000067723767 472079442 /nfs/dbraw/zinc/07/94/42/472079442.db2.gz WEZXZGJBXFWHDS-ZDUSSCGKSA-N 1 0 345.393 2.799 50 0 EFAARO O[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067723993 472080000 /nfs/dbraw/zinc/08/00/00/472080000.db2.gz TVNBQFOHDYHKER-DLBZAZTESA-N 1 0 329.371 2.905 50 0 EFAARO [NH3+]CC(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067743688 472082725 /nfs/dbraw/zinc/08/27/25/472082725.db2.gz IYYCXMYZLKCZAN-UHFFFAOYSA-N 1 0 347.418 2.698 50 0 EFAARO COc1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc1Cn1cccn1 ZINC000067756425 472084748 /nfs/dbraw/zinc/08/47/48/472084748.db2.gz OALXFWOCSVTOOU-HXUWFJFHSA-N 1 0 340.471 2.516 50 0 EFAARO COCC1(N(C)C(=O)c2cc(CN(C)Cc3ccccc3)on2)CC1 ZINC000067770998 472087852 /nfs/dbraw/zinc/08/78/52/472087852.db2.gz LVQXHWXVESXSEW-UHFFFAOYSA-N 1 0 343.427 2.558 50 0 EFAARO O=c1[nH]c2cc3c(cc2cc1C[N@@H+]1CCC[C@H]1c1ccccn1)OCO3 ZINC000067770974 472087881 /nfs/dbraw/zinc/08/78/81/472087881.db2.gz IGVBBKGTVKHIEN-KRWDZBQOSA-N 1 0 349.390 2.989 50 0 EFAARO O=C1NC[C@@H](CN2CCc3onc(-c4cccc5ccccc54)c3C2)O1 ZINC000067771774 472087891 /nfs/dbraw/zinc/08/78/91/472087891.db2.gz FCHYELOUEUXPFZ-AWEZNQCLSA-N 1 0 349.390 2.961 50 0 EFAARO Cc1noc(-c2ccnc(-c3cc4c(c(F)c3)O[C@@H](C[NH3+])C4)c2)n1 ZINC000067786081 472089908 /nfs/dbraw/zinc/08/99/08/472089908.db2.gz DYBFIXUZKHJGOA-CYBMUJFWSA-N 1 0 326.331 2.508 50 0 EFAARO O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1ccoc1 ZINC000067803725 472091876 /nfs/dbraw/zinc/09/18/76/472091876.db2.gz QJZQQQLMBWNFEM-IBGZPJMESA-N 1 0 334.460 2.693 50 0 EFAARO C[C@@H](c1nc(CC2CC[NH+](C)CC2)no1)n1cnc2ccccc21 ZINC000067846727 472098208 /nfs/dbraw/zinc/09/82/08/472098208.db2.gz UNTAHJMUDLJQFN-ZDUSSCGKSA-N 1 0 325.416 2.913 50 0 EFAARO CCCCc1nc(Cl)c(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)[nH]1 ZINC000067856137 472098454 /nfs/dbraw/zinc/09/84/54/472098454.db2.gz BBBSYIKRWNPSOE-KRWDZBQOSA-N 1 0 338.883 2.850 50 0 EFAARO Cc1cncc(C(=O)NCC[C@@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000067866948 472100902 /nfs/dbraw/zinc/10/09/02/472100902.db2.gz WNODIDDTMSUCIX-KRWDZBQOSA-N 1 0 338.455 2.817 50 0 EFAARO O=C(CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)Nc1cccnc1 ZINC000067868939 472102351 /nfs/dbraw/zinc/10/23/51/472102351.db2.gz QTMZMSYMYCDPIX-UHFFFAOYSA-N 1 0 339.374 2.729 50 0 EFAARO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000067881641 472103780 /nfs/dbraw/zinc/10/37/80/472103780.db2.gz UBTPJUUOWPOCCR-INIZCTEOSA-N 1 0 336.501 2.714 50 0 EFAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2noc3c2CCCC3)n1 ZINC000067886447 472104491 /nfs/dbraw/zinc/10/44/91/472104491.db2.gz SLOKNBSDPMOYDZ-AWEZNQCLSA-N 1 0 341.459 2.755 50 0 EFAARO O=C(NCc1cccnc1N1CCCCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000067886539 472105152 /nfs/dbraw/zinc/10/51/52/472105152.db2.gz YOMIAHYNSADQRZ-QGZVFWFLSA-N 1 0 344.503 2.858 50 0 EFAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)Cc2noc(C3CCC3)n2)n1 ZINC000067894015 472106086 /nfs/dbraw/zinc/10/60/86/472106086.db2.gz BQIPIFFZABBBAB-CQSZACIVSA-N 1 0 342.447 2.539 50 0 EFAARO CC[C@H](C(=O)N1CCC[N@H+](C)C2(CCN(C)CC2)C1)c1ccccc1 ZINC000067894469 472107081 /nfs/dbraw/zinc/10/70/81/472107081.db2.gz XMLKCOIBMZIBRK-IBGZPJMESA-N 1 0 343.515 2.809 50 0 EFAARO CC[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCOCC1 ZINC000067934576 472111572 /nfs/dbraw/zinc/11/15/72/472111572.db2.gz JCXYSWFWRXHYEG-UHFFFAOYSA-N 1 0 346.427 2.546 50 0 EFAARO Cc1c(Cl)cccc1-n1cc(C2=CC[N@H+](CCC(N)=O)CC2)cn1 ZINC000067946670 472113676 /nfs/dbraw/zinc/11/36/76/472113676.db2.gz MNMSAPJMHQOZDG-UHFFFAOYSA-N 1 0 344.846 2.799 50 0 EFAARO NC(=O)CC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067954239 472114339 /nfs/dbraw/zinc/11/43/39/472114339.db2.gz ORYZLZPWERLNTO-UHFFFAOYSA-N 1 0 346.814 2.782 50 0 EFAARO COc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cccnc3)C2)ccc1C ZINC000067955996 472115004 /nfs/dbraw/zinc/11/50/04/472115004.db2.gz DDOTWEWVVDWJIZ-QGZVFWFLSA-N 1 0 339.439 2.651 50 0 EFAARO Cc1ccc(C2(O)CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)nc1 ZINC000067981917 472118787 /nfs/dbraw/zinc/11/87/87/472118787.db2.gz KKSFBCQQWZTCQR-MRXNPFEDSA-N 1 0 340.423 2.513 50 0 EFAARO Cc1cnc(C(=O)NC[C@@H]2CC[N@H+](C/C=C/c3ccccc3)C2)cn1 ZINC000067983349 472118892 /nfs/dbraw/zinc/11/88/92/472118892.db2.gz DFZFEXMJFJRUKI-MOTZXUDYSA-N 1 0 336.439 2.550 50 0 EFAARO COc1ccccc1/C=C/C[NH+]1CCC(n2cc([C@H](C)O)nn2)CC1 ZINC000055060695 472136444 /nfs/dbraw/zinc/13/64/44/472136444.db2.gz ANIHGMGMVUSZNU-ZKKXHLJNSA-N 1 0 342.443 2.690 50 0 EFAARO Cc1nsc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000055108697 472140943 /nfs/dbraw/zinc/14/09/43/472140943.db2.gz JJRLHVCWPSAOAH-UHFFFAOYSA-N 1 0 331.445 2.633 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)ccc1NC(=O)C(C)C ZINC000055183206 472149526 /nfs/dbraw/zinc/14/95/26/472149526.db2.gz HCZGHXPETDMZEC-HNNXBMFYSA-N 1 0 331.460 2.804 50 0 EFAARO O=c1oc2ccccc2n1CC[N@H+](C/C=C/c1ccccc1)CCO ZINC000055196658 472150755 /nfs/dbraw/zinc/15/07/55/472150755.db2.gz SYPVDBOCFPGJFP-RMKNXTFCSA-N 1 0 338.407 2.602 50 0 EFAARO CC[C@@H](C)Oc1ccc(C[NH2+]CCN2CCNC2=O)cc1Cl ZINC000055227171 472155111 /nfs/dbraw/zinc/15/51/11/472155111.db2.gz UGTBGCOZZDVBKI-GFCCVEGCSA-N 1 0 325.840 2.632 50 0 EFAARO CC[C@H](CO)[N@H+](CCn1c(=O)oc2ccccc21)Cc1ccsc1 ZINC000055282899 472163390 /nfs/dbraw/zinc/16/33/90/472163390.db2.gz JXZIZAHXRVYDLJ-OAHLLOKOSA-N 1 0 346.452 2.929 50 0 EFAARO CSc1ccc(CN(C(=O)[C@@H]([NH3+])Cc2cscn2)C2CC2)cc1 ZINC000055341453 472170822 /nfs/dbraw/zinc/17/08/22/472170822.db2.gz BJEZGGZZJUYHBK-INIZCTEOSA-N 1 0 347.509 2.926 50 0 EFAARO O=C(c1cc(-n2cccc2)ccn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000085472839 472253001 /nfs/dbraw/zinc/25/30/01/472253001.db2.gz JZWBCNKSTTVJLF-UHFFFAOYSA-N 1 0 338.455 2.963 50 0 EFAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(=O)[nH]c2ccccc21 ZINC000085874822 472269463 /nfs/dbraw/zinc/26/94/63/472269463.db2.gz JJMJOHPGKFUBRV-KBXCAEBGSA-N 1 0 339.439 2.522 50 0 biogenic EFAARO CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1O ZINC000044941180 472354428 /nfs/dbraw/zinc/35/44/28/472354428.db2.gz HTDXSIZCZUGTAG-OALUTQOASA-N 1 0 330.472 2.661 50 0 EFAARO COc1ccc(CN(Cc2ccncc2)C(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000097117182 472456814 /nfs/dbraw/zinc/45/68/14/472456814.db2.gz FWZGNPDXDWUUOG-HXUWFJFHSA-N 1 0 339.439 2.761 50 0 EFAARO Cc1nc(CC[N@@H+](C)Cc2c(C)cc(C)cc2-n2cccn2)no1 ZINC000097259342 472488138 /nfs/dbraw/zinc/48/81/38/472488138.db2.gz JLGRUHYQRAZCPA-UHFFFAOYSA-N 1 0 325.416 2.855 50 0 EFAARO COCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)CCCC3)C1 ZINC000097294919 472489460 /nfs/dbraw/zinc/48/94/60/472489460.db2.gz RKAZSOGQCQXATG-LJQANCHMSA-N 1 0 330.472 2.540 50 0 EFAARO CC[NH+]1CCC(N(CCc2ccccn2)C(=O)c2ncoc2C)CC1 ZINC000097323872 472491116 /nfs/dbraw/zinc/49/11/16/472491116.db2.gz AKHIZOXOGDTZQB-UHFFFAOYSA-N 1 0 342.443 2.547 50 0 EFAARO CCOCc1cc(C[NH+]2CCC3(COC(=O)O3)CC2)ccc1OC ZINC000097360085 472492374 /nfs/dbraw/zinc/49/23/74/472492374.db2.gz AOLFUTPYOYUHMR-UHFFFAOYSA-N 1 0 335.400 2.733 50 0 EFAARO C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC(c2ncon2)CC1 ZINC000097370359 472492590 /nfs/dbraw/zinc/49/25/90/472492590.db2.gz GRJMPUJJJKEBPZ-CYBMUJFWSA-N 1 0 329.400 2.857 50 0 EFAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000097468565 472495891 /nfs/dbraw/zinc/49/58/91/472495891.db2.gz HRTHCHCNQWVUOF-ZBWUASRJSA-N 1 0 341.499 2.718 50 0 EFAARO Cn1cnnc1C1CC[NH+](Cc2cnn(-c3ccccc3F)c2)CC1 ZINC000097425578 472496875 /nfs/dbraw/zinc/49/68/75/472496875.db2.gz PPBJIZPGAYKTKY-UHFFFAOYSA-N 1 0 340.406 2.520 50 0 EFAARO CC(C)[NH+]1CCC(CC(=O)N(Cc2cocn2)Cc2cocn2)CC1 ZINC000097532404 472499716 /nfs/dbraw/zinc/49/97/16/472499716.db2.gz JGZQKOGFXIZVCO-UHFFFAOYSA-N 1 0 346.431 2.702 50 0 EFAARO COc1cccc(Oc2ccc(NC(=O)N3CC[NH2+]C[C@H]3C)cn2)c1 ZINC000097532817 472499898 /nfs/dbraw/zinc/49/98/98/472499898.db2.gz WQJINESYOQBZIC-CYBMUJFWSA-N 1 0 342.399 2.708 50 0 EFAARO C[NH+](C)Cc1cccc(C(=O)NCc2csc(N3CCCC3)n2)c1 ZINC000097568838 472499976 /nfs/dbraw/zinc/49/99/76/472499976.db2.gz SODYNKREKRZHSA-UHFFFAOYSA-N 1 0 344.484 2.735 50 0 EFAARO C[N@@H+]1CCCCC[C@H]1C(=O)N(Cc1cccnc1)Cc1cccnc1 ZINC000097528039 472500065 /nfs/dbraw/zinc/50/00/65/472500065.db2.gz ALIYJRUXUQUVSA-IBGZPJMESA-N 1 0 338.455 2.880 50 0 EFAARO CNc1cc(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)ccn1 ZINC000097547770 472500262 /nfs/dbraw/zinc/50/02/62/472500262.db2.gz JKXOPNSSEZYQSP-UHFFFAOYSA-N 1 0 342.418 2.657 50 0 EFAARO Cc1ccc(-c2ccc(NC(=O)NC[C@H]3C[NH2+]CCO3)cc2)cc1 ZINC000097637992 472502319 /nfs/dbraw/zinc/50/23/19/472502319.db2.gz GOZWHZILORJWIB-GOSISDBHSA-N 1 0 325.412 2.772 50 0 EFAARO Cc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c(-c2ccccc2)o1 ZINC000097610286 472502433 /nfs/dbraw/zinc/50/24/33/472502433.db2.gz BDUCMJODUNKJTD-QGZVFWFLSA-N 1 0 342.439 2.832 50 0 EFAARO COCC1(c2nc(C3CCOCC3)nn2-c2cc[nH+]cc2C)CC1 ZINC000097681962 472504284 /nfs/dbraw/zinc/50/42/84/472504284.db2.gz PAAJCTHFLQJXJR-UHFFFAOYSA-N 1 0 328.416 2.543 50 0 EFAARO CC1(C)CC(CC(=O)N[C@@H](CO)c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000097713702 472505164 /nfs/dbraw/zinc/50/51/64/472505164.db2.gz JLISXBBOUUKFFG-INIZCTEOSA-N 1 0 336.451 2.922 50 0 EFAARO Cc1cc2occ(CC(=O)NCC[N@@H+]3CCCC[C@@H]3CO)c2c(C)c1 ZINC000097732723 472506414 /nfs/dbraw/zinc/50/64/14/472506414.db2.gz GKBGNTATCKLYTJ-QGZVFWFLSA-N 1 0 344.455 2.555 50 0 EFAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCCCc2ccc(Cl)cc2)C1 ZINC000097730039 472506669 /nfs/dbraw/zinc/50/66/69/472506669.db2.gz NELYZQLTGDRKPH-KRWDZBQOSA-N 1 0 338.879 2.888 50 0 EFAARO COc1cccc2ccc(CN3CC[NH+](C4CCOCC4)CC3)nc21 ZINC000097730148 472507024 /nfs/dbraw/zinc/50/70/24/472507024.db2.gz WKYSRCLMBIKXQQ-UHFFFAOYSA-N 1 0 341.455 2.540 50 0 EFAARO C[C@@H](NC(=O)C1CC[NH+](C2CCN(C)CC2)CC1)c1ccsc1 ZINC000097732771 472507091 /nfs/dbraw/zinc/50/70/91/472507091.db2.gz LSDCVGNURBARHH-CQSZACIVSA-N 1 0 335.517 2.732 50 0 EFAARO Cc1nc(C)c(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000097732808 472507141 /nfs/dbraw/zinc/50/71/41/472507141.db2.gz JVXHYRFAPRNQAI-INIZCTEOSA-N 1 0 329.469 2.693 50 0 EFAARO COc1cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc2c1OCO2 ZINC000097743019 472507257 /nfs/dbraw/zinc/50/72/57/472507257.db2.gz UOGALRRCMAMLEJ-AWEZNQCLSA-N 1 0 327.384 2.594 50 0 EFAARO COc1ccc(-n2cccn2)c(C[N@H+](Cc2cnn(C)c2)C2CC2)c1 ZINC000097784791 472508414 /nfs/dbraw/zinc/50/84/14/472508414.db2.gz PCZJNJPJHDISHV-UHFFFAOYSA-N 1 0 337.427 2.779 50 0 EFAARO CC(C)C(=O)c1cc2c(cc1NC(=O)CC[NH+]1CCCC1)OCCO2 ZINC000098086824 472517320 /nfs/dbraw/zinc/51/73/20/472517320.db2.gz ANUDPQUBCNAYBP-UHFFFAOYSA-N 1 0 346.427 2.721 50 0 EFAARO c1nc(N2CCCC2)ncc1CN1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000077408283 472522616 /nfs/dbraw/zinc/52/26/16/472522616.db2.gz SEUUOJBAQYKDNG-GOSISDBHSA-N 1 0 343.519 2.775 50 0 EFAARO COc1c(C)cc(C(=O)[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1C ZINC000071523975 472553997 /nfs/dbraw/zinc/55/39/97/472553997.db2.gz PCCWLJXMSAUPDL-CQSZACIVSA-N 1 0 340.427 2.784 50 0 EFAARO O=C1CCCN1C1CC[NH+](Cc2ccccc2Cn2cccn2)CC1 ZINC000071764100 472562523 /nfs/dbraw/zinc/56/25/23/472562523.db2.gz KFBNQAPUUYPXHA-UHFFFAOYSA-N 1 0 338.455 2.518 50 0 EFAARO CC(C)NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071774818 472564112 /nfs/dbraw/zinc/56/41/12/472564112.db2.gz VFWRKDWLDITCIT-LJQANCHMSA-N 1 0 349.494 2.883 50 0 EFAARO COC(=O)c1cc(F)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000090513241 472629331 /nfs/dbraw/zinc/62/93/31/472629331.db2.gz AGPAGDTZNRMSLV-UHFFFAOYSA-N 1 0 328.387 2.935 50 0 EFAARO CCN1C[C@@]2(CCC[N@H+](CCOc3ccc(OC)cc3)C2)CCC1=O ZINC000072431627 472663654 /nfs/dbraw/zinc/66/36/54/472663654.db2.gz FYWGFGGXBYPVLB-FQEVSTJZSA-N 1 0 346.471 2.799 50 0 EFAARO COc1ccc(F)c(CN2CC[N@H+](CC=C(C)C)[C@H](CCO)C2)c1 ZINC000104297967 472665914 /nfs/dbraw/zinc/66/59/14/472665914.db2.gz SYRCLPRNOYWDBR-QGZVFWFLSA-N 1 0 336.451 2.669 50 0 EFAARO CC(C)CC[N@@H+]1CCN(Cc2cc(F)ccc2F)C[C@H]1CCO ZINC000104388007 472669464 /nfs/dbraw/zinc/66/94/64/472669464.db2.gz ZGVIOAWMWYBSHF-QGZVFWFLSA-N 1 0 326.431 2.880 50 0 EFAARO CC(C)=CCN1CCN(Cc2cccc(C(C)=O)c2)C[C@H]1CCO ZINC000104409332 472670858 /nfs/dbraw/zinc/67/08/58/472670858.db2.gz NEOSSPVSHVYLME-HXUWFJFHSA-N 1 0 330.472 2.724 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2ccc3ncccc3c2)C[C@H]1CCO ZINC000104496049 472674564 /nfs/dbraw/zinc/67/45/64/472674564.db2.gz XKPUAWCCNGPEGB-LJQANCHMSA-N 1 0 327.472 2.759 50 0 EFAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(O)cc3)C[C@H]2CCO)cc1 ZINC000104544438 472676964 /nfs/dbraw/zinc/67/69/64/472676964.db2.gz HWNJLQCGVYICQQ-HXUWFJFHSA-N 1 0 340.467 2.769 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2cccc3cnccc32)C[C@H]1CCO ZINC000104539680 472677032 /nfs/dbraw/zinc/67/70/32/472677032.db2.gz PZIXHVCAAHSZJY-LJQANCHMSA-N 1 0 327.472 2.759 50 0 EFAARO O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605175 472710428 /nfs/dbraw/zinc/71/04/28/472710428.db2.gz CEYGWJBUAVXTTL-CQSZACIVSA-N 1 0 334.847 2.588 50 0 EFAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccccc1)CC2 ZINC000091288701 472753004 /nfs/dbraw/zinc/75/30/04/472753004.db2.gz SHCMGNXFENMJHG-UHFFFAOYSA-N 1 0 330.472 2.928 50 0 EFAARO Cc1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000091441555 472767055 /nfs/dbraw/zinc/76/70/55/472767055.db2.gz UQRQBAKAQWFARC-IBGZPJMESA-N 1 0 330.476 2.865 50 0 EFAARO [NH3+][C@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)nc2)C[C@@H]1C1CC1 ZINC000091462483 472770066 /nfs/dbraw/zinc/77/00/66/472770066.db2.gz YBVQMCULEORWBN-SJORKVTESA-N 1 0 325.387 2.697 50 0 EFAARO CCc1[nH+]c(N)nc(N2CCC([C@H](O)c3cccs3)CC2)c1C ZINC000091487056 472773627 /nfs/dbraw/zinc/77/36/27/472773627.db2.gz OHWWLQSJKYYWJJ-HNNXBMFYSA-N 1 0 332.473 2.941 50 0 EFAARO c1cnn(Cc2nnc(C3CC[NH+](CC4CCC4)CC3)n2C2CC2)c1 ZINC000091493328 472773931 /nfs/dbraw/zinc/77/39/31/472773931.db2.gz UQEJQNJNBGICRK-UHFFFAOYSA-N 1 0 340.475 2.837 50 0 EFAARO CCCCOCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091526244 472774608 /nfs/dbraw/zinc/77/46/08/472774608.db2.gz IDNDVEFRXBAUFS-RTBURBONSA-N 1 0 330.472 2.926 50 0 EFAARO Cc1cc2nc(CN3CC4(CC[NH2+]CC4)CCC3=O)[nH]c2cc1C ZINC000091551089 472776366 /nfs/dbraw/zinc/77/63/66/472776366.db2.gz OAFUKTDZGGVGBY-UHFFFAOYSA-N 1 0 326.444 2.672 50 0 EFAARO CCn1ccc2ccc(CN3C[C@@H](CO)C[C@H](C[NH+](C)C)C3)cc21 ZINC000091551766 472777247 /nfs/dbraw/zinc/77/72/47/472777247.db2.gz KMHLQCIMKCSERT-MSOLQXFVSA-N 1 0 329.488 2.653 50 0 EFAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccsc1)CC2 ZINC000091602667 472782200 /nfs/dbraw/zinc/78/22/00/472782200.db2.gz DASOMBLOGVJMQC-UHFFFAOYSA-N 1 0 336.501 2.989 50 0 EFAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2F)C[C@H]1CCCO ZINC000091624723 472785133 /nfs/dbraw/zinc/78/51/33/472785133.db2.gz ZLVNKOMZCPPUKP-WBMJQRKESA-N 1 0 342.842 2.644 50 0 EFAARO C[C@@H]1CN(C(=O)C2([NH+]3CCCC3)CCCC2)CC[C@@]1(O)C1CCC1 ZINC000091636463 472788329 /nfs/dbraw/zinc/78/83/29/472788329.db2.gz UPODZQFINSYXNS-UZLBHIALSA-N 1 0 334.504 2.795 50 0 EFAARO CSc1ccccc1C[NH+]1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000091645113 472789282 /nfs/dbraw/zinc/78/92/82/472789282.db2.gz ATZGAWIKCZHFEI-UHFFFAOYSA-N 1 0 348.512 2.605 50 0 EFAARO c1cn([C@H]2CCCc3ccccc32)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091664669 472790019 /nfs/dbraw/zinc/79/00/19/472790019.db2.gz HIJVLMFAVBYSLY-IBGZPJMESA-N 1 0 348.454 2.992 50 0 EFAARO C[N@H+]1C[C@H]2CC[C@H](CN2S(=O)(=O)c2cccc3ccccc32)C1 ZINC000091650792 472790414 /nfs/dbraw/zinc/79/04/14/472790414.db2.gz UETWAQNOYIJODR-GOEBONIOSA-N 1 0 330.453 2.555 50 0 EFAARO COCCn1ccnc1C1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000091651144 472790586 /nfs/dbraw/zinc/79/05/86/472790586.db2.gz OZQQPXXLUTXQSU-IBGZPJMESA-N 1 0 343.471 2.833 50 0 EFAARO CC(C)n1ccnc1C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000091679430 472792926 /nfs/dbraw/zinc/79/29/26/472792926.db2.gz QWVQLDZAWFVDQB-LJQANCHMSA-N 1 0 330.476 2.689 50 0 EFAARO CC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1CO ZINC000091693761 472794216 /nfs/dbraw/zinc/79/42/16/472794216.db2.gz BZUUBGQZLCSNMT-CHWSQXEVSA-N 1 0 345.270 2.626 50 0 EFAARO COCCn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000091694277 472794516 /nfs/dbraw/zinc/79/45/16/472794516.db2.gz ZOAHGVIWBCKBCA-KRWDZBQOSA-N 1 0 329.444 2.918 50 0 EFAARO C[NH+](C)CCN(C(=O)C(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC000091695770 472794972 /nfs/dbraw/zinc/79/49/72/472794972.db2.gz KMKKRXHSZKLZEQ-UHFFFAOYSA-N 1 0 329.244 2.557 50 0 EFAARO COCCn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000091694275 472795038 /nfs/dbraw/zinc/79/50/38/472795038.db2.gz ZOAHGVIWBCKBCA-QGZVFWFLSA-N 1 0 329.444 2.918 50 0 EFAARO CCCCOc1c(C[N@@H+]2CC[C@]3(C2)CCCNC3=O)cccc1OC ZINC000091707900 472797724 /nfs/dbraw/zinc/79/77/24/472797724.db2.gz MCDJDZVBXKVCQG-FQEVSTJZSA-N 1 0 346.471 2.976 50 0 EFAARO CCCCOc1c(C[N@@H+]2CC[C@@]3(C2)CCCNC3=O)cccc1OC ZINC000091707898 472798407 /nfs/dbraw/zinc/79/84/07/472798407.db2.gz MCDJDZVBXKVCQG-HXUWFJFHSA-N 1 0 346.471 2.976 50 0 EFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc3c(cc1OC)OCCO3)C2 ZINC000091746137 472801683 /nfs/dbraw/zinc/80/16/83/472801683.db2.gz QLNUPSSUZKSTQT-DOTOQJQBSA-N 1 0 346.471 2.773 50 0 EFAARO Cc1noc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000091745691 472802364 /nfs/dbraw/zinc/80/23/64/472802364.db2.gz CKLHBXNVRWRMPH-ZWKOTPCHSA-N 1 0 339.439 2.914 50 0 EFAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1c[nH]c(=O)c(Cl)c1)C2 ZINC000091877149 472819861 /nfs/dbraw/zinc/81/98/61/472819861.db2.gz LFJKYZCGWXWFJE-UKRRQHHQSA-N 1 0 349.862 2.531 50 0 EFAARO COc1ccc2[nH]c(CNC[C@]3(O)CCC[N@@H+]4CCCC[C@@H]43)cc2c1 ZINC000063856824 472821530 /nfs/dbraw/zinc/82/15/30/472821530.db2.gz FYWCBHMGPKMYKJ-WOJBJXKFSA-N 1 0 343.471 2.646 50 0 EFAARO O=C(c1cccs1)N1CC[C@@]2(O)CC[N@H+](C3CCCCC3)C[C@H]2C1 ZINC000092004071 472839769 /nfs/dbraw/zinc/83/97/69/472839769.db2.gz WCLJFQUAGQFVPZ-KXBFYZLASA-N 1 0 348.512 2.980 50 0 EFAARO O=C(CCCc1ccccc1)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000092001369 472840143 /nfs/dbraw/zinc/84/01/43/472840143.db2.gz GETCTLXMUXTOLV-WOJBJXKFSA-N 1 0 344.499 2.562 50 0 EFAARO Nc1cc(N2CCC(c3nccn3Cc3ccncc3)CC2)cc[nH+]1 ZINC000092019539 472844400 /nfs/dbraw/zinc/84/44/00/472844400.db2.gz BRBXWUKQXGHOPZ-UHFFFAOYSA-N 1 0 334.427 2.688 50 0 EFAARO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)ccc1F ZINC000092045570 472847375 /nfs/dbraw/zinc/84/73/75/472847375.db2.gz MGQAMTXTDJOGPU-HZPDHXFCSA-N 1 0 342.418 2.725 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2n1CCOC ZINC000079338012 472850776 /nfs/dbraw/zinc/85/07/76/472850776.db2.gz HRPFDKPRRRUZGE-INIZCTEOSA-N 1 0 329.444 2.502 50 0 EFAARO CC(C)(C)c1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)[nH]n1 ZINC000092098709 472859220 /nfs/dbraw/zinc/85/92/20/472859220.db2.gz YQDPSZNHPOZPIX-HXUWFJFHSA-N 1 0 344.503 2.932 50 0 EFAARO COc1c(C)cnc(C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1C ZINC000092107001 472863627 /nfs/dbraw/zinc/86/36/27/472863627.db2.gz QSHNOIPGBQXEGN-QRWLVFNGSA-N 1 0 348.487 2.707 50 0 EFAARO CCNc1nc(N2CCN(C(=O)Nc3ccccc3)CC2)cc(C)[nH+]1 ZINC000064800317 472877270 /nfs/dbraw/zinc/87/72/70/472877270.db2.gz MRPAOWWMXWRLEZ-UHFFFAOYSA-N 1 0 340.431 2.571 50 0 EFAARO Cc1ccc(NC(=O)NCCNc2cc(N(C)C)nc(C)[nH+]2)cc1C ZINC000065362638 472926608 /nfs/dbraw/zinc/92/66/08/472926608.db2.gz FLUOMONDKMPAHM-UHFFFAOYSA-N 1 0 342.447 2.701 50 0 EFAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCc2nccn2Cc2ccccc2)C1 ZINC000065373190 472928387 /nfs/dbraw/zinc/92/83/87/472928387.db2.gz YRWUVMKDVTXNHF-FQEVSTJZSA-N 1 0 340.471 2.670 50 0 EFAARO O=C(CC[NH2+]C[C@@H](O)c1ccccc1Cl)NCc1cccs1 ZINC000065380334 472929631 /nfs/dbraw/zinc/92/96/31/472929631.db2.gz IGKUOCFOIHMFTM-OAHLLOKOSA-N 1 0 338.860 2.731 50 0 EFAARO C[C@H]([NH2+]CCC(=O)NCc1ccco1)c1ccc2c(c1)OCCCO2 ZINC000065376183 472929729 /nfs/dbraw/zinc/92/97/29/472929729.db2.gz HSFJDYZPMPVBFQ-AWEZNQCLSA-N 1 0 344.411 2.798 50 0 EFAARO O=C(c1ccccc1OC(F)(F)C(F)F)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065375118 472930052 /nfs/dbraw/zinc/93/00/52/472930052.db2.gz PUJWCVXQGCAWGP-MNOVXSKESA-N 1 0 346.324 2.890 50 0 EFAARO CC(C)c1nc(CCNC(=O)[C@H]2CCC[N@@H+](C3CCCCC3)C2)no1 ZINC000065385021 472931057 /nfs/dbraw/zinc/93/10/57/472931057.db2.gz FPLQCBKHGMMFQP-HNNXBMFYSA-N 1 0 348.491 2.896 50 0 EFAARO COc1cccc(OC)c1OCCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000065396143 472932234 /nfs/dbraw/zinc/93/22/34/472932234.db2.gz KAYYKSJTZKDQMB-INIZCTEOSA-N 1 0 334.460 2.643 50 0 EFAARO CC[N@@H+](Cc1ccc(C(=O)Nc2nncs2)cc1)C[C@@H]1CCCO1 ZINC000065396097 472932555 /nfs/dbraw/zinc/93/25/55/472932555.db2.gz NNQBOEVIQBWVFO-HNNXBMFYSA-N 1 0 346.456 2.791 50 0 EFAARO C[N@H+](CCC(=O)Nc1cccnc1)Cc1cc(-c2cccnc2)no1 ZINC000065405087 472935341 /nfs/dbraw/zinc/93/53/41/472935341.db2.gz MBMPFVKRKSVLJW-UHFFFAOYSA-N 1 0 337.383 2.592 50 0 EFAARO CCc1ccc2oc(=O)cc(C[N@H+](C)C[C@H](C)N3CCOCC3)c2c1 ZINC000065461612 472946487 /nfs/dbraw/zinc/94/64/87/472946487.db2.gz XKRMSXPNPBRNTP-HNNXBMFYSA-N 1 0 344.455 2.508 50 0 EFAARO COCC[N@@H+]1CC[C@H](C(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 ZINC000065462057 472946631 /nfs/dbraw/zinc/94/66/31/472946631.db2.gz ZJPQHGAGQIXGOR-SFHVURJKSA-N 1 0 340.467 2.542 50 0 EFAARO CCOc1ccccc1NC(=O)CC[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000065535794 472969945 /nfs/dbraw/zinc/96/99/45/472969945.db2.gz NDIGTLAFNFAZNL-QGZVFWFLSA-N 1 0 333.476 2.686 50 0 EFAARO NC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000065858552 473020389 /nfs/dbraw/zinc/02/03/89/473020389.db2.gz WQEOJRKGTVJZPF-UHFFFAOYSA-N 1 0 337.423 2.636 50 0 EFAARO O=C1NCCN1C1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000052214730 473095320 /nfs/dbraw/zinc/09/53/20/473095320.db2.gz ZZIYFHZVBQABCF-UHFFFAOYSA-N 1 0 339.439 2.708 50 0 EFAARO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000095355511 473190560 /nfs/dbraw/zinc/19/05/60/473190560.db2.gz SLEIITSWUODQPN-MRXNPFEDSA-N 1 0 342.491 2.962 50 0 EFAARO CN(CCCn1cccn1)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095355616 473190832 /nfs/dbraw/zinc/19/08/32/473190832.db2.gz HODFFNZLYGJDGD-UHFFFAOYSA-N 1 0 332.492 2.776 50 0 EFAARO CC[C@@H](NC(=O)CCC[NH+]1CCCCC1)c1cn2cccnc2n1 ZINC000095359678 473191001 /nfs/dbraw/zinc/19/10/01/473191001.db2.gz KBOHIQOACNVRTA-OAHLLOKOSA-N 1 0 329.448 2.563 50 0 EFAARO O=c1cc(C[NH2+]C[C@@H](CO)Cc2ccsc2)[nH]c2ccc(F)cc12 ZINC000095361490 473191058 /nfs/dbraw/zinc/19/10/58/473191058.db2.gz IPKYJQPHFTVWOU-ZDUSSCGKSA-N 1 0 346.427 2.670 50 0 EFAARO CCCn1cnnc1[C@H](C)NC(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095360407 473191198 /nfs/dbraw/zinc/19/11/98/473191198.db2.gz NOSWCMOOBJWESW-HNNXBMFYSA-N 1 0 347.507 2.910 50 0 EFAARO O=C(CSc1ccncc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095355107 473191267 /nfs/dbraw/zinc/19/12/67/473191267.db2.gz FNAPBVWLFYPWDE-IAGOWNOFSA-N 1 0 345.512 2.897 50 0 EFAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000095353485 473191314 /nfs/dbraw/zinc/19/13/14/473191314.db2.gz YBNIHLCAZNCXOF-KRWDZBQOSA-N 1 0 332.492 2.731 50 0 EFAARO CC(C)c1cc(N2CCc3nnc(-c4ccccc4)n3CC2)nc(N)[nH+]1 ZINC000095356984 473191351 /nfs/dbraw/zinc/19/13/51/473191351.db2.gz UTSCTWWPGWBJKD-UHFFFAOYSA-N 1 0 349.442 2.503 50 0 EFAARO CN(CCC[NH+]1CCCCCC1)C(=O)[C@H]1Cc2ccccc2CN1C ZINC000095363343 473191821 /nfs/dbraw/zinc/19/18/21/473191821.db2.gz JQARFXFGCSUGBN-HXUWFJFHSA-N 1 0 343.515 2.768 50 0 EFAARO O=C(NC[C@H](O)c1cccc(O)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095363263 473192131 /nfs/dbraw/zinc/19/21/31/473192131.db2.gz UPLSVQWXSHVUAY-IBGZPJMESA-N 1 0 346.471 2.587 50 0 EFAARO CCc1[nH+]c(N)nc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1C ZINC000095364506 473192162 /nfs/dbraw/zinc/19/21/62/473192162.db2.gz BYOLPJHVYRFTAR-OAHLLOKOSA-N 1 0 339.443 2.646 50 0 EFAARO Cc1ccc2c(c1)c(CNC(=O)CC[C@H]1CCCC[N@@H+]1C)nn2C ZINC000095368580 473192649 /nfs/dbraw/zinc/19/26/49/473192649.db2.gz FFPZIWOSTBZALT-OAHLLOKOSA-N 1 0 328.460 2.762 50 0 EFAARO CCCNC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095380386 473193132 /nfs/dbraw/zinc/19/31/32/473193132.db2.gz XSWJBOFUGYNYGS-IPMKNSEASA-N 1 0 343.471 2.677 50 0 EFAARO CCOc1ncccc1CNC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095384694 473193990 /nfs/dbraw/zinc/19/39/90/473193990.db2.gz SGZYKDOJJMXIBA-UHFFFAOYSA-N 1 0 343.427 2.602 50 0 EFAARO CSc1ncc(CNC(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)n1C ZINC000095387234 473194147 /nfs/dbraw/zinc/19/41/47/473194147.db2.gz RADZHRHOCRAASJ-OAHLLOKOSA-N 1 0 344.484 2.539 50 0 EFAARO COc1ccc([C@@H]2CN(C(=O)c3cccc(C)n3)C[C@H]2[NH+](C)C)cc1 ZINC000095388910 473194230 /nfs/dbraw/zinc/19/42/30/473194230.db2.gz AXTQXWCLEBLLOQ-PKOBYXMFSA-N 1 0 339.439 2.568 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCC(=O)N2CC(OCc3ccccc3F)C2)C1 ZINC000095383577 473194272 /nfs/dbraw/zinc/19/42/72/473194272.db2.gz PHDMEHFTEHGNBG-HNNXBMFYSA-N 1 0 334.435 2.675 50 0 EFAARO C[N@@H+]1CCC[C@H](CCC(=O)N2CC(OCc3ccccc3F)C2)C1 ZINC000095383576 473194312 /nfs/dbraw/zinc/19/43/12/473194312.db2.gz PHDMEHFTEHGNBG-OAHLLOKOSA-N 1 0 334.435 2.675 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2CCn2cccn2)CC1 ZINC000095391426 473194324 /nfs/dbraw/zinc/19/43/24/473194324.db2.gz VCLGAYGRCWXCQE-SFHVURJKSA-N 1 0 332.492 2.775 50 0 EFAARO Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095384808 473194394 /nfs/dbraw/zinc/19/43/94/473194394.db2.gz HSVIOXGBMNNBSG-GOSISDBHSA-N 1 0 340.471 2.808 50 0 EFAARO Cc1cnn(CC2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000095384736 473194558 /nfs/dbraw/zinc/19/45/58/473194558.db2.gz USZIDUSAHQDERG-SFHVURJKSA-N 1 0 332.492 2.695 50 0 EFAARO CCOCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000095390379 473194659 /nfs/dbraw/zinc/19/46/59/473194659.db2.gz ITDUUBDBPXGBGU-ZWKOTPCHSA-N 1 0 346.471 2.545 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc3cc(C)oc31)C2 ZINC000095388295 473194715 /nfs/dbraw/zinc/19/47/15/473194715.db2.gz ZRDZBCUEJNKCTO-NVXWUHKLSA-N 1 0 342.439 2.924 50 0 EFAARO CN(C)c1nc(NCc2cccc(C[NH+]3CCCC3)c2)ncc1F ZINC000095390656 473194943 /nfs/dbraw/zinc/19/49/43/473194943.db2.gz NWZRXWVCDZZAGY-UHFFFAOYSA-N 1 0 329.423 2.890 50 0 EFAARO CCn1c(CCNC(=O)[C@@H]2CCCCC[N@@H+]2C)nc2ccccc21 ZINC000095392884 473195594 /nfs/dbraw/zinc/19/55/94/473195594.db2.gz SVUWBIKWCZJWCW-KRWDZBQOSA-N 1 0 328.460 2.589 50 0 EFAARO Cn1nc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000170613328 473566189 /nfs/dbraw/zinc/56/61/89/473566189.db2.gz BVNOCQFUEAJMIL-ZBFHGGJFSA-N 1 0 326.444 2.568 50 0 EFAARO O=C(CCc1ccc2c(c1)CCO2)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613704 473566666 /nfs/dbraw/zinc/56/66/66/473566666.db2.gz UHDLBSVWLKMWNJ-OALUTQOASA-N 1 0 342.483 2.935 50 0 EFAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1n[nH]c2c1CCCCC2 ZINC000170622139 473567645 /nfs/dbraw/zinc/56/76/45/473567645.db2.gz QMNFNYXKEAWXNL-YOEHRIQHSA-N 1 0 330.476 2.673 50 0 EFAARO Cc1cccc(C)c1OCC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195513517 474085832 /nfs/dbraw/zinc/08/58/32/474085832.db2.gz YCHAGOYQZQYXPX-UHFFFAOYSA-N 1 0 343.471 2.751 50 0 EFAARO CC[N@@H+](Cc1cnn2c1nc(C)cc2C)C[C@@H](O)c1cccc(O)c1 ZINC000214955005 474136676 /nfs/dbraw/zinc/13/66/76/474136676.db2.gz XSQGOPWGSBNXBK-GOSISDBHSA-N 1 0 340.427 2.607 50 0 EFAARO C[N@H+](Cc1cccc(OCCCn2ccnc2)c1)C1CCOCC1 ZINC000215696009 474137947 /nfs/dbraw/zinc/13/79/47/474137947.db2.gz WNEVHXUGUKYDGT-UHFFFAOYSA-N 1 0 329.444 2.963 50 0 EFAARO Cc1noc(C)c1CO[C@H]1CCOC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000218812145 474146777 /nfs/dbraw/zinc/14/67/77/474146777.db2.gz HDWMGJXJXJSAID-UXHICEINSA-N 1 0 342.439 2.723 50 0 EFAARO CN(Cc1ccccc1C[NH+](C)C)C(=O)[C@H](O)c1cccc(F)c1 ZINC000220651810 474155998 /nfs/dbraw/zinc/15/59/98/474155998.db2.gz BYQAZVNZXHMTEP-GOSISDBHSA-N 1 0 330.403 2.579 50 0 EFAARO O=C(C[NH+]1CCCCCCC1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000221218717 474159411 /nfs/dbraw/zinc/15/94/11/474159411.db2.gz VUIQWCYHRUIFKU-UHFFFAOYSA-N 1 0 326.444 2.755 50 0 EFAARO C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CC[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000221254150 474160007 /nfs/dbraw/zinc/16/00/07/474160007.db2.gz NAFXLKVHFXFEAF-IHPCNDPISA-N 1 0 341.499 2.743 50 0 EFAARO CC(C)(C)n1ccc(C(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000221417757 474161142 /nfs/dbraw/zinc/16/11/42/474161142.db2.gz SQFUUTFYGKXEGY-GOSISDBHSA-N 1 0 347.503 2.960 50 0 EFAARO Cc1nc2cc(CNC(=O)c3c(C)[nH]c4c3C(=O)CCC4)ccc2[nH]1 ZINC000221417198 474161450 /nfs/dbraw/zinc/16/14/50/474161450.db2.gz CHDBMMUELJLKSR-UHFFFAOYSA-N 1 0 336.395 2.957 50 0 EFAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000222348918 474167742 /nfs/dbraw/zinc/16/77/42/474167742.db2.gz XDCFLGBLKXEPIJ-HOTGVXAUSA-N 1 0 336.863 2.597 50 0 EFAARO O=C(CC[NH+]1CCCCC1)NCc1cc(-c2ccccc2F)no1 ZINC000222338921 474168549 /nfs/dbraw/zinc/16/85/49/474168549.db2.gz KGCMGMXBINTQDD-UHFFFAOYSA-N 1 0 331.391 2.973 50 0 EFAARO CN(Cc1cc2cc(F)ccc2[nH]1)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000222448056 474170139 /nfs/dbraw/zinc/17/01/39/474170139.db2.gz IWNJNCOBUKBMDE-UHFFFAOYSA-N 1 0 340.406 2.520 50 0 EFAARO CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000222790651 474173844 /nfs/dbraw/zinc/17/38/44/474173844.db2.gz PUQHSKFYQDFRNR-MOPGFXCFSA-N 1 0 346.471 2.618 50 0 EFAARO COc1ccc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)o1 ZINC000223273272 474182540 /nfs/dbraw/zinc/18/25/40/474182540.db2.gz FRGUDOGRWRFHCB-UHFFFAOYSA-N 1 0 328.412 2.682 50 0 EFAARO O=C(CSc1ccncc1)NC[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000223363928 474183717 /nfs/dbraw/zinc/18/37/17/474183717.db2.gz IMFYSMYDHCOHMH-OAHLLOKOSA-N 1 0 333.501 2.945 50 0 EFAARO C[N@@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000223563314 474187056 /nfs/dbraw/zinc/18/70/56/474187056.db2.gz QWUHKMWYNBLXQU-FQEVSTJZSA-N 1 0 343.515 2.714 50 0 EFAARO OC1CC(c2cc(NCc3ccc(C[NH+]4CCCC4)cc3)ncn2)C1 ZINC000223668657 474188602 /nfs/dbraw/zinc/18/86/02/474188602.db2.gz ZCKHEZYMANPFDH-UHFFFAOYSA-N 1 0 338.455 2.923 50 0 EFAARO Cc1cccc([C@H](C(=O)NCCNc2cc[nH+]cc2C)N(C)C)c1 ZINC000223860661 474192518 /nfs/dbraw/zinc/19/25/18/474192518.db2.gz NLOBQRRNXYDIOP-GOSISDBHSA-N 1 0 326.444 2.529 50 0 EFAARO COc1cccc(C(=O)N2CC[C@H]([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000225684506 474235108 /nfs/dbraw/zinc/23/51/08/474235108.db2.gz QFUJDMHLRACTQU-IBGZPJMESA-N 1 0 336.435 2.968 50 0 EFAARO CN1CC[N@H+](C)CC12CC[NH+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000248027579 474247673 /nfs/dbraw/zinc/24/76/73/474247673.db2.gz NBUVWLFGXKHRJZ-GOSISDBHSA-N 1 0 347.503 2.733 50 0 EFAARO CC[NH+](CC)CCOC(=O)C[C@](C)(O)[C@@H]1CCO[C@](C)(CC)C1 ZINC000248099609 474258589 /nfs/dbraw/zinc/25/85/89/474258589.db2.gz NJVWNHTWZNLWLA-NXHRZFHOSA-N 1 0 329.481 2.608 50 0 biogenic EFAARO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000237916780 474503588 /nfs/dbraw/zinc/50/35/88/474503588.db2.gz HANGKDDRQIURQW-FQEVSTJZSA-N 1 0 335.451 2.833 50 0 EFAARO c1coc(CCC[N@H+]2CCc3nnc(Cc4ccccc4)n3CC2)c1 ZINC000244724227 474565112 /nfs/dbraw/zinc/56/51/12/474565112.db2.gz MQEZQTQRJPNGSY-UHFFFAOYSA-N 1 0 336.439 2.953 50 0 EFAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCCCC1 ZINC000244724038 474565210 /nfs/dbraw/zinc/56/52/10/474565210.db2.gz MMKKSPGGIXDAJW-SFHVURJKSA-N 1 0 332.492 2.885 50 0 EFAARO COc1cc2c(cc1OC)C[N@H+](C[C@H](O)CO[C@H]1CCC[C@@H]1C)CC2 ZINC000244673993 474565415 /nfs/dbraw/zinc/56/54/15/474565415.db2.gz HZKWJLGDBRNGQP-WBAXXEDZSA-N 1 0 349.471 2.628 50 0 EFAARO Cc1c(F)cccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](O)CC2)C1 ZINC000244788105 474567241 /nfs/dbraw/zinc/56/72/41/474567241.db2.gz QJKXLSFRIWAHJP-XYJFISCASA-N 1 0 348.462 2.623 50 0 EFAARO COc1ccc(OC)c(COC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000244873610 474567797 /nfs/dbraw/zinc/56/77/97/474567797.db2.gz WSYOLZVNRJITHS-BFYDXBDKSA-N 1 0 337.460 2.844 50 0 EFAARO CCc1nnc(NC(=O)CC[NH+]2CCC(CSC)CC2)s1 ZINC000244900224 474568371 /nfs/dbraw/zinc/56/83/71/474568371.db2.gz ZYFAFVVAIDVLPC-UHFFFAOYSA-N 1 0 328.507 2.504 50 0 EFAARO CC(C)Oc1ccc(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000244899378 474569022 /nfs/dbraw/zinc/56/90/22/474569022.db2.gz ZITAZMDSLIUSAO-QGZVFWFLSA-N 1 0 331.460 2.582 50 0 EFAARO C[N@H+](CCC(=O)Nc1ccc(F)cc1F)Cc1ccc2nonc2c1 ZINC000252482288 474667044 /nfs/dbraw/zinc/66/70/44/474667044.db2.gz DCJLRENDLNOHNE-UHFFFAOYSA-N 1 0 346.337 2.962 50 0 EFAARO Cc1c2ccccc2oc1CNC(=O)CC[C@H](C)[NH+]1CCN(C)CC1 ZINC000252481366 474667957 /nfs/dbraw/zinc/66/79/57/474667957.db2.gz CJZVMIRDKSGWOC-HNNXBMFYSA-N 1 0 343.471 2.774 50 0 EFAARO Cc1nccc(C2CC[NH+]([C@@H](C)C(=O)NCc3ccccc3)CC2)n1 ZINC000252482002 474668059 /nfs/dbraw/zinc/66/80/59/474668059.db2.gz CWQBNQOTRHKUEI-HNNXBMFYSA-N 1 0 338.455 2.669 50 0 EFAARO O=C(CC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)NC1CCCCC1 ZINC000252482431 474668471 /nfs/dbraw/zinc/66/84/71/474668471.db2.gz DFEYRWQOONZNFL-UHFFFAOYSA-N 1 0 348.462 2.948 50 0 EFAARO C[C@H](Cc1cnccn1)[N@H+](C)CCC(=O)NCc1cccc(Cl)c1 ZINC000252492071 474676263 /nfs/dbraw/zinc/67/62/63/474676263.db2.gz MBURRWBXLZBSQQ-CQSZACIVSA-N 1 0 346.862 2.699 50 0 EFAARO C[C@@H]1CCCC[N@@H+]1C1CN(CCC(=O)Nc2ccc(F)cc2F)C1 ZINC000252492025 474677368 /nfs/dbraw/zinc/67/73/68/474677368.db2.gz MBCXCHRDDHVCHW-CYBMUJFWSA-N 1 0 337.414 2.852 50 0 EFAARO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CCn2cccn2)cc1 ZINC000252503569 474683593 /nfs/dbraw/zinc/68/35/93/474683593.db2.gz VFLFXEHHPJQOGQ-KRWDZBQOSA-N 1 0 342.443 2.775 50 0 EFAARO Cc1cn2c(nc(C[N@@H+](C)[C@@H](C)Cc3cc(C)ccn3)cc2=O)s1 ZINC000252508424 474686045 /nfs/dbraw/zinc/68/60/45/474686045.db2.gz XNEQJCMWJQACTK-ZDUSSCGKSA-N 1 0 342.468 2.831 50 0 EFAARO Cc1ccc(C(=O)N[C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)cc1Cl ZINC000252522943 474692373 /nfs/dbraw/zinc/69/23/73/474692373.db2.gz BMKWFPCNLPHNGX-ZOBUZTSGSA-N 1 0 336.863 2.517 50 0 EFAARO COc1cc(F)ccc1OCc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1 ZINC000252571540 474698495 /nfs/dbraw/zinc/69/84/95/474698495.db2.gz YCTPYEXUGRZLET-KLPPZKSPSA-N 1 0 332.379 2.544 50 0 EFAARO Cc1c[nH]c(CN(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)c(C)c1=O ZINC000253536372 474762792 /nfs/dbraw/zinc/76/27/92/474762792.db2.gz DKGZZFYUNQEIIR-GOSISDBHSA-N 1 0 325.456 2.893 50 0 EFAARO CC(C)=CC[NH+]1CCC2(CC[C@H](CNC(=O)c3cncs3)O2)CC1 ZINC000299764068 476150919 /nfs/dbraw/zinc/15/09/19/476150919.db2.gz KAFAZFAUEHCDEB-OAHLLOKOSA-N 1 0 349.500 2.853 50 0 EFAARO COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000299754414 476151438 /nfs/dbraw/zinc/15/14/38/476151438.db2.gz KQAXLJWXKSXUCN-MJGOQNOKSA-N 1 0 330.472 2.961 50 0 biogenic EFAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccccn1 ZINC000299774771 476153387 /nfs/dbraw/zinc/15/33/87/476153387.db2.gz GHHDZWUHPMJGEU-QGZVFWFLSA-N 1 0 328.412 2.938 50 0 EFAARO Cc1cc(C)nc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000302782227 476205277 /nfs/dbraw/zinc/20/52/77/476205277.db2.gz KDSAPFYHSGRYOV-SFHVURJKSA-N 1 0 326.444 2.796 50 0 EFAARO O=C(C[C@@H]1CCOC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000362696982 476354409 /nfs/dbraw/zinc/35/44/09/476354409.db2.gz GWUZVFZEAMUUBR-HNNXBMFYSA-N 1 0 336.863 2.847 50 0 EFAARO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000376151294 477200430 /nfs/dbraw/zinc/20/04/30/477200430.db2.gz QCRYZTLZAIQVAZ-GOSISDBHSA-N 1 0 330.476 2.530 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2cnc(N)c(C)c2)c1 ZINC000426370898 477706561 /nfs/dbraw/zinc/70/65/61/477706561.db2.gz BSLUOSYOVLFNAI-SFHVURJKSA-N 1 0 338.455 2.853 50 0 EFAARO Cc1cccc(OCCCN(C)C(=O)NC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000426420757 477709640 /nfs/dbraw/zinc/70/96/40/477709640.db2.gz PITLIZPXMDDGTA-KRWDZBQOSA-N 1 0 333.476 2.890 50 0 EFAARO C[C@H](c1ccon1)N(C)C(=O)c1ccc(Cl)cc1OCCC[NH3+] ZINC000426421707 477709679 /nfs/dbraw/zinc/70/96/79/477709679.db2.gz BFTBEFONFPWXCQ-LLVKDONJSA-N 1 0 337.807 2.889 50 0 EFAARO C[NH2+]Cc1nnc(SCc2cc(C(F)(F)F)ccc2F)n1C ZINC000426531587 477715808 /nfs/dbraw/zinc/71/58/08/477715808.db2.gz KZSDPRKQTWGTMI-UHFFFAOYSA-N 1 0 334.342 2.985 50 0 EFAARO C[N@@H+]1CC[C@H](CNC(=O)N2CCC(Cc3ccccc3F)CC2)C1 ZINC000426535191 477717634 /nfs/dbraw/zinc/71/76/34/477717634.db2.gz PHGZWUQJWHQDBD-MRXNPFEDSA-N 1 0 333.451 2.742 50 0 EFAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cncc(F)c2)C1 ZINC000426547551 477718392 /nfs/dbraw/zinc/71/83/92/477718392.db2.gz DZQRMBKBHJGUOD-OAHLLOKOSA-N 1 0 327.403 2.748 50 0 EFAARO Cc1cc(N2C[C@H]3C[N@@H+](C4CCCCC4)C[C@@]3(C(=O)[O-])C2)cc(C)[nH+]1 ZINC000426544269 477718736 /nfs/dbraw/zinc/71/87/36/477718736.db2.gz CPSXNECKMJOFKD-OXQOHEQNSA-N 1 0 343.471 2.854 50 0 EFAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cnc(-c4ccco4)nc3)[C@H]2C1 ZINC000426551809 477720654 /nfs/dbraw/zinc/72/06/54/477720654.db2.gz MJUDCJNEUXLXIR-VDZJLULYSA-N 1 0 343.427 2.895 50 0 EFAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCc1ncc(Cl)cn1 ZINC000426550066 477720971 /nfs/dbraw/zinc/72/09/71/477720971.db2.gz QJPRMWGOWNJLDX-DZGCQCFKSA-N 1 0 336.867 2.791 50 0 EFAARO Cc1cccnc1C[C@H](C)N(C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000426613615 477726040 /nfs/dbraw/zinc/72/60/40/477726040.db2.gz JUROGFPXKQLEIG-INIZCTEOSA-N 1 0 332.492 2.694 50 0 EFAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccc3nsnc3c2)C1 ZINC000426613575 477726745 /nfs/dbraw/zinc/72/67/45/477726745.db2.gz GYPFTCWKYOXZPV-AWEZNQCLSA-N 1 0 347.488 2.563 50 0 EFAARO CN(C)c1ccccc1-c1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000426635504 477729734 /nfs/dbraw/zinc/72/97/34/477729734.db2.gz QIJNISFHSKRUSM-FXAWDEMLSA-N 1 0 335.451 2.854 50 0 EFAARO CCn1cc(C[N@@H+]2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)cn1 ZINC000426693903 477738083 /nfs/dbraw/zinc/73/80/83/477738083.db2.gz VRJURBNGEKDIEY-GBESFXJTSA-N 1 0 333.476 2.842 50 0 EFAARO COc1ccc(C(=O)NCc2cc3ccccc3o2)c(OCC[NH3+])c1 ZINC000426689115 477738466 /nfs/dbraw/zinc/73/84/66/477738466.db2.gz GVCGAFAIVIANLN-UHFFFAOYSA-N 1 0 340.379 2.709 50 0 EFAARO Cn1c(CC[NH3+])nnc1SCc1ccc(C(F)(F)F)cc1F ZINC000426701339 477740494 /nfs/dbraw/zinc/74/04/94/477740494.db2.gz BRJMSTHLDJUEFH-UHFFFAOYSA-N 1 0 334.342 2.767 50 0 EFAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)NCCc2ncc[nH]2)cc1 ZINC000534578958 478160091 /nfs/dbraw/zinc/16/00/91/478160091.db2.gz ABJBCEXFXNBZHA-KRWDZBQOSA-N 1 0 341.459 2.561 50 0 EFAARO CCCn1ccnc1C[NH2+]C1CCN(C(=O)c2cccs2)CC1 ZINC000534591688 478160514 /nfs/dbraw/zinc/16/05/14/478160514.db2.gz GRFDZCDWXNMURT-UHFFFAOYSA-N 1 0 332.473 2.749 50 0 EFAARO C[C@@H](CNC(=O)N1CCC(OCc2ccccc2)CC1)[NH+]1CCCC1 ZINC000534634198 478163811 /nfs/dbraw/zinc/16/38/11/478163811.db2.gz XJBMWVNMIVPNSA-KRWDZBQOSA-N 1 0 345.487 2.862 50 0 EFAARO Cc1ccccc1[C@H](CNC(=O)N1CCOCC1)[NH+]1CCC(C)CC1 ZINC000534652176 478165346 /nfs/dbraw/zinc/16/53/46/478165346.db2.gz PWEKBLKIUQOUOL-IBGZPJMESA-N 1 0 345.487 2.810 50 0 EFAARO Cc1csc(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)CC2)c1 ZINC000534651201 478165986 /nfs/dbraw/zinc/16/59/86/478165986.db2.gz BDJKMICXJYFKQV-UHFFFAOYSA-N 1 0 328.503 2.601 50 0 EFAARO Cc1cc(CNC(=O)N(C)Cc2ccccc2C[NH+](C)C)ccn1 ZINC000534653093 478166360 /nfs/dbraw/zinc/16/63/60/478166360.db2.gz WQLUGFOBLSHDIE-UHFFFAOYSA-N 1 0 326.444 2.793 50 0 EFAARO CC(C)n1ccnc1C[NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000534658785 478167326 /nfs/dbraw/zinc/16/73/26/478167326.db2.gz PETPFZXCDMTKBP-QGZVFWFLSA-N 1 0 326.444 2.745 50 0 EFAARO COc1cccc(-n2c(C[NH3+])nnc2SC2CCSCC2)c1 ZINC000534667901 478168684 /nfs/dbraw/zinc/16/86/84/478168684.db2.gz PLKKXCDWEWHJMU-UHFFFAOYSA-N 1 0 336.486 2.722 50 0 EFAARO CC(C)Oc1cccc(CNC(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000534673840 478168862 /nfs/dbraw/zinc/16/88/62/478168862.db2.gz OIVDPRQSUANMAV-UHFFFAOYSA-N 1 0 331.460 2.711 50 0 EFAARO CN(Cc1ccccc1C[NH+](C)C)C(=O)NCc1cccc(CO)c1 ZINC000534670800 478169046 /nfs/dbraw/zinc/16/90/46/478169046.db2.gz BXVQPYSFZMEYTR-UHFFFAOYSA-N 1 0 341.455 2.582 50 0 EFAARO C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1c[nH]nc1-c1ccccc1 ZINC000534676818 478169482 /nfs/dbraw/zinc/16/94/82/478169482.db2.gz CIGFESBFXDNDNT-HNNXBMFYSA-N 1 0 341.459 2.702 50 0 EFAARO Cc1nccc(C2CCN(C(=O)NCC[C@@H](C)[NH+]3CCCC3)CC2)n1 ZINC000584886341 479270660 /nfs/dbraw/zinc/27/06/60/479270660.db2.gz SVSYYXBRNDLDGW-OAHLLOKOSA-N 1 0 345.491 2.548 50 0 EFAARO COc1ccc(CNC(=O)N(C)C[C@@H](C)C[NH+]2CCCC2)cc1F ZINC000584885492 479270891 /nfs/dbraw/zinc/27/08/91/479270891.db2.gz IHXUIHDEGDFQAS-CQSZACIVSA-N 1 0 337.439 2.708 50 0 EFAARO CC1(C)[C@@H]2C[C@H]1C(CCNC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1)=CC2 ZINC000584894968 479274768 /nfs/dbraw/zinc/27/47/68/479274768.db2.gz KSYFHEWYPUYAAN-WDSOQIARSA-N 1 0 345.531 2.702 50 0 EFAARO CN(Cc1nnc(-c2ccccc2)o1)C(=O)C[NH+]1CCCCCC1 ZINC000584897174 479275098 /nfs/dbraw/zinc/27/50/98/479275098.db2.gz DHLVNSPKYMYKNT-UHFFFAOYSA-N 1 0 328.416 2.571 50 0 EFAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC000584898210 479275675 /nfs/dbraw/zinc/27/56/75/479275675.db2.gz JTQGIPQWNHGFAF-AWEZNQCLSA-N 1 0 330.432 2.938 50 0 EFAARO CC(C)[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1[nH]nc2c1CCCCC2 ZINC000584898326 479275791 /nfs/dbraw/zinc/27/57/91/479275791.db2.gz SKLLYVNHXJBMKB-HNNXBMFYSA-N 1 0 347.507 2.693 50 0 EFAARO CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[C@@H](c3nccn3C)C2)c1 ZINC000585135020 479295313 /nfs/dbraw/zinc/29/53/13/479295313.db2.gz UQAGXTJZHIJGMK-AEFFLSMTSA-N 1 0 340.471 2.986 50 0 EFAARO Cc1cn2nc(N3C[C@@H]4C[C@H]3C[N@@H+]4Cc3ccccc3)sc2n1 ZINC000585136466 479296261 /nfs/dbraw/zinc/29/62/61/479296261.db2.gz HNGVOLLNSZCRAI-GJZGRUSLSA-N 1 0 325.441 2.562 50 0 EFAARO O=C(NCc1ccccc1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575616417 479456756 /nfs/dbraw/zinc/45/67/56/479456756.db2.gz JNYQJXNUCKXXBR-UHFFFAOYSA-N 1 0 333.501 2.800 50 0 EFAARO CC[C@H](CO)[NH2+]Cc1ccc(OC[C@H](O)c2ccccc2)c(OC)c1 ZINC000004840497 522226819 /nfs/dbraw/zinc/22/68/19/522226819.db2.gz DTLJXMDJHIJUFG-MSOLQXFVSA-N 1 0 345.439 2.668 50 0 EFAARO COCCC[NH2+]CCOCCOc1ccc(C)cc1Br ZINC000003001800 523374552 /nfs/dbraw/zinc/37/45/52/523374552.db2.gz GMMIQOGLPWUDQK-UHFFFAOYSA-N 1 0 346.265 2.779 50 0 EFAARO COc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000000036711 524590029 /nfs/dbraw/zinc/59/00/29/524590029.db2.gz NUGHHAYKNGOOAY-UHFFFAOYSA-N 1 0 339.439 2.846 50 0 EFAARO COc1cccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000188980143 525829158 /nfs/dbraw/zinc/82/91/58/525829158.db2.gz NEOXFZOORXOYEW-QAPCUYQASA-N 1 0 346.377 2.849 50 0 EFAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N[C@H]3CCCc4ccccc43)nn2)CC1 ZINC000243902125 527413915 /nfs/dbraw/zinc/41/39/15/527413915.db2.gz BGINCUAXEZRLGO-UXLLHSPISA-N 1 0 339.443 2.528 50 0 EFAARO O[C@@H](COc1ccccc1Cl)C[NH+]1CCN(c2ccccc2)CC1 ZINC000022574562 527662468 /nfs/dbraw/zinc/66/24/68/527662468.db2.gz FGOORCDFSHCTLK-QGZVFWFLSA-N 1 0 346.858 2.902 50 0 EFAARO CCC(CC)[NH2+][C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 ZINC000014960838 535083181 /nfs/dbraw/zinc/08/31/81/535083181.db2.gz BULIZFQMTIVKQB-KRWDZBQOSA-N 1 0 332.492 2.841 50 0 EFAARO CC(C)(Cc1ccc(O)cc1)NC(=O)CSCC[NH+]1CCCC1 ZINC000426428439 535188597 /nfs/dbraw/zinc/18/85/97/535188597.db2.gz 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C[C@@H]([NH+](C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169817136 564017239 /nfs/dbraw/zinc/01/72/39/564017239.db2.gz QNBLJKNFFUJJLE-IBGZPJMESA-N 1 0 331.535 2.646 50 0 EFAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)c2cc(F)ccc2F)CC1 ZINC000169751650 564100053 /nfs/dbraw/zinc/10/00/53/564100053.db2.gz ODYDXOGKYNHBRC-UHFFFAOYSA-N 1 0 349.381 2.964 50 0 EFAARO CCN(Cc1ccc(C)o1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000584884582 564131430 /nfs/dbraw/zinc/13/14/30/564131430.db2.gz LKQIMSRRZWZUHF-KRWDZBQOSA-N 1 0 349.475 2.763 50 0 EFAARO CC[NH+]1CCN(CCCOc2ccc(Br)cc2F)CC1 ZINC000230554462 564133469 /nfs/dbraw/zinc/13/34/69/564133469.db2.gz QSHNBNKPGTXXCV-UHFFFAOYSA-N 1 0 345.256 2.995 50 0 EFAARO O=C1CN(C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCN1c1ccccc1 ZINC000252500112 568419031 /nfs/dbraw/zinc/41/90/31/568419031.db2.gz SNFDXFQXTAVRQB-OAQYLSRUSA-N 1 0 349.478 3.000 50 0 EFAARO OC[C@@]12C[N@H+](Cc3ccc(C(F)(F)F)c(F)c3)C[C@@H]1COCC2 ZINC001772706839 1249292281 /nfs/dbraw/zinc/29/22/81/1249292281.db2.gz 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COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccsc3)C2)cc1F ZINC000618257199 1263287395 /nfs/dbraw/zinc/28/73/95/1263287395.db2.gz RGEXPQVHWOQSKE-CQSZACIVSA-N 1 0 334.416 2.900 50 0 EFAARO O=C(N[C@H]1CC[N@H+](Cc2ccsc2)C1)[C@@H]1CCc2ccccc2O1 ZINC000618256212 1263287920 /nfs/dbraw/zinc/28/79/20/1263287920.db2.gz FHHWORCDPZIMMK-WMZOPIPTSA-N 1 0 342.464 2.832 50 0 EFAARO Cn1nccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000011772780 1263874151 /nfs/dbraw/zinc/87/41/51/1263874151.db2.gz BPKLNBIGDONBKM-FQEVSTJZSA-N 1 0 344.503 2.929 50 0 EFAARO CCc1c(C(=O)N(CC)CC)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000011788427 1263930422 /nfs/dbraw/zinc/93/04/22/1263930422.db2.gz ZXCQFXAFOYENGE-MRXNPFEDSA-N 1 0 347.503 2.685 50 0 EFAARO CC(C)(CO)C[NH+]1CCC(n2nccc2NC(=O)C2CCCC2)CC1 ZINC000011818272 1264020292 /nfs/dbraw/zinc/02/02/92/1264020292.db2.gz FVZFVAUEBLJMOL-UHFFFAOYSA-N 1 0 348.491 2.667 50 0 EFAARO CC(=O)N[C@@H](c1nc(-c2ccco2)nn1-c1ccncc1)C(C)C ZINC000820575161 1264788526 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CCCc1ncncc1C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000823018951 1265194960 /nfs/dbraw/zinc/19/49/60/1265194960.db2.gz XCDQEZNMYWMBQC-UHFFFAOYSA-N 1 0 344.484 2.885 50 0 EFAARO COc1cccc(-n2cc(CNC3CC[NH+](C(C)C)CC3)cn2)c1 ZINC000824792849 1266945054 /nfs/dbraw/zinc/94/50/54/1266945054.db2.gz ZRQPANXOYJYVJT-UHFFFAOYSA-N 1 0 328.460 2.843 50 0 EFAARO Cc1ccccc1OC[C@@H](O)C(=O)NCCCC[NH+]1CCCCCC1 ZINC000827627154 1267455130 /nfs/dbraw/zinc/45/51/30/1267455130.db2.gz KCDQBWPMFAPXFM-GOSISDBHSA-N 1 0 348.487 2.507 50 0 EFAARO Cc1c(C(=O)Nc2ccccc2C[NH+]2CCCC2)cnc2ccnn21 ZINC000828202534 1267654848 /nfs/dbraw/zinc/65/48/48/1267654848.db2.gz QUZHKCSEHXZIAS-UHFFFAOYSA-N 1 0 335.411 2.886 50 0 EFAARO O=C(c1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012433634 1268308774 /nfs/dbraw/zinc/30/87/74/1268308774.db2.gz KACXPQAEDYZZFY-FQEVSTJZSA-N 1 0 338.455 2.581 50 0 EFAARO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)nc(C)n1 ZINC000012439943 1268388561 /nfs/dbraw/zinc/38/85/61/1268388561.db2.gz CVQDPLLKLNTWJB-GOSISDBHSA-N 1 0 338.455 2.530 50 0 EFAARO Nc1nc2c(s1)[C@H](c1cc(C[NH+]3CCCC3)cs1)CC(=O)NC2 ZINC000065394341 1271185285 /nfs/dbraw/zinc/18/52/85/1271185285.db2.gz HLKXOPJLDXDPAB-NSHDSACASA-N 1 0 348.497 2.534 50 0 EFAARO CCCc1cc(C[C@@H]2CC[C@H](C[N@@H+]3CCCOCC3)O2)nc(C)n1 ZINC000952854564 1284871242 /nfs/dbraw/zinc/87/12/42/1284871242.db2.gz QNUKZQNJAXSHKG-RBUKOAKNSA-N 1 0 333.476 2.550 50 0 EFAARO O=C(N[C@H]1CC(=O)Nc2ccccc21)C1([NH+]2CCCC2)CCCCC1 ZINC000952870159 1284890760 /nfs/dbraw/zinc/89/07/60/1284890760.db2.gz WBTQRXPGPYTTAI-KRWDZBQOSA-N 1 0 341.455 2.985 50 0 EFAARO COc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1C(=O)N(C)C ZINC000952872590 1284896391 /nfs/dbraw/zinc/89/63/91/1284896391.db2.gz AJMHOUWRCVWPRZ-OAHLLOKOSA-N 1 0 347.459 2.600 50 0 EFAARO CC[N@H+](C)C1(CNC(=O)c2cc(CC(C)C)nc(N)n2)CCCCC1 ZINC000952973913 1284946070 /nfs/dbraw/zinc/94/60/70/1284946070.db2.gz SIBGPPPVQZFJQG-UHFFFAOYSA-N 1 0 347.507 2.642 50 0 EFAARO CC(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000952974333 1284947599 /nfs/dbraw/zinc/94/75/99/1284947599.db2.gz WKBJMCTZLVZNDG-ZDUSSCGKSA-N 1 0 340.370 2.745 50 0 EFAARO Cc1ccc([C@H](CNC(=O)c2cc(C(C)C)nc(N)n2)[NH+](C)C)cc1 ZINC000952977232 1284951624 /nfs/dbraw/zinc/95/16/24/1284951624.db2.gz XNEFGLIBDVVBNS-KRWDZBQOSA-N 1 0 341.459 2.523 50 0 EFAARO Cc1ccc(-c2ccc(C(=O)N[C@H]3COC4(C3)CC[NH2+]CC4)cc2)o1 ZINC000952978380 1284954829 /nfs/dbraw/zinc/95/48/29/1284954829.db2.gz XOSBIKZAZISTEB-QGZVFWFLSA-N 1 0 340.423 2.896 50 0 EFAARO O=C(NCCOCc1ccccc1)c1ccc(C[NH+]2CCCC2)o1 ZINC000952978393 1284955410 /nfs/dbraw/zinc/95/54/10/1284955410.db2.gz BWYFXPZVBJMNQR-UHFFFAOYSA-N 1 0 328.412 2.822 50 0 EFAARO CCCN1C[C@@H]([NH2+]Cc2cc3ccc(SC)cc3[nH]c2=O)CC1=O ZINC000952978832 1284955533 /nfs/dbraw/zinc/95/55/33/1284955533.db2.gz YKJHWBSHCWRTPB-AWEZNQCLSA-N 1 0 345.468 2.763 50 0 EFAARO Cc1cccc(N2CCC([NH2+]Cc3c(CO)cnc(C)c3O)CC2)c1 ZINC000952991742 1284966956 /nfs/dbraw/zinc/96/69/56/1284966956.db2.gz UPUTXZNHBBBINL-UHFFFAOYSA-N 1 0 341.455 2.655 50 0 EFAARO OC[C@@H]1CCCN(CC[NH2+]Cc2ccc(-c3ccccn3)cc2)C1 ZINC000952982341 1284978531 /nfs/dbraw/zinc/97/85/31/1284978531.db2.gz OLWLPSAKXLNKLE-GOSISDBHSA-N 1 0 325.456 2.543 50 0 EFAARO CC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1nc(C)c(C)s1 ZINC000952982934 1284979135 /nfs/dbraw/zinc/97/91/35/1284979135.db2.gz NLPREWIZKUKFIT-OAHLLOKOSA-N 1 0 333.457 2.865 50 0 EFAARO CCCN1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CCC1=O ZINC000952986327 1284987648 /nfs/dbraw/zinc/98/76/48/1284987648.db2.gz GXCUCFMGNYWWRX-KRWDZBQOSA-N 1 0 343.471 2.870 50 0 EFAARO CC(=O)Nc1ccc2nc(C[NH2+]Cc3cccc(CO)c3)ccc2c1 ZINC000952988364 1284990215 /nfs/dbraw/zinc/99/02/15/1284990215.db2.gz IDIYFNMPRCAJNZ-UHFFFAOYSA-N 1 0 335.407 2.975 50 0 EFAARO CC[C@@H]1C=CC[N@@H+]1Cc1ccc(OCCCN2CCOCC2)cc1 ZINC000952988848 1284993124 /nfs/dbraw/zinc/99/31/24/1284993124.db2.gz LLYFLEVEGFVXFR-LJQANCHMSA-N 1 0 330.472 2.938 50 0 EFAARO COCCCN1CC2(CC1=O)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000095360178 1292075999 /nfs/dbraw/zinc/07/59/99/1292075999.db2.gz OZAWAOZKFZVLLE-UHFFFAOYSA-N 1 0 342.483 2.505 50 0 EFAARO CCCc1nc(C)cc(N2CCC([NH2+][C@@H](C)c3ccncn3)CC2)n1 ZINC000095511815 1292250765 /nfs/dbraw/zinc/25/07/65/1292250765.db2.gz TVCHSUXSHIYWTK-HNNXBMFYSA-N 1 0 340.475 2.847 50 0 EFAARO CCCc1cnc(C)nc1N1CCC([NH2+]Cc2c(C)n[nH]c2C)CC1 ZINC000095529205 1292260369 /nfs/dbraw/zinc/26/03/69/1292260369.db2.gz ONZIGMMXXJCENB-UHFFFAOYSA-N 1 0 342.491 2.836 50 0 EFAARO CC1CCC([C@H]([NH3+])[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000958527877 1292865594 /nfs/dbraw/zinc/86/55/94/1292865594.db2.gz IBYMSXZKVQMSJW-ZUBZBLCWSA-N 1 0 326.481 2.902 50 0 EFAARO COc1cc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc(OC)c1O ZINC000000188161 1301792031 /nfs/dbraw/zinc/79/20/31/1301792031.db2.gz BTSIXDFLURPMCN-SFHVURJKSA-N 1 0 345.395 2.662 50 0 EFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C(F)(F)F ZINC000000193459 1301864212 /nfs/dbraw/zinc/86/42/12/1301864212.db2.gz HVOOVSXVKZAOOO-UHFFFAOYSA-N 1 0 328.338 2.879 50 0 EFAARO Nc1ncc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)cn1 ZINC000012710416 1307064839 /nfs/dbraw/zinc/06/48/39/1307064839.db2.gz YJTIXLOZUYCCLO-UHFFFAOYSA-N 1 0 340.471 2.656 50 0 EFAARO CCC(CC)[N@@H+]1C[C@H]2OC(=O)N(CCc3ccc(OC)cc3)[C@H]2C1 ZINC000012714343 1307071780 /nfs/dbraw/zinc/07/17/80/1307071780.db2.gz FCQPAQROCGIMAP-ZWKOTPCHSA-N 1 0 332.444 2.931 50 0 EFAARO COCC[N@@H+]1CCC[C@]2(CCN(Cc3ccc(F)cc3OC)C2)C1 ZINC000012719097 1307074161 /nfs/dbraw/zinc/07/41/61/1307074161.db2.gz RIBTWEOLOHYTGT-IBGZPJMESA-N 1 0 336.451 2.769 50 0 EFAARO OCC[C@@H]1C[N@@H+](C2CCSCC2)CCN1Cc1cccs1 ZINC000019219043 1314404793 /nfs/dbraw/zinc/40/47/93/1314404793.db2.gz KHXMUJGLLBPLHQ-OAHLLOKOSA-N 1 0 326.531 2.512 50 0 EFAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCc1ccccc1)C(=O)N2C ZINC000014535673 1311158019 /nfs/dbraw/zinc/15/80/19/1311158019.db2.gz VJAJYSRSEUGXQH-MRXNPFEDSA-N 1 0 343.471 2.756 50 0 EFAARO CC(C)NC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000014971705 1311412398 /nfs/dbraw/zinc/41/23/98/1311412398.db2.gz JPCQSYKKXZXOEZ-LJQANCHMSA-N 1 0 343.515 2.888 50 0 EFAARO CSCCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000015066094 1311466646 /nfs/dbraw/zinc/46/66/46/1311466646.db2.gz RUBMQVVLEOBQKA-GOSISDBHSA-N 1 0 347.528 2.553 50 0 EFAARO O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)C1CCOCC1 ZINC000015079482 1311471182 /nfs/dbraw/zinc/47/11/82/1311471182.db2.gz YHVXKLLFVOZRLT-IBGZPJMESA-N 1 0 330.472 2.626 50 0 EFAARO O=C(N[C@H]1CC[N@H+](Cc2ccsc2)C1)c1ccc2nccnc2c1 ZINC001016200952 1312650699 /nfs/dbraw/zinc/65/06/99/1312650699.db2.gz AIGXNYCXELJGNO-HNNXBMFYSA-N 1 0 338.436 2.696 50 0 EFAARO Cc1cc(C)c(C[NH+]2CCC(Cn3cc(CO)nn3)CC2)cc1C ZINC000019852211 1314552457 /nfs/dbraw/zinc/55/24/57/1314552457.db2.gz FWUUMIRWFGMNDI-UHFFFAOYSA-N 1 0 328.460 2.608 50 0 EFAARO COc1cc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)ccc1F ZINC000039544067 1316015301 /nfs/dbraw/zinc/01/53/01/1316015301.db2.gz JGCMMOXIXCMVNF-QGZVFWFLSA-N 1 0 336.451 2.646 50 0 EFAARO Cc1cnn(CCC[N@H+]2CCC[C@@]3(C2)c2ccccc2N(C)C3=O)c1 ZINC000072148862 1316227427 /nfs/dbraw/zinc/22/74/27/1316227427.db2.gz QBRMXHVNWDMBEY-HXUWFJFHSA-N 1 0 338.455 2.592 50 0 EFAARO C[NH+](C)CCN(Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CCCO1 ZINC001423193756 1381551504 /nfs/dbraw/zinc/55/15/04/1381551504.db2.gz GICPZTIULOYRBX-AWEZNQCLSA-N 1 0 342.386 2.551 50 0 EFAARO C[NH+]1CCC(CNC(=O)c2ccc(F)c(O)c2)(c2ccccc2)CC1 ZINC001434237256 1387110826 /nfs/dbraw/zinc/11/08/26/1387110826.db2.gz LXOLVFFZMAYPPO-UHFFFAOYSA-N 1 0 342.414 2.925 50 0 EFAARO O=C1CC[C@H](N2CCC[N@@H+](C3CCCC3)CC2)CCN1CC1CC1 ZINC001506395883 1405749880 /nfs/dbraw/zinc/74/98/80/1405749880.db2.gz CAAKRWJYJWVMLM-IBGZPJMESA-N 1 0 333.520 2.728 50 0 EFAARO OC12C[C@@H]3C[C@H](C1)CC([NH2+]C1CCN(Cc4ccco4)CC1)(C3)C2 ZINC001506400269 1405751161 /nfs/dbraw/zinc/75/11/61/1405751161.db2.gz CKLHMOTZQQAVFQ-BANKROOTSA-N 1 0 330.472 2.917 50 0 EFAARO CO[C@@H](C[NH2+]C1CCN(C(=O)c2cccnc2)CC1)c1cccs1 ZINC001506406379 1405754022 /nfs/dbraw/zinc/75/40/22/1405754022.db2.gz JTXJWPDFUPCWNV-INIZCTEOSA-N 1 0 345.468 2.725 50 0 EFAARO Cc1cc(C)n(C[C@H](C)N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC001506406712 1405754254 /nfs/dbraw/zinc/75/42/54/1405754254.db2.gz NAPRLDCRSQPHKL-IBGZPJMESA-N 1 0 326.488 2.749 50 0 EFAARO COCc1cc(C[NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)[nH]n1 ZINC001506409939 1405756270 /nfs/dbraw/zinc/75/62/70/1405756270.db2.gz AXJPZVSLWQCBFJ-UHFFFAOYSA-N 1 0 336.386 2.593 50 0 EFAARO Cc1ccc(N2CCC([NH2+][C@@H]3CCC(=O)N(C)C3)CC2)cc1Cl ZINC001506411700 1405757196 /nfs/dbraw/zinc/75/71/96/1405757196.db2.gz KBVNSQNNVHAGLA-OAHLLOKOSA-N 1 0 335.879 2.828 50 0 EFAARO C[C@@H](C1CCN(Cc2nc(C(F)(F)F)no2)CC1)[NH+]1CCCC1 ZINC001506412810 1405758055 /nfs/dbraw/zinc/75/80/55/1405758055.db2.gz PAWRMUYGYIFHLS-NSHDSACASA-N 1 0 332.370 2.785 50 0 EFAARO Cc1cccnc1CN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001506415467 1405758607 /nfs/dbraw/zinc/75/86/07/1405758607.db2.gz CAOAXUNSVJXSEP-HXUWFJFHSA-N 1 0 336.483 2.787 50 0 EFAARO O=C(Cc1ccccc1)NC[C@H]1CCC[N@H+](CCCn2cccc2)C1 ZINC001506415614 1405759188 /nfs/dbraw/zinc/75/91/88/1405759188.db2.gz ZDRUXNFGFDLFBB-HXUWFJFHSA-N 1 0 339.483 2.949 50 0 EFAARO Cc1ccc(C2(O)CC[NH+]([C@H]3CCN(c4ccccc4)C3)CC2)nc1 ZINC001506417793 1405759846 /nfs/dbraw/zinc/75/98/46/1405759846.db2.gz LFQAGZUKABCSLQ-IBGZPJMESA-N 1 0 337.467 2.952 50 0 EFAARO CCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1Cl ZINC001506420029 1405761371 /nfs/dbraw/zinc/76/13/71/1405761371.db2.gz QWWIEJDHHLKGIB-MRXNPFEDSA-N 1 0 345.830 2.598 50 0 EFAARO CN1C[C@@]2(CCC[N@@H+](C3CCN(Cc4ccco4)CC3)CC2)OC1=O ZINC001506419550 1405761381 /nfs/dbraw/zinc/76/13/81/1405761381.db2.gz SEVLHXWCKQHUSG-IBGZPJMESA-N 1 0 347.459 2.551 50 0 EFAARO Cc1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(O)cc3)CC2)cc1 ZINC001506418945 1405761479 /nfs/dbraw/zinc/76/14/79/1405761479.db2.gz VMAXVLTYYWBZTL-FQEVSTJZSA-N 1 0 326.440 2.993 50 0 EFAARO c1ccc(N2CC[C@H]([NH+]3CCC(N4CCSCC4)CC3)C2)cc1 ZINC001506421937 1405762268 /nfs/dbraw/zinc/76/22/68/1405762268.db2.gz LMVBQXVFIXNSOR-IBGZPJMESA-N 1 0 331.529 2.779 50 0 EFAARO COCc1cc(C[NH2+]C2CCN(c3cccc(C)c3C)CC2)[nH]n1 ZINC001506424989 1405763169 /nfs/dbraw/zinc/76/31/69/1405763169.db2.gz AQEVEOSONWULPG-UHFFFAOYSA-N 1 0 328.460 2.932 50 0 EFAARO Cc1ncc2c(n1)[C@]1(CC2)CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001704298475 1417901334 /nfs/dbraw/zinc/90/13/34/1417901334.db2.gz HSQLLBHBCJCVND-KRWDZBQOSA-N 1 0 331.851 2.615 50 0 EFAARO COCC[NH+]1CCC(CN(C)c2ccc(-c3ccccc3)nn2)CC1 ZINC001704306656 1417902692 /nfs/dbraw/zinc/90/26/92/1417902692.db2.gz XOBDYVVMGSBGOI-UHFFFAOYSA-N 1 0 340.471 2.938 50 0 EFAARO Cc1cccc(C[N@H+]2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)n1 ZINC001704340133 1417911085 /nfs/dbraw/zinc/91/10/85/1417911085.db2.gz OJWWJPYZADQSFI-FQEVSTJZSA-N 1 0 337.471 2.726 50 0 EFAARO Cc1ccc(CCC(=O)N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)c(C)c1 ZINC001704338134 1417911187 /nfs/dbraw/zinc/91/11/87/1417911187.db2.gz MQHAMLSJFHFKTP-TZIWHRDSSA-N 1 0 344.499 2.541 50 0 EFAARO Cc1nc(CN(CCO)Cc2ccc(C[NH+]3CCCCC3)s2)c[nH]1 ZINC001704340237 1417911587 /nfs/dbraw/zinc/91/15/87/1417911587.db2.gz QQMISLOQISEDCH-UHFFFAOYSA-N 1 0 348.516 2.760 50 0 EFAARO c1ccc(N2CC[C@H]([NH2+]C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000153889326 1418260725 /nfs/dbraw/zinc/26/07/25/1418260725.db2.gz PFWRQAUACFQVAE-FQEVSTJZSA-N 1 0 336.483 2.915 50 0 EFAARO CCOC(=O)c1c(N)c2c(cc[nH+]c2N(C)C)n1Cc1ccccc1 ZINC000022147164 713853788 /nfs/dbraw/zinc/85/37/88/713853788.db2.gz FGURNNDMXLJDLL-UHFFFAOYSA-N 1 0 338.411 2.910 50 0 EFAARO O=c1cc(C[NH2+]C[C@H](O)c2ccc(F)cc2)[nH]c2c(F)cccc12 ZINC000091350642 714493497 /nfs/dbraw/zinc/49/34/97/714493497.db2.gz YUHKNEXNFBWQPN-KRWDZBQOSA-N 1 0 330.334 2.630 50 0 EFAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)cc2OC)C1 ZINC000022591472 714849822 /nfs/dbraw/zinc/84/98/22/714849822.db2.gz ZTHWQKUIIGODDC-INIZCTEOSA-N 1 0 334.460 2.784 50 0 EFAARO C[N@H+](CCCn1cccn1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000022918912 715443979 /nfs/dbraw/zinc/44/39/79/715443979.db2.gz CXOQZDLVSMJRCC-FQEVSTJZSA-N 1 0 326.488 2.912 50 0 EFAARO CCn1cc(C(=O)N2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)cn1 ZINC000012709710 715935253 /nfs/dbraw/zinc/93/52/53/715935253.db2.gz ZFYAINMJQDYKBQ-QGZVFWFLSA-N 1 0 332.492 2.733 50 0 EFAARO CCn1cc(C(=O)N2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)cn1 ZINC000012709714 715935948 /nfs/dbraw/zinc/93/59/48/715935948.db2.gz ZFYAINMJQDYKBQ-KRWDZBQOSA-N 1 0 332.492 2.733 50 0 EFAARO O=C(Cc1cccs1)N1CCC[N@H+](CCOc2ccccc2)CC1 ZINC000980629831 717503386 /nfs/dbraw/zinc/50/33/86/717503386.db2.gz HELWUGPNLNWZPT-UHFFFAOYSA-N 1 0 344.480 2.904 50 0 EFAARO C[NH+](C)CCCN1C(=O)CS[C@H]1c1ccc(Br)cc1 ZINC000000196403 718101735 /nfs/dbraw/zinc/10/17/35/718101735.db2.gz HSKHUWQBIRBHPO-AWEZNQCLSA-N 1 0 343.290 2.975 50 0 EFAARO Cc1nn(CCO)c(C)c1C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000305057608 724487791 /nfs/dbraw/zinc/48/77/91/724487791.db2.gz FORCNKAXYFPJCO-AWEZNQCLSA-N 1 0 339.443 2.529 50 0 EFAARO Cn1cc(CC[N@H+](C)[C@H]2CCC(=O)N(CC3CCCCC3)CC2)cn1 ZINC000023542273 718241425 /nfs/dbraw/zinc/24/14/25/718241425.db2.gz GZRAAULFMBNHIL-IBGZPJMESA-N 1 0 346.519 2.856 50 0 EFAARO O=C(c1cccc(F)c1F)N1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000981841351 719108145 /nfs/dbraw/zinc/10/81/45/719108145.db2.gz KXELPDHPMWHOSK-CQSZACIVSA-N 1 0 338.398 2.539 50 0 EFAARO CC(C)(C)C[N@@H+]1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1 ZINC000020209982 719446794 /nfs/dbraw/zinc/44/67/94/719446794.db2.gz ISGXGPPXSBZOEK-HNNXBMFYSA-N 1 0 326.431 2.880 50 0 EFAARO CCOc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000989591494 1106459899 /nfs/dbraw/zinc/45/98/99/1106459899.db2.gz XHJVAZGHWYMXKX-KRWDZBQOSA-N 1 0 346.471 2.660 50 0 EFAARO C[C@H](CCn1cccn1)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082092103 1109790463 /nfs/dbraw/zinc/79/04/63/1109790463.db2.gz DMRDCKDWIGJSBY-OAHLLOKOSA-N 1 0 339.443 2.561 50 0 EFAARO O=S(=O)(c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000004744336 210267230 /nfs/dbraw/zinc/26/72/30/210267230.db2.gz XUNNURQIBHKXKO-UHFFFAOYSA-N 1 0 342.892 2.979 50 0 EFAARO CC[NH+](CC)CCCNC(=O)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000051318183 214088661 /nfs/dbraw/zinc/08/86/61/214088661.db2.gz UIOIHFIFZPLLSZ-UHFFFAOYSA-N 1 0 349.866 2.691 50 0 EFAARO CN1CCN([C@H]2CC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)CC1 ZINC000097654208 219044131 /nfs/dbraw/zinc/04/41/31/219044131.db2.gz NGVGAAZIMVEXFW-IBGZPJMESA-N 1 0 343.515 2.830 50 0 EFAARO Cc1cc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)nc(N)[nH+]1 ZINC000052473602 214129828 /nfs/dbraw/zinc/12/98/28/214129828.db2.gz SYNHGPNSWYHZGG-UHFFFAOYSA-N 1 0 333.386 2.722 50 0 EFAARO O=C(CCc1ccncc1)NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000097681746 219047850 /nfs/dbraw/zinc/04/78/50/219047850.db2.gz HJOKWMMGHFWWDB-LJQANCHMSA-N 1 0 338.455 2.753 50 0 EFAARO Cc1nc(-c2cccc(N3CCOCC3)c2)n(-c2cc[nH+]c(C)c2)n1 ZINC000097696178 219048455 /nfs/dbraw/zinc/04/84/55/219048455.db2.gz QDTXDBZOORWWLJ-UHFFFAOYSA-N 1 0 335.411 2.783 50 0 EFAARO Cc1cc2oc(=O)cc(C[NH+]3CCC4(CC3)OCCO4)c2cc1C ZINC000054219984 214224923 /nfs/dbraw/zinc/22/49/23/214224923.db2.gz SAYVKPLXTRBCMA-UHFFFAOYSA-N 1 0 329.396 2.749 50 0 biogenic EFAARO CC[NH+](CC)CCCNS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000054362921 214234336 /nfs/dbraw/zinc/23/43/36/214234336.db2.gz AQQLTNKRPASSMB-UHFFFAOYSA-N 1 0 326.506 2.930 50 0 EFAARO c1nnc2c3ccccc3c(N3CC[NH+](Cc4ccccc4)CC3)nn12 ZINC000054317468 214230483 /nfs/dbraw/zinc/23/04/83/214230483.db2.gz GIPWJEFVQWUCTQ-UHFFFAOYSA-N 1 0 344.422 2.600 50 0 EFAARO C[NH+](C)CCN(Cc1ccsc1)Cc1cccn1-c1ncccn1 ZINC000055074617 214269219 /nfs/dbraw/zinc/26/92/19/214269219.db2.gz QMNXJKVWJZSNMC-UHFFFAOYSA-N 1 0 341.484 2.893 50 0 EFAARO CC[N@@H+]1CCN(C(=O)CCC(=O)Nc2cc(C)ccc2F)CC1(C)C ZINC000055100214 214273616 /nfs/dbraw/zinc/27/36/16/214273616.db2.gz QVTTYXWGPQSYCB-UHFFFAOYSA-N 1 0 349.450 2.796 50 0 EFAARO Cc1nc2c(nc(C)nc2N(C)Cc2ccccc2C[NH+](C)C)o1 ZINC000055120053 214276418 /nfs/dbraw/zinc/27/64/18/214276418.db2.gz AYIJZRHXNAVHMB-UHFFFAOYSA-N 1 0 325.416 2.933 50 0 EFAARO C[C@]12CC3CC(C(=O)NCC[NH+]4CCC(CO)CC4)(C1)C[C@@](C)(C3)C2 ZINC000055132523 214278186 /nfs/dbraw/zinc/27/81/86/214278186.db2.gz CBDYBIWZPFNYQM-DLIHROTGSA-N 1 0 348.531 2.804 50 0 EFAARO Cc1c(C[NH2+][C@@H](C)CCCC(C)(C)O)c2ccccc2n1CC(N)=O ZINC000055154327 214279865 /nfs/dbraw/zinc/27/98/65/214279865.db2.gz ULYGMNJRZWXEIZ-AWEZNQCLSA-N 1 0 345.487 2.854 50 0 EFAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)CC(=O)Nc1ccc(C)cc1 ZINC000055197976 214287032 /nfs/dbraw/zinc/28/70/32/214287032.db2.gz GWHHURRBKYAKGJ-MRXNPFEDSA-N 1 0 333.476 2.950 50 0 EFAARO CC[C@H](C)Oc1ccc(C[NH+]2CCC(NC(C)=O)CC2)cc1OC ZINC000055197615 214287467 /nfs/dbraw/zinc/28/74/67/214287467.db2.gz DUQHCWKJUOHADM-AWEZNQCLSA-N 1 0 334.460 2.973 50 0 EFAARO CN(C)c1ccc(CCNC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000097757991 219055029 /nfs/dbraw/zinc/05/50/29/219055029.db2.gz VYPHXPKKOQGZKU-RTBURBONSA-N 1 0 329.488 2.676 50 0 EFAARO COCC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000055211522 214289962 /nfs/dbraw/zinc/28/99/62/214289962.db2.gz MCJHOWRURJUMCW-KRWDZBQOSA-N 1 0 333.407 2.843 50 0 EFAARO CCC[NH+](CCC)Cc1ccc(C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000055255958 214296452 /nfs/dbraw/zinc/29/64/52/214296452.db2.gz RWZFXRZIYZQMJW-SFHVURJKSA-N 1 0 345.487 2.707 50 0 EFAARO CC[C@H](C)Oc1ccc(C[NH2+]CCN2CCNC2=O)cc1Cl ZINC000055227173 214292821 /nfs/dbraw/zinc/29/28/21/214292821.db2.gz UGTBGCOZZDVBKI-LBPRGKRZSA-N 1 0 325.840 2.632 50 0 EFAARO Cc1cnc(CNC(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)cn1 ZINC000097766563 219055225 /nfs/dbraw/zinc/05/52/25/219055225.db2.gz ZGINXGCYBUIPTH-AWEZNQCLSA-N 1 0 328.416 2.855 50 0 EFAARO CC(C)c1nc(CCN(C)C(=O)CC[NH+]2CCCCCCC2)no1 ZINC000055244853 214293831 /nfs/dbraw/zinc/29/38/31/214293831.db2.gz PNPXVSUDNKUMDF-UHFFFAOYSA-N 1 0 336.480 2.850 50 0 EFAARO CCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(-n2cnnc2)c1 ZINC000055283163 214301983 /nfs/dbraw/zinc/30/19/83/214301983.db2.gz RXBQQGIXANFGLI-UHFFFAOYSA-N 1 0 341.459 2.605 50 0 EFAARO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000004688591 210247917 /nfs/dbraw/zinc/24/79/17/210247917.db2.gz UBPPJXPGUGGWRD-KHYOSLBOSA-N 1 0 344.455 2.650 50 0 EFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(C)ccc2OC)C1 ZINC000004685699 210247973 /nfs/dbraw/zinc/24/79/73/210247973.db2.gz MXBRIHIXJIKSHK-OAHLLOKOSA-N 1 0 348.443 2.607 50 0 EFAARO Cc1ccc(NC(=O)CC(=O)N(C)CC[NH+]2CCCCCC2)c(C)c1 ZINC000055569090 214330324 /nfs/dbraw/zinc/33/03/24/214330324.db2.gz QNOYUHJYDHTOMA-UHFFFAOYSA-N 1 0 345.487 2.966 50 0 EFAARO CC(C)=CC[NH+]1CCC2(CC[C@@H](CNC(=O)c3ncoc3C)O2)CC1 ZINC000097776114 219056887 /nfs/dbraw/zinc/05/68/87/219056887.db2.gz SLYSJIOTOPMBFP-INIZCTEOSA-N 1 0 347.459 2.693 50 0 EFAARO COc1cccc(C(=O)N2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1OC ZINC000004688594 210247545 /nfs/dbraw/zinc/24/75/45/210247545.db2.gz YJANRONIWZZKHJ-UXLLHSPISA-N 1 0 344.455 2.650 50 0 EFAARO CN(C(=O)c1nn(C)c2c1CCCC2)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097797586 219057824 /nfs/dbraw/zinc/05/78/24/219057824.db2.gz JGOCXKKAGIBXHC-SFHVURJKSA-N 1 0 340.471 2.674 50 0 EFAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)Cc2cccc(C)c2)CC1 ZINC000098211945 219087479 /nfs/dbraw/zinc/08/74/79/219087479.db2.gz OOWNWNJBFLRHNT-UHFFFAOYSA-N 1 0 341.455 2.923 50 0 EFAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000065435279 214908822 /nfs/dbraw/zinc/90/88/22/214908822.db2.gz ZRNYACPLGQQYBD-CQSZACIVSA-N 1 0 339.439 2.694 50 0 EFAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000004163111 210134813 /nfs/dbraw/zinc/13/48/13/210134813.db2.gz YNINIGHUDCXZKW-CQSZACIVSA-N 1 0 329.444 2.977 50 0 EFAARO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccnn1C ZINC000065528427 214947595 /nfs/dbraw/zinc/94/75/95/214947595.db2.gz CWPCKQSPKKFFNH-QGZVFWFLSA-N 1 0 326.444 2.766 50 0 EFAARO CC(C)c1noc([C@@H]2CCCN2C(=O)CC2=CSC3=NCCN23)n1 ZINC000101955140 219175437 /nfs/dbraw/zinc/17/54/37/219175437.db2.gz UYGDIZZAOGQPIP-LBPRGKRZSA-N 1 0 347.444 2.506 50 0 EFAARO O[C@H](C[NH+]1CCC(c2cc(-c3ccco3)n[nH]2)CC1)C(F)(F)F ZINC000004025221 210100985 /nfs/dbraw/zinc/10/09/85/210100985.db2.gz SCHOMSDDNHJGIO-CQSZACIVSA-N 1 0 329.322 2.772 50 0 EFAARO CC(C)OC(=O)c1cc2c(cccc2OC[C@@H](O)C[NH2+]C(C)(C)C)[nH]1 ZINC000003649831 210071555 /nfs/dbraw/zinc/07/15/55/210071555.db2.gz SJYFDORQYYEJLB-ZDUSSCGKSA-N 1 0 348.443 2.861 50 0 in-man EFAARO Clc1cc(Cl)c2c(c1)CN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC000067803124 282499350 /nfs/dbraw/zinc/49/93/50/282499350.db2.gz PVIIPGXLVQKSHZ-UHFFFAOYSA-N 1 0 335.238 2.992 50 0 EFAARO COc1ccccc1-n1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)cn1 ZINC000102479847 219207145 /nfs/dbraw/zinc/20/71/45/219207145.db2.gz CQFINBWCNOUDKZ-MNZLEMJZSA-N 1 0 327.428 2.738 50 0 EFAARO C[N@@H+]1CCCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 ZINC000067285032 215129776 /nfs/dbraw/zinc/12/97/76/215129776.db2.gz DJISRGCKVQSWLA-UHFFFAOYSA-N 1 0 325.391 2.677 50 0 EFAARO [NH3+]C1(C(=O)NCc2cccnc2Oc2ccc(F)cc2F)CCC1 ZINC000067458250 215148208 /nfs/dbraw/zinc/14/82/08/215148208.db2.gz BMPIVALYHHAUBL-UHFFFAOYSA-N 1 0 333.338 2.650 50 0 EFAARO O=C(Cc1cccc(F)c1F)NC[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000067458223 215148755 /nfs/dbraw/zinc/14/87/55/215148755.db2.gz ZXSKSDGSPLQMEL-ZDUSSCGKSA-N 1 0 334.366 2.739 50 0 EFAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3cccc(O)c3)cnn2c1 ZINC000067514648 215157697 /nfs/dbraw/zinc/15/76/97/215157697.db2.gz JTHAHAMMDVHXGF-UHFFFAOYSA-N 1 0 339.399 2.529 50 0 EFAARO CC(C)[N@@H+]1CCC[C@@H](CCNC(=O)Cc2noc3ccccc23)C1 ZINC000067542230 215159652 /nfs/dbraw/zinc/15/96/52/215159652.db2.gz WBDKNRVVKXZKDX-HNNXBMFYSA-N 1 0 329.444 2.997 50 0 EFAARO O=C(NC[C@H]1CC[N@H+](Cc2ccc3nonc3c2)C1)C1CCCCC1 ZINC000067673067 215176809 /nfs/dbraw/zinc/17/68/09/215176809.db2.gz FIOXQFWNOAZQSJ-OAHLLOKOSA-N 1 0 342.443 2.741 50 0 EFAARO O[C@H](Cc1ccccc1)C1CC[NH+](Cc2cnn3cccnc23)CC1 ZINC000067688372 215184717 /nfs/dbraw/zinc/18/47/17/215184717.db2.gz FXGDSFCYQZBPKS-LJQANCHMSA-N 1 0 336.439 2.545 50 0 EFAARO COc1ccc2c(c1)c(C(=O)NC[C@H]1CCC[N@H+](C)C1)c(C)n2C ZINC000067675883 215181266 /nfs/dbraw/zinc/18/12/66/215181266.db2.gz LKHANOSFEWESRR-CQSZACIVSA-N 1 0 329.444 2.567 50 0 EFAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3ccsc3)cnn2c1 ZINC000067676794 215182311 /nfs/dbraw/zinc/18/23/11/215182311.db2.gz HNWWDTQSUPODPU-UHFFFAOYSA-N 1 0 343.456 2.563 50 0 EFAARO C[N@@H+]1CCC=C(c2nc(CCNC(=O)c3cccs3)cs2)C1 ZINC000067678801 215183157 /nfs/dbraw/zinc/18/31/57/215183157.db2.gz QAHVNXHLEUHYBN-UHFFFAOYSA-N 1 0 333.482 2.896 50 0 EFAARO Cc1nnsc1C(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000067688559 215184359 /nfs/dbraw/zinc/18/43/59/215184359.db2.gz ZXPBVMMOUJKZAK-INIZCTEOSA-N 1 0 344.484 2.674 50 0 EFAARO Cc1cc(=O)oc2cc(C[N@@H+](C[C@H]3CCC(=O)N3)C(C)C)ccc12 ZINC000067679236 215184452 /nfs/dbraw/zinc/18/44/52/215184452.db2.gz LUCFADQGUAKRNN-OAHLLOKOSA-N 1 0 328.412 2.590 50 0 EFAARO CC[C@H]1CN(Cc2cnc(-c3ccccn3)nc2)CC[N@@H+]1C(C)C ZINC000067696437 215189236 /nfs/dbraw/zinc/18/92/36/215189236.db2.gz OLRISSYBLVFZJU-KRWDZBQOSA-N 1 0 325.460 2.843 50 0 EFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC000067697266 215189800 /nfs/dbraw/zinc/18/98/00/215189800.db2.gz GJWBMCIGBRKOBT-OAHLLOKOSA-N 1 0 326.444 2.927 50 0 EFAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H](C)c3ccco3)cnn2c1 ZINC000067713268 215190886 /nfs/dbraw/zinc/19/08/86/215190886.db2.gz CALHIGCVWDDODA-ZDUSSCGKSA-N 1 0 341.415 2.655 50 0 EFAARO CNC(=O)CC1CC[NH+](Cc2[nH]c3ccc(OC)cc3c2C)CC1 ZINC000067714662 215192660 /nfs/dbraw/zinc/19/26/60/215192660.db2.gz LELYHHXTDQPSKJ-UHFFFAOYSA-N 1 0 329.444 2.833 50 0 EFAARO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000067723475 215195007 /nfs/dbraw/zinc/19/50/07/215195007.db2.gz FKSCTCYFSOKJMN-QGZVFWFLSA-N 1 0 344.503 2.923 50 0 EFAARO Cc1nc2c(c(NCCOCc3ccc(Cl)cc3)n1)CC[NH2+]C2 ZINC000067692298 215187696 /nfs/dbraw/zinc/18/76/96/215187696.db2.gz GVDILYSEXCYNNC-UHFFFAOYSA-N 1 0 332.835 2.713 50 0 EFAARO O=C(NCC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1O ZINC000067692108 215188357 /nfs/dbraw/zinc/18/83/57/215188357.db2.gz OIIQSPASHJNYBU-INIZCTEOSA-N 1 0 339.439 2.819 50 0 EFAARO Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C3CCOCC3)C2)ccc1F ZINC000067740758 215199374 /nfs/dbraw/zinc/19/93/74/215199374.db2.gz YARHGCLMCPYFSF-KRWDZBQOSA-N 1 0 348.462 2.889 50 0 EFAARO COc1ccccc1-c1ncc(C[N@@H+]2CCC(=O)NC[C@@H]2C)s1 ZINC000067741608 215200734 /nfs/dbraw/zinc/20/07/34/215200734.db2.gz ZKRAWDKSXSIOTI-LBPRGKRZSA-N 1 0 331.441 2.529 50 0 EFAARO CCCCOC(=O)N1CCC2(CC1)CN(Cc1ccco1)CC[N@@H+]2C ZINC000067741649 215200767 /nfs/dbraw/zinc/20/07/67/215200767.db2.gz XOGXAVPQXNXLGX-UHFFFAOYSA-N 1 0 349.475 2.798 50 0 EFAARO CCN(CC)C(=O)c1ccc(-c2ccc(F)c3c2O[C@H](C[NH3+])C3)o1 ZINC000067741968 215201114 /nfs/dbraw/zinc/20/11/14/215201114.db2.gz QBTOKPUQURSRLQ-NSHDSACASA-N 1 0 332.375 2.830 50 0 EFAARO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1cccnc1)C1CC1)OCO3 ZINC000067757516 215204065 /nfs/dbraw/zinc/20/40/65/215204065.db2.gz XVSKIJCKKXFXGJ-UHFFFAOYSA-N 1 0 349.390 2.816 50 0 EFAARO COc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000067755957 215204662 /nfs/dbraw/zinc/20/46/62/215204662.db2.gz JVDKYHPBIZFUDJ-ZDUSSCGKSA-N 1 0 330.350 2.586 50 0 EFAARO Cc1ccc(C[N@H+]2CC[C@H](CNS(=O)(=O)C(C)C)C2)c(C)c1F ZINC000067757241 215204858 /nfs/dbraw/zinc/20/48/58/215204858.db2.gz PDIXTNFWHWNIMX-OAHLLOKOSA-N 1 0 342.480 2.592 50 0 EFAARO CC[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc(C)o2)CC[NH2+]1 ZINC000067774251 215209307 /nfs/dbraw/zinc/20/93/07/215209307.db2.gz RCGXZKOHLQNXBP-AWEZNQCLSA-N 1 0 341.411 2.664 50 0 EFAARO COc1ccc(O)cc1C[N@@H+]1CCC[C@@H](CNC(=O)C=C(C)C)C1 ZINC000067773617 215208811 /nfs/dbraw/zinc/20/88/11/215208811.db2.gz YGPAHCOEEORNJI-HNNXBMFYSA-N 1 0 332.444 2.695 50 0 EFAARO CNc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCC(F)(F)F)C2)cc1 ZINC000067783667 215210934 /nfs/dbraw/zinc/21/09/34/215210934.db2.gz MWORUYZEJLEOKC-LBPRGKRZSA-N 1 0 329.366 2.732 50 0 EFAARO Cc1ccc(-c2nc(CNC(=O)CCC[NH3+])[nH]c2-c2ccccn2)cc1 ZINC000067788333 215211714 /nfs/dbraw/zinc/21/17/14/215211714.db2.gz WZTWTRFEZCMGIZ-UHFFFAOYSA-N 1 0 349.438 2.802 50 0 EFAARO Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)c1 ZINC000067788678 215214270 /nfs/dbraw/zinc/21/42/70/215214270.db2.gz KZBRXWSPQBMIPJ-KRWDZBQOSA-N 1 0 339.439 2.738 50 0 EFAARO Cc1c(O)cccc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000067820697 215221678 /nfs/dbraw/zinc/22/16/78/215221678.db2.gz QWPQDMMIHDGZLF-MRXNPFEDSA-N 1 0 339.439 2.738 50 0 EFAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(COc3ccccc3)[nH]n2)C1 ZINC000067833618 215224197 /nfs/dbraw/zinc/22/41/97/215224197.db2.gz XXMUJUMVOXJQBI-MRXNPFEDSA-N 1 0 342.443 2.545 50 0 EFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCc2cn3ccccc3n2)C1 ZINC000067805954 215218452 /nfs/dbraw/zinc/21/84/52/215218452.db2.gz JRMMOJFDDPASOY-MRXNPFEDSA-N 1 0 328.460 2.504 50 0 EFAARO CC(C)[C@@](C)([NH3+])C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000067856806 215232695 /nfs/dbraw/zinc/23/26/95/215232695.db2.gz PTCDKURRKVCIFF-GOSISDBHSA-N 1 0 346.862 2.988 50 0 EFAARO CC(C)(C(=O)NC[C@@H]1CC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000067856779 215233625 /nfs/dbraw/zinc/23/36/25/215233625.db2.gz HHNFLJFLSJEVMA-SFHVURJKSA-N 1 0 337.467 2.998 50 0 EFAARO CCC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cc(C)ccc2F)C1=O ZINC000067867404 215234152 /nfs/dbraw/zinc/23/41/52/215234152.db2.gz WWOBVIPRXHRHBH-IBGZPJMESA-N 1 0 347.434 2.724 50 0 EFAARO COc1ccc(-c2nc(CN3C[C@@H](C)[NH2+]C[C@@H]3C)c(C)o2)c(F)c1 ZINC000067896057 215243946 /nfs/dbraw/zinc/24/39/46/215243946.db2.gz WWSXESIGNSSVTN-NEPJUHHUSA-N 1 0 333.407 2.980 50 0 EFAARO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc(F)cc3F)C2)on1 ZINC000067908895 215248887 /nfs/dbraw/zinc/24/88/87/215248887.db2.gz GFMAECOMYWZUGQ-GFCCVEGCSA-N 1 0 335.354 2.513 50 0 EFAARO Cc1nc2c(cccc2C(=O)NC[C@H]2CC[N@H+](Cc3ccco3)C2)[nH]1 ZINC000067921819 215251000 /nfs/dbraw/zinc/25/10/00/215251000.db2.gz HOUKIGIJRXAKRA-CQSZACIVSA-N 1 0 338.411 2.716 50 0 EFAARO O=C(Cc1ccccn1)NC[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000067934707 215252982 /nfs/dbraw/zinc/25/29/82/215252982.db2.gz GTVAWXJKAOJWKD-MRXNPFEDSA-N 1 0 341.430 2.792 50 0 EFAARO O=C(Cc1ccccn1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000067934708 215253423 /nfs/dbraw/zinc/25/34/23/215253423.db2.gz GTVAWXJKAOJWKD-INIZCTEOSA-N 1 0 341.430 2.792 50 0 EFAARO CCc1nc(C)ccc1OCC(=O)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067947668 215255461 /nfs/dbraw/zinc/25/54/61/215255461.db2.gz XYQMMVUOPQXDAV-UHFFFAOYSA-N 1 0 345.487 2.714 50 0 EFAARO COc1cc(-c2ccc(F)c3c2O[C@@H](C[NH3+])C3)cc(OC)c1OC ZINC000067966181 215262608 /nfs/dbraw/zinc/26/26/08/215262608.db2.gz HRLYNGWMRYSRDK-LLVKDONJSA-N 1 0 333.359 2.781 50 0 EFAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)n(-c3cccnc3)c2C)C1 ZINC000067974739 215264161 /nfs/dbraw/zinc/26/41/61/215264161.db2.gz DSHJCRGGSOZTFK-GOSISDBHSA-N 1 0 340.471 2.837 50 0 EFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccs3)CC2)C1 ZINC000067948027 215257672 /nfs/dbraw/zinc/25/76/72/215257672.db2.gz PIJKSBLZDTXCPG-OAHLLOKOSA-N 1 0 347.528 2.703 50 0 EFAARO COc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cccnc3)C2)ccc1C ZINC000067955994 215259504 /nfs/dbraw/zinc/25/95/04/215259504.db2.gz DDOTWEWVVDWJIZ-KRWDZBQOSA-N 1 0 339.439 2.651 50 0 EFAARO CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3sccc3C)C2)cn1 ZINC000067956204 215260773 /nfs/dbraw/zinc/26/07/73/215260773.db2.gz OVBUGLWCNSRLSV-CQSZACIVSA-N 1 0 332.473 2.525 50 0 EFAARO Cc1cccnc1C(=O)NC[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000067983008 215267026 /nfs/dbraw/zinc/26/70/26/215267026.db2.gz BVZMGKJCBKNKSL-HNNXBMFYSA-N 1 0 349.438 2.518 50 0 EFAARO CCC(CC)[NH2+]C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067983193 215267080 /nfs/dbraw/zinc/26/70/80/215267080.db2.gz AUGKPCULKZDZFW-GOSISDBHSA-N 1 0 340.414 2.597 50 0 EFAARO C[N@H+](CC[C@H]1CCCCO1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067983520 215267937 /nfs/dbraw/zinc/26/79/37/215267937.db2.gz OZFBJLYXNBKACY-OAHLLOKOSA-N 1 0 344.411 2.648 50 0 EFAARO O=C(c1ccc2nccn2c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000068276451 215296479 /nfs/dbraw/zinc/29/64/79/215296479.db2.gz HOWJMRPRHGKRRH-UHFFFAOYSA-N 1 0 340.452 2.744 50 0 EFAARO C[N@@H+]1[C@@H](CC(=O)c2ccccc2)C[C@H](O)[C@@H]1CC(=O)c1ccccc1 ZINC000068677303 215327098 /nfs/dbraw/zinc/32/70/98/215327098.db2.gz CHZLLIURHLNVQA-WFXMLNOXSA-N 1 0 337.419 2.966 50 0 EFAARO C[NH+]1CCC2(CC1)OCCN2C(=O)c1ccc(Cl)cc1Cl ZINC000013692234 282726258 /nfs/dbraw/zinc/72/62/58/282726258.db2.gz FDDQITPVPPTPDJ-UHFFFAOYSA-N 1 0 329.227 2.888 50 0 EFAARO C[N@@H+]1CCN(Cc2cccc(Oc3ccccc3)c2)C[C@H]1CCO ZINC000104376433 219380950 /nfs/dbraw/zinc/38/09/50/219380950.db2.gz QHQUVBBQQAHIMH-GOSISDBHSA-N 1 0 326.440 2.977 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2cn(C)c3ccccc23)C[C@H]1CCO ZINC000104469481 219388993 /nfs/dbraw/zinc/38/89/93/219388993.db2.gz KGGIVTRYUGCJES-GOSISDBHSA-N 1 0 329.488 2.703 50 0 EFAARO CC(=O)c1cc(CN2CC[N@@H+](CCC(C)C)[C@H](CCO)C2)cs1 ZINC000104492746 219389542 /nfs/dbraw/zinc/38/95/42/219389542.db2.gz IBUQYQIFGUTBPN-QGZVFWFLSA-N 1 0 338.517 2.865 50 0 EFAARO Cc1ccc([C@@H](CNC(=O)Cc2ccc(C)nc2)[NH+]2CCCC2)o1 ZINC000069377497 215393826 /nfs/dbraw/zinc/39/38/26/215393826.db2.gz AIICBGOQJOHKQY-QGZVFWFLSA-N 1 0 327.428 2.787 50 0 EFAARO Cc1nnc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000040526546 213336029 /nfs/dbraw/zinc/33/60/29/213336029.db2.gz HHGJNXLINFHQCO-UHFFFAOYSA-N 1 0 331.445 2.633 50 0 EFAARO Cc1noc(C)c1CCCNc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000039515274 213238644 /nfs/dbraw/zinc/23/86/44/213238644.db2.gz MWFDMCWYJRQKEB-UHFFFAOYSA-N 1 0 329.448 2.902 50 0 EFAARO Cc1cccc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)n1 ZINC000039490333 213237574 /nfs/dbraw/zinc/23/75/74/213237574.db2.gz FRKYZXMWWDODMG-HXUWFJFHSA-N 1 0 331.504 2.839 50 0 EFAARO C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1 ZINC000000536843 209653612 /nfs/dbraw/zinc/65/36/12/209653612.db2.gz JDRLXUYWTQUQSW-GOSISDBHSA-N 1 0 348.402 2.900 50 0 EFAARO Cc1nc(COc2ccccc2)sc1C(=O)NCCC[NH+](C)C ZINC000036107962 213069220 /nfs/dbraw/zinc/06/92/20/213069220.db2.gz DOZAEAZMCAGBFA-UHFFFAOYSA-N 1 0 333.457 2.712 50 0 EFAARO C[NH2+]C1(c2nnnn2-c2ccccc2OC)C2CC3CC(C2)CC1C3 ZINC000035615883 213042948 /nfs/dbraw/zinc/04/29/48/213042948.db2.gz SKEQCOWPJKWHHA-UHFFFAOYSA-N 1 0 339.443 2.542 50 0 EFAARO OCC(CO)[N@@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071762288 215817728 /nfs/dbraw/zinc/81/77/28/215817728.db2.gz GNMCWIKGWNQGTC-AWEZNQCLSA-N 1 0 331.378 2.703 50 0 EFAARO COc1ccc(-c2ccc(CNCC[NH2+]C[C@@H](C)O)o2)cc1Cl ZINC000032541290 212809453 /nfs/dbraw/zinc/80/94/53/212809453.db2.gz NBKHWQKNOOGAJO-GFCCVEGCSA-N 1 0 338.835 2.669 50 0 EFAARO c1cc([C@@H]2C[N@@H+](CC3CC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000072128311 216019809 /nfs/dbraw/zinc/01/98/09/216019809.db2.gz LMWHUBNZAXKEHD-PWIZWCRZSA-N 1 0 326.440 2.687 50 0 EFAARO Cc1ncsc1CCN(C)C(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000072120703 216013443 /nfs/dbraw/zinc/01/34/43/216013443.db2.gz VITZNAYTCOFSQR-UHFFFAOYSA-N 1 0 343.496 2.552 50 0 EFAARO Cc1nc2c(cnn2C)c(NCC2CC[NH+](C3CCCC3)CC2)n1 ZINC000072122562 216015053 /nfs/dbraw/zinc/01/50/53/216015053.db2.gz NENZUESVAXVSIU-UHFFFAOYSA-N 1 0 328.464 2.738 50 0 EFAARO CCc1noc(CN(CCc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000072121718 216015587 /nfs/dbraw/zinc/01/55/87/216015587.db2.gz ITAANDCYUONUKE-UHFFFAOYSA-N 1 0 328.460 2.771 50 0 EFAARO Cc1cncc(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000072126667 216018373 /nfs/dbraw/zinc/01/83/73/216018373.db2.gz SVZXTKVBDZUIPM-HXUWFJFHSA-N 1 0 335.451 2.705 50 0 EFAARO COc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000072129601 216020312 /nfs/dbraw/zinc/02/03/12/216020312.db2.gz QZCIAQJOFRTHKD-INIZCTEOSA-N 1 0 346.471 2.658 50 0 EFAARO Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)CC2)n1 ZINC000072137357 216025124 /nfs/dbraw/zinc/02/51/24/216025124.db2.gz YVXJNHPWBYYPSL-SFHVURJKSA-N 1 0 342.399 2.510 50 0 EFAARO CCOC(=O)CCC[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072140066 216025725 /nfs/dbraw/zinc/02/57/25/216025725.db2.gz HRNKQLAHCXFDHD-CEWLAPEOSA-N 1 0 342.483 2.892 50 0 EFAARO O=C(C[C@@H]1COCC[NH2+]1)Nc1ccc(SCc2ccco2)cc1 ZINC000072139001 216026072 /nfs/dbraw/zinc/02/60/72/216026072.db2.gz ASZBLMWMLGJAGS-CQSZACIVSA-N 1 0 332.425 2.889 50 0 EFAARO c1ccc(-c2nc3c(c(NCCc4cccnc4)n2)CC[NH2+]C3)cc1 ZINC000072143199 216028498 /nfs/dbraw/zinc/02/84/98/216028498.db2.gz WJROQIUBZLXKTG-UHFFFAOYSA-N 1 0 331.423 2.839 50 0 EFAARO CCCc1nc2c(cnn2C)c(N(C)CC[NH+]2CCCCCC2)n1 ZINC000072143218 216029342 /nfs/dbraw/zinc/02/93/42/216029342.db2.gz RDVFAOBIWOZYGU-UHFFFAOYSA-N 1 0 330.480 2.628 50 0 EFAARO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)cn1 ZINC000072144746 216030150 /nfs/dbraw/zinc/03/01/50/216030150.db2.gz AHZNWGVLOMRAQT-GOSISDBHSA-N 1 0 326.444 2.724 50 0 EFAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ncccc2O)C1 ZINC000072145445 216031755 /nfs/dbraw/zinc/03/17/55/216031755.db2.gz DCAZEMDSMOZSDT-QGZVFWFLSA-N 1 0 339.439 2.566 50 0 EFAARO O=C(NC[C@@H]1C[NH2+]CCOC1)Nc1ccccc1Oc1ccccc1 ZINC000072145610 216031789 /nfs/dbraw/zinc/03/17/89/216031789.db2.gz YBEADYHNJJFYKV-HNNXBMFYSA-N 1 0 341.411 2.836 50 0 EFAARO Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)c12 ZINC000072145301 216032851 /nfs/dbraw/zinc/03/28/51/216032851.db2.gz FPWUHNAALQPHQF-CQSZACIVSA-N 1 0 342.443 2.965 50 0 EFAARO CC(C)Cc1cc(CNC(=O)c2ccccc2[C@H]2CC[NH2+]C2)no1 ZINC000072149757 216038128 /nfs/dbraw/zinc/03/81/28/216038128.db2.gz BDNSJGOMLJIUTJ-AWEZNQCLSA-N 1 0 327.428 2.880 50 0 EFAARO Cc1nc([C@@H]2CCC[N@H+](Cc3nc4ccccc4nc3C)C2)cc(=O)[nH]1 ZINC000072147954 216035873 /nfs/dbraw/zinc/03/58/73/216035873.db2.gz CTELFHDDYIBAEC-OAHLLOKOSA-N 1 0 349.438 2.710 50 0 EFAARO CC(C)=CC[N@@H+]1CCC[C@@](O)(CNC(=O)Cc2ccccc2)CC1 ZINC000072149345 216036481 /nfs/dbraw/zinc/03/64/81/216036481.db2.gz MTYIAIBJKXABNG-FQEVSTJZSA-N 1 0 330.472 2.529 50 0 EFAARO CC(C)[C@@H]1CN(C(=O)C2(Cn3cccn3)CC2)CCC[N@@H+]1CC1CC1 ZINC000072148764 216036699 /nfs/dbraw/zinc/03/66/99/216036699.db2.gz WOLBRBIOWWOZNW-SFHVURJKSA-N 1 0 344.503 2.632 50 0 EFAARO Cc1cc[nH+]c(NCCNc2nc(C(C)(C)C)nc3c2cnn3C)c1 ZINC000072149511 216037221 /nfs/dbraw/zinc/03/72/21/216037221.db2.gz XQRWQAPYUOWCDZ-UHFFFAOYSA-N 1 0 339.447 2.888 50 0 EFAARO O=C(c1ccncc1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072162445 216049889 /nfs/dbraw/zinc/04/98/89/216049889.db2.gz RYXXPKYJIVPZKK-VAMGGRTRSA-N 1 0 333.435 2.784 50 0 EFAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)N2CCOCC2)cc1 ZINC000072153896 216042539 /nfs/dbraw/zinc/04/25/39/216042539.db2.gz BWAMYJIKJXQJPL-GOSISDBHSA-N 1 0 331.460 2.727 50 0 EFAARO Cc1cc(C(=O)NC[C@@]2(O)CCC[NH2+]CC2)sc1-c1ccccc1 ZINC000072157512 216046990 /nfs/dbraw/zinc/04/69/90/216046990.db2.gz SVGXTCMGCBOGKR-LJQANCHMSA-N 1 0 344.480 2.958 50 0 EFAARO CC[C@@H]1CN(c2nc(C(C)(C)C)nc3c2cnn3C)CC[N@@H+]1C(C)C ZINC000072157171 216047029 /nfs/dbraw/zinc/04/70/29/216047029.db2.gz BMRIQDSCSLECCI-CQSZACIVSA-N 1 0 344.507 2.970 50 0 EFAARO CC(=O)c1c(C)cc(C)c(CN2CCOC[C@@H](C[NH+](C)C)C2)c1C ZINC000072166364 216054969 /nfs/dbraw/zinc/05/49/69/216054969.db2.gz YFKLYJZNRVEFBF-SFHVURJKSA-N 1 0 332.488 2.824 50 0 EFAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000031773296 212747820 /nfs/dbraw/zinc/74/78/20/212747820.db2.gz AKZGASCQLNXZEW-HNNXBMFYSA-N 1 0 330.359 2.587 50 0 EFAARO CC(C)(C)C[N@@H+]1CC[C@@H](C2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000072166037 216056178 /nfs/dbraw/zinc/05/61/78/216056178.db2.gz AALSHPFPAUOQAD-MRXNPFEDSA-N 1 0 344.503 2.765 50 0 EFAARO Cn1ncc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)c1C1CC1 ZINC000072167406 216057213 /nfs/dbraw/zinc/05/72/13/216057213.db2.gz SDPHGLQTTBLBBE-GOSISDBHSA-N 1 0 326.444 2.874 50 0 EFAARO CC[NH+](CC)Cc1cccc(NS(=O)(=O)NCc2ccccc2)c1 ZINC000072169518 216060606 /nfs/dbraw/zinc/06/06/06/216060606.db2.gz HZCUPKRVPGLUBT-UHFFFAOYSA-N 1 0 347.484 2.975 50 0 EFAARO c1cc([C@H]2C[N@@H+](CC3CC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000072168866 216061127 /nfs/dbraw/zinc/06/11/27/216061127.db2.gz LMWHUBNZAXKEHD-NSISKUIASA-N 1 0 326.440 2.687 50 0 EFAARO CN(C(=O)c1cnn2c1CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072171487 216062751 /nfs/dbraw/zinc/06/27/51/216062751.db2.gz OYDIPWSIFCHZBH-QGZVFWFLSA-N 1 0 338.455 2.566 50 0 EFAARO Cc1nc2ccccn2c1C[NH+]1CCC(c2cc(=O)[nH]c(C)n2)CC1 ZINC000072172861 216064119 /nfs/dbraw/zinc/06/41/19/216064119.db2.gz SXGYPCSACVKTAR-UHFFFAOYSA-N 1 0 337.427 2.826 50 0 EFAARO COCC1(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)CCC1 ZINC000072172859 216064133 /nfs/dbraw/zinc/06/41/33/216064133.db2.gz YJJPBUSIZLIOSO-LJQANCHMSA-N 1 0 342.483 2.505 50 0 EFAARO CCN1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)CCCc2ccccc2)CC1 ZINC000072167900 216059040 /nfs/dbraw/zinc/05/90/40/216059040.db2.gz JGVHKQNKMAOQGI-UXHICEINSA-N 1 0 343.515 2.730 50 0 EFAARO Fc1ccc(CC[C@H]2CCC[N@H+](CCCn3cnnn3)C2)cc1F ZINC000072167947 216059168 /nfs/dbraw/zinc/05/91/68/216059168.db2.gz KMQJTFDEWCVLOG-OAHLLOKOSA-N 1 0 335.402 2.686 50 0 EFAARO O=C(CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCc2sccc2C1 ZINC000072272751 216095873 /nfs/dbraw/zinc/09/58/73/216095873.db2.gz BSGBJKUTWXQXQM-CQSZACIVSA-N 1 0 344.484 2.626 50 0 EFAARO [NH3+]CC1CCC(c2c3ccccc3sc2C(=O)NCCO)CC1 ZINC000072345875 216158989 /nfs/dbraw/zinc/15/89/89/216158989.db2.gz KRYVBMWOOVNXBM-UHFFFAOYSA-N 1 0 332.469 2.856 50 0 EFAARO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCCC[NH2+]1 ZINC000072343476 216159566 /nfs/dbraw/zinc/15/95/66/216159566.db2.gz QXDNLSCHEQDUIZ-ZDUSSCGKSA-N 1 0 332.469 2.698 50 0 EFAARO C[C@@H](Cn1cccn1)Nc1nc(C2CCCC2)nc2c1CC[NH2+]CC2 ZINC000072409383 216200864 /nfs/dbraw/zinc/20/08/64/216200864.db2.gz UGZGSNIERRACOB-AWEZNQCLSA-N 1 0 340.475 2.520 50 0 EFAARO Cc1nn2c(nc(C)cc2NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000072407461 216197609 /nfs/dbraw/zinc/19/76/09/216197609.db2.gz QTSPFTHMGGJJQP-KRWDZBQOSA-N 1 0 343.475 2.710 50 0 EFAARO CC(C)CCN1CC2(CC[NH+]([C@@H](C)Cn3cccn3)CC2)OC1=O ZINC000072406882 216197681 /nfs/dbraw/zinc/19/76/81/216197681.db2.gz IRJKONOXEVFHPH-INIZCTEOSA-N 1 0 334.464 2.605 50 0 EFAARO CC(C)CCN1CC2(CC[NH+]([C@H](C)Cn3cccn3)CC2)OC1=O ZINC000072406883 216198850 /nfs/dbraw/zinc/19/88/50/216198850.db2.gz IRJKONOXEVFHPH-MRXNPFEDSA-N 1 0 334.464 2.605 50 0 EFAARO Cc1c(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cnn1C ZINC000072408279 216199217 /nfs/dbraw/zinc/19/92/17/216199217.db2.gz JGVCWNKPILFKRY-UHFFFAOYSA-N 1 0 328.504 2.815 50 0 EFAARO CCC[C@@H](C)N1CC2(CC[NH+](Cc3cccnc3N)CC2)OC1=O ZINC000072410981 216202349 /nfs/dbraw/zinc/20/23/49/216202349.db2.gz PTSQNYPGQSELID-CQSZACIVSA-N 1 0 332.448 2.639 50 0 EFAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072423673 216213018 /nfs/dbraw/zinc/21/30/18/216213018.db2.gz QXLISAMHBOQZGA-MRXNPFEDSA-N 1 0 332.488 2.852 50 0 EFAARO C[C@@H](Cn1cccn1)Nc1nc(-c2ccccc2)nc2c1CC[NH2+]CC2 ZINC000072420067 216208537 /nfs/dbraw/zinc/20/85/37/216208537.db2.gz OOXQONBCPAUVCY-HNNXBMFYSA-N 1 0 348.454 2.529 50 0 EFAARO Cc1nc2c(c(N[C@@H](C)C3CC3)n1)CC[N@H+](Cc1ccncc1)CC2 ZINC000072420056 216209096 /nfs/dbraw/zinc/20/90/96/216209096.db2.gz SAUPEDIUVFBKLK-AWEZNQCLSA-N 1 0 337.471 2.991 50 0 EFAARO Nc1nc(CCC(=O)N[C@H]2CC[C@H]2[NH2+]C2CCCCCC2)cs1 ZINC000072425995 216215772 /nfs/dbraw/zinc/21/57/72/216215772.db2.gz BEVSHZVZDREAGR-CABCVRRESA-N 1 0 336.505 2.618 50 0 EFAARO O=C1CC2(CN1Cc1ccccc1)CC[NH+](C1CCOCC1)CC2 ZINC000072425560 216216596 /nfs/dbraw/zinc/21/65/96/216216596.db2.gz BSMXIWRYLBABJX-UHFFFAOYSA-N 1 0 328.456 2.680 50 0 EFAARO COCCCN1C[C@@]2(CCCN(c3cc[nH+]cc3C)C2)CCC1=O ZINC000072427904 216219046 /nfs/dbraw/zinc/21/90/46/216219046.db2.gz RUEJJBAAIFIFGU-IBGZPJMESA-N 1 0 331.460 2.636 50 0 EFAARO Cc1cccc(N2CCC([N@@H+]3CCC[C@]4(CNC(=O)O4)C3)CC2)c1C ZINC000072426895 216217882 /nfs/dbraw/zinc/21/78/82/216217882.db2.gz ZPKMFFVFCKNKAE-FQEVSTJZSA-N 1 0 343.471 2.847 50 0 EFAARO CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2cccc(C)c2)n1 ZINC000072434097 216229490 /nfs/dbraw/zinc/22/94/90/216229490.db2.gz VYNNNWAKZBRZFA-UHFFFAOYSA-N 1 0 328.420 2.759 50 0 EFAARO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(c2ncc[nH]2)CC1 ZINC000072432116 216225425 /nfs/dbraw/zinc/22/54/25/216225425.db2.gz LOKPJCNRFQOCCU-SFHVURJKSA-N 1 0 338.455 2.780 50 0 EFAARO 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2.778 50 0 EFAARO Cc1ccc(CN2CC[N@H+](Cc3ccccc3C)C[C@@H]2CCO)o1 ZINC000023153335 212356638 /nfs/dbraw/zinc/35/66/38/212356638.db2.gz QBKLPOSQEITNNA-IBGZPJMESA-N 1 0 328.456 2.965 50 0 EFAARO CCCOc1cccc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]cn3)C2)c1 ZINC000023158268 212357174 /nfs/dbraw/zinc/35/71/74/212357174.db2.gz WMBAXXXNBAHDDL-INIZCTEOSA-N 1 0 327.428 2.938 50 0 EFAARO COc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000023105623 212347611 /nfs/dbraw/zinc/34/76/11/212347611.db2.gz GSBAVAJAWYZFCW-OAHLLOKOSA-N 1 0 334.441 2.555 50 0 EFAARO COc1cc(CN2CC[NH+](CC3CCC3)CC2)cc(OC)c1OC ZINC000023095257 212346243 /nfs/dbraw/zinc/34/62/43/212346243.db2.gz WMYTYIHLWFNUOT-UHFFFAOYSA-N 1 0 334.460 2.630 50 0 EFAARO Cc1nn(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C)c1C ZINC000216004330 240231198 /nfs/dbraw/zinc/23/11/98/240231198.db2.gz RDSSGCGWGBMUGO-MRXNPFEDSA-N 1 0 346.500 2.651 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3cccs3)C2=O)cc1 ZINC000022118529 212277978 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Cc1cc(C)n(-c2cccc(C[N@H+]3CC[C@]4(CN(C)C(=O)O4)C3)c2)n1 ZINC000215839600 241149298 /nfs/dbraw/zinc/14/92/98/241149298.db2.gz QMCXQEGIPXLCQG-IBGZPJMESA-N 1 0 340.427 2.516 50 0 EFAARO O=C(NCC[C@@H]1COc2ccccc2O1)C1([NH+]2CCCC2)CCCC1 ZINC000216059332 241160839 /nfs/dbraw/zinc/16/08/39/241160839.db2.gz GYDSXSXMODUOTL-MRXNPFEDSA-N 1 0 344.455 2.741 50 0 EFAARO c1cc(-c2ccc(CN3CC[NH+](C4CCSCC4)CC3)o2)n[nH]1 ZINC000216109485 241163507 /nfs/dbraw/zinc/16/35/07/241163507.db2.gz MHPIUDAYHOYWKT-UHFFFAOYSA-N 1 0 332.473 2.683 50 0 EFAARO O=C(C[C@@H]1C[NH2+]CCO1)NCCc1ccccc1Oc1ccccc1 ZINC000216141374 241167539 /nfs/dbraw/zinc/16/75/39/241167539.db2.gz BWFGUNMGAILXIY-GOSISDBHSA-N 1 0 340.423 2.516 50 0 EFAARO c1cnn(C[C@@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)s3)CCCO2)c1 ZINC000216171822 241171896 /nfs/dbraw/zinc/17/18/96/241171896.db2.gz RYCKNDBUJJAZKK-AWEZNQCLSA-N 1 0 343.456 2.626 50 0 EFAARO CN(Cc1ccccc1OCCO)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000216474484 241194284 /nfs/dbraw/zinc/19/42/84/241194284.db2.gz 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241267160 /nfs/dbraw/zinc/26/71/60/241267160.db2.gz NNBLBDKIWKJPBU-CQSZACIVSA-N 1 0 340.826 2.806 50 0 EFAARO Nc1nc(CCNC(=O)C2([NH+]3CCCCC3)CCCCC2)cs1 ZINC000218928729 241352717 /nfs/dbraw/zinc/35/27/17/241352717.db2.gz ASEAKPMVXKVFGR-UHFFFAOYSA-N 1 0 336.505 2.573 50 0 EFAARO Fc1ccc2cnc(N3CCC([NH2+][C@H]4C[C@@H]5OCC[C@H]45)CC3)nc2c1 ZINC000222774933 241558214 /nfs/dbraw/zinc/55/82/14/241558214.db2.gz BJAGFVJTBJUKHV-NJAFHUGGSA-N 1 0 342.418 2.505 50 0 EFAARO C[C@H]1OCC[C@@]1(O)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000228053023 242137459 /nfs/dbraw/zinc/13/74/59/242137459.db2.gz FQLGNPFXDKBPJA-MLVVQWTHSA-N 1 0 340.261 2.825 50 0 EFAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(=O)[nH]c2ccccc21 ZINC000230069206 242227575 /nfs/dbraw/zinc/22/75/75/242227575.db2.gz JJMJOHPGKFUBRV-KSSFIOAISA-N 1 0 339.439 2.935 50 0 EFAARO Cc1ccc(Br)cc1OCCCN1CC[NH+](C)CC1 ZINC000230533295 242262151 /nfs/dbraw/zinc/26/21/51/242262151.db2.gz MREVULVJJRFCLN-UHFFFAOYSA-N 1 0 327.266 2.774 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2cccc3ncccc23)C[C@@H]1CCO ZINC000020916815 212188571 /nfs/dbraw/zinc/18/85/71/212188571.db2.gz UCOBSXWEMFIBQM-SFHVURJKSA-N 1 0 327.472 2.759 50 0 EFAARO COCc1ccc(CN2CCC[C@@H]([N@H+](C)CCc3ccccn3)C2)o1 ZINC000020908816 212185630 /nfs/dbraw/zinc/18/56/30/212185630.db2.gz UCIBBXYOWYQOIB-GOSISDBHSA-N 1 0 343.471 2.960 50 0 EFAARO C[N@H+](CCC1(O)CCCC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000244700999 243061106 /nfs/dbraw/zinc/06/11/06/243061106.db2.gz JYCVJCKBXFBJCG-HXUWFJFHSA-N 1 0 346.515 2.905 50 0 EFAARO CN1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2c2cccc(F)c2)CC1 ZINC000244620024 243044574 /nfs/dbraw/zinc/04/45/74/243044574.db2.gz FKMHGSYVVNNIQY-SFHVURJKSA-N 1 0 333.451 2.517 50 0 EFAARO O=C(CC[N@H+]1CC[C@@](O)(c2ccccc2)C1)NC1CCCCCC1 ZINC000244605540 243045213 /nfs/dbraw/zinc/04/52/13/243045213.db2.gz FAMMQLWDOMRRHH-FQEVSTJZSA-N 1 0 330.472 2.809 50 0 EFAARO CN1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2c2cccc(F)c2)CC1 ZINC000244620023 243045310 /nfs/dbraw/zinc/04/53/10/243045310.db2.gz FKMHGSYVVNNIQY-GOSISDBHSA-N 1 0 333.451 2.517 50 0 EFAARO O[C@@H]1C[N@H+](CCCc2ccco2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000244690939 243056752 /nfs/dbraw/zinc/05/67/52/243056752.db2.gz IZTWQZCKTINKAK-DLBZAZTESA-N 1 0 329.396 2.791 50 0 EFAARO Nc1nc(N2CCC3(C=Cc4ccccc43)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244719026 243067393 /nfs/dbraw/zinc/06/73/93/243067393.db2.gz LVKSVFBTJOMTAQ-IYBDPMFKSA-N 1 0 348.450 2.862 50 0 EFAARO CSCc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000244678663 243057411 /nfs/dbraw/zinc/05/74/11/243057411.db2.gz IHSOPRGODZSNRJ-UHFFFAOYSA-N 1 0 338.473 2.516 50 0 EFAARO COCCn1cncc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000244774195 243078202 /nfs/dbraw/zinc/07/82/02/243078202.db2.gz PPLSFHSKIHTOSD-UHFFFAOYSA-N 1 0 329.444 2.711 50 0 EFAARO Cc1c(CNC(=O)CC[C@H](C)[NH+]2CCOCC2)oc2ccccc12 ZINC000244723747 243070740 /nfs/dbraw/zinc/07/07/40/243070740.db2.gz MGRMYPHKOXZJDX-AWEZNQCLSA-N 1 0 330.428 2.858 50 0 EFAARO Cc1ccc2nccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3CO)c2c1 ZINC000244742058 243072007 /nfs/dbraw/zinc/07/20/07/243072007.db2.gz OBFRIKSFPKRPAI-INIZCTEOSA-N 1 0 341.455 2.510 50 0 EFAARO COc1ccc(CN2CC[N@@H+](C3CCC3)C[C@@H]2CCO)c(C)c1C ZINC000020598871 212150677 /nfs/dbraw/zinc/15/06/77/212150677.db2.gz XDPHBKOALKJHGT-IBGZPJMESA-N 1 0 332.488 2.733 50 0 EFAARO COc1ccccc1/C=C/CN1CCC[C@H]([NH+]2CCC(CO)CC2)C1 ZINC000020540507 212145560 /nfs/dbraw/zinc/14/55/60/212145560.db2.gz UYTVVYRBWSRGFO-PDGUBNMISA-N 1 0 344.499 2.877 50 0 EFAARO CC(=O)c1cccc(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)c1 ZINC000020542136 212145379 /nfs/dbraw/zinc/14/53/79/212145379.db2.gz IBWQLOBZOAWKNQ-FQEVSTJZSA-N 1 0 332.488 2.804 50 0 EFAARO COCc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)o1 ZINC000020514331 212142807 /nfs/dbraw/zinc/14/28/07/212142807.db2.gz PKCZISMXKBUIQN-KRWDZBQOSA-N 1 0 336.476 2.627 50 0 EFAARO C[NH+](C)CCCNC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 ZINC000252510418 243841372 /nfs/dbraw/zinc/84/13/72/243841372.db2.gz ZJTHVAICZJIWDB-UHFFFAOYSA-N 1 0 342.226 2.929 50 0 EFAARO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)c1ccccc1 ZINC000242498469 299395630 /nfs/dbraw/zinc/39/56/30/299395630.db2.gz HGOOISFRTZCVFQ-BHYGNILZSA-N 1 0 334.460 2.955 50 0 EFAARO COc1ccc(Br)cc1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000020477028 212135685 /nfs/dbraw/zinc/13/56/85/212135685.db2.gz NXASDFLYNRFRPQ-CQSZACIVSA-N 1 0 325.250 2.642 50 0 EFAARO Cc1cc(Cl)cc(Br)c1OCC[NH2+]CCN(C)C ZINC000020418761 212126661 /nfs/dbraw/zinc/12/66/61/212126661.db2.gz SQJOXEUGDQYCFM-UHFFFAOYSA-N 1 0 335.673 2.941 50 0 EFAARO COc1ccc(CN2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000020291842 212116974 /nfs/dbraw/zinc/11/69/74/212116974.db2.gz YODNBRNXOMARSA-HZPDHXFCSA-N 1 0 348.487 2.777 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2ccc3cc(F)ccc3n2)C[C@@H]1CCO ZINC000020203602 212111239 /nfs/dbraw/zinc/11/12/39/212111239.db2.gz OEMNORAJYIFWQC-IBGZPJMESA-N 1 0 345.462 2.899 50 0 EFAARO c1csc(COc2ccc(C[NH2+]CCN3CCOCC3)cc2)c1 ZINC000020018545 212093456 /nfs/dbraw/zinc/09/34/56/212093456.db2.gz CDRPFPWZCUMKDJ-UHFFFAOYSA-N 1 0 332.469 2.749 50 0 EFAARO CC(C)OC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019938640 212087135 /nfs/dbraw/zinc/08/71/35/212087135.db2.gz UIQBPHNUADVYKC-MRXNPFEDSA-N 1 0 346.393 2.613 50 0 EFAARO COc1cc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc(OC)c1O ZINC000019913671 212083303 /nfs/dbraw/zinc/08/33/03/212083303.db2.gz KCMVERJEDVOOLT-INIZCTEOSA-N 1 0 346.471 2.883 50 0 EFAARO Cc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@H]1CCn1cccn1 ZINC000077391671 216892354 /nfs/dbraw/zinc/89/23/54/216892354.db2.gz PRBOYQODQVQCLC-IBGZPJMESA-N 1 0 340.471 2.753 50 0 EFAARO Cc1noc(C)c1CCC(=O)N1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000077424838 216902554 /nfs/dbraw/zinc/90/25/54/216902554.db2.gz XNMPRIYIRUCMMF-UHFFFAOYSA-N 1 0 342.443 2.585 50 0 EFAARO c1ccc(COc2ccccc2C[NH2+]CCN2CCOCC2)cc1 ZINC000019872118 212077320 /nfs/dbraw/zinc/07/73/20/212077320.db2.gz UHYKTGDYTCVOGJ-UHFFFAOYSA-N 1 0 326.440 2.687 50 0 EFAARO CN(C)c1nc(Cl)c(CN2CCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000019853191 212076743 /nfs/dbraw/zinc/07/67/43/212076743.db2.gz NFJUMPWYOVKCTM-LBPRGKRZSA-N 1 0 328.913 2.923 50 0 EFAARO Fc1ccccc1COc1cccc(C[NH2+]CCN2CCOCC2)c1 ZINC000019872031 212077989 /nfs/dbraw/zinc/07/79/89/212077989.db2.gz AQZZJYQARJTWAJ-UHFFFAOYSA-N 1 0 344.430 2.827 50 0 EFAARO CC(C)c1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000019872413 212077720 /nfs/dbraw/zinc/07/77/20/212077720.db2.gz KZCCLPUIWIEFAE-UHFFFAOYSA-N 1 0 332.469 2.790 50 0 EFAARO C[C@H]1C[NH+](CCC(=O)Nc2ccc(Br)cc2)C[C@H](C)O1 ZINC000019841361 212073710 /nfs/dbraw/zinc/07/37/10/212073710.db2.gz LDZNUSPFEHIING-RYUDHWBXSA-N 1 0 341.249 2.887 50 0 EFAARO C[C@H]1CCC[N@H+](CCC(=O)N(C)Cc2cccc(-n3cccn3)c2)C1 ZINC000019837667 212074381 /nfs/dbraw/zinc/07/43/81/212074381.db2.gz ZWBSTPVRUBWSGO-KRWDZBQOSA-N 1 0 340.471 2.953 50 0 EFAARO CN1CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC000019791201 212068095 /nfs/dbraw/zinc/06/80/95/212068095.db2.gz KVFMJTVBRNAMBH-UHFFFAOYSA-N 1 0 327.266 2.856 50 0 EFAARO OCC[C@@H]1CN(Cc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000019790870 212067549 /nfs/dbraw/zinc/06/75/49/212067549.db2.gz OPHSZOGWZKRANY-LJQANCHMSA-N 1 0 328.431 2.895 50 0 EFAARO Cc1ncc2c(c1-c1noc([C@H]3Cc4ccccc4O3)n1)CC[NH2+]C2 ZINC000019788498 212066990 /nfs/dbraw/zinc/06/69/90/212066990.db2.gz UBGXPPBHSRNQIB-MRXNPFEDSA-N 1 0 334.379 2.762 50 0 EFAARO O=C1C[C@H]([NH2+]CCc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 ZINC000019782453 212066440 /nfs/dbraw/zinc/06/64/40/212066440.db2.gz WWNGBTPOBHQWOV-INIZCTEOSA-N 1 0 346.789 2.943 50 0 EFAARO COc1ccccc1CN1CC[N@H+](Cc2cccs2)[C@@H](CCO)C1 ZINC000019771414 212063459 /nfs/dbraw/zinc/06/34/59/212063459.db2.gz ZROCGUGVUSBMIB-KRWDZBQOSA-N 1 0 346.496 2.826 50 0 EFAARO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000019772731 212064354 /nfs/dbraw/zinc/06/43/54/212064354.db2.gz AUXMGDFJIRXPGJ-HXUWFJFHSA-N 1 0 340.467 2.865 50 0 EFAARO O[C@@H](COCc1ccccc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019720430 212056897 /nfs/dbraw/zinc/05/68/97/212056897.db2.gz YYYAPPYXGCPAPW-HXUWFJFHSA-N 1 0 344.430 2.525 50 0 EFAARO CC[NH+]1CCN(Cc2cc(OC)c(OC)cc2Br)CC1 ZINC000019609124 212051422 /nfs/dbraw/zinc/05/14/22/212051422.db2.gz NPJIGTSWJRKSFN-UHFFFAOYSA-N 1 0 343.265 2.604 50 0 EFAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCCc3ccccc3)C2=O)cc1 ZINC000019556285 212042403 /nfs/dbraw/zinc/04/24/03/212042403.db2.gz HLFBVZFDKIDWRX-GOSISDBHSA-N 1 0 338.407 2.550 50 0 EFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH+]3CCCC3)C2=O)cc1 ZINC000015065998 211795020 /nfs/dbraw/zinc/79/50/20/211795020.db2.gz MWZNUQLFWPLCCO-FQEVSTJZSA-N 1 0 330.472 2.759 50 0 EFAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 ZINC000014732246 211757667 /nfs/dbraw/zinc/75/76/67/211757667.db2.gz BXCZAXMRASFFDS-OAHLLOKOSA-N 1 0 329.444 2.714 50 0 EFAARO CC(C)CC[NH2+][C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000014541678 211745008 /nfs/dbraw/zinc/74/50/08/211745008.db2.gz IPDUXYRDEZDAPM-HNNXBMFYSA-N 1 0 332.492 2.539 50 0 EFAARO Cc1ccc(OC2CCN(C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[NH3+])CC2)cc1 ZINC000082135160 217474810 /nfs/dbraw/zinc/47/48/10/217474810.db2.gz RCVNTCWTYMEMTM-OHQAAIJDSA-N 1 0 328.456 2.738 50 0 EFAARO O=C([C@@H]1CCC[NH2+]1)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000067472705 284470292 /nfs/dbraw/zinc/47/02/92/284470292.db2.gz LRZMFGKBQCHZRF-AWEZNQCLSA-N 1 0 331.803 2.632 50 0 EFAARO O=S(=O)(Cc1ccccc1Cl)NCCC[NH+]1CCCCC1 ZINC000013673076 211603352 /nfs/dbraw/zinc/60/33/52/211603352.db2.gz GFCGOELLCZVFJZ-UHFFFAOYSA-N 1 0 330.881 2.635 50 0 EFAARO CCc1ccccc1-c1cccc(C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000426382884 247272661 /nfs/dbraw/zinc/27/26/61/247272661.db2.gz HKZZMQHZGVYXHF-GOSISDBHSA-N 1 0 326.440 2.568 50 0 EFAARO CSc1cccc(CNC(=O)c2cc(C)ccc2OCC[NH3+])c1 ZINC000426491057 247286644 /nfs/dbraw/zinc/28/66/44/247286644.db2.gz OLUQDWIACNYXCG-UHFFFAOYSA-N 1 0 330.453 2.984 50 0 EFAARO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CC(n2cccn2)C1 ZINC000426571573 247291708 /nfs/dbraw/zinc/29/17/08/247291708.db2.gz HDTAGSLMDPRWTH-UHFFFAOYSA-N 1 0 338.455 2.956 50 0 EFAARO CO[C@]12CC[N@H+](Cc3ccc(OC(F)F)cc3)[C@H]1C[C@H](O)CC2 ZINC000426563077 247291774 /nfs/dbraw/zinc/29/17/74/247291774.db2.gz AYWWTEIEODSLGX-UKPHBRMFSA-N 1 0 327.371 2.792 50 0 EFAARO CCN(Cc1cnn(CC)c1)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000426563475 247292846 /nfs/dbraw/zinc/29/28/46/247292846.db2.gz PGIRVPQISHLYKF-UHFFFAOYSA-N 1 0 349.523 2.945 50 0 EFAARO Cc1cccc([C@@H](NC(=O)Cc2ccc(OCC[NH3+])cc2)C2CC2)n1 ZINC000426737335 247294357 /nfs/dbraw/zinc/29/43/57/247294357.db2.gz DTBFBYAGJQYBMB-FQEVSTJZSA-N 1 0 339.439 2.538 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cnn(C)c3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426379739 247270590 /nfs/dbraw/zinc/27/05/90/247270590.db2.gz NEVOJUDQVKTIKV-GBESFXJTSA-N 1 0 333.476 2.667 50 0 EFAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccncc2)C1)c1ccc(F)cc1 ZINC000012448775 211387185 /nfs/dbraw/zinc/38/71/85/211387185.db2.gz KUJCSMNDMFWZFZ-MRXNPFEDSA-N 1 0 327.403 2.863 50 0 EFAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3ccccc3Cl)C2)C1=O ZINC000012443111 211384794 /nfs/dbraw/zinc/38/47/94/211384794.db2.gz WITOTSNCCXCZML-SFHVURJKSA-N 1 0 336.863 2.801 50 0 EFAARO Cc1cc(S(=O)(=O)NCC2CC[NH+](C(C)C)CC2)ccc1F ZINC000012441458 211383366 /nfs/dbraw/zinc/38/33/66/211383366.db2.gz KEWAFTRKFJJLBG-UHFFFAOYSA-N 1 0 328.453 2.533 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1OC ZINC000012440582 211382784 /nfs/dbraw/zinc/38/27/84/211382784.db2.gz PNPNKQHUUSAIRM-HNNXBMFYSA-N 1 0 346.471 2.975 50 0 EFAARO C[C@@H]1CCC[N@H+](C[C@@H](O)COCCOc2ccc(Cl)cc2)C1 ZINC000012377671 211360690 /nfs/dbraw/zinc/36/06/90/211360690.db2.gz MYBQEMJOUOSTPB-GDBMZVCRSA-N 1 0 327.852 2.828 50 0 EFAARO CCOC(=O)c1cc(C[NH2+]CCc2c[nH]c3ccc(C)cc23)on1 ZINC000012410839 211372112 /nfs/dbraw/zinc/37/21/12/211372112.db2.gz BARSEPSVGVQJMY-UHFFFAOYSA-N 1 0 327.384 2.973 50 0 EFAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](CC2CC2)CC1 ZINC000012386343 211365428 /nfs/dbraw/zinc/36/54/28/211365428.db2.gz WVHKUCQBMQFNCO-UHFFFAOYSA-N 1 0 344.455 2.841 50 0 EFAARO COc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000012380415 211362127 /nfs/dbraw/zinc/36/21/27/211362127.db2.gz PGSDMBNJOAQBGD-INIZCTEOSA-N 1 0 346.471 2.939 50 0 EFAARO Cc1cccc(C[NH2+][C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)n1 ZINC000012318717 211345316 /nfs/dbraw/zinc/34/53/16/211345316.db2.gz OUYZTHRHZRFNTC-SFHVURJKSA-N 1 0 343.858 2.977 50 0 EFAARO O=C(CCc1ccccn1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012307537 211342248 /nfs/dbraw/zinc/34/22/48/211342248.db2.gz XBFWRTNPEDWDPU-HXUWFJFHSA-N 1 0 337.467 2.838 50 0 EFAARO O=C(CCc1ccccn1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012307538 211342301 /nfs/dbraw/zinc/34/23/01/211342301.db2.gz XBFWRTNPEDWDPU-FQEVSTJZSA-N 1 0 337.467 2.838 50 0 EFAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000012196091 211317878 /nfs/dbraw/zinc/31/78/78/211317878.db2.gz PMNHSSLNOYYEBG-HNNXBMFYSA-N 1 0 330.359 2.587 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)CCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000012196283 211316713 /nfs/dbraw/zinc/31/67/13/211316713.db2.gz AXIXQOWHZPSKMT-QGZVFWFLSA-N 1 0 340.423 2.767 50 0 biogenic EFAARO CC(C)CCC(=O)N1CCOc2ccc([C@](C)(O)C[NH+](C)C)cc2C1 ZINC000012201803 211319448 /nfs/dbraw/zinc/31/94/48/211319448.db2.gz MIYGESWTSZEVIS-HXUWFJFHSA-N 1 0 348.487 2.613 50 0 EFAARO CCC(CC)C[N@@H+]1CCC[C@H](n2cc(C(=O)N(CC)CC)nn2)C1 ZINC000012149171 211307815 /nfs/dbraw/zinc/30/78/15/211307815.db2.gz BDKWQFJHQBCLEP-INIZCTEOSA-N 1 0 335.496 2.833 50 0 EFAARO CCC(CC)C[N@@H+]1CCC[C@@H](n2cc(C(=O)N(CC)CC)nn2)C1 ZINC000012149170 211307894 /nfs/dbraw/zinc/30/78/94/211307894.db2.gz BDKWQFJHQBCLEP-MRXNPFEDSA-N 1 0 335.496 2.833 50 0 EFAARO COc1ccccc1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012072598 211286631 /nfs/dbraw/zinc/28/66/31/211286631.db2.gz AEKPBAISPHYVJD-OAQYLSRUSA-N 1 0 342.483 2.962 50 0 EFAARO O=C1C[C@@H]([NH2+]Cc2cccc3c2OCO3)CN1C1CCCCCC1 ZINC000012053551 211285309 /nfs/dbraw/zinc/28/53/09/211285309.db2.gz MXCDFJFLRZGYBQ-OAHLLOKOSA-N 1 0 330.428 2.829 50 0 EFAARO O=C1C[C@H]([NH2+]Cc2cccc3c2OCO3)CN1C1CCCCCC1 ZINC000012053554 211284410 /nfs/dbraw/zinc/28/44/10/211284410.db2.gz MXCDFJFLRZGYBQ-HNNXBMFYSA-N 1 0 330.428 2.829 50 0 EFAARO O=C(C[NH+]1CCCCC1)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000012051616 211283093 /nfs/dbraw/zinc/28/30/93/211283093.db2.gz LGKJMVRWPHFNEE-SFHVURJKSA-N 1 0 349.906 2.907 50 0 EFAARO COCC(=O)NC[C@@H](C)Oc1ccc(C[N@H+](C)C2CCCCC2)cc1 ZINC000011881648 211264166 /nfs/dbraw/zinc/26/41/66/211264166.db2.gz VFBHOXASFDKWMM-MRXNPFEDSA-N 1 0 348.487 2.981 50 0 EFAARO COCC(=O)NC[C@H](C)Oc1ccc(C[N@H+](C)C2CCCCC2)cc1 ZINC000011881649 211264000 /nfs/dbraw/zinc/26/40/00/211264000.db2.gz VFBHOXASFDKWMM-INIZCTEOSA-N 1 0 348.487 2.981 50 0 EFAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C3CCC3)CC2)c1 ZINC000011934150 211271478 /nfs/dbraw/zinc/27/14/78/211271478.db2.gz FWFBFJQFGKKZGT-UHFFFAOYSA-N 1 0 344.455 2.983 50 0 EFAARO Nc1ncccc1CN1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091474032 218010716 /nfs/dbraw/zinc/01/07/16/218010716.db2.gz JLSABERPGIFSCH-OXQOHEQNSA-N 1 0 348.494 2.727 50 0 EFAARO CC(C)N1CCC[C@@]2(CC[N@H+](Cc3nc(-c4ccco4)no3)C2)C1=O ZINC000091486980 218013452 /nfs/dbraw/zinc/01/34/52/218013452.db2.gz ZENRRGMRVGMSAJ-SFHVURJKSA-N 1 0 344.415 2.553 50 0 EFAARO COCCN1CCC[C@]2(CC[N@H+](Cc3ccc(C)c(C)c3)C2)C1=O ZINC000011879452 211262615 /nfs/dbraw/zinc/26/26/15/211262615.db2.gz OWNRPURDFSSVPP-HXUWFJFHSA-N 1 0 330.472 2.764 50 0 EFAARO CCCc1cnc(C)nc1N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091518742 218016676 /nfs/dbraw/zinc/01/66/76/218016676.db2.gz IWXBOJODXFWOKJ-RTBURBONSA-N 1 0 346.519 2.658 50 0 EFAARO CCc1noc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000091526305 218017413 /nfs/dbraw/zinc/01/74/13/218017413.db2.gz OZSKSKSZHSDTQX-LJQANCHMSA-N 1 0 346.475 2.779 50 0 EFAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccoc1)CC2 ZINC000091526744 218017683 /nfs/dbraw/zinc/01/76/83/218017683.db2.gz MSHVTLIWTPUXHL-UHFFFAOYSA-N 1 0 342.443 2.648 50 0 EFAARO CSC[C@@H]1CCC[N@H+](Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)C1 ZINC000091547812 218020102 /nfs/dbraw/zinc/02/01/02/218020102.db2.gz CYBHJWBJXVIYJA-GFCCVEGCSA-N 1 0 345.468 2.614 50 0 EFAARO c1cn([C@@H]2C[C@H]2c2ccccc2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091587113 218026451 /nfs/dbraw/zinc/02/64/51/218026451.db2.gz AFFDWTRPKXQHGX-FUHWJXTLSA-N 1 0 334.427 2.795 50 0 EFAARO COc1ccc(CCCC(=O)N2C[C@H]([NH+](C)C)[C@@H](C3CC3)C2)cc1 ZINC000091593542 218027897 /nfs/dbraw/zinc/02/78/97/218027897.db2.gz RFWRHULNBWUFAH-MOPGFXCFSA-N 1 0 330.472 2.817 50 0 EFAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(CC[NH3+])c2)C[C@H]1C(=O)[O-] ZINC000091596136 218029115 /nfs/dbraw/zinc/02/91/15/218029115.db2.gz WEYDTDNDWJYROD-VQTJNVASSA-N 1 0 338.451 2.796 50 0 EFAARO CN(C(=O)C1CCOCC1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011840657 211254311 /nfs/dbraw/zinc/25/43/11/211254311.db2.gz PVRTVPJXZLXPKQ-HXUWFJFHSA-N 1 0 344.499 2.969 50 0 EFAARO CC(C)n1ccnc1C[N@@H+]1CC[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000091679432 218046622 /nfs/dbraw/zinc/04/66/22/218046622.db2.gz QWVQLDZAWFVDQB-IBGZPJMESA-N 1 0 330.476 2.689 50 0 EFAARO COc1cc(C)ccc1OCC[NH+]1CCC2(CCC(=O)N(C)C2)CC1 ZINC000091680429 218047064 /nfs/dbraw/zinc/04/70/64/218047064.db2.gz CHHBPQPDKZNTNE-UHFFFAOYSA-N 1 0 346.471 2.717 50 0 EFAARO O=C(c1ccncc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccsc2)C1 ZINC000091691478 218048294 /nfs/dbraw/zinc/04/82/94/218048294.db2.gz DEFCXYARYVVRHH-RHSMWYFYSA-N 1 0 327.453 2.880 50 0 EFAARO CCCc1cc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)[nH]n1 ZINC000091707089 218051558 /nfs/dbraw/zinc/05/15/58/218051558.db2.gz IXNXQPZARWHMNH-MRXNPFEDSA-N 1 0 340.471 2.890 50 0 EFAARO CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000091625539 218034792 /nfs/dbraw/zinc/03/47/92/218034792.db2.gz DBGDDDMGVBCFLH-KRWDZBQOSA-N 1 0 328.416 2.569 50 0 EFAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1 ZINC000091643720 218037112 /nfs/dbraw/zinc/03/71/12/218037112.db2.gz GNJDPNMXYKDHRG-KRWDZBQOSA-N 1 0 336.501 2.538 50 0 EFAARO Cc1nc2c(ncnc2NCC2([NH+]3CCOCC3)CCCCCC2)o1 ZINC000091644923 218038058 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CC(C)=CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000091781992 218065475 /nfs/dbraw/zinc/06/54/75/218065475.db2.gz RKPKYSMUXVXWNM-FQEVSTJZSA-N 1 0 333.472 2.989 50 0 EFAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1F ZINC000091933007 218090318 /nfs/dbraw/zinc/09/03/18/218090318.db2.gz XTPGVGUQBAMKRH-UHFFFAOYSA-N 1 0 348.462 2.721 50 0 EFAARO Cn1c2ccccc2nc1C[N@@H+]1CC[C@H](Cc2cccc(C(N)=O)c2)C1 ZINC000091943519 218092010 /nfs/dbraw/zinc/09/20/10/218092010.db2.gz XYVXLCUGBYGDBT-MRXNPFEDSA-N 1 0 348.450 2.737 50 0 EFAARO CC1(C)C[N@H+](CCC(=O)NCc2ccc(Cl)cc2)CC[C@]1(C)O ZINC000091942986 218092032 /nfs/dbraw/zinc/09/20/32/218092032.db2.gz FKPXDIBADXYUCU-SFHVURJKSA-N 1 0 338.879 2.829 50 0 EFAARO COc1ccccc1OC1CN(C(=O)CC[C@@H](C)[NH+]2CCCC2)C1 ZINC000091943588 218092137 /nfs/dbraw/zinc/09/21/37/218092137.db2.gz SKRLIDPBYHRPQA-OAHLLOKOSA-N 1 0 332.444 2.549 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(SC)cc1)C2 ZINC000091848232 218075483 /nfs/dbraw/zinc/07/54/83/218075483.db2.gz 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ZINC000092898945 218179950 /nfs/dbraw/zinc/17/99/50/218179950.db2.gz VOQUMVJBFJYXIF-UHFFFAOYSA-N 1 0 332.395 2.513 50 0 EFAARO COc1ccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009304958 211063531 /nfs/dbraw/zinc/06/35/31/211063531.db2.gz MHWLOLVVPOCUJB-QGZVFWFLSA-N 1 0 344.411 2.620 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(Cc2cccs2)CC1 ZINC000095353530 218287377 /nfs/dbraw/zinc/28/73/77/218287377.db2.gz CTLCBMVHFJLVGB-MRXNPFEDSA-N 1 0 335.517 2.657 50 0 EFAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCCc2nc3cc(F)ccc3[nH]2)C1 ZINC000095353489 218286617 /nfs/dbraw/zinc/28/66/17/218286617.db2.gz ISBTUSFCESFTFM-CQSZACIVSA-N 1 0 346.450 2.871 50 0 EFAARO CCCn1ncc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1C ZINC000095352676 218286732 /nfs/dbraw/zinc/28/67/32/218286732.db2.gz KSIDZEZJZJSCJL-QZTJIDSGSA-N 1 0 344.503 2.938 50 0 EFAARO O=C(NCCCNc1cccnc1)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095359890 218292984 /nfs/dbraw/zinc/29/29/84/218292984.db2.gz YLIDLSVDHMPHDC-SFHVURJKSA-N 1 0 338.455 2.781 50 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/nfs/dbraw/zinc/30/06/63/218300663.db2.gz ZRIUIBVKJLCZCX-INIZCTEOSA-N 1 0 341.459 2.697 50 0 EFAARO CCCCn1ccnc1[C@H]1CCCN(C(=O)CC[NH+]2CCCC2)C1 ZINC000095361853 218293946 /nfs/dbraw/zinc/29/39/46/218293946.db2.gz WMWJEZUHJIAQHA-KRWDZBQOSA-N 1 0 332.492 2.875 50 0 EFAARO O=C1NCCCc2nc([C@H]3CCC[N@H+](CCc4ccccc4)C3)[nH]c21 ZINC000095361513 218294417 /nfs/dbraw/zinc/29/44/17/218294417.db2.gz LTVWPQFNGGRMKB-INIZCTEOSA-N 1 0 338.455 2.508 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cnn(-c2cccc(F)c2)c1 ZINC000095363037 218294906 /nfs/dbraw/zinc/29/49/06/218294906.db2.gz SIQSLFPBFSISPF-QGZVFWFLSA-N 1 0 344.434 2.892 50 0 EFAARO Cc1nnc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[nH]1 ZINC000095362171 218295284 /nfs/dbraw/zinc/29/52/84/218295284.db2.gz DRMPEWSIWXKWJJ-CYBMUJFWSA-N 1 0 327.432 2.590 50 0 EFAARO COc1cccc([C@H]2CN(c3nc(C)nc4sccc43)C[C@@H]2[NH3+])c1 ZINC000095362201 218295584 /nfs/dbraw/zinc/29/55/84/218295584.db2.gz RZZLMXGZTHPZFC-CVEARBPZSA-N 1 0 340.452 2.939 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1nc(-c2ccccc2F)no1 ZINC000095364357 218297302 /nfs/dbraw/zinc/29/73/02/218297302.db2.gz MABNGYOZZMNBGX-ZDUSSCGKSA-N 1 0 346.406 2.756 50 0 EFAARO CCCCSc1nc(NCC2CCN(C(C)=O)CC2)cc(N)[nH+]1 ZINC000095363564 218297361 /nfs/dbraw/zinc/29/73/61/218297361.db2.gz JTTAWBBAZSVOAZ-UHFFFAOYSA-N 1 0 337.493 2.621 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCC(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 ZINC000095374386 218307239 /nfs/dbraw/zinc/30/72/39/218307239.db2.gz OEAHABLUFFAZHJ-KRWDZBQOSA-N 1 0 347.478 2.986 50 0 EFAARO C[N@@H+]1CCC[C@H](CCC(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 ZINC000095374385 218307331 /nfs/dbraw/zinc/30/73/31/218307331.db2.gz OEAHABLUFFAZHJ-QGZVFWFLSA-N 1 0 347.478 2.986 50 0 EFAARO CSCc1nc(CNC(=O)C2CC[NH+](C(C)C)CC2)cs1 ZINC000095375230 218307598 /nfs/dbraw/zinc/30/75/98/218307598.db2.gz HRQRRNUKEAKKTP-UHFFFAOYSA-N 1 0 327.519 2.743 50 0 EFAARO CCCc1cc(C[NH2+]C2CCN(c3nc(C)cc(C)n3)CC2)on1 ZINC000095376431 218308569 /nfs/dbraw/zinc/30/85/69/218308569.db2.gz 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218305338 /nfs/dbraw/zinc/30/53/38/218305338.db2.gz QQYCFBBNSKPXLU-QGZVFWFLSA-N 1 0 332.492 2.731 50 0 EFAARO NC(=O)c1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000095372194 218305617 /nfs/dbraw/zinc/30/56/17/218305617.db2.gz AEYHLZKLOFPLBK-PZJWPPBQSA-N 1 0 349.478 2.882 50 0 EFAARO Cc1cc(C)c2c(ncnc2NC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000095373285 218305812 /nfs/dbraw/zinc/30/58/12/218305812.db2.gz RDWZEGCAKHZMTM-UHFFFAOYSA-N 1 0 341.459 2.697 50 0 EFAARO Cc1ccc(CSc2nc(N)cc(N3CCC[C@@H]([NH3+])CC3)n2)cc1 ZINC000095377275 218309649 /nfs/dbraw/zinc/30/96/49/218309649.db2.gz QLKVVXVFVJWKMT-OAHLLOKOSA-N 1 0 343.500 2.977 50 0 EFAARO CC[N@@H+]1CCC[C@](C)(C(=O)N2CC(OCc3ccccc3F)C2)C1 ZINC000095376811 218310218 /nfs/dbraw/zinc/31/02/18/218310218.db2.gz YQMSALIEYDDAKW-IBGZPJMESA-N 1 0 334.435 2.675 50 0 EFAARO Cc1cnn(CCCNC(=O)C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000095381151 218313706 /nfs/dbraw/zinc/31/37/06/218313706.db2.gz ZMWXBBPNWUBFIX-UHFFFAOYSA-N 1 0 332.492 2.743 50 0 EFAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1cccc(O)c1)C2 ZINC000095380755 218313810 /nfs/dbraw/zinc/31/38/10/218313810.db2.gz IZFWTLPVSQGDRP-QZTJIDSGSA-N 1 0 328.456 2.824 50 0 EFAARO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095387454 218319798 /nfs/dbraw/zinc/31/97/98/218319798.db2.gz CZTUNMFQIQOTBU-MAUKXSAKSA-N 1 0 335.451 2.719 50 0 EFAARO Cc1cc2nc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)cn2c(C)c1 ZINC000095388647 218320894 /nfs/dbraw/zinc/32/08/94/218320894.db2.gz AYAKHUGHLJULLE-QGZVFWFLSA-N 1 0 328.460 2.832 50 0 EFAARO O=C(c1ncccc1O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095390307 218321519 /nfs/dbraw/zinc/32/15/19/218321519.db2.gz WLRNZJMORZEQHN-IAGOWNOFSA-N 1 0 337.423 2.524 50 0 EFAARO CC[NH+]1CCC(CC(=O)NCc2nc(C)cc(C(F)(F)F)n2)CC1 ZINC000095392156 218323322 /nfs/dbraw/zinc/32/33/22/218323322.db2.gz VNXHYSUCBDPKCK-UHFFFAOYSA-N 1 0 344.381 2.542 50 0 EFAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)c(C)o1 ZINC000095383507 218315774 /nfs/dbraw/zinc/31/57/74/218315774.db2.gz QHEFUMIBNYRHNI-DOTOQJQBSA-N 1 0 332.444 2.612 50 0 EFAARO COc1cccc(N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000095383440 218315826 /nfs/dbraw/zinc/31/58/26/218315826.db2.gz HNVXHGMQZLJHLJ-QGZVFWFLSA-N 1 0 345.487 2.608 50 0 EFAARO CC[NH+]1CCC(CC(=O)N2CCCC[C@H]2CCn2cccn2)CC1 ZINC000095383896 218316112 /nfs/dbraw/zinc/31/61/12/218316112.db2.gz WYNJFHVHBFLXND-SFHVURJKSA-N 1 0 332.492 2.776 50 0 EFAARO Cc1nccn1CCCNC(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095385378 218317172 /nfs/dbraw/zinc/31/71/72/218317172.db2.gz KYWSICLDAMYNRZ-UHFFFAOYSA-N 1 0 332.492 2.743 50 0 EFAARO CC(C)[N@@H+]1CC[C@@H](Cn2ncc(N(C)Cc3ccccc3)cc2=O)C1 ZINC000095384225 218317362 /nfs/dbraw/zinc/31/73/62/218317362.db2.gz PLIZWVFPJRJORQ-GOSISDBHSA-N 1 0 340.471 2.610 50 0 EFAARO Cc1nn(CCNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)c(C)c1C ZINC000095386587 218317775 /nfs/dbraw/zinc/31/77/75/218317775.db2.gz JGGIQUVDMPCTGM-LJQANCHMSA-N 1 0 340.471 2.705 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000095386455 218318479 /nfs/dbraw/zinc/31/84/79/218318479.db2.gz OXRVGBGDLCYOLO-AWEZNQCLSA-N 1 0 332.473 2.526 50 0 EFAARO O=C(NC[C@H](O)C[NH+]1CCCCCC1)Nc1ccc2scnc2c1 ZINC000096152925 218629714 /nfs/dbraw/zinc/62/97/14/218629714.db2.gz QBJCEDMPBMUDHO-AWEZNQCLSA-N 1 0 348.472 2.655 50 0 EFAARO Cc1ccc(Cn2nc(-c3ccccc3)nc2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000096161882 218637873 /nfs/dbraw/zinc/63/78/73/218637873.db2.gz NFKYTRCRLHBCKX-LJQANCHMSA-N 1 0 348.450 2.833 50 0 EFAARO Cc1cc(NC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)ccc1Cl ZINC000097334330 219012999 /nfs/dbraw/zinc/01/29/99/219012999.db2.gz KKSQQBNHLMEXDL-INIZCTEOSA-N 1 0 325.840 2.569 50 0 EFAARO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000097272496 219007737 /nfs/dbraw/zinc/00/77/37/219007737.db2.gz UVOUIDNZHFVLHX-LJQANCHMSA-N 1 0 330.472 2.974 50 0 EFAARO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000097272495 219007841 /nfs/dbraw/zinc/00/78/41/219007841.db2.gz UVOUIDNZHFVLHX-IBGZPJMESA-N 1 0 330.472 2.974 50 0 EFAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC(c2ncon2)CC1 ZINC000097370358 219015401 /nfs/dbraw/zinc/01/54/01/219015401.db2.gz GRJMPUJJJKEBPZ-ZDUSSCGKSA-N 1 0 329.400 2.857 50 0 EFAARO COc1cc(C(=O)O[C@H](C)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000004802797 210280101 /nfs/dbraw/zinc/28/01/01/210280101.db2.gz WWXABXZDLSHTRK-CYBMUJFWSA-N 1 0 337.416 2.744 50 0 EFAARO CCOCc1cc(CN2CC[NH+](C3CCOCC3)CC2)ccc1OC ZINC000097499683 219030407 /nfs/dbraw/zinc/03/04/07/219030407.db2.gz UWLSCPYBIMSLNS-UHFFFAOYSA-N 1 0 348.487 2.528 50 0 EFAARO CC1(C)C[C@H](C[NH+]2CCN(Cc3ccccc3CO)CC2)CCO1 ZINC000097522607 219032251 /nfs/dbraw/zinc/03/22/51/219032251.db2.gz HXZAJCSVHGFWKL-QGZVFWFLSA-N 1 0 332.488 2.502 50 0 EFAARO Cc1ccc(-c2cccc(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)c2)o1 ZINC000097527808 219033183 /nfs/dbraw/zinc/03/31/83/219033183.db2.gz PBNMKURGFMZHNR-SFHVURJKSA-N 1 0 342.439 2.832 50 0 EFAARO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3ncnc4nc[nH]c43)CC2)o1 ZINC000097551384 219034014 /nfs/dbraw/zinc/03/40/14/219034014.db2.gz PRRCXNQXEWKMBT-ZDUSSCGKSA-N 1 0 340.431 2.570 50 0 EFAARO CCc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C)C2)no1 ZINC000097551298 219034051 /nfs/dbraw/zinc/03/40/51/219034051.db2.gz QILCMEOIVRMORI-HNNXBMFYSA-N 1 0 327.428 2.797 50 0 EFAARO CCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000004751184 210270024 /nfs/dbraw/zinc/27/00/24/210270024.db2.gz DOYJOSZDEZMQFM-UHFFFAOYSA-N 1 0 340.489 2.673 50 0 EFAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCc2ccc3c(c2)CCCC3)C1 ZINC000097604139 219039732 /nfs/dbraw/zinc/03/97/32/219039732.db2.gz UPEPENDSSUSXIM-IBGZPJMESA-N 1 0 330.472 2.681 50 0 EFAARO COc1cccc(C(=O)N2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1OC ZINC000004745839 210268617 /nfs/dbraw/zinc/26/86/17/210268617.db2.gz IRXTZZNSTJPMEF-MRXNPFEDSA-N 1 0 344.455 2.818 50 0 EFAARO O=C(NCCC[N@H+]1CCC[C@@H](CO)C1)Nc1cc(F)cc(Cl)c1 ZINC000097575020 219036451 /nfs/dbraw/zinc/03/64/51/219036451.db2.gz GVUMBXCGQZIODO-GFCCVEGCSA-N 1 0 343.830 2.695 50 0 EFAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)N(C)C/C=C/c2ccccc2)C1 ZINC000426740379 257956642 /nfs/dbraw/zinc/95/66/42/257956642.db2.gz GHOTWVRRPRAMNW-IUYMFKLXSA-N 1 0 345.487 2.700 50 0 EFAARO Cc1ccc(C(C)(C)NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000426667674 257959182 /nfs/dbraw/zinc/95/91/82/257959182.db2.gz VXGLSDXITKVNLK-SFHVURJKSA-N 1 0 347.503 2.982 50 0 EFAARO Cc1cnccc1Sc1nnc([C@H]([NH3+])Cc2ccccc2)n1C ZINC000426635334 257960557 /nfs/dbraw/zinc/96/05/57/257960557.db2.gz KAJUPJRMSRCNHY-CQSZACIVSA-N 1 0 325.441 2.912 50 0 EFAARO CC(C)[NH+]1CCC(NC(=O)N(C)Cc2ccc3nsnc3c2)CC1 ZINC000426550679 257963749 /nfs/dbraw/zinc/96/37/49/257963749.db2.gz TZCDVMYDBBGRAK-UHFFFAOYSA-N 1 0 347.488 2.706 50 0 EFAARO O=C(NCCc1cn2ccsc2n1)c1ccc(C[NH+]2CCCC2)o1 ZINC000299770534 258083273 /nfs/dbraw/zinc/08/32/73/258083273.db2.gz RRUOQXLHNYUPQW-UHFFFAOYSA-N 1 0 344.440 2.557 50 0 EFAARO CC(C)[N@@H+]1CC[C@@H](CN(C)C(=O)CCc2ccc(N(C)C)cc2)C1 ZINC000299773585 258085269 /nfs/dbraw/zinc/08/52/69/258085269.db2.gz DMIDEOHHEJOAFE-SFHVURJKSA-N 1 0 331.504 2.874 50 0 EFAARO C[NH+]1CCC(CNC(=O)CCn2cccc2)(c2ccccc2)CC1 ZINC000299773249 258085434 /nfs/dbraw/zinc/08/54/34/258085434.db2.gz BRGNCZBBCHEJPI-UHFFFAOYSA-N 1 0 325.456 2.658 50 0 EFAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc4c(cc3C)OCO4)[C@H]2C1 ZINC000299773587 258085481 /nfs/dbraw/zinc/08/54/81/258085481.db2.gz DPOFDENFIDEKNH-ZYSHUDEJSA-N 1 0 333.428 2.882 50 0 EFAARO O=C(NCCc1ccncc1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299775768 258086176 /nfs/dbraw/zinc/08/61/76/258086176.db2.gz KCOPCCUKWGDSEM-ZCNNSNEGSA-N 1 0 335.451 2.966 50 0 EFAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N1CCC(CCO)CC1 ZINC000299777638 258087491 /nfs/dbraw/zinc/08/74/91/258087491.db2.gz QRRRJXPFBBQSRZ-ZCNNSNEGSA-N 1 0 342.483 2.833 50 0 EFAARO Cc1nc2ccc(NC(=O)NCC3([NH+](C)C)CCOCC3)cc2s1 ZINC000299781237 258090096 /nfs/dbraw/zinc/09/00/96/258090096.db2.gz KSCVZXCCJIXLAV-UHFFFAOYSA-N 1 0 348.472 2.837 50 0 EFAARO [NH3+]CCCOc1ccc(C(=O)N2CC(c3ccncc3)C2)cc1Cl ZINC000299786538 258093941 /nfs/dbraw/zinc/09/39/41/258093941.db2.gz MYHGGKUDKIGMBR-UHFFFAOYSA-N 1 0 345.830 2.702 50 0 EFAARO O=C(CCc1cn[nH]c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000299788853 258094875 /nfs/dbraw/zinc/09/48/75/258094875.db2.gz WMVNORJLGGYYRM-UHFFFAOYSA-N 1 0 346.862 2.777 50 0 EFAARO CC1(C)CN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CCO1 ZINC000299788372 258094914 /nfs/dbraw/zinc/09/49/14/258094914.db2.gz UUFSNPKBVKYHDH-KSZLIROESA-N 1 0 328.456 2.849 50 0 EFAARO Cc1c[nH]c(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299791461 258096740 /nfs/dbraw/zinc/09/67/40/258096740.db2.gz FVZNLYRQGHMNHK-KSZLIROESA-N 1 0 338.455 2.902 50 0 EFAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000299792055 258097466 /nfs/dbraw/zinc/09/74/66/258097466.db2.gz FCBZVEAPXHTZTI-HNNXBMFYSA-N 1 0 339.443 2.963 50 0 EFAARO CCCn1cc(NC(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000299791642 258097487 /nfs/dbraw/zinc/09/74/87/258097487.db2.gz DWMCXFSGWOUFEC-CYBMUJFWSA-N 1 0 348.476 2.536 50 0 EFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3cc(C)oc3C)cc2C1 ZINC000299792322 258097588 /nfs/dbraw/zinc/09/75/88/258097588.db2.gz DPUGFIOECWUZHM-UHFFFAOYSA-N 1 0 330.432 2.639 50 0 EFAARO CN(Cc1ncc[nH]1)C(=O)c1cccc(-c2ccc(C[NH+](C)C)cn2)c1 ZINC000299792447 258097957 /nfs/dbraw/zinc/09/79/57/258097957.db2.gz DYVTWYWSEGEXDM-UHFFFAOYSA-N 1 0 349.438 2.806 50 0 EFAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1c[nH]c(=O)cn1 ZINC000299792947 258098211 /nfs/dbraw/zinc/09/82/11/258098211.db2.gz GKZSPOQPYKQLBU-KRWDZBQOSA-N 1 0 340.427 2.529 50 0 EFAARO Cc1n[nH]c(CCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000299795408 258099865 /nfs/dbraw/zinc/09/98/65/258099865.db2.gz LKTWUJNVPGFNGG-UHFFFAOYSA-N 1 0 340.471 2.871 50 0 EFAARO CC(C)Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 ZINC000299795698 258100198 /nfs/dbraw/zinc/10/01/98/258100198.db2.gz MFZIXVXKVABDQK-OALUTQOASA-N 1 0 326.444 2.822 50 0 EFAARO Cc1ccc(C(=O)N2CCOC3(CCCC3)C2)c(OCCC[NH3+])c1 ZINC000299796375 258100270 /nfs/dbraw/zinc/10/02/70/258100270.db2.gz MJEDTNQBDQUEHS-UHFFFAOYSA-N 1 0 332.444 2.508 50 0 EFAARO Cc1c(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)cnn1C ZINC000299797175 258100879 /nfs/dbraw/zinc/10/08/79/258100879.db2.gz QHMWZNWMWFPFDA-QGZVFWFLSA-N 1 0 345.422 2.826 50 0 EFAARO Cc1ccsc1-c1cccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1 ZINC000299796604 258101198 /nfs/dbraw/zinc/10/11/98/258101198.db2.gz OBYWDWCVUFYUKS-IBGZPJMESA-N 1 0 344.480 2.862 50 0 EFAARO Cn1ccc2c1cccc2C(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000299799775 258103121 /nfs/dbraw/zinc/10/31/21/258103121.db2.gz SFUBPSXRFHDQIW-UHFFFAOYSA-N 1 0 343.496 2.832 50 0 EFAARO Cc1cc(C)c(CNC(=O)c2ccc(C)c(OCCC[NH3+])c2)cn1 ZINC000299800041 258103569 /nfs/dbraw/zinc/10/35/69/258103569.db2.gz UXWRBUKKPIGLHC-UHFFFAOYSA-N 1 0 327.428 2.664 50 0 EFAARO CC[NH+](CC)CCOc1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000031814194 258058555 /nfs/dbraw/zinc/05/85/55/258058555.db2.gz FEZIMHALHNZXDZ-UHFFFAOYSA-N 1 0 345.472 2.938 50 0 EFAARO O=C(NCC[N@H+]1CCC[C@H](CO)C1)c1cccc2c(Cl)cccc12 ZINC000215960990 258072195 /nfs/dbraw/zinc/07/21/95/258072195.db2.gz WIIRVZLGDHHUEK-AWEZNQCLSA-N 1 0 346.858 2.927 50 0 EFAARO O=c1cc([C@H]2CCC[N@H+](Cc3cncn3Cc3ccccc3)C2)nc[nH]1 ZINC000299759819 258077172 /nfs/dbraw/zinc/07/71/72/258077172.db2.gz NHMXWDPTOKYKTI-KRWDZBQOSA-N 1 0 349.438 2.807 50 0 EFAARO Cc1n[nH]c(C)c1CCN1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000299760145 258077203 /nfs/dbraw/zinc/07/72/03/258077203.db2.gz SBBCBMGWDGDZFV-HXUWFJFHSA-N 1 0 338.499 2.744 50 0 EFAARO CO[C@]12CC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)[C@H]1C[C@@H](O)CC2 ZINC000299760153 258077282 /nfs/dbraw/zinc/07/72/82/258077282.db2.gz SDBSTTPYABZKOZ-JENIJYKNSA-N 1 0 345.418 2.720 50 0 EFAARO Cc1csc([C@H](C)NC(=O)c2cc(Cl)ccc2OCC[NH3+])n1 ZINC000299766629 258081373 /nfs/dbraw/zinc/08/13/73/258081373.db2.gz KJLBPPPIDUYTHD-JTQLQIEISA-N 1 0 339.848 2.933 50 0 EFAARO Cc1nn(C)c(NC(=O)NCC[NH+]2CCCC2)c1-c1ccccc1 ZINC000299767310 258082381 /nfs/dbraw/zinc/08/23/81/258082381.db2.gz QQIFFJXRZAKCAW-UHFFFAOYSA-N 1 0 327.432 2.613 50 0 EFAARO CCc1nc2cc(NC(=O)N(C)[C@H]3CC[N@H+](C)C3)ccc2n1CC ZINC000299769015 258082717 /nfs/dbraw/zinc/08/27/17/258082717.db2.gz LEBHOVKTJSYNJH-AWEZNQCLSA-N 1 0 329.448 2.786 50 0 EFAARO Cc1cc(N2CCC(CO)(CCCc3ccccc3)CC2)nc(N)[nH+]1 ZINC000067696964 132812414 /nfs/dbraw/zinc/81/24/14/132812414.db2.gz BDMPZBOKIRDNMP-UHFFFAOYSA-N 1 0 340.471 2.969 50 0 EFAARO CO[C@H]1[C@H](NC(=O)c2ccccc2)c2ccccc2C12CC[NH2+]CC2 ZINC000072473696 286118410 /nfs/dbraw/zinc/11/84/10/286118410.db2.gz WIASZJSSHSSDER-MOPGFXCFSA-N 1 0 336.435 2.808 50 0 EFAARO COCCC[N@@H+]1CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000362946520 274020361 /nfs/dbraw/zinc/02/03/61/274020361.db2.gz XXOMHSJOWINFHS-UHFFFAOYSA-N 1 0 342.842 2.592 50 0 EFAARO COc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000010017944 274116117 /nfs/dbraw/zinc/11/61/17/274116117.db2.gz NNSXUUNXKKGQFN-LJQANCHMSA-N 1 0 342.439 2.802 50 0 EFAARO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCc2ccccc2C1 ZINC000355728270 274968745 /nfs/dbraw/zinc/96/87/45/274968745.db2.gz FARLAXYZNKJNBQ-SFHVURJKSA-N 1 0 330.497 2.789 50 0 EFAARO c1cnn(CCC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072149142 275074226 /nfs/dbraw/zinc/07/42/26/275074226.db2.gz REQXEDDAPSGKJL-NJDAHSKKSA-N 1 0 336.483 2.835 50 0 EFAARO CCN(CC)C(=O)N[C@H]1C[C@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000005845751 276090946 /nfs/dbraw/zinc/09/09/46/276090946.db2.gz JOAHPSVPXZTVEP-QILLFSRXSA-N 1 0 340.471 2.932 50 0 in-vitro EFAARO CC(=O)Nc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000039333811 277070804 /nfs/dbraw/zinc/07/08/04/277070804.db2.gz GWTINWHKJSKKAE-KRWDZBQOSA-N 1 0 329.444 2.782 50 0 EFAARO COCC[C@H](C)[NH+]1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000072447192 277238585 /nfs/dbraw/zinc/23/85/85/277238585.db2.gz WMGXHLVUSMAEMJ-KRWDZBQOSA-N 1 0 346.471 2.941 50 0 EFAARO COC(=O)c1ccc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000020494163 277435980 /nfs/dbraw/zinc/43/59/80/277435980.db2.gz OJFGADPGBIZSJH-SFHVURJKSA-N 1 0 327.380 2.726 50 0 biogenic EFAARO CS[C@H](C)CC[NH+]1CCC2(CCC(=O)N(CCCCO)C2)CC1 ZINC000091350533 277525468 /nfs/dbraw/zinc/52/54/68/277525468.db2.gz ZSOUZJRBGFJBQS-MRXNPFEDSA-N 1 0 342.549 2.605 50 0 EFAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CN1C(C)C ZINC000032577657 277660094 /nfs/dbraw/zinc/66/00/94/277660094.db2.gz UXMXCTJTCJXSEY-SJORKVTESA-N 1 0 337.895 2.806 50 0 EFAARO COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000012074629 278011358 /nfs/dbraw/zinc/01/13/58/278011358.db2.gz WJJFSAJUEDVDMQ-HXUWFJFHSA-N 1 0 328.456 2.920 50 0 EFAARO Cc1cc(C)c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c(=O)[nH]1 ZINC000091636393 280384119 /nfs/dbraw/zinc/38/41/19/280384119.db2.gz IMCLALJLTZTTJG-QGZVFWFLSA-N 1 0 339.439 2.559 50 0 EFAARO COc1cc([C@@H](c2ccccc2)N2CC[NH2+]CC2)cc(OC)c1OC ZINC000022028463 295020352 /nfs/dbraw/zinc/02/03/52/295020352.db2.gz AEBSPPODFOQFNP-LJQANCHMSA-N 1 0 342.439 2.707 50 0 EFAARO Cc1ccccc1[C@H](C(=O)N1CCC2(CC[N@H+](C)C2)CC1)N(C)C ZINC000095531694 302170059 /nfs/dbraw/zinc/17/00/59/302170059.db2.gz WVNIQKSNAHTHLB-GOSISDBHSA-N 1 0 329.488 2.542 50 0 EFAARO [NH3+]C[C@H]1CCCCN1C(=O)NCCOc1cccc2ccccc21 ZINC000417164600 312195732 /nfs/dbraw/zinc/19/57/32/312195732.db2.gz PCQZBLFOCRYWFB-MRXNPFEDSA-N 1 0 327.428 2.741 50 0 EFAARO CCOCc1nc([C@@H](C)n2nc(C)cc2C)n(C2CC[NH+](C)CC2)n1 ZINC000095499930 473213174 /nfs/dbraw/zinc/21/31/74/473213174.db2.gz HXOGGEROKWGWSP-OAHLLOKOSA-N 1 0 346.479 2.504 50 0 EFAARO Cc1cnc(C)c(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)n1 ZINC000095497375 473213427 /nfs/dbraw/zinc/21/34/27/473213427.db2.gz ZYLGNFOGSDYKEO-KRWDZBQOSA-N 1 0 342.491 2.626 50 0 EFAARO O=C1OC2(CN1Cc1cc(C(F)(F)F)ccc1F)CC[NH2+]CC2 ZINC000095497635 473213453 /nfs/dbraw/zinc/21/34/53/473213453.db2.gz APASWNZYRMIHQX-UHFFFAOYSA-N 1 0 332.297 2.919 50 0 EFAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095500669 473214295 /nfs/dbraw/zinc/21/42/95/473214295.db2.gz VEZRKTQIUXHSHG-KBPBESRZSA-N 1 0 345.365 2.935 50 0 EFAARO Cc1nc2c(c(N3CCC[C@@H](CC[NH3+])C3)n1)Cc1ccccc1OC2 ZINC000095501862 473214397 /nfs/dbraw/zinc/21/43/97/473214397.db2.gz ZVOLVTHTUAEAQI-HNNXBMFYSA-N 1 0 338.455 2.833 50 0 EFAARO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000095500915 473214703 /nfs/dbraw/zinc/21/47/03/473214703.db2.gz YEPSOXSOBAYZTC-GXTWGEPZSA-N 1 0 348.497 2.531 50 0 EFAARO CSCCc1nc([C@H]2CC[N@H+](C)C2)n(Cc2ccc(F)cc2)n1 ZINC000095503324 473214729 /nfs/dbraw/zinc/21/47/29/473214729.db2.gz IASAUXAVCRBZMV-AWEZNQCLSA-N 1 0 334.464 2.790 50 0 EFAARO c1ccc2c(c1)C[C@H](C[NH+]1CCN(Cc3cccnc3)CC1)CCO2 ZINC000095501772 473214934 /nfs/dbraw/zinc/21/49/34/473214934.db2.gz LVVBFANYJMYDRO-GOSISDBHSA-N 1 0 337.467 2.841 50 0 EFAARO CC(C)c1nnc(N2CCC(c3nccn3CC[NH+](C)C)CC2)s1 ZINC000095505015 473215515 /nfs/dbraw/zinc/21/55/15/473215515.db2.gz YZPITPXHBUESRL-UHFFFAOYSA-N 1 0 348.520 2.804 50 0 EFAARO CCOCc1nc([C@@H]2CCC[N@H+](C)C2)n(CCc2ccccc2)n1 ZINC000095504851 473215917 /nfs/dbraw/zinc/21/59/17/473215917.db2.gz DYAJCCHVEFRANE-QGZVFWFLSA-N 1 0 328.460 2.867 50 0 EFAARO Cc1cc(C)n(-c2ccccc2CN2CC3(CC[NH2+]CC3)OC2=O)n1 ZINC000095506223 473215991 /nfs/dbraw/zinc/21/59/91/473215991.db2.gz HAXLPYWUNUENHE-UHFFFAOYSA-N 1 0 340.427 2.564 50 0 EFAARO Cc1cc(N2CCC(c3nccn3CC(N)=O)CC2)c2ccccc2[nH+]1 ZINC000095503712 473216128 /nfs/dbraw/zinc/21/61/28/473216128.db2.gz SMOPTJVLUFLAFC-UHFFFAOYSA-N 1 0 349.438 2.609 50 0 EFAARO CCCc1cc(N2CCC([NH2+]CCCn3ccnc3)CC2)nc(C)n1 ZINC000095508616 473216469 /nfs/dbraw/zinc/21/64/69/473216469.db2.gz BLKALOJKSGAEPL-UHFFFAOYSA-N 1 0 342.491 2.583 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N2CCC(Cc3nc(C)no3)CC2)CC1 ZINC000095518194 473218182 /nfs/dbraw/zinc/21/81/82/473218182.db2.gz HHOVUQFFKMYANH-UHFFFAOYSA-N 1 0 348.491 2.671 50 0 EFAARO Cc1ccc([C@@H]2CN(C(=O)c3ncc(F)cc3F)C[C@H]2[NH+](C)C)cc1 ZINC000095517235 473218348 /nfs/dbraw/zinc/21/83/48/473218348.db2.gz OBYMBQVHFVBJLN-DOTOQJQBSA-N 1 0 345.393 2.838 50 0 EFAARO CCn1c(CCNC(=O)C2CC[NH+](C(C)C)CC2)nc2ccccc21 ZINC000095512598 473218365 /nfs/dbraw/zinc/21/83/65/473218365.db2.gz ZOVLVQPTVBUOQK-UHFFFAOYSA-N 1 0 342.487 2.835 50 0 EFAARO O=C(NCCCCC[NH+]1CCOCC1)Nc1cnc2ccccc2c1 ZINC000095521177 473219063 /nfs/dbraw/zinc/21/90/63/473219063.db2.gz RFQRQYTWUDQNSK-UHFFFAOYSA-N 1 0 342.443 2.859 50 0 EFAARO Cc1nc(CCNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)sc1Cl ZINC000095524488 473220470 /nfs/dbraw/zinc/22/04/70/473220470.db2.gz YDSQIDFXAQHMFX-GFCCVEGCSA-N 1 0 329.897 2.884 50 0 EFAARO CN(CCCc1cnn(C)c1)C(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000095531672 473222699 /nfs/dbraw/zinc/22/26/99/473222699.db2.gz ICKNSGRMESWYGE-RBUKOAKNSA-N 1 0 346.519 2.856 50 0 EFAARO Nc1ccc(N2CCC([NH+]3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000140339568 473244986 /nfs/dbraw/zinc/24/49/86/473244986.db2.gz OADUERAJSSMZRO-UHFFFAOYSA-N 1 0 329.366 2.589 50 0 EFAARO CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000081820922 473259443 /nfs/dbraw/zinc/25/94/43/473259443.db2.gz MSJTUEMTZLFBFJ-MRXNPFEDSA-N 1 0 326.444 2.548 50 0 EFAARO COc1cccc(CC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC000082086813 473285531 /nfs/dbraw/zinc/28/55/31/473285531.db2.gz XKTHYLLOUWFKQK-UHFFFAOYSA-N 1 0 339.439 2.680 50 0 EFAARO c1sc(N2CCCC2)nc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000082091316 473285664 /nfs/dbraw/zinc/28/56/64/473285664.db2.gz JFWVEHQFFYNJDX-CQSZACIVSA-N 1 0 337.489 2.561 50 0 EFAARO CC1(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000082099478 473289916 /nfs/dbraw/zinc/28/99/16/473289916.db2.gz GOYWYIHMIYUJTK-GOSISDBHSA-N 1 0 342.483 2.817 50 0 EFAARO O=C(NCc1cc2n(n1)CCC[NH2+]C2)c1cc2c(s1)CCCCC2 ZINC000082098735 473289571 /nfs/dbraw/zinc/28/95/71/473289571.db2.gz NDECAQHKAKMPCO-UHFFFAOYSA-N 1 0 344.484 2.637 50 0 EFAARO Cc1ccccc1N1CC[NH+]([C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000082106934 473289738 /nfs/dbraw/zinc/28/97/38/473289738.db2.gz IXUGGDFYNTUPML-SFHVURJKSA-N 1 0 330.472 2.845 50 0 EFAARO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)s1 ZINC000082109161 473291121 /nfs/dbraw/zinc/29/11/21/473291121.db2.gz SQBJEEDNRLQFKW-SFHVURJKSA-N 1 0 336.501 2.644 50 0 EFAARO Cc1cc(N2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)cc[nH+]1 ZINC000082109740 473291156 /nfs/dbraw/zinc/29/11/56/473291156.db2.gz ONTTZGYYXSWDJO-UHFFFAOYSA-N 1 0 340.475 2.762 50 0 EFAARO Cc1cccc2[nH]c(C3CCN(C(=O)C[NH+]4CCCC4)CC3)nc21 ZINC000082120048 473292529 /nfs/dbraw/zinc/29/25/29/473292529.db2.gz JXTWHUXWPNSTGL-UHFFFAOYSA-N 1 0 326.444 2.673 50 0 EFAARO CCOc1ncccc1C(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000082120278 473292965 /nfs/dbraw/zinc/29/29/65/473292965.db2.gz LMUQCFNMGPQGDK-UHFFFAOYSA-N 1 0 340.427 2.536 50 0 EFAARO CNc1cc(C)[nH+]c(N2CCC[C@H](c3nccn3CC3CC3)C2)n1 ZINC000082121448 473292993 /nfs/dbraw/zinc/29/29/93/473292993.db2.gz YETRWVUARBTYFR-HNNXBMFYSA-N 1 0 326.448 2.817 50 0 EFAARO C[C@H](C[NH+]1CCCC1)C(=O)N1CCC(c2nccn2CC2CC2)CC1 ZINC000082121478 473293036 /nfs/dbraw/zinc/29/30/36/473293036.db2.gz WPJJAGOVIBEUBX-MRXNPFEDSA-N 1 0 344.503 2.731 50 0 EFAARO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082147027 473295635 /nfs/dbraw/zinc/29/56/35/473295635.db2.gz KJMHWQNYNZOAEN-HXUWFJFHSA-N 1 0 348.462 2.721 50 0 EFAARO Cc1nc(-c2ccc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)cc2)no1 ZINC000082146435 473295850 /nfs/dbraw/zinc/29/58/50/473295850.db2.gz OVDXKNWPAMCFJQ-KRWDZBQOSA-N 1 0 343.427 2.863 50 0 EFAARO CCC[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1NS(C)(=O)=O ZINC000082139129 473296324 /nfs/dbraw/zinc/29/63/24/473296324.db2.gz SEWPTAAFSDSPIE-GDBMZVCRSA-N 1 0 336.457 2.583 50 0 EFAARO O=C1CC[C@@]2(CCC[N@@H+](C3CCCCC3)C2)CN1CCc1c[nH]cn1 ZINC000082167019 473297301 /nfs/dbraw/zinc/29/73/01/473297301.db2.gz LZNLBCGBHPURCZ-HXUWFJFHSA-N 1 0 344.503 2.990 50 0 EFAARO COc1ncccc1-c1ccc2c(c1)OC[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000146390693 473299926 /nfs/dbraw/zinc/29/99/26/473299926.db2.gz QNRYOHUELXDGCY-SJLPKXTDSA-N 1 0 326.396 2.647 50 0 EFAARO COc1ccc(OC2CCN(C(=O)[C@@H](C)C[NH+]3CCCC3)CC2)cc1 ZINC000082156854 473297692 /nfs/dbraw/zinc/29/76/92/473297692.db2.gz OSPYYJZMAKJXLQ-INIZCTEOSA-N 1 0 346.471 2.797 50 0 EFAARO CCC[C@@H]1C[N@H+](Cc2ccc(OCC)c(OC)c2)C[C@H]1NC(C)=O ZINC000082156800 473298073 /nfs/dbraw/zinc/29/80/73/473298073.db2.gz WYJLMIIARXKKQG-IAGOWNOFSA-N 1 0 334.460 2.831 50 0 EFAARO CSc1nnc(CC2CC[NH+](C3Cc4ccccc4C3)CC2)n1C ZINC000082170518 473298158 /nfs/dbraw/zinc/29/81/58/473298158.db2.gz PKNSULMWCPTZJY-UHFFFAOYSA-N 1 0 342.512 2.959 50 0 EFAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccc(CC)cc2)n1 ZINC000082230728 473299765 /nfs/dbraw/zinc/29/97/65/473299765.db2.gz DFBLUWUGECGHNV-UHFFFAOYSA-N 1 0 327.432 2.621 50 0 EFAARO CNc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)ccn1 ZINC000096130792 473309182 /nfs/dbraw/zinc/30/91/82/473309182.db2.gz JWMDWEDXVFQUEZ-GOSISDBHSA-N 1 0 338.455 2.733 50 0 EFAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccc3ncn(C)c3c2)C1 ZINC000096133761 473311146 /nfs/dbraw/zinc/31/11/46/473311146.db2.gz REWXVQDWBLSDBJ-ZDUSSCGKSA-N 1 0 327.432 2.664 50 0 EFAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Cc3csc(C)n3)CC2)o1 ZINC000096136474 473311712 /nfs/dbraw/zinc/31/17/12/473311712.db2.gz FOUCRZJSLHXHSN-UHFFFAOYSA-N 1 0 347.484 2.924 50 0 EFAARO Fc1ccc(-n2nc(-c3ccccc3)nc2C[C@H]2C[NH2+]CCO2)cc1 ZINC000096139691 473313269 /nfs/dbraw/zinc/31/32/69/473313269.db2.gz HMESMIPUFIAJOK-KRWDZBQOSA-N 1 0 338.386 2.604 50 0 EFAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3scnc3c2)C1 ZINC000096140383 473313611 /nfs/dbraw/zinc/31/36/11/473313611.db2.gz LXHIQZJCPRRROK-ZDUSSCGKSA-N 1 0 348.472 2.776 50 0 EFAARO Cc1ccc(C[NH+]2CCC(c3nnc(CN4CCCC4)n3C)CC2)o1 ZINC000096150016 473314679 /nfs/dbraw/zinc/31/46/79/473314679.db2.gz OVRAHZIQJHMQPM-UHFFFAOYSA-N 1 0 343.475 2.692 50 0 EFAARO CCc1oc(C(=O)N2CCc3[nH]cnc3C2)cc1C[NH+](CC)CC ZINC000096153213 473315723 /nfs/dbraw/zinc/31/57/23/473315723.db2.gz UVAJNNFTYAUWCX-UHFFFAOYSA-N 1 0 330.432 2.605 50 0 EFAARO Cc1cc(-c2nc(-c3ccccn3)nn2C2CC[NH+](C)CC2)nc(C)n1 ZINC000096153770 473316583 /nfs/dbraw/zinc/31/65/83/473316583.db2.gz CIEURGWJQRULIO-UHFFFAOYSA-N 1 0 349.442 2.681 50 0 EFAARO Cc1nc(-c2nc(C[C@@H]3C[NH2+]CCO3)n(C3CCCCC3)n2)cs1 ZINC000096162157 473319307 /nfs/dbraw/zinc/31/93/07/473319307.db2.gz CFCPPPITCFNEKE-CQSZACIVSA-N 1 0 347.488 2.746 50 0 EFAARO CCn1c(CN(C)C)nnc1C1CC[NH+](CCc2ccccc2)CC1 ZINC000096164433 473321655 /nfs/dbraw/zinc/32/16/55/473321655.db2.gz NCZOQOPNEJQQKW-UHFFFAOYSA-N 1 0 341.503 2.782 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C(C)C)c(=O)c2ccccc12 ZINC000096223071 473355342 /nfs/dbraw/zinc/35/53/42/473355342.db2.gz CZERHGKROJLYQM-HNNXBMFYSA-N 1 0 341.455 2.797 50 0 EFAARO [NH3+][C@H](Cc1c[nH]c2ccccc12)CN1CCN(c2ccccc2)CC1 ZINC000096319021 473374746 /nfs/dbraw/zinc/37/47/46/473374746.db2.gz BLIPLITXLNBTNM-GOSISDBHSA-N 1 0 334.467 2.860 50 0 EFAARO O=C(Oc1ccc(Br)cc1)N1CC[NH+]2CCC1CC2 ZINC000000008849 471317074 /nfs/dbraw/zinc/31/70/74/471317074.db2.gz RXLOZRCLQMJJLC-UHFFFAOYSA-N 1 0 325.206 2.728 50 0 in-man EFAARO CCC[N@H+](CC1CC1)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000000084408 471320845 /nfs/dbraw/zinc/32/08/45/471320845.db2.gz HJTRDPKZAFDUEA-QGZVFWFLSA-N 1 0 330.428 2.839 50 0 EFAARO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1OC ZINC000000212274 471335533 /nfs/dbraw/zinc/33/55/33/471335533.db2.gz DHQXSFYXQQIKJV-KRWDZBQOSA-N 1 0 346.471 2.928 50 0 EFAARO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1 ZINC000000212312 471335713 /nfs/dbraw/zinc/33/57/13/471335713.db2.gz ITOUDDOPLAMPIN-INIZCTEOSA-N 1 0 346.471 2.928 50 0 EFAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000000214896 471337171 /nfs/dbraw/zinc/33/71/71/471337171.db2.gz SAVXZHIDUAACIM-OAHLLOKOSA-N 1 0 348.443 2.504 50 0 EFAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000000380753 471352826 /nfs/dbraw/zinc/35/28/26/471352826.db2.gz AYHUHAMCGVGNLR-UHFFFAOYSA-N 1 0 327.403 2.977 50 0 EFAARO C[NH+](C)[C@@H]1CCC[C@@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000536434 471369580 /nfs/dbraw/zinc/36/95/80/471369580.db2.gz LSWJQVDIUFZAST-MOPGFXCFSA-N 1 0 339.435 2.948 50 0 EFAARO C[NH+]1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000001570234 471393604 /nfs/dbraw/zinc/39/36/04/471393604.db2.gz UGYPGJCVNPPUPE-UHFFFAOYSA-N 1 0 325.408 2.560 50 0 in-vitro EFAARO CC[NH+]1CCN(c2nc3ccccc3c(NCc3ccco3)n2)CC1 ZINC000002874712 471426541 /nfs/dbraw/zinc/42/65/41/471426541.db2.gz LXCMYOHIVUVEAS-UHFFFAOYSA-N 1 0 337.427 2.977 50 0 EFAARO COc1ccc(OC)c([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c1 ZINC000003127864 471433269 /nfs/dbraw/zinc/43/32/69/471433269.db2.gz CUXCCFIGJAVROM-IBGZPJMESA-N 1 0 329.396 2.956 50 0 EFAARO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000006455708 471545921 /nfs/dbraw/zinc/54/59/21/471545921.db2.gz OXWXXMDTFPNWGG-RDTXWAMCSA-N 1 0 328.412 2.736 50 0 EFAARO COc1ccc2ccccc2c1C[NH2+]CCCSc1nnnn1C ZINC000007541521 471620453 /nfs/dbraw/zinc/62/04/53/471620453.db2.gz UYVSIVZZUHHOGL-UHFFFAOYSA-N 1 0 343.456 2.644 50 0 EFAARO CC1(C)CC(NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)CC(C)(C)[NH2+]1 ZINC000009340782 471715206 /nfs/dbraw/zinc/71/52/06/471715206.db2.gz PILZJXJHAWNJRL-UHFFFAOYSA-N 1 0 342.443 2.532 50 0 EFAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)Nc3ccccc3)CC2)n1 ZINC000009620782 471720036 /nfs/dbraw/zinc/72/00/36/471720036.db2.gz DCVQVXKKHNYWAA-UHFFFAOYSA-N 1 0 340.431 2.571 50 0 EFAARO C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000012528547 471777307 /nfs/dbraw/zinc/77/73/07/471777307.db2.gz VFLLXBZQTKFJOZ-MRXNPFEDSA-N 1 0 339.439 2.844 50 0 EFAARO O=C1N(CC2CC2)CCC[C@@]1(O)C[NH2+]Cc1ccc2sccc2c1 ZINC000012591657 471783863 /nfs/dbraw/zinc/78/38/63/471783863.db2.gz RRSLCQMEKSJOID-LJQANCHMSA-N 1 0 344.480 2.754 50 0 EFAARO O=C1N(Cc2ccccc2F)CCC[C@@]1(O)C[NH2+]C1CCCCC1 ZINC000012704836 471790928 /nfs/dbraw/zinc/79/09/28/471790928.db2.gz NVCFRYYNKNVPOC-LJQANCHMSA-N 1 0 334.435 2.602 50 0 EFAARO COCCNC(=O)CCC1CC[NH+]([C@H](C)COc2ccccc2)CC1 ZINC000012708802 471790934 /nfs/dbraw/zinc/79/09/34/471790934.db2.gz GWGHNSJHTRUGDZ-QGZVFWFLSA-N 1 0 348.487 2.709 50 0 EFAARO COc1ccccc1OCC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000013011277 471813092 /nfs/dbraw/zinc/81/30/92/471813092.db2.gz QVEUWKBSVWVHMH-CQSZACIVSA-N 1 0 334.441 2.555 50 0 EFAARO CCOC(=O)c1sc(NC(=O)C[N@H+](C)C2CCCCC2)nc1C ZINC000013323285 471825217 /nfs/dbraw/zinc/82/52/17/471825217.db2.gz PXYNGSXHKASLSL-UHFFFAOYSA-N 1 0 339.461 2.831 50 0 EFAARO O=S(=O)(Cc1ccc(F)cc1)NCCC[NH+]1CCCCCC1 ZINC000013669311 471837815 /nfs/dbraw/zinc/83/78/15/471837815.db2.gz IKOZMINKTDMOPG-UHFFFAOYSA-N 1 0 328.453 2.511 50 0 EFAARO CC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014732149 471877200 /nfs/dbraw/zinc/87/72/00/471877200.db2.gz WJPSOENOTNSISB-OAHLLOKOSA-N 1 0 332.492 2.632 50 0 EFAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NC(C)(C)C)nc2)C1 ZINC000014950827 471882737 /nfs/dbraw/zinc/88/27/37/471882737.db2.gz XBJFOZCGAWZEIB-HNNXBMFYSA-N 1 0 332.492 3.000 50 0 EFAARO O=C1N(Cc2ccccc2F)CCC[C@]1(O)C[NH2+]C1CCCCCC1 ZINC000014949360 471883276 /nfs/dbraw/zinc/88/32/76/471883276.db2.gz IVMHBYFNTJPTRI-FQEVSTJZSA-N 1 0 348.462 2.992 50 0 EFAARO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1coc(COc2ccccc2)n1 ZINC000014953187 471883376 /nfs/dbraw/zinc/88/33/76/471883376.db2.gz PGFPCLZHLAGHRA-OAHLLOKOSA-N 1 0 343.427 2.667 50 0 EFAARO CC(C)(C)C[N@@H+]1CCC[C@@H](n2cc(C(=O)NC3CCCC3)nn2)C1 ZINC000014976885 471883770 /nfs/dbraw/zinc/88/37/70/471883770.db2.gz HIONOLBCLJUIIY-OAHLLOKOSA-N 1 0 333.480 2.634 50 0 EFAARO COc1ccccc1OCC(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000015831516 471919103 /nfs/dbraw/zinc/91/91/03/471919103.db2.gz IMWZQFQAQFQFGN-KRWDZBQOSA-N 1 0 346.471 2.941 50 0 EFAARO O[C@H](C[NH2+]Cc1ccco1)CO[C@@H](Cc1ccccc1)C(F)(F)F ZINC000016158872 471927633 /nfs/dbraw/zinc/92/76/33/471927633.db2.gz JUUBTHRUOSUPHW-ZBFHGGJFSA-N 1 0 343.345 2.920 50 0 EFAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccc2c(c1)OCCO2 ZINC000016623853 471943955 /nfs/dbraw/zinc/94/39/55/471943955.db2.gz LEXZPVZERYIEBO-AWEZNQCLSA-N 1 0 345.443 2.844 50 0 EFAARO Cc1ccccc1N1C(=O)C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C1=O ZINC000018223087 471973687 /nfs/dbraw/zinc/97/36/87/471973687.db2.gz NAZXLVXYURPGGE-SFHVURJKSA-N 1 0 347.418 2.941 50 0 EFAARO O=C1C[C@H]([NH2+]CCc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000018285239 471974543 /nfs/dbraw/zinc/97/45/43/471974543.db2.gz YRNOTNUMPVVDCG-INIZCTEOSA-N 1 0 346.789 2.943 50 0 EFAARO CC(C)c1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)[nH]n1 ZINC000019228159 471978755 /nfs/dbraw/zinc/97/87/55/471978755.db2.gz FGANKNDRFDJEHC-SFHVURJKSA-N 1 0 334.508 2.734 50 0 EFAARO O=C(O[C@@H]1C[NH+]2CCC1CC2)C(O)(c1cccs1)c1cccs1 ZINC000033823820 471986625 /nfs/dbraw/zinc/98/66/25/471986625.db2.gz GYDFTKNRHZMENP-CYBMUJFWSA-N 1 0 349.477 2.683 50 0 EFAARO O=C(O[C@H]1C[NH+]2CCC1CC2)C(O)(c1cccs1)c1cccs1 ZINC000033823821 471986973 /nfs/dbraw/zinc/98/69/73/471986973.db2.gz GYDFTKNRHZMENP-ZDUSSCGKSA-N 1 0 349.477 2.683 50 0 EFAARO C[NH2+]Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1 ZINC000034842823 471991412 /nfs/dbraw/zinc/99/14/12/471991412.db2.gz BFDBKMOZYNOTPK-UHFFFAOYSA-N 1 0 345.399 2.646 50 0 investigational EFAARO Cc1ccc(N2CCN(C(=O)CC[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000020600629 471992984 /nfs/dbraw/zinc/99/29/84/471992984.db2.gz LKWOTSOHEJWLCI-GOSISDBHSA-N 1 0 329.488 2.766 50 0 EFAARO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000020997779 471995324 /nfs/dbraw/zinc/99/53/24/471995324.db2.gz YBMBSPLNWYILNJ-SFHVURJKSA-N 1 0 329.488 2.834 50 0 EFAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(CCO)CC3)ccc21 ZINC000022027623 472008764 /nfs/dbraw/zinc/00/87/64/472008764.db2.gz ROINZYPBGIUPJP-UHFFFAOYSA-N 1 0 337.467 2.924 50 0 EFAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000022913083 472023859 /nfs/dbraw/zinc/02/38/59/472023859.db2.gz KSRJNUVGJPLLHN-SFHVURJKSA-N 1 0 331.504 2.938 50 0 EFAARO Fc1ccc(N2CCN([C@@H]3CCC[N@@H+](C4CCOCC4)C3)CC2)cc1 ZINC000023374370 472032109 /nfs/dbraw/zinc/03/21/09/472032109.db2.gz UQHRVFCISPEFIT-HXUWFJFHSA-N 1 0 347.478 2.591 50 0 EFAARO c1cnn(-c2ccc(N3CCC([NH2+]C[C@H]4CCCCO4)CC3)cc2)c1 ZINC000023431378 472032578 /nfs/dbraw/zinc/03/25/78/472032578.db2.gz UGAYYKMQHSCVPD-HXUWFJFHSA-N 1 0 340.471 3.000 50 0 EFAARO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000041625428 472074485 /nfs/dbraw/zinc/07/44/85/472074485.db2.gz CHXLPYXHHRXTSE-MRXNPFEDSA-N 1 0 338.517 2.745 50 0 EFAARO Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H](CNS(C)(=O)=O)C2)o1 ZINC000067724796 472079784 /nfs/dbraw/zinc/07/97/84/472079784.db2.gz ORCMHWHCYKFOLX-HNNXBMFYSA-N 1 0 348.468 2.626 50 0 EFAARO CC(C)c1n[nH]c2c1CN(c1nc(CC[NH3+])nc3ccccc31)CC2 ZINC000067804935 472091951 /nfs/dbraw/zinc/09/19/51/472091951.db2.gz PNWHXXDQVDTMDJ-UHFFFAOYSA-N 1 0 336.443 2.540 50 0 EFAARO COc1cccc(C(=O)NC2CC[NH+](Cc3c(C)noc3C)CC2)c1 ZINC000042155626 472118592 /nfs/dbraw/zinc/11/85/92/472118592.db2.gz UXNGXSPIJVAHEJ-UHFFFAOYSA-N 1 0 343.427 2.694 50 0 EFAARO CCc1oc(C(=O)N[C@@H](C)c2nncn2CC)cc1C[NH+](CC)CC ZINC000055054458 472135776 /nfs/dbraw/zinc/13/57/76/472135776.db2.gz STEISQJKNIKSPF-ZDUSSCGKSA-N 1 0 347.463 2.786 50 0 EFAARO CCc1oc(C(=O)N[C@H](C)c2nncn2CC)cc1C[NH+](CC)CC ZINC000055054461 472135904 /nfs/dbraw/zinc/13/59/04/472135904.db2.gz STEISQJKNIKSPF-CYBMUJFWSA-N 1 0 347.463 2.786 50 0 EFAARO CN1CC[NH+](C2(CNC(=O)c3ccccc3F)CCCCC2)CC1 ZINC000027742163 472193484 /nfs/dbraw/zinc/19/34/84/472193484.db2.gz MDWCPACPLZVTBG-UHFFFAOYSA-N 1 0 333.451 2.506 50 0 EFAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCN(C)CC2)c2c1cccc2Cl ZINC000028296737 472221377 /nfs/dbraw/zinc/22/13/77/472221377.db2.gz JFXPTKAKYXPXSM-HNNXBMFYSA-N 1 0 335.879 2.520 50 0 EFAARO O=C(NCc1ccccc1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085473239 472252769 /nfs/dbraw/zinc/25/27/69/472252769.db2.gz IQLBPCOTOQXNPZ-KRWDZBQOSA-N 1 0 333.501 2.800 50 0 EFAARO O=C(NCc1ccccc1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473241 472253202 /nfs/dbraw/zinc/25/32/02/472253202.db2.gz IQLBPCOTOQXNPZ-QGZVFWFLSA-N 1 0 333.501 2.800 50 0 EFAARO CCn1nc(C)c(CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1C ZINC000085878620 472269594 /nfs/dbraw/zinc/26/95/94/472269594.db2.gz FGZPHACICUZMAI-PKOBYXMFSA-N 1 0 346.519 2.833 50 0 biogenic EFAARO COc1ccccc1-n1cc(CN2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC000097099499 472446397 /nfs/dbraw/zinc/44/63/97/472446397.db2.gz UGCKVODDWNYSQX-KRWDZBQOSA-N 1 0 328.460 2.797 50 0 EFAARO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH2+]CC1 ZINC000032628049 472447789 /nfs/dbraw/zinc/44/77/89/472447789.db2.gz LVMWOQVRBSZMDQ-SNVBAGLBSA-N 1 0 326.322 2.722 50 0 EFAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1ccc(OCc3cccnc3)cc1)CC2 ZINC000097199419 472474530 /nfs/dbraw/zinc/47/45/30/472474530.db2.gz DBXMLORGPCSSGR-SFHVURJKSA-N 1 0 349.438 2.665 50 0 EFAARO CCc1nnc2n1C[C@H]([NH2+]Cc1csc(Br)c1)CC2 ZINC000097199578 472474599 /nfs/dbraw/zinc/47/45/99/472474599.db2.gz DPBKSWTUZIMMEF-SNVBAGLBSA-N 1 0 341.278 2.769 50 0 EFAARO CCn1c2ccccc2nc1C[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000097199473 472475109 /nfs/dbraw/zinc/47/51/09/472475109.db2.gz WLCGWMDUKICYMA-AWEZNQCLSA-N 1 0 338.459 2.876 50 0 EFAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1ccc(OCc3ccccn3)cc1)CC2 ZINC000097199427 472475396 /nfs/dbraw/zinc/47/53/96/472475396.db2.gz DNMOOSQGDRBVGL-KRWDZBQOSA-N 1 0 349.438 2.665 50 0 EFAARO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200601 472476217 /nfs/dbraw/zinc/47/62/17/472476217.db2.gz XTAACWJUSHVDJG-LSDHHAIUSA-N 1 0 344.484 2.582 50 0 EFAARO Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)NC3CCCC3)C2)n1 ZINC000097200552 472477947 /nfs/dbraw/zinc/47/79/47/472477947.db2.gz HQWKBSZMRIXGFR-MRXNPFEDSA-N 1 0 330.476 2.573 50 0 EFAARO Cc1csc(NC(=O)CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000097200937 472478671 /nfs/dbraw/zinc/47/86/71/472478671.db2.gz HBYIGMZPSBPRQL-AWEZNQCLSA-N 1 0 345.472 2.527 50 0 EFAARO C[N@H+](Cc1cc(-c2cccnc2)no1)[C@H]1CCOC2(CCOCC2)C1 ZINC000077300748 472496872 /nfs/dbraw/zinc/49/68/72/472496872.db2.gz ZHTDHSUBYOUZCY-INIZCTEOSA-N 1 0 343.427 2.897 50 0 EFAARO COCC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077300415 472496975 /nfs/dbraw/zinc/49/69/75/472496975.db2.gz BEYHXNNZPJNAJG-FQEVSTJZSA-N 1 0 330.472 2.580 50 0 EFAARO Cc1nc(-c2cc3c(n(C)c2=O)CCCC3)n(-c2cc[nH+]c(C)c2)n1 ZINC000097679818 472504656 /nfs/dbraw/zinc/50/46/56/472504656.db2.gz UXKJEDBGCJDKBQ-UHFFFAOYSA-N 1 0 335.411 2.524 50 0 EFAARO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@H]2CO ZINC000097758975 472507107 /nfs/dbraw/zinc/50/71/07/472507107.db2.gz XKJXXKAAKCOIQB-PXNSSMCTSA-N 1 0 346.471 2.738 50 0 EFAARO Cn1ccnc1C(=O)[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000077389098 472518722 /nfs/dbraw/zinc/51/87/22/472518722.db2.gz AUMBZQRGMAGJEO-KRWDZBQOSA-N 1 0 349.438 2.701 50 0 EFAARO O=C1C[C@]2(CC[N@H+](CC(c3ccccc3)c3ccccc3)C2)C(=O)N1 ZINC000077392656 472519094 /nfs/dbraw/zinc/51/90/94/472519094.db2.gz FETFCZSIHXFYTP-NRFANRHFSA-N 1 0 334.419 2.557 50 0 EFAARO O=C1C[C@@]2(CC[N@H+](CC(c3ccccc3)c3ccccc3)C2)C(=O)N1 ZINC000077392658 472519108 /nfs/dbraw/zinc/51/91/08/472519108.db2.gz FETFCZSIHXFYTP-OAQYLSRUSA-N 1 0 334.419 2.557 50 0 EFAARO Fc1ccccc1C[N@@H+]1CCCN(c2ncnc3[nH]ccc32)CC1 ZINC000077407422 472521648 /nfs/dbraw/zinc/52/16/48/472521648.db2.gz VJRRECRLDCOTAX-UHFFFAOYSA-N 1 0 325.391 2.809 50 0 EFAARO CCCCN1C[C@@]2(CCC[N@H+](Cc3cn(C)nc3C)C2)CCC1=O ZINC000077419892 472524591 /nfs/dbraw/zinc/52/45/91/472524591.db2.gz APAZMUQJCYMGJG-IBGZPJMESA-N 1 0 332.492 2.733 50 0 EFAARO c1cnn(Cc2ccccc2C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000077420267 472524836 /nfs/dbraw/zinc/52/48/36/472524836.db2.gz VEHLYEPJJIBDGZ-IBGZPJMESA-N 1 0 341.455 2.749 50 0 EFAARO C/C=C(\C)C[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077425694 472526217 /nfs/dbraw/zinc/52/62/17/472526217.db2.gz OIVSJDLRRMYULS-WYLMYDOGSA-N 1 0 342.487 2.956 50 0 EFAARO O=C1CC[C@@]2(CCC[N@H+](CCOc3ccccc3)C2)CN1C1CC1 ZINC000077439509 472526943 /nfs/dbraw/zinc/52/69/43/472526943.db2.gz AXPUAWYEUHSDFV-HXUWFJFHSA-N 1 0 328.456 2.932 50 0 EFAARO C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058267241 472529285 /nfs/dbraw/zinc/52/92/85/472529285.db2.gz BAVTXAOQMXAFGP-HNNXBMFYSA-N 1 0 338.455 2.957 50 0 EFAARO O[C@@]1(C[NH+]2CCCCC2)CCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000077454629 472529472 /nfs/dbraw/zinc/52/94/72/472529472.db2.gz NICMQPOPNPWFAR-OAHLLOKOSA-N 1 0 329.366 2.528 50 0 EFAARO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2ccc3cccc(F)c3n2)C1 ZINC000077457889 472531095 /nfs/dbraw/zinc/53/10/95/472531095.db2.gz LDHMDKJNQCRLPF-FQEVSTJZSA-N 1 0 343.446 2.797 50 0 EFAARO Cc1cccc(C)c1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000077488332 472537207 /nfs/dbraw/zinc/53/72/07/472537207.db2.gz YGESRPJIGKOEDT-FQEVSTJZSA-N 1 0 330.472 2.500 50 0 EFAARO C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000058298979 472540662 /nfs/dbraw/zinc/54/06/62/472540662.db2.gz HKJPHUTUMOTLJF-QFBILLFUSA-N 1 0 335.492 2.650 50 0 EFAARO Cc1ncncc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077505589 472540725 /nfs/dbraw/zinc/54/07/25/472540725.db2.gz GHQRERBRXPBIKI-UHFFFAOYSA-N 1 0 338.455 2.566 50 0 EFAARO Cc1cc(N2CCCCC2)nc2sc3c(ncnc3NCC[NH3+])c21 ZINC000071279250 472545836 /nfs/dbraw/zinc/54/58/36/472545836.db2.gz ZWSSVZQKQPYYML-UHFFFAOYSA-N 1 0 342.472 2.909 50 0 EFAARO c1ncn(C2CCCC2)c1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000077520429 472546581 /nfs/dbraw/zinc/54/65/81/472546581.db2.gz SRUYTCWVQYGBTB-GOSISDBHSA-N 1 0 332.492 2.685 50 0 EFAARO Cc1nccn1-c1ccccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000077539390 472550576 /nfs/dbraw/zinc/55/05/76/472550576.db2.gz OQGUHUYBOLXODO-SFHVURJKSA-N 1 0 341.455 2.999 50 0 EFAARO CC(C)[C@H]1CN(C(=O)COc2ccccc2O)CCC[N@@H+]1CC1CC1 ZINC000071681384 472554653 /nfs/dbraw/zinc/55/46/53/472554653.db2.gz GAYCETUNZMWJQR-QGZVFWFLSA-N 1 0 346.471 2.740 50 0 EFAARO CC(C)OCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071638963 472555164 /nfs/dbraw/zinc/55/51/64/472555164.db2.gz XQHKHOPNBNJJTI-DFQSSKMNSA-N 1 0 328.456 2.500 50 0 EFAARO CN(C)c1nccnc1-c1cc(O)cc(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000071721558 472556235 /nfs/dbraw/zinc/55/62/35/472556235.db2.gz WPZNNVPZUHTIIU-INIZCTEOSA-N 1 0 326.444 2.990 50 0 EFAARO COCCC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071735595 472556262 /nfs/dbraw/zinc/55/62/62/472556262.db2.gz XGNWXTOPZGZXIZ-SFHVURJKSA-N 1 0 336.451 2.921 50 0 EFAARO FC(F)(F)[C@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000071730654 472556710 /nfs/dbraw/zinc/55/67/10/472556710.db2.gz RBKBWAZSDSYROT-MRXNPFEDSA-N 1 0 328.378 2.914 50 0 EFAARO CO[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2)CC[C@H]1[NH3+] ZINC000071749564 472558829 /nfs/dbraw/zinc/55/88/29/472558829.db2.gz LRSPRFBQYGNPOT-AEFFLSMTSA-N 1 0 326.396 2.667 50 0 EFAARO O=C(C[NH+]1CCCCC1)N1CCO[C@@H](CCCc2ccccc2)C1 ZINC000071753810 472560338 /nfs/dbraw/zinc/56/03/38/472560338.db2.gz MXOYXCKIMKZHGM-IBGZPJMESA-N 1 0 330.472 2.723 50 0 EFAARO C[N@@H+]1CC[C@H](Cn2ccnc2-c2cnc(NCc3ccccc3)nc2)C1 ZINC000071759356 472562006 /nfs/dbraw/zinc/56/20/06/472562006.db2.gz JXDPSUYHKHVEDA-KRWDZBQOSA-N 1 0 348.454 2.904 50 0 EFAARO Cc1ccc(-c2ccnc(NCC3([NH+](C)C)CCOCC3)n2)c(C)n1 ZINC000071764515 472563112 /nfs/dbraw/zinc/56/31/12/472563112.db2.gz LSBLMNMVLFCTOR-UHFFFAOYSA-N 1 0 341.459 2.678 50 0 EFAARO Fc1cccc([C@@H]2CN(c3ncccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1F ZINC000072161087 472632271 /nfs/dbraw/zinc/63/22/71/472632271.db2.gz OOJNUOXCDBNCEB-BMGDILEWSA-N 1 0 342.393 2.821 50 0 EFAARO Cc1ccsc1[C@H](CNc1nc(C)nc2c1cnn2C)[NH+](C)C ZINC000072163521 472633391 /nfs/dbraw/zinc/63/33/91/472633391.db2.gz HOUDDKCIMNDYIO-ZDUSSCGKSA-N 1 0 330.461 2.756 50 0 EFAARO CC(C)c1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000091254385 472749693 /nfs/dbraw/zinc/74/96/93/472749693.db2.gz GFGPVUWAWGNVNL-WOJBJXKFSA-N 1 0 344.499 2.976 50 0 EFAARO Cc1ccc(-c2cc(C(=O)NCCNc3cc[nH+]cc3C)[nH]n2)o1 ZINC000091326505 472757826 /nfs/dbraw/zinc/75/78/26/472757826.db2.gz BRLCGRSHGLQFPT-UHFFFAOYSA-N 1 0 325.372 2.523 50 0 EFAARO Cc1nonc1C[N@@H+]1CC[C@@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091350938 472759340 /nfs/dbraw/zinc/75/93/40/472759340.db2.gz OLRMYHRKHZXXRB-GOSISDBHSA-N 1 0 332.448 2.525 50 0 EFAARO COCCC[C@@]1(CO)CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000091364781 472759985 /nfs/dbraw/zinc/75/99/85/472759985.db2.gz OPCJVZKBNPFUGA-SFHVURJKSA-N 1 0 325.424 2.706 50 0 EFAARO Cc1c2ccc(C)cc2oc1C(=O)N1CCOC[C@@H](C[NH+](C)C)C1 ZINC000091644629 472788908 /nfs/dbraw/zinc/78/89/08/472788908.db2.gz ZAPVVWRKKVPDQC-HNNXBMFYSA-N 1 0 330.428 2.700 50 0 EFAARO CCc1oc(C(=O)N2CC[C@](C)(O)[C@H](C)C2)cc1C[NH+](CC)CC ZINC000091636823 472789506 /nfs/dbraw/zinc/78/95/06/472789506.db2.gz QNGLYBNGGYMLBN-KUHUBIRLSA-N 1 0 336.476 2.917 50 0 EFAARO O=C(CSc1ccc(F)cc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000121048265 472789729 /nfs/dbraw/zinc/78/97/29/472789729.db2.gz AEVUNRDAXXONOY-OAHLLOKOSA-N 1 0 332.400 2.993 50 0 EFAARO CC1(C)C[N@H+](CCC(=O)NCc2cccc(Cl)c2)CC[C@]1(C)O ZINC000091829180 472812911 /nfs/dbraw/zinc/81/29/11/472812911.db2.gz HXAFVPXOQVQCKT-SFHVURJKSA-N 1 0 338.879 2.829 50 0 EFAARO COCC[N@@H+]1CC[C@H](C(=O)N(C)Cc2ccccc2OCC(C)C)C1 ZINC000063835568 472818535 /nfs/dbraw/zinc/81/85/35/472818535.db2.gz FWKNPDLAEPZWFR-SFHVURJKSA-N 1 0 348.487 2.648 50 0 EFAARO CCCCc1cc(=O)[nH]c(-c2ccc(CN3CC[NH+](C)CC3)cc2)n1 ZINC000048140009 472819894 /nfs/dbraw/zinc/81/98/94/472819894.db2.gz RAYJDAHRKOJYRB-UHFFFAOYSA-N 1 0 340.471 2.527 50 0 EFAARO O=C(c1cnccn1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106580859 472869208 /nfs/dbraw/zinc/86/92/08/472869208.db2.gz VQTCXFOWUHAMCB-RBUKOAKNSA-N 1 0 336.439 2.746 50 0 EFAARO O=C([C@@H]1CCCO1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106638367 472875412 /nfs/dbraw/zinc/87/54/12/472875412.db2.gz PEQFSIVACLVVNV-QRVBRYPASA-N 1 0 328.456 2.821 50 0 EFAARO O=C1NCCN1C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000064953431 472887742 /nfs/dbraw/zinc/88/77/42/472887742.db2.gz RUQVNRZZVOYEMF-UHFFFAOYSA-N 1 0 339.439 2.708 50 0 EFAARO CCCc1cnc(C)nc1N1CC[N@@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000106970041 472919805 /nfs/dbraw/zinc/91/98/05/472919805.db2.gz TUTQGAGFZZTQTQ-IBGZPJMESA-N 1 0 346.519 2.943 50 0 EFAARO O=C(C[NH2+]CCc1nc2c(s1)CCC2)NC1CCCCCCC1 ZINC000065371042 472927927 /nfs/dbraw/zinc/92/79/27/472927927.db2.gz WLFHMDBKAQTSQI-UHFFFAOYSA-N 1 0 335.517 2.993 50 0 EFAARO Cc1ccc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000065372618 472928062 /nfs/dbraw/zinc/92/80/62/472928062.db2.gz ZDXZWVUGVCSYBA-UHFFFAOYSA-N 1 0 345.487 2.869 50 0 EFAARO Cc1ccccc1-c1noc(CCC(=O)N2CCC[C@H](CC[NH3+])C2)n1 ZINC000065372219 472928445 /nfs/dbraw/zinc/92/84/45/472928445.db2.gz SZLZBNDSXXMAOF-OAHLLOKOSA-N 1 0 342.443 2.565 50 0 EFAARO CNC(=O)C[C@@H](C)[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000065372858 472928785 /nfs/dbraw/zinc/92/87/85/472928785.db2.gz VZVROELHSWHPII-OAHLLOKOSA-N 1 0 339.439 2.895 50 0 EFAARO Cc1cc(C)n(C[C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2F)n1 ZINC000065380754 472930439 /nfs/dbraw/zinc/93/04/39/472930439.db2.gz HJUCUNIGUPUGBO-NSHDSACASA-N 1 0 338.814 2.909 50 0 EFAARO Cc1cc(C[C@@H](C)Nc2nc(CC[NH3+])nc3sc(C)c(C)c32)n[nH]1 ZINC000065395054 472932390 /nfs/dbraw/zinc/93/23/90/472932390.db2.gz LAEKGGWGDCDIJM-SECBINFHSA-N 1 0 344.488 2.884 50 0 EFAARO COc1ccccc1-c1cc(CNC(=O)C[NH+]2CCCCCC2)on1 ZINC000065394424 472933128 /nfs/dbraw/zinc/93/31/28/472933128.db2.gz UEOSYPSLNMJKRS-UHFFFAOYSA-N 1 0 343.427 2.842 50 0 EFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CC(=O)N2CCCc3cc(C)ccc32)n1 ZINC000065398821 472934341 /nfs/dbraw/zinc/93/43/41/472934341.db2.gz ZDYAFLXXOHKELV-MRXNPFEDSA-N 1 0 340.471 2.766 50 0 EFAARO Cc1cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc2sc(N)nc21 ZINC000065404544 472934904 /nfs/dbraw/zinc/93/49/04/472934904.db2.gz AJWSPUOFJXTABN-UHFFFAOYSA-N 1 0 344.484 2.745 50 0 EFAARO CC(C)[N@@H+](Cc1coc2ccc(Cl)cc2c1=O)C[C@H]1CCC(=O)N1 ZINC000065404307 472935834 /nfs/dbraw/zinc/93/58/34/472935834.db2.gz YGKDCZPQBYDOGT-CQSZACIVSA-N 1 0 348.830 2.935 50 0 EFAARO Cc1nn(CCCNC(=O)C2CC[NH+](C(C)C)CC2)c(C)c1Cl ZINC000065408807 472936282 /nfs/dbraw/zinc/93/62/82/472936282.db2.gz RIKAMLFLSHOUDS-UHFFFAOYSA-N 1 0 340.899 2.780 50 0 EFAARO Cc1nc2c(c(N(C)Cc3cccc4cnccc43)n1)CC[NH2+]CC2 ZINC000065430284 472941143 /nfs/dbraw/zinc/94/11/43/472941143.db2.gz BWTXFFRPTNVFPM-UHFFFAOYSA-N 1 0 333.439 2.658 50 0 EFAARO CN(C)c1ccc(NC(=O)CCN2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000065430969 472941885 /nfs/dbraw/zinc/94/18/85/472941885.db2.gz XLXURJSBLUTOLD-IBGZPJMESA-N 1 0 344.503 2.641 50 0 EFAARO Cc1cc[nH+]c(NC[C@H]2CCN(Cc3nc(-c4ccco4)no3)C2)c1 ZINC000065449226 472944171 /nfs/dbraw/zinc/94/41/71/472944171.db2.gz DKLBZNBLSCLOTL-CQSZACIVSA-N 1 0 339.399 2.967 50 0 EFAARO CC[N@@H+](Cc1cccc(C(=O)Nc2cnccn2)c1)C[C@@H]1CCCO1 ZINC000065455465 472945592 /nfs/dbraw/zinc/94/55/92/472945592.db2.gz JLOBVUMARXJUCC-KRWDZBQOSA-N 1 0 340.427 2.730 50 0 EFAARO C[C@@H](NC(=O)CC[NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000065456291 472946135 /nfs/dbraw/zinc/94/61/35/472946135.db2.gz CKPGIDLKBTXPIF-CQSZACIVSA-N 1 0 326.396 2.772 50 0 EFAARO COc1cccc([C@@H](O)C[NH+]2CCN(c3cccc(OC)c3)CC2)c1 ZINC000049420893 472948027 /nfs/dbraw/zinc/94/80/27/472948027.db2.gz ATPVJQLPSKQNKJ-FQEVSTJZSA-N 1 0 342.439 2.559 50 0 EFAARO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000065477939 472952562 /nfs/dbraw/zinc/95/25/62/472952562.db2.gz ZZIQDQBOEYBTKD-IAGOWNOFSA-N 1 0 330.476 2.607 50 0 EFAARO CN(Cc1ccc2nsnc2c1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000065495056 472956021 /nfs/dbraw/zinc/95/60/21/472956021.db2.gz YKWQURMOFXNLJR-CQSZACIVSA-N 1 0 332.473 2.914 50 0 EFAARO C[NH+]1CCN(c2ncnc3ccc(-c4ccccc4CO)cc32)CC1 ZINC000065494478 472956338 /nfs/dbraw/zinc/95/63/38/472956338.db2.gz GBWDRXNGPUQDKU-UHFFFAOYSA-N 1 0 334.423 2.541 50 0 EFAARO CC(C)Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000065499852 472957038 /nfs/dbraw/zinc/95/70/38/472957038.db2.gz SDHHYTCUTQGCHA-INIZCTEOSA-N 1 0 327.428 2.877 50 0 EFAARO Cc1cc(N[C@H](c2cccnc2)C(C)C)nc(N2CCOCC2)[nH+]1 ZINC000065504018 472959047 /nfs/dbraw/zinc/95/90/47/472959047.db2.gz YLDRGZJPXOIREN-KRWDZBQOSA-N 1 0 327.432 2.826 50 0 EFAARO O[C@H](COCc1ccccc1Cl)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000065512253 472961129 /nfs/dbraw/zinc/96/11/29/472961129.db2.gz FSYCLVISJYQDLG-INIZCTEOSA-N 1 0 349.862 2.820 50 0 EFAARO CN(Cc1ccc2nonc2c1)C(=O)C1([NH+]2CCCC2)CCCC1 ZINC000065531167 472968396 /nfs/dbraw/zinc/96/83/96/472968396.db2.gz KOKXRUXKLGVBBW-UHFFFAOYSA-N 1 0 328.416 2.590 50 0 EFAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1cc(Cl)c3c(c1)OCCCO3)CC2 ZINC000065538570 472970998 /nfs/dbraw/zinc/97/09/98/472970998.db2.gz CGGSCSCEYSXXIQ-ZDUSSCGKSA-N 1 0 348.834 2.506 50 0 EFAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1ccccc1OCc1cccnc1)CC2 ZINC000065563811 472976888 /nfs/dbraw/zinc/97/68/88/472976888.db2.gz NHEIYPTVXKQPJR-SFHVURJKSA-N 1 0 349.438 2.665 50 0 EFAARO Cc1cc(CN2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)ccc1F ZINC000108257561 473010056 /nfs/dbraw/zinc/01/00/56/473010056.db2.gz CTTRXWWDOUUWLN-LJQANCHMSA-N 1 0 328.431 2.813 50 0 EFAARO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000052593402 473130482 /nfs/dbraw/zinc/13/04/82/473130482.db2.gz SVOLRNHYSVUXCJ-GOSISDBHSA-N 1 0 345.487 2.862 50 0 EFAARO CC[C@H]1CN(C(=O)c2nc3ccc(C)cn3c2F)CC[N@@H+]1C(C)C ZINC000095379696 473193500 /nfs/dbraw/zinc/19/35/00/473193500.db2.gz CLGMVOWXWZDJFP-AWEZNQCLSA-N 1 0 332.423 2.727 50 0 EFAARO Cc1cc(Cl)cc2c(N3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)ccnc12 ZINC000095386775 473194857 /nfs/dbraw/zinc/19/48/57/473194857.db2.gz GKBIZXIUFVINSF-UGSOOPFHSA-N 1 0 331.847 2.747 50 0 EFAARO Cc1nc(-c2ccc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2)n[nH]1 ZINC000114178138 473444869 /nfs/dbraw/zinc/44/48/69/473444869.db2.gz YGXAKARMEAQJCS-CYBMUJFWSA-N 1 0 327.432 2.983 50 0 EFAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccco2)n[nH]1 ZINC000169681011 473548162 /nfs/dbraw/zinc/54/81/62/473548162.db2.gz YSVKCYCPZSDEBP-BBRMVZONSA-N 1 0 328.416 2.664 50 0 EFAARO CN(Cc1cnccn1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000172267320 473564964 /nfs/dbraw/zinc/56/49/64/473564964.db2.gz RKRLULRWRAQWMP-UHFFFAOYSA-N 1 0 345.491 2.807 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000174436488 474041212 /nfs/dbraw/zinc/04/12/12/474041212.db2.gz VFSZAWCFVHJBHE-OAHLLOKOSA-N 1 0 341.459 2.565 50 0 EFAARO Cc1cc(C)nc(NC(=S)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000198405642 474112374 /nfs/dbraw/zinc/11/23/74/474112374.db2.gz ITLPIAAGIQAGRA-UHFFFAOYSA-N 1 0 327.457 2.612 50 0 in-vitro EFAARO C[N@@H+]1CCCC[C@H]1CC(=O)N(CCCO)Cc1ccc(Cl)cc1 ZINC000215069346 474138637 /nfs/dbraw/zinc/13/86/37/474138637.db2.gz XWXXWNINWKXQHS-KRWDZBQOSA-N 1 0 338.879 2.925 50 0 EFAARO CCOc1ccccc1CCCNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000220619529 474155325 /nfs/dbraw/zinc/15/53/25/474155325.db2.gz NQFDJTSKNVAAEJ-UHFFFAOYSA-N 1 0 341.459 2.707 50 0 EFAARO COc1cc(C(=O)N2CCN(c3cc(C)[nH+]c(C)c3)CC2)ccc1F ZINC000221246391 474159736 /nfs/dbraw/zinc/15/97/36/474159736.db2.gz CEVDFUGUXVONAB-UHFFFAOYSA-N 1 0 343.402 2.809 50 0 EFAARO O=C(NCC[NH+]1CCC(O)CC1)c1ccccc1Oc1ccccc1 ZINC000222380127 474167327 /nfs/dbraw/zinc/16/73/27/474167327.db2.gz XOLGXYWLGOENKI-UHFFFAOYSA-N 1 0 340.423 2.665 50 0 EFAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000222897636 474176448 /nfs/dbraw/zinc/17/64/48/474176448.db2.gz AQKPHEJEAUGIIJ-SJORKVTESA-N 1 0 340.423 2.616 50 0 EFAARO Nc1nc(NCCOCc2ccc(Cl)cc2)cc(C2CC(O)C2)[nH+]1 ZINC000223501525 474186263 /nfs/dbraw/zinc/18/62/63/474186263.db2.gz FNSBYZVYWDDEMO-UHFFFAOYSA-N 1 0 348.834 2.579 50 0 EFAARO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc(F)ccc1Cl ZINC000223703439 474189366 /nfs/dbraw/zinc/18/93/66/474189366.db2.gz IOLBIDFXMIMQBC-UHFFFAOYSA-N 1 0 340.826 2.852 50 0 EFAARO CSc1ncc(CN2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000223932064 474194089 /nfs/dbraw/zinc/19/40/89/474194089.db2.gz WJNRCNBMHBPJSO-UHFFFAOYSA-N 1 0 328.485 2.559 50 0 EFAARO O=C(Cc1ccsc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687382 474235336 /nfs/dbraw/zinc/23/53/36/474235336.db2.gz PNJJQCFDGLKBOA-SFHVURJKSA-N 1 0 326.465 2.950 50 0 EFAARO CCCOc1ccc(OCCN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000175501643 474237423 /nfs/dbraw/zinc/23/74/23/474237423.db2.gz WHNNOMBRXJRJCL-UHFFFAOYSA-N 1 0 348.487 2.651 50 0 EFAARO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)c(Cl)cc1C ZINC000230512461 474260473 /nfs/dbraw/zinc/26/04/73/474260473.db2.gz CYFODKLIDQSQTK-UHFFFAOYSA-N 1 0 339.288 2.922 50 0 EFAARO Cc1nnc([C@@H]2CCC[N@H+](Cc3cncn3Cc3ccccc3)C2)[nH]1 ZINC000244724474 474565261 /nfs/dbraw/zinc/56/52/61/474565261.db2.gz MUVSYXPRIZLVJP-QGZVFWFLSA-N 1 0 336.443 2.738 50 0 EFAARO CC[N@@H+](Cc1cn2cccc(C)c2n1)C[C@H](O)c1cccc(O)c1 ZINC000244734563 474565994 /nfs/dbraw/zinc/56/59/94/474565994.db2.gz NHZZKOPGNTUSMV-SFHVURJKSA-N 1 0 325.412 2.904 50 0 EFAARO O=C(Cc1cccnc1)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000244795204 474566157 /nfs/dbraw/zinc/56/61/57/474566157.db2.gz RBKZMTAXOQPBSJ-GOSISDBHSA-N 1 0 327.403 2.717 50 0 EFAARO Cc1c(F)cccc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](O)CC2)C1 ZINC000244788104 474566956 /nfs/dbraw/zinc/56/69/56/474566956.db2.gz QJKXLSFRIWAHJP-NUJGCVRESA-N 1 0 348.462 2.623 50 0 EFAARO c1ccc(-c2nnc(CN3CCC([NH+]4CCSCC4)CC3)o2)cc1 ZINC000244795396 474567044 /nfs/dbraw/zinc/56/70/44/474567044.db2.gz RFPUJMZTMLVLIF-UHFFFAOYSA-N 1 0 344.484 2.750 50 0 EFAARO C(C[N@@H+]1C[C@H]2CC[C@@H]1C2)N1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000244894078 474568892 /nfs/dbraw/zinc/56/88/92/474568892.db2.gz YZNGXHNBVCVYGJ-DOTOQJQBSA-N 1 0 330.476 2.686 50 0 EFAARO Cc1nccn1CCC[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000252478173 474664714 /nfs/dbraw/zinc/66/47/14/474664714.db2.gz AFDGSOPJLDPBJW-LJQANCHMSA-N 1 0 325.412 2.692 50 0 EFAARO COc1coc(C[N@@H+]2CCCC[C@@H]2CCn2ccnc2C)cc1=O ZINC000252494892 474679074 /nfs/dbraw/zinc/67/90/74/474679074.db2.gz OHLUQPWGXXDGEN-OAHLLOKOSA-N 1 0 331.416 2.598 50 0 EFAARO CN(CC(=O)Nc1ccc(Cl)cn1)C[C@H]1Cc2ccccc2O1 ZINC000252507766 474685111 /nfs/dbraw/zinc/68/51/11/474685111.db2.gz WTPGAKKLCDWLCF-CQSZACIVSA-N 1 0 331.803 2.609 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2cncn2C2CCCCC2)C[C@H]1CCO ZINC000252509476 474686823 /nfs/dbraw/zinc/68/68/23/474686823.db2.gz YOMXKHWOOZQTQH-LJQANCHMSA-N 1 0 348.535 2.913 50 0 EFAARO CN(Cc1cc2cc(F)ccc2[nH]1)c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000252550391 474696007 /nfs/dbraw/zinc/69/60/07/474696007.db2.gz SNDFGCSEUCMUBN-VDISTLRHSA-N 1 0 341.390 2.554 50 0 EFAARO CN(Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1)Cc1ccccc1F ZINC000252572178 474697498 /nfs/dbraw/zinc/69/74/98/474697498.db2.gz YWVAWPQXZFSSCT-HDJSIYSDSA-N 1 0 329.423 2.589 50 0 EFAARO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]n1 ZINC000299754478 476150820 /nfs/dbraw/zinc/15/08/20/476150820.db2.gz VPXZLXSEMWRTJR-QAPCUYQASA-N 1 0 332.492 2.945 50 0 biogenic EFAARO CC(C)c1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ncn1 ZINC000390909865 476807618 /nfs/dbraw/zinc/80/76/18/476807618.db2.gz VOEHKVGSKFWELE-SFHVURJKSA-N 1 0 340.471 3.303 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2cnc(N)c(C)c2)c1 ZINC000426370897 477706383 /nfs/dbraw/zinc/70/63/83/477706383.db2.gz BSLUOSYOVLFNAI-GOSISDBHSA-N 1 0 338.455 2.853 50 0 EFAARO O=C(NCCc1ccc(Cl)cc1Cl)NCC[C@@H]1CCC[NH2+]1 ZINC000426407463 477706725 /nfs/dbraw/zinc/70/67/25/477706725.db2.gz AVQKNUWPDFHGGZ-ZDUSSCGKSA-N 1 0 330.259 2.977 50 0 EFAARO COc1cccnc1-c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000426526037 477713483 /nfs/dbraw/zinc/71/34/83/477713483.db2.gz JJGCDYYTAXSEPU-UHFFFAOYSA-N 1 0 339.439 2.973 50 0 EFAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2cncc(F)c2)C1 ZINC000426547550 477718792 /nfs/dbraw/zinc/71/87/92/477718792.db2.gz DZQRMBKBHJGUOD-HNNXBMFYSA-N 1 0 327.403 2.748 50 0 EFAARO Nc1cccnc1-c1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000426551105 477720491 /nfs/dbraw/zinc/72/04/91/477720491.db2.gz LBXNQMQVFQWIFQ-KRWDZBQOSA-N 1 0 336.439 2.641 50 0 EFAARO CCN(CCc1nc2ccccc2[nH]1)C(=O)NCCC[NH+]1CCCC1 ZINC000426593772 477723065 /nfs/dbraw/zinc/72/30/65/477723065.db2.gz MSECIZOXMQBORW-UHFFFAOYSA-N 1 0 343.475 2.623 50 0 EFAARO CC(C)[NH+]1CCC2(CC[C@@H](CNC(=O)CCc3ccncc3)O2)CC1 ZINC000426589750 477723569 /nfs/dbraw/zinc/72/35/69/477723569.db2.gz IZIBOZRZLZJDFO-SFHVURJKSA-N 1 0 345.487 2.552 50 0 EFAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc(-c3cncnc3)c2)C1 ZINC000426589964 477724000 /nfs/dbraw/zinc/72/40/00/477724000.db2.gz LCFZEOZGQYRLIZ-HNNXBMFYSA-N 1 0 336.439 2.842 50 0 EFAARO Cc1cccnc1C[C@@H](C)N(C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000426613616 477726293 /nfs/dbraw/zinc/72/62/93/477726293.db2.gz JUROGFPXKQLEIG-MRXNPFEDSA-N 1 0 332.492 2.694 50 0 EFAARO CSC[C@@H]1CCCN(C(=O)c2ccc(C)cc2OCCC[NH3+])C1 ZINC000426622905 477727487 /nfs/dbraw/zinc/72/74/87/477727487.db2.gz HPDGRJKEACONNL-OAHLLOKOSA-N 1 0 336.501 2.938 50 0 EFAARO Cc1cc(CN(C)C(=O)NC[C@H](c2sccc2C)[NH+](C)C)on1 ZINC000534581060 478160256 /nfs/dbraw/zinc/16/02/56/478160256.db2.gz UNLTWRPGIQOGMZ-CQSZACIVSA-N 1 0 336.461 2.797 50 0 EFAARO C[C@@H](CNC(=O)N(C)Cc1cnc2ccccc2c1)[NH+]1CCCC1 ZINC000534588854 478160930 /nfs/dbraw/zinc/16/09/30/478160930.db2.gz GYFCRUAODQHXGZ-HNNXBMFYSA-N 1 0 326.444 2.861 50 0 EFAARO CC[C@@H](C[NH+](C)C)NC(=O)N1CCC(c2ccccc2OC)CC1 ZINC000534588894 478161264 /nfs/dbraw/zinc/16/12/64/478161264.db2.gz OABCBHVDKVGWRB-INIZCTEOSA-N 1 0 333.476 2.924 50 0 EFAARO Cc1cccc(OC2CN(C(=O)NCC3(C[NH+]4CCCC4)CC3)C2)c1 ZINC000534588270 478161390 /nfs/dbraw/zinc/16/13/90/478161390.db2.gz OPTSIGRDWPYQEX-UHFFFAOYSA-N 1 0 343.471 2.644 50 0 EFAARO Cc1ccccc1[C@H](CNC(=O)N(C)CC1CCOCC1)[NH+](C)C ZINC000534632396 478163658 /nfs/dbraw/zinc/16/36/58/478163658.db2.gz AEIDRGLCAJIGOQ-SFHVURJKSA-N 1 0 333.476 2.666 50 0 EFAARO Cc1cc(C)n(-c2cccc(CN(C)C(=O)NC[C@@H](C)[NH+](C)C)c2)n1 ZINC000534631038 478163670 /nfs/dbraw/zinc/16/36/70/478163670.db2.gz IZKDUSFACOPLIT-MRXNPFEDSA-N 1 0 343.475 2.581 50 0 EFAARO O=C(c1ccc(C[NH2+]C2CSCCSC2)cc1)N1CCCC1 ZINC000534642241 478164489 /nfs/dbraw/zinc/16/44/89/478164489.db2.gz SWQZWCCKKFWESF-UHFFFAOYSA-N 1 0 336.526 2.861 50 0 EFAARO CC[NH+](CC)CC1(NC(=O)N(C)Cc2nc3cc(C)ccc3[nH]2)CC1 ZINC000534645379 478165950 /nfs/dbraw/zinc/16/59/50/478165950.db2.gz IFQWCVAYUMEFKH-UHFFFAOYSA-N 1 0 343.475 2.887 50 0 EFAARO Cc1nc2sccc2c(-c2ccc(C(=O)NCC[NH+](C)C)cc2)n1 ZINC000534644778 478166038 /nfs/dbraw/zinc/16/60/38/478166038.db2.gz SXTSNTDAIZWQGA-UHFFFAOYSA-N 1 0 340.452 2.958 50 0 EFAARO Cc1ccccc1[C@@H](CNC(=O)N1CCOCC1)[NH+]1CCC(C)CC1 ZINC000534652177 478166501 /nfs/dbraw/zinc/16/65/01/478166501.db2.gz PWEKBLKIUQOUOL-LJQANCHMSA-N 1 0 345.487 2.810 50 0 EFAARO CC(C)(C)c1noc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000534673104 478168166 /nfs/dbraw/zinc/16/81/66/478168166.db2.gz XAXQGBXRSKNXMU-UHFFFAOYSA-N 1 0 349.479 2.527 50 0 EFAARO CC(C)(C)OC(=O)N1CCC[C@@](CO)(C[NH2+]Cc2ccccc2)C1 ZINC000601012340 478614089 /nfs/dbraw/zinc/61/40/89/478614089.db2.gz ADOIPPNNKCCKBZ-LJQANCHMSA-N 1 0 334.460 2.786 50 0 EFAARO O=C(CCc1cc(Cl)no1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000503908700 478848289 /nfs/dbraw/zinc/84/82/89/478848289.db2.gz NPMQPPQFHYFFTO-TZMCWYRMSA-N 1 0 325.840 2.641 50 0 EFAARO O=c1c2c(F)cccc2ncn1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000584889797 479272973 /nfs/dbraw/zinc/27/29/73/479272973.db2.gz TWSSGBPUIHWWCR-OAHLLOKOSA-N 1 0 327.359 2.966 50 0 EFAARO COc1cccc(CCCNC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000584891111 479273489 /nfs/dbraw/zinc/27/34/89/479273489.db2.gz DWKFRXCAZIJQDO-KRWDZBQOSA-N 1 0 333.476 2.754 50 0 EFAARO CC[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(O)cc1 ZINC000584896184 479273792 /nfs/dbraw/zinc/27/37/92/479273792.db2.gz ALXCJQUMBPACKP-SFHVURJKSA-N 1 0 340.427 2.770 50 0 EFAARO CN(Cc1[nH]nc2c1CCCCC2)C(=O)NCCC[NH+]1CCCCC1 ZINC000584896681 479274516 /nfs/dbraw/zinc/27/45/16/479274516.db2.gz WWEWVCPDZBCWTN-UHFFFAOYSA-N 1 0 347.507 2.696 50 0 EFAARO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCC(=O)NC1CCCCCCC1 ZINC000584896971 479275007 /nfs/dbraw/zinc/27/50/07/479275007.db2.gz WZGFOIKIWRXSLN-IAGOWNOFSA-N 1 0 337.508 2.595 50 0 EFAARO Cc1cccc(C)c1OC1CN(C(=O)NCC[C@@H](C)[NH+]2CCCC2)C1 ZINC000584899630 479275381 /nfs/dbraw/zinc/27/53/81/479275381.db2.gz UHTMXSQKLYOSPN-QGZVFWFLSA-N 1 0 345.487 2.950 50 0 EFAARO CC[C@@H](Cn1ccnc1)[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC000584899147 479275408 /nfs/dbraw/zinc/27/54/08/479275408.db2.gz QYGGVBXDTGUIIQ-INIZCTEOSA-N 1 0 328.460 2.929 50 0 EFAARO CCOC(=O)N1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000584902975 479276317 /nfs/dbraw/zinc/27/63/17/479276317.db2.gz QIXKGMKBJNBIFL-QGZVFWFLSA-N 1 0 332.444 2.555 50 0 EFAARO CN1CC2(CCC1=O)CC[NH+]([C@H]1CCN(c3ccccc3)C1)CC2 ZINC000584901368 479276665 /nfs/dbraw/zinc/27/66/65/479276665.db2.gz YYTOVOZQJBJXSK-SFHVURJKSA-N 1 0 327.472 2.600 50 0 EFAARO CN(CCC12CC3CC(CC(C3)C1)C2)C(=O)C1(O)CC[NH+](C)CC1 ZINC000584901161 479276782 /nfs/dbraw/zinc/27/67/82/479276782.db2.gz JCNXOAVNNWLCLH-UHFFFAOYSA-N 1 0 334.504 2.508 50 0 EFAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N(C)Cc2cnc3ccccc3c2)C1 ZINC000584900469 479276931 /nfs/dbraw/zinc/27/69/31/479276931.db2.gz NFFNDNNLRIORKF-SFHVURJKSA-N 1 0 341.455 2.693 50 0 EFAARO CN1CC2(CCC1=O)CC[NH+]([C@@H]1CCN(c3ccccc3)C1)CC2 ZINC000584901367 479277322 /nfs/dbraw/zinc/27/73/22/479277322.db2.gz YYTOVOZQJBJXSK-GOSISDBHSA-N 1 0 327.472 2.600 50 0 EFAARO CC(=O)OC(C)(C)C(=O)NC[C@H](c1csc2ccccc21)[NH+](C)C ZINC000575622430 479459568 /nfs/dbraw/zinc/45/95/68/479459568.db2.gz YRBWZGLMLJLJFT-OAHLLOKOSA-N 1 0 348.468 2.962 50 0 EFAARO Cc1ccc(CCC(=O)N2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)cc1C ZINC000091270490 524288752 /nfs/dbraw/zinc/28/87/52/524288752.db2.gz PCYNAIHEOAYKGW-UXHICEINSA-N 1 0 346.515 2.787 50 0 EFAARO CC(C)Cn1cncc1CNC(=O)c1cccc(-c2c[nH+]ccc2N)c1 ZINC000426493160 534920252 /nfs/dbraw/zinc/92/02/52/534920252.db2.gz KHEDFGWCJUSEAP-UHFFFAOYSA-N 1 0 349.438 2.944 50 0 EFAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccc(F)c(Cl)c1 ZINC000244742184 535503711 /nfs/dbraw/zinc/50/37/11/535503711.db2.gz ODDKEMWZGNKTRP-LBPRGKRZSA-N 1 0 328.815 2.849 50 0 EFAARO CN(CCc1ccncc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000215517546 536411954 /nfs/dbraw/zinc/41/19/54/536411954.db2.gz RUPNQXKNFGZIDU-QGZVFWFLSA-N 1 0 327.428 2.588 50 0 EFAARO CN1CC[NH+](C[C@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000216075770 536415584 /nfs/dbraw/zinc/41/55/84/536415584.db2.gz NJEFHWMGFHLGOF-MRXNPFEDSA-N 1 0 339.886 2.939 50 0 EFAARO COc1ccc(C(=O)CCC(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000216040302 536666297 /nfs/dbraw/zinc/66/62/97/536666297.db2.gz VTFZKULIKORKNU-INIZCTEOSA-N 1 0 332.444 2.601 50 0 EFAARO CN(Cc1nc2ccccc2n1C)C(=O)NCCC[NH+]1CCCCC1 ZINC000670436580 547489416 /nfs/dbraw/zinc/48/94/16/547489416.db2.gz NMUBCGYLXXUKIC-UHFFFAOYSA-N 1 0 343.475 2.591 50 0 EFAARO CCOc1ccc(C[N@@H+]2CC[C@H](CC(=O)NC)C2)c(OCC)c1C ZINC000670452705 547492356 /nfs/dbraw/zinc/49/23/56/547492356.db2.gz NGPNTWPWIHJNPK-OAHLLOKOSA-N 1 0 334.460 2.750 50 0 EFAARO Cn1ccnc1CC[NH+]1CCC([C@@H](O)CCc2ccccc2)CC1 ZINC000670465757 547493966 /nfs/dbraw/zinc/49/39/66/547493966.db2.gz ZJDWAHJJNQKTEQ-IBGZPJMESA-N 1 0 327.472 2.668 50 0 EFAARO Cn1ccnc1CC[NH+]1CCC([C@H](O)CCc2ccccc2)CC1 ZINC000670465758 547494123 /nfs/dbraw/zinc/49/41/23/547494123.db2.gz ZJDWAHJJNQKTEQ-LJQANCHMSA-N 1 0 327.472 2.668 50 0 EFAARO COCC[N@@H+]1CC[C@H](c2ncnn2-c2cccc(C(F)(F)F)c2)C1 ZINC000670472134 547495831 /nfs/dbraw/zinc/49/58/31/547495831.db2.gz SQPSBEDPVDVYDS-LBPRGKRZSA-N 1 0 340.349 2.722 50 0 EFAARO CCc1oc(C(N)=O)cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000670471221 547495988 /nfs/dbraw/zinc/49/59/88/547495988.db2.gz VOWFIGXRKCCECC-UHFFFAOYSA-N 1 0 327.428 2.653 50 0 EFAARO C[N@@H+]1CCOC[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000230539109 564051118 /nfs/dbraw/zinc/05/11/18/564051118.db2.gz GNXAEKSBPGHVLU-QGZVFWFLSA-N 1 0 338.451 2.513 50 0 EFAARO O=C(NC1CCCC1)C1(CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000299804085 564060866 /nfs/dbraw/zinc/06/08/66/564060866.db2.gz XXCXELKBACUUMO-UHFFFAOYSA-N 1 0 330.472 2.710 50 0 EFAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)c2c(F)cccc2F)CC1 ZINC000169751647 564100035 /nfs/dbraw/zinc/10/00/35/564100035.db2.gz GFEZZFHVQNMXSX-UHFFFAOYSA-N 1 0 349.381 2.964 50 0 EFAARO CC(C)C[N@@H+]1CCCN(c2nnc(CSc3ccncc3)o2)CC1 ZINC001772704653 1249287591 /nfs/dbraw/zinc/28/75/91/1249287591.db2.gz KHFQGJCOJVLYKO-UHFFFAOYSA-N 1 0 347.488 2.925 50 0 EFAARO Cc1ccccc1C[N@H+]1CC[C@H](CNc2ncc(F)c(N(C)C)n2)C1 ZINC001772707772 1249295460 /nfs/dbraw/zinc/29/54/60/1249295460.db2.gz YLNDYSPEPBNCOH-OAHLLOKOSA-N 1 0 343.450 2.924 50 0 EFAARO COc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2COCC[C@]2(CO)C1 ZINC001772711091 1249299252 /nfs/dbraw/zinc/29/92/52/1249299252.db2.gz WMQAFPTXBRDULP-OXQOHEQNSA-N 1 0 327.424 2.679 50 0 EFAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2C[C@@H]3COCC[C@]3(CO)C2)c1 ZINC001772709473 1249295905 /nfs/dbraw/zinc/29/59/05/1249295905.db2.gz JVPMKUJEOXPGTP-YLJYHZDGSA-N 1 0 341.455 2.524 50 0 EFAARO CCOc1ccc(C[N@@H+]2C[C@@H]3COCC[C@]3(CO)C2)cc1Cl ZINC001772711889 1249299902 /nfs/dbraw/zinc/29/99/02/1249299902.db2.gz YADHRXVCAGUAAH-RHSMWYFYSA-N 1 0 325.836 2.570 50 0 EFAARO COCc1nnc(NCC2CC[NH+](CCc3ccccc3)CC2)o1 ZINC001772711879 1249300073 /nfs/dbraw/zinc/30/00/73/1249300073.db2.gz LABAAKCHSNMOPE-UHFFFAOYSA-N 1 0 330.432 2.583 50 0 EFAARO COC(=O)[C@]1(CC[NH2+]Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000214469306 1250182000 /nfs/dbraw/zinc/18/20/00/1250182000.db2.gz ZTKMFIMFGUOZOP-IBGZPJMESA-N 1 0 348.443 2.719 50 0 EFAARO Cc1ccnn1CCC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000823764800 1265427306 /nfs/dbraw/zinc/42/73/06/1265427306.db2.gz GZNJLXBCCNBRJU-UHFFFAOYSA-N 1 0 342.443 2.693 50 0 EFAARO O=C(COCc1ccccc1)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256457 1263288096 /nfs/dbraw/zinc/28/80/96/1263288096.db2.gz IRVRXRPYZLMFSC-KRWDZBQOSA-N 1 0 330.453 2.655 50 0 EFAARO O=C(Cc1ccc(F)cc1F)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256592 1263288600 /nfs/dbraw/zinc/28/86/00/1263288600.db2.gz KKNBXEMGJCWCBB-HNNXBMFYSA-N 1 0 336.407 2.960 50 0 EFAARO Cc1ncc(C[NH2+][C@@H]2CC(=O)N(Cc3cccc4ccccc43)C2)cn1 ZINC000011760487 1263709766 /nfs/dbraw/zinc/70/97/66/1263709766.db2.gz BLQLGELRPUEXJA-LJQANCHMSA-N 1 0 346.434 2.829 50 0 EFAARO Cc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(CC3CCC3)C2=O)cc1 ZINC000011816806 1263997527 /nfs/dbraw/zinc/99/75/27/1263997527.db2.gz XFEWTJSAQGCFJD-HXUWFJFHSA-N 1 0 330.472 2.580 50 0 EFAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C(C)(C)n1cccc1 ZINC000821768625 1264995753 /nfs/dbraw/zinc/99/57/53/1264995753.db2.gz MALSVZIJGWZNIX-INIZCTEOSA-N 1 0 325.456 2.786 50 0 EFAARO C[C@@H](C[NH+]1CCCCC1)c1ncnn1-c1ccc2c(c1)OCCO2 ZINC000822279843 1265069013 /nfs/dbraw/zinc/06/90/13/1265069013.db2.gz YSYMLNLGZZXIJS-AWEZNQCLSA-N 1 0 328.416 2.628 50 0 EFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 ZINC000822718125 1265125281 /nfs/dbraw/zinc/12/52/81/1265125281.db2.gz JQDURAVKCISURR-MRXNPFEDSA-N 1 0 327.432 2.983 50 0 EFAARO COc1ccc(C[NH+]2CCC(n3nccc3NC(C)=O)CC2)c(F)c1 ZINC000012431253 1265155792 /nfs/dbraw/zinc/15/57/92/1265155792.db2.gz AFZBHCOPCDHPOL-UHFFFAOYSA-N 1 0 346.406 2.826 50 0 EFAARO CCCn1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(C)n1 ZINC000823031360 1265215702 /nfs/dbraw/zinc/21/57/02/1265215702.db2.gz YCOWQVFMFLVAJD-INIZCTEOSA-N 1 0 330.432 2.761 50 0 EFAARO CCc1nccn1CCC(=O)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000823557578 1265388609 /nfs/dbraw/zinc/38/86/09/1265388609.db2.gz WDFUIAASZDBCQQ-HNNXBMFYSA-N 1 0 346.500 2.678 50 0 EFAARO COc1ccc(OCC2CC[NH+](Cc3cnc(OC)nc3)CC2)cc1 ZINC000824683343 1266930603 /nfs/dbraw/zinc/93/06/03/1266930603.db2.gz QKRWPBKZBCHMEQ-UHFFFAOYSA-N 1 0 343.427 2.785 50 0 EFAARO Cc1nc([C@@H]2CCCCCN2C)n(-c2ccc3c(c2)OCCO3)n1 ZINC000825273237 1267051056 /nfs/dbraw/zinc/05/10/56/1267051056.db2.gz GZCZGJFIAGXRTK-HNNXBMFYSA-N 1 0 328.416 2.894 50 0 EFAARO Cc1noc(C)c1C(=O)N1CCC2(CC1)C[N@@H+](C1CCCC1)CCO2 ZINC000825306804 1267069493 /nfs/dbraw/zinc/06/94/93/1267069493.db2.gz VMIZFRQUICPVND-UHFFFAOYSA-N 1 0 347.459 2.541 50 0 EFAARO O=C(NCCCC[NH+]1CCCCCC1)c1cc(Cl)c[nH]c1=O ZINC000825605427 1267111089 /nfs/dbraw/zinc/11/10/89/1267111089.db2.gz CLRFJDXPZANSGB-UHFFFAOYSA-N 1 0 325.840 2.827 50 0 EFAARO O=C(NCCCNc1cccnc1)C1([NH+]2CCCC2)CCCCC1 ZINC000827661321 1267460850 /nfs/dbraw/zinc/46/08/50/1267460850.db2.gz PZSFBKRGOBPMKX-UHFFFAOYSA-N 1 0 330.476 2.799 50 0 EFAARO O=C(NC[C@@H](O)Cc1ccccc1)C1([NH+]2CCCC2)CCCCC1 ZINC000828594364 1267793390 /nfs/dbraw/zinc/79/33/90/1267793390.db2.gz HWDIQIIYQLVESC-SFHVURJKSA-N 1 0 330.472 2.505 50 0 EFAARO Cc1cc(C)cc(N2CCC([NH2+]CCN3CCCC[C@H]3CO)CC2)c1 ZINC000828710779 1267885071 /nfs/dbraw/zinc/88/50/71/1267885071.db2.gz CWURADNZWRJSMX-FQEVSTJZSA-N 1 0 345.531 2.709 50 0 EFAARO CCn1ccnc1C[N@@H+]1CC[C@]2(C1)CCCN(CC(C)(C)C)C2=O ZINC000012434395 1268312887 /nfs/dbraw/zinc/31/28/87/1268312887.db2.gz TZRSSOAPIQOJAZ-IBGZPJMESA-N 1 0 332.492 2.764 50 0 EFAARO C[C@@H]1CN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)CC[N@@H+]1C ZINC000012439709 1268387348 /nfs/dbraw/zinc/38/73/48/1268387348.db2.gz RJSOULYMZJIAEW-OAHLLOKOSA-N 1 0 349.438 2.863 50 0 EFAARO Nc1nc2c(s1)[C@@H](c1cc(C[NH+]3CCCC3)cs1)CC(=O)NC2 ZINC000065394342 1271185421 /nfs/dbraw/zinc/18/54/21/1271185421.db2.gz HLKXOPJLDXDPAB-LLVKDONJSA-N 1 0 348.497 2.534 50 0 EFAARO CC(C)C(=O)N1CCC([N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)CC1 ZINC000065404566 1271333993 /nfs/dbraw/zinc/33/39/93/1271333993.db2.gz JNTFYBYUTGWCHW-RBUKOAKNSA-N 1 0 348.462 2.623 50 0 EFAARO CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]C(C)C)CC2 ZINC000200598313 1275527060 /nfs/dbraw/zinc/52/70/60/1275527060.db2.gz JIJSOSRNFZMSDB-INIZCTEOSA-N 1 0 340.471 2.536 50 0 EFAARO C[NH+]1CCN(C(C)(C)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000042541273 1280674622 /nfs/dbraw/zinc/67/46/22/1280674622.db2.gz GLOZSPUMRYPOEM-UHFFFAOYSA-N 1 0 347.547 2.735 50 0 EFAARO CC(C)(C)c1ccc(=O)n(CC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000585499133 1281872484 /nfs/dbraw/zinc/87/24/84/1281872484.db2.gz CTBVTIIAXCWMMV-IRXDYDNUSA-N 1 0 347.503 2.556 50 0 EFAARO Cc1ccc(=O)n(CC2CC[NH+](Cc3cc(F)ccc3F)CC2)n1 ZINC000585503126 1281872922 /nfs/dbraw/zinc/87/29/22/1281872922.db2.gz NMLFQFDXJXARGK-UHFFFAOYSA-N 1 0 333.382 2.742 50 0 EFAARO COCCOc1ccc(CNC(=O)C2([NH+]3CCCC3)CCCC2)cc1 ZINC000952869316 1284889557 /nfs/dbraw/zinc/88/95/57/1284889557.db2.gz HEPHCJSVVLLLJK-UHFFFAOYSA-N 1 0 346.471 2.737 50 0 EFAARO Cc1c(C[NH2+]CCn2[nH]c(=O)c3ccccc3c2=O)[nH]c2ccccc12 ZINC000952869793 1284890665 /nfs/dbraw/zinc/89/06/65/1284890665.db2.gz OXXUREBRBYXLSX-UHFFFAOYSA-N 1 0 348.406 2.682 50 0 EFAARO CCCOc1c(Cl)cccc1NC(=O)CN1CCC[N@H+](C)CC1 ZINC000952871839 1284895462 /nfs/dbraw/zinc/89/54/62/1284895462.db2.gz DQRRBKUAWWCBEU-UHFFFAOYSA-N 1 0 339.867 2.705 50 0 EFAARO CCCCc1ncc(C[NH2+][C@@H]2CCCN(C(=O)c3ccco3)C2)[nH]1 ZINC000952966001 1284926449 /nfs/dbraw/zinc/92/64/49/1284926449.db2.gz HNBMGSOTTAAHPP-CQSZACIVSA-N 1 0 330.432 2.740 50 0 EFAARO OC[C@H]1CCCCN1CC[NH2+]Cc1ccc(-c2ccccn2)cc1 ZINC000952966471 1284926694 /nfs/dbraw/zinc/92/66/94/1284926694.db2.gz JQNKRERKNLENHP-LJQANCHMSA-N 1 0 325.456 2.685 50 0 EFAARO Cc1c2cc(Cl)ccc2[nH]c1C[NH2+]CCN1CCC[C@@H](CO)C1 ZINC000952973879 1284946288 /nfs/dbraw/zinc/94/62/88/1284946288.db2.gz IGKLFBKYTXCVOT-CQSZACIVSA-N 1 0 335.879 2.924 50 0 EFAARO COc1ccccc1OCCCN(C)C(=O)C[NH+]1CCCCCC1 ZINC000952978351 1284955389 /nfs/dbraw/zinc/95/53/89/1284955389.db2.gz YXOCKZLRSZUBLL-UHFFFAOYSA-N 1 0 334.460 2.799 50 0 EFAARO CC[C@H](C)c1ccccc1OCC(=O)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000952981590 1284977016 /nfs/dbraw/zinc/97/70/16/1284977016.db2.gz SMMFPIPDLNMCKR-XEIOYGOASA-N 1 0 328.456 2.788 50 0 EFAARO CC(C)c1csc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)n1 ZINC000952983854 1284981850 /nfs/dbraw/zinc/98/18/50/1284981850.db2.gz XMGZEEGYMSXZKN-INIZCTEOSA-N 1 0 336.549 2.726 50 0 EFAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCC[C@@H](CO)C1 ZINC000952989341 1284991480 /nfs/dbraw/zinc/99/14/80/1284991480.db2.gz IHPIUVNOIMNOAW-GFCCVEGCSA-N 1 0 347.286 2.796 50 0 EFAARO CCN(C[C@@H]1CC[N@H+](CC)C1)S(=O)(=O)c1cc(C)sc1C ZINC000952990818 1284998646 /nfs/dbraw/zinc/99/86/46/1284998646.db2.gz UBLWTSCQFWJNLG-CQSZACIVSA-N 1 0 330.519 2.717 50 0 EFAARO CCc1ccc(CNC(=O)C2(c3ccccc3)CC[NH+](C)CC2)nc1 ZINC000221426573 1289394388 /nfs/dbraw/zinc/39/43/88/1289394388.db2.gz CAWQMGCDSUSJPO-UHFFFAOYSA-N 1 0 337.467 2.924 50 0 EFAARO O=C([C@H]1CCCO1)N1CCC[N@H+](CCCCOc2ccccc2)CC1 ZINC001194733689 1293698754 /nfs/dbraw/zinc/69/87/54/1293698754.db2.gz YHUXGGPFQPHNEW-LJQANCHMSA-N 1 0 346.471 2.559 50 0 EFAARO COc1cc(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)cc(OC)c1 ZINC001203858397 1313033160 /nfs/dbraw/zinc/03/31/60/1313033160.db2.gz LJXVTHWRQMSNBE-UHFFFAOYSA-N 1 0 347.390 2.676 50 0 EFAARO COc1ccc(CNc2nc(CC[NH3+])nc3ccccc32)cc1OC ZINC000065527864 1294026225 /nfs/dbraw/zinc/02/62/25/1294026225.db2.gz VXHCYLRGWDSVFH-UHFFFAOYSA-N 1 0 338.411 2.760 50 0 EFAARO COc1cc(OC)cc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c1 ZINC000016309977 1306371467 /nfs/dbraw/zinc/37/14/67/1306371467.db2.gz HTGRKZPYDVJOGG-IBGZPJMESA-N 1 0 329.396 2.956 50 0 EFAARO O=C(NC[C@H]1CCC[N@@H+](C2CCOCC2)C1)c1cc2ccccc2[nH]1 ZINC000012703847 1307061381 /nfs/dbraw/zinc/06/13/81/1307061381.db2.gz VDBVKKYCSZUTGU-OAHLLOKOSA-N 1 0 341.455 2.789 50 0 EFAARO COCCN1CCC[C@]2(CC[N@H+](Cc3ccc(SC)cc3)C2)C1=O ZINC000012708298 1307063672 /nfs/dbraw/zinc/06/36/72/1307063672.db2.gz VGHNRXGIIWLPOK-LJQANCHMSA-N 1 0 348.512 2.869 50 0 EFAARO CC(C)(C)CN1CCC[C@](O)(C[NH2+]Cc2ccc(Cl)s2)C1=O ZINC000014966212 1311408731 /nfs/dbraw/zinc/40/87/31/1311408731.db2.gz OUWOITNGIIJETO-INIZCTEOSA-N 1 0 344.908 2.891 50 0 EFAARO O=C(Nc1ccc2c(c1)CN(Cc1ccoc1)CC2)[C@H]1CCCO1 ZINC000014976197 1311413858 /nfs/dbraw/zinc/41/38/58/1311413858.db2.gz VFFPOVXFMUUNGA-GOSISDBHSA-N 1 0 326.396 2.955 50 0 EFAARO Cc1c(C(=O)NC(C)C)sc2ncnc(NCCC[NH+](C)C)c12 ZINC000014982659 1311424459 /nfs/dbraw/zinc/42/44/59/1311424459.db2.gz XLXKMRXBWHXIAN-UHFFFAOYSA-N 1 0 335.477 2.502 50 0 EFAARO COCC[NH2+]CC[C@H]1CCC(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000015006622 1311440875 /nfs/dbraw/zinc/44/08/75/1311440875.db2.gz GFEQWTXNHRTIDA-OAHLLOKOSA-N 1 0 344.377 2.823 50 0 EFAARO FC(F)(F)c1cccc(OC2CC[NH+](CCn3cncn3)CC2)c1 ZINC000020778491 1314719132 /nfs/dbraw/zinc/71/91/32/1314719132.db2.gz XSHKZUPVAJXAGM-UHFFFAOYSA-N 1 0 340.349 2.840 50 0 EFAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)c2ccc(=O)oc2)CC1 ZINC000067676104 1316065180 /nfs/dbraw/zinc/06/51/80/1316065180.db2.gz IEPTZVCWRKEPIJ-UHFFFAOYSA-N 1 0 340.423 2.590 50 0 EFAARO Cc1nc2cc(C[NH2+]Cc3cnn4c3nc(C)cc4C)ccc2n1C ZINC001506396211 1405749517 /nfs/dbraw/zinc/74/95/17/1405749517.db2.gz IBRLJUIHINBXNA-UHFFFAOYSA-N 1 0 334.427 2.831 50 0 EFAARO Fc1cc(F)cc(CN2CC[NH+](C3CSCCSC3)CC2)c1 ZINC001506405115 1405753150 /nfs/dbraw/zinc/75/31/50/1405753150.db2.gz XHXHILXVNZQZFY-UHFFFAOYSA-N 1 0 344.496 2.931 50 0 EFAARO CCn1cnnc1CC[NH2+]C1CCN(c2ccc(F)cc2C)CC1 ZINC001506407399 1405753757 /nfs/dbraw/zinc/75/37/57/1405753757.db2.gz VSVCRPFVERUXQN-UHFFFAOYSA-N 1 0 331.439 2.547 50 0 EFAARO Nc1n[nH]c(C2CC[NH+](Cc3cc(C4CCCCC4)no3)CC2)n1 ZINC001506406924 1405754262 /nfs/dbraw/zinc/75/42/62/1405754262.db2.gz PRCOWYWFLXFBDR-UHFFFAOYSA-N 1 0 330.436 2.802 50 0 EFAARO Fc1ccc(N2CC[NH+](C3CSCCSC3)CC2)c(F)c1 ZINC001506407332 1405754379 /nfs/dbraw/zinc/75/43/79/1405754379.db2.gz QTWYMZMHGAKTOT-UHFFFAOYSA-N 1 0 330.469 2.935 50 0 EFAARO CCCNC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)C2CCCC2)c1 ZINC001506405808 1405754454 /nfs/dbraw/zinc/75/44/54/1405754454.db2.gz HZFVVXDMCCDDAR-UHFFFAOYSA-N 1 0 331.460 2.948 50 0 EFAARO Cc1ccc(N2CCC([NH2+]Cc3cc(=O)[nH]cn3)CC2)cc1Cl ZINC001506407409 1405754497 /nfs/dbraw/zinc/75/44/97/1405754497.db2.gz RUWZWMMFVAZPBF-UHFFFAOYSA-N 1 0 332.835 2.903 50 0 EFAARO O=C(c1ccco1)N1CCC[N@@H+]([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001506409226 1405755167 /nfs/dbraw/zinc/75/51/67/1405755167.db2.gz GHRQOTKUYJMZQN-GOSISDBHSA-N 1 0 339.439 2.706 50 0 EFAARO COCC[N@@H+]1CCC[C@H](CNc2nnc(-c3ccccc3)s2)C1 ZINC001506416484 1405759948 /nfs/dbraw/zinc/75/99/48/1405759948.db2.gz BSMGZXRTUULHBG-CQSZACIVSA-N 1 0 332.473 2.975 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CC(=O)N(CCO)CC12CC3CC(CC(C3)C1)C2 ZINC001506419420 1405760804 /nfs/dbraw/zinc/76/08/04/1405760804.db2.gz PGRLSVPUMPDTJT-VJJCQHNBSA-N 1 0 348.531 2.898 50 0 EFAARO Cc1cc(=O)n(CC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c(=O)[nH]1 ZINC001506419258 1405761028 /nfs/dbraw/zinc/76/10/28/1405761028.db2.gz MWOQSWIDHMNLPU-QGZVFWFLSA-N 1 0 327.428 2.527 50 0 EFAARO O=C(c1cccc2c1CCC2=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001506422704 1405761946 /nfs/dbraw/zinc/76/19/46/1405761946.db2.gz CJNURZVJCDDTJO-UHFFFAOYSA-N 1 0 326.440 2.906 50 0 EFAARO c1sc(-c2ncccn2)nc1CC[NH2+]C1CSCCSC1 ZINC001506425684 1405763528 /nfs/dbraw/zinc/76/35/28/1405763528.db2.gz FXNIPGUZSNVORK-UHFFFAOYSA-N 1 0 338.527 2.581 50 0 EFAARO Cc1nc(C[NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)cc(=O)[nH]1 ZINC001506428914 1405765428 /nfs/dbraw/zinc/76/54/28/1405765428.db2.gz ZGIQNAGBJDUZRG-UHFFFAOYSA-N 1 0 334.370 2.527 50 0 EFAARO O[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1Cc1ccccn1 ZINC001704297262 1417900474 /nfs/dbraw/zinc/90/04/74/1417900474.db2.gz YRICLYULGKOVLE-UYAOXDASSA-N 1 0 326.440 2.524 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@@]3(CCc4cnc(C)nc43)C2)cc1O ZINC001704299313 1417901028 /nfs/dbraw/zinc/90/10/28/1417901028.db2.gz IRCCXYNXSGSXOA-HXUWFJFHSA-N 1 0 339.439 2.979 50 0 EFAARO CCN1CCC([NH2+][C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 ZINC001704299025 1417901156 /nfs/dbraw/zinc/90/11/56/1417901156.db2.gz NBBWZTYHAGVXLP-DYESRHJHSA-N 1 0 339.483 2.866 50 0 EFAARO O[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1Cc1ccccn1 ZINC001704303717 1417902157 /nfs/dbraw/zinc/90/21/57/1417902157.db2.gz NYVRZTALFKNDOQ-RDTXWAMCSA-N 1 0 332.831 2.649 50 0 EFAARO CC[C@H](C(=O)N(CC[NH+](C)C)Cc1[nH]cnc1C)c1ccccc1 ZINC001704311818 1417904237 /nfs/dbraw/zinc/90/42/37/1417904237.db2.gz SNFCMITVLLRTOZ-KRWDZBQOSA-N 1 0 328.460 2.802 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)c1cc(F)cc(Cl)c1 ZINC001704339478 1417911539 /nfs/dbraw/zinc/91/15/39/1417911539.db2.gz IFQUPNUSBJEMBF-UHFFFAOYSA-N 1 0 338.814 2.715 50 0 EFAARO C[N@@H+]1CCC[C@]2(CO)CCN(C(=O)c3csc4ccccc34)C[C@@H]12 ZINC001704343611 1417912635 /nfs/dbraw/zinc/91/26/35/1417912635.db2.gz KZDVVLXHPUVOPD-IEBWSBKVSA-N 1 0 344.480 2.820 50 0 EFAARO Cc1cc(N2CCC3(CC2)OCCc2c4ccccc4[nH]c23)nc(N)[nH+]1 ZINC001704343530 1417912853 /nfs/dbraw/zinc/91/28/53/1417912853.db2.gz IXHFKWGOUUPTFF-UHFFFAOYSA-N 1 0 349.438 2.917 50 0 EFAARO Cc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)o1 ZINC000104376440 715349058 /nfs/dbraw/zinc/34/90/58/715349058.db2.gz IVZNAXKLDGIPFG-LJQANCHMSA-N 1 0 328.456 2.965 50 0 EFAARO c1ncn(C2CCCCC2)c1CN1CCC([NH+]2CCOCC2)CC1 ZINC000244872984 716439624 /nfs/dbraw/zinc/43/96/24/716439624.db2.gz WHYIDGKTSNLWDD-UHFFFAOYSA-N 1 0 332.492 2.685 50 0 EFAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1n[nH]c2c1CCCC2 ZINC000888088643 717202121 /nfs/dbraw/zinc/20/21/21/717202121.db2.gz KAOWMLAOZQVUQA-PBHICJAKSA-N 1 0 330.476 2.625 50 0 EFAARO COc1cccc2ccc(CN3CCN(c4cc[nH+]cc4)CC3)nc21 ZINC000019794526 719410890 /nfs/dbraw/zinc/41/08/90/719410890.db2.gz YHSNCNYJSNBBNY-UHFFFAOYSA-N 1 0 334.423 2.961 50 0 EFAARO O=C(Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CCOCC2)C1 ZINC000020515374 719469317 /nfs/dbraw/zinc/46/93/17/719469317.db2.gz ZRWQLHOPZSAFBK-QUCCMNQESA-N 1 0 342.483 2.721 50 0 EFAARO C[C@H](CN(C)Cc1nc(Cc2cccc(F)c2)no1)C[NH+]1CCCC1 ZINC000020540932 719473147 /nfs/dbraw/zinc/47/31/47/719473147.db2.gz SFZPOSOVTMZGAA-OAHLLOKOSA-N 1 0 346.450 2.963 50 0 EFAARO O=C(c1ccc2cc[nH]c2c1)N1CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC000982036242 719485234 /nfs/dbraw/zinc/48/52/34/719485234.db2.gz GJSNCUQSCQOQBT-SFHVURJKSA-N 1 0 341.455 2.885 50 0 EFAARO Cc1ncsc1CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+](C)C2 ZINC000426517817 721007970 /nfs/dbraw/zinc/00/79/70/721007970.db2.gz JDQGONXOMOYZGC-GJZGRUSLSA-N 1 0 336.505 2.510 50 0 EFAARO O=c1c2ccncc2ncn1CC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032587188 725687340 /nfs/dbraw/zinc/68/73/40/725687340.db2.gz QERBALHOTYXIPI-INIZCTEOSA-N 1 0 326.444 2.979 50 0 EFAARO CCOc1ccccc1C(=O)N1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC000989586398 1106462503 /nfs/dbraw/zinc/46/25/03/1106462503.db2.gz PWBJUTDZZDGYPK-KRWDZBQOSA-N 1 0 346.471 2.660 50 0 EFAARO Cc1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c(-c2ccccc2)o1 ZINC000097610287 219041775 /nfs/dbraw/zinc/04/17/75/219041775.db2.gz BDUCMJODUNKJTD-KRWDZBQOSA-N 1 0 342.439 2.832 50 0 EFAARO C[NH+](C)CC[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1ccccc1 ZINC000097619181 219042035 /nfs/dbraw/zinc/04/20/35/219042035.db2.gz HIWHMAYGSKBQKD-QGZVFWFLSA-N 1 0 349.438 2.895 50 0 EFAARO O[C@H]1C[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)s3)C[C@H]2C[C@@H]1O ZINC000097635174 219042763 /nfs/dbraw/zinc/04/27/63/219042763.db2.gz PCJUJORQNUGCOI-MVJTYMMSSA-N 1 0 329.465 2.979 50 0 EFAARO CC[NH+](CC)CCNC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1C ZINC000051317851 214089126 /nfs/dbraw/zinc/08/91/26/214089126.db2.gz KLPAOFIYXWDZSQ-UHFFFAOYSA-N 1 0 349.866 2.609 50 0 EFAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc2cccc(F)c2n1 ZINC000091819677 282095812 /nfs/dbraw/zinc/09/58/12/282095812.db2.gz NHVGYEDTKPHNHW-OAHLLOKOSA-N 1 0 345.418 2.557 50 0 EFAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000004728863 210262987 /nfs/dbraw/zinc/26/29/87/210262987.db2.gz JDTMDOTZAVACMX-LBPRGKRZSA-N 1 0 329.400 2.625 50 0 EFAARO C[N@@H+]1CCN2CCN(Cc3ccc(-c4ccccc4F)cc3)C[C@@H]2C1 ZINC000097679857 219047189 /nfs/dbraw/zinc/04/71/89/219047189.db2.gz KAODPGAVUFILTR-IBGZPJMESA-N 1 0 339.458 2.924 50 0 EFAARO c1ccc(Oc2ccc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC000097711859 219049295 /nfs/dbraw/zinc/04/92/95/219049295.db2.gz QYELNGUJJLORJX-LJQANCHMSA-N 1 0 337.467 2.958 50 0 EFAARO COC[C@H](C)N(Cc1cccc(F)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000097711707 219050000 /nfs/dbraw/zinc/05/00/00/219050000.db2.gz ROYJFKCAJNDAGG-HNNXBMFYSA-N 1 0 336.451 2.921 50 0 EFAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NCCCc2ccc(Cl)cc2)C1 ZINC000097730038 219051133 /nfs/dbraw/zinc/05/11/33/219051133.db2.gz NELYZQLTGDRKPH-QGZVFWFLSA-N 1 0 338.879 2.888 50 0 EFAARO Cc1noc(CC2CC[NH+](Cc3c(C)nc4ccccn43)CC2)n1 ZINC000097742879 219052086 /nfs/dbraw/zinc/05/20/86/219052086.db2.gz GGXAXRWPASNUAX-UHFFFAOYSA-N 1 0 325.416 2.789 50 0 EFAARO CN1CCN([C@H]2CC[N@H+](Cc3ccccc3-c3ccco3)C2)CC1 ZINC000097743633 219053321 /nfs/dbraw/zinc/05/33/21/219053321.db2.gz BXWUUHZFBQJYGY-SFHVURJKSA-N 1 0 325.456 2.768 50 0 EFAARO COC[C@H]([NH3+])C(=O)Nc1ccccc1OCCCc1ccccc1 ZINC000055099402 214272505 /nfs/dbraw/zinc/27/25/05/214272505.db2.gz VTYOYQGRVRLXRQ-INIZCTEOSA-N 1 0 328.412 2.610 50 0 EFAARO COc1cc2c(cc1C[NH+]1CCC(c3nc(C)n[nH]3)CC1)CCC2 ZINC000097756325 219053833 /nfs/dbraw/zinc/05/38/33/219053833.db2.gz MVGAFXDIYPUNHD-UHFFFAOYSA-N 1 0 326.444 2.990 50 0 EFAARO O=C1NCCN1CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2F)o1 ZINC000055271300 214298894 /nfs/dbraw/zinc/29/88/94/214298894.db2.gz SGPHNYPTMAZVDO-UHFFFAOYSA-N 1 0 337.782 2.854 50 0 EFAARO CCCC(=O)Nc1cc(C(=O)NCC[C@@H]2CCC[N@@H+]2C)ccc1C ZINC000055368847 214313028 /nfs/dbraw/zinc/31/30/28/214313028.db2.gz GRPKYDXOWZSOND-INIZCTEOSA-N 1 0 331.460 2.948 50 0 EFAARO CCc1oc(C(=O)N(C)Cc2nonc2C)cc1C[NH+](CC)CC ZINC000055369979 214313348 /nfs/dbraw/zinc/31/33/48/214313348.db2.gz PHZCDXDCKQSDTO-UHFFFAOYSA-N 1 0 334.420 2.647 50 0 EFAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccnn2C(F)F)s1 ZINC000055393057 214316313 /nfs/dbraw/zinc/31/63/13/214316313.db2.gz QCZNQSKUMWBYMX-UHFFFAOYSA-N 1 0 342.415 2.852 50 0 EFAARO c1nn(-c2ccccn2)c2c1[C@@H]([NH2+]Cc1ccc3nonc3c1)CCC2 ZINC000055358627 214311280 /nfs/dbraw/zinc/31/12/80/214311280.db2.gz DNVJWRVOZSYQRU-HNNXBMFYSA-N 1 0 346.394 2.971 50 0 EFAARO CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C[C@H]2CCCC[N@@H+]2C)c1 ZINC000055413772 214321381 /nfs/dbraw/zinc/32/13/81/214321381.db2.gz OPHICVSBGWTGNL-CQSZACIVSA-N 1 0 337.851 2.855 50 0 EFAARO COc1cc(OC)cc(C(=O)N2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000004688643 210248037 /nfs/dbraw/zinc/24/80/37/210248037.db2.gz RMZPRZYZSWFLNJ-INIZCTEOSA-N 1 0 344.455 2.818 50 0 EFAARO COCC[N@@H+]1CC[C@H](C(=O)NCc2ccc(-c3ccccc3)cc2)C1 ZINC000097785338 219057730 /nfs/dbraw/zinc/05/77/30/219057730.db2.gz YQUKZZQMGZSIFN-FQEVSTJZSA-N 1 0 338.451 2.938 50 0 EFAARO Cc1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c(Cl)c1Cl ZINC000097797563 219057738 /nfs/dbraw/zinc/05/77/38/219057738.db2.gz JRIDJUUFYWTFBG-AWEZNQCLSA-N 1 0 328.287 2.781 50 0 EFAARO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000004688590 210247247 /nfs/dbraw/zinc/24/72/47/210247247.db2.gz UBPPJXPGUGGWRD-QMTMVMCOSA-N 1 0 344.455 2.650 50 0 EFAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccn1CCN1CCOCC1 ZINC000004682144 210246872 /nfs/dbraw/zinc/24/68/72/210246872.db2.gz WNRDAKMAHZRCED-IBGZPJMESA-N 1 0 341.499 2.931 50 0 EFAARO COc1cc([C@@H]2[NH2+]CCC3(OCCO3)C2(C)C)cc(OC)c1OC ZINC000004671546 210243362 /nfs/dbraw/zinc/24/33/62/210243362.db2.gz GVYFCWVBYINXJW-INIZCTEOSA-N 1 0 337.416 2.516 50 0 EFAARO COc1cccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1OC ZINC000004673548 210242276 /nfs/dbraw/zinc/24/22/76/210242276.db2.gz NJRNPOHSQCOVIK-UHFFFAOYSA-N 1 0 332.444 2.538 50 0 EFAARO CC(C)(C)OC(=O)CN(C[C@@H]1CCC[NH2+]C1)C(=O)OC(C)(C)C ZINC000098095387 219082852 /nfs/dbraw/zinc/08/28/52/219082852.db2.gz NNWQEGZTFIOUSA-CYBMUJFWSA-N 1 0 328.453 2.565 50 0 EFAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]CCCN3CCOCC3)o2)cc1 ZINC000004512834 210210582 /nfs/dbraw/zinc/21/05/82/210210582.db2.gz DMCDXVZRZITAOS-MRXNPFEDSA-N 1 0 344.455 2.812 50 0 EFAARO CC(C)n1c2ccccc2n(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1=O ZINC000101208813 219118414 /nfs/dbraw/zinc/11/84/14/219118414.db2.gz AFOFVIBWSLOHFR-QDMKHBRRSA-N 1 0 342.443 2.567 50 0 in-vitro EFAARO CCc1sc(C(=O)NC2CC[NH+](C)CC2)cc1Br ZINC000004271639 210157179 /nfs/dbraw/zinc/15/71/79/210157179.db2.gz SEFDIVJNWDBRMI-UHFFFAOYSA-N 1 0 331.279 2.897 50 0 EFAARO CN(C(=O)OCc1ccccc1)[C@@]1(C[NH+]2CCCC2)CCCN(C)C1 ZINC000004268960 210156593 /nfs/dbraw/zinc/15/65/93/210156593.db2.gz OUPWYLQJXVISKC-FQEVSTJZSA-N 1 0 345.487 2.815 50 0 EFAARO O=C(NCc1cccnc1)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065375191 214879921 /nfs/dbraw/zinc/87/99/21/214879921.db2.gz MVGILRKASJQVCS-UHFFFAOYSA-N 1 0 345.830 2.552 50 0 EFAARO Cc1cc(C)n([C@H]2CCN(C(=O)C3([NH+]4CCCC4)CCCC3)C2)n1 ZINC000065410520 214900525 /nfs/dbraw/zinc/90/05/25/214900525.db2.gz VPDUTGHCILFNBH-KRWDZBQOSA-N 1 0 330.476 2.682 50 0 EFAARO CC(=O)NCC1=CCC[N@H+](Cc2cc(=O)oc3c(C)cc(C)cc23)C1 ZINC000065453110 214913502 /nfs/dbraw/zinc/91/35/02/214913502.db2.gz KFWZAJJEFRMZCP-UHFFFAOYSA-N 1 0 340.423 2.678 50 0 EFAARO Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000004163772 210136582 /nfs/dbraw/zinc/13/65/82/210136582.db2.gz IIQNOWWTNGFYGT-UHFFFAOYSA-N 1 0 327.428 2.651 50 0 EFAARO COc1ccc([C@@]2(C)N(O)[C@@H](C)C(c3ccccc3)[N+]2=O)cc1OC ZINC000003904820 210090255 /nfs/dbraw/zinc/09/02/55/210090255.db2.gz HLBMHPXRVPUYOK-DJJJIMSYSA-N 1 0 342.395 2.969 50 0 EFAARO CCc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(OC)cc3)C2=O)cc1 ZINC000102147659 219186989 /nfs/dbraw/zinc/18/69/89/219186989.db2.gz WLRZDKMYOZAWSF-GOSISDBHSA-N 1 0 338.407 2.679 50 0 EFAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+]CCC2=CSC3=NCCCN23)cc1 ZINC000102180702 219189942 /nfs/dbraw/zinc/18/99/42/219189942.db2.gz VOXSFLMTTGAPJY-CQSZACIVSA-N 1 0 344.484 2.952 50 0 EFAARO O=C(NC1Cc2ccccc2C1)[C@H]1[C@@H]2C[N@@H+](C/C=C/c3ccco3)C[C@@H]21 ZINC000102781766 219230073 /nfs/dbraw/zinc/23/00/73/219230073.db2.gz OWOPGZKNKCMLRM-VBIRGSRCSA-N 1 0 348.446 2.754 50 0 EFAARO COc1ccc(C)cc1NC(=O)NC[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000067432393 215144907 /nfs/dbraw/zinc/14/49/07/215144907.db2.gz SZMZYZTYTLXTTP-OAHLLOKOSA-N 1 0 347.459 2.626 50 0 EFAARO Cc1ncc(C[N@@H+]2CC[C@@H](CNC(=O)CC3=CCCCC3)C2)cn1 ZINC000067434673 215145148 /nfs/dbraw/zinc/14/51/48/215145148.db2.gz JKVYOWGMUVUBDR-KRWDZBQOSA-N 1 0 328.460 2.614 50 0 EFAARO Cn1cc(C[N@H+](Cc2cc(=O)n3c4c(cccc24)CCC3)C2CC2)cn1 ZINC000067515156 215156729 /nfs/dbraw/zinc/15/67/29/215156729.db2.gz BGXCUPQWYRIKKH-UHFFFAOYSA-N 1 0 348.450 2.846 50 0 EFAARO CNc1ccccc1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000067561577 215161529 /nfs/dbraw/zinc/16/15/29/215161529.db2.gz FOLBDIARMWVFSE-INIZCTEOSA-N 1 0 339.439 2.686 50 0 EFAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1 ZINC000067649481 215173615 /nfs/dbraw/zinc/17/36/15/215173615.db2.gz SWGHOKSEAMNTDT-ZDUSSCGKSA-N 1 0 340.427 2.686 50 0 EFAARO C[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000067654458 215175640 /nfs/dbraw/zinc/17/56/40/215175640.db2.gz HFIYOJBZRYIVHI-FQEVSTJZSA-N 1 0 337.423 2.650 50 0 EFAARO Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)c1O ZINC000067655101 215175738 /nfs/dbraw/zinc/17/57/38/215175738.db2.gz CSLKCJYPNHEGMN-HNNXBMFYSA-N 1 0 328.412 2.936 50 0 EFAARO O=C(NCC[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1)c1ccccn1 ZINC000067673226 215177093 /nfs/dbraw/zinc/17/70/93/215177093.db2.gz RJFCKKKHJCRUSQ-MRXNPFEDSA-N 1 0 339.439 2.819 50 0 EFAARO O=C(NCC[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1)c1ccccn1 ZINC000067673225 215177378 /nfs/dbraw/zinc/17/73/78/215177378.db2.gz RJFCKKKHJCRUSQ-INIZCTEOSA-N 1 0 339.439 2.819 50 0 EFAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccc3nonc3c2)C1)C1CCCCC1 ZINC000067673068 215177441 /nfs/dbraw/zinc/17/74/41/215177441.db2.gz FIOXQFWNOAZQSJ-HNNXBMFYSA-N 1 0 342.443 2.741 50 0 EFAARO Cc1ccc(C2(O)CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)nc1 ZINC000067674799 215178718 /nfs/dbraw/zinc/17/87/18/215178718.db2.gz SYSQSMJYEWUCTR-UHFFFAOYSA-N 1 0 338.411 2.857 50 0 EFAARO Cc1c2ccccc2oc1C[N@@H+]1CC[C@@H](CNC(=O)c2cnco2)C1 ZINC000067675815 215180559 /nfs/dbraw/zinc/18/05/59/215180559.db2.gz WVCYXMGAJYMOIY-AWEZNQCLSA-N 1 0 339.395 2.981 50 0 EFAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cnco3)C2)cc1C ZINC000067675562 215181718 /nfs/dbraw/zinc/18/17/18/215181718.db2.gz LKLYQDDXLYBIIX-KRWDZBQOSA-N 1 0 327.428 2.933 50 0 EFAARO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc(C)c(C)c3)C2)on1 ZINC000067677488 215182384 /nfs/dbraw/zinc/18/23/84/215182384.db2.gz QIITWBYHNAWTNF-MRXNPFEDSA-N 1 0 327.428 2.852 50 0 EFAARO O=C(NCC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000067678897 215182508 /nfs/dbraw/zinc/18/25/08/215182508.db2.gz JCDZOEDCWVIAQV-SFHVURJKSA-N 1 0 330.472 2.832 50 0 EFAARO CC(C)(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000067688327 215184617 /nfs/dbraw/zinc/18/46/17/215184617.db2.gz SOFDIUNXFSJHTA-QGZVFWFLSA-N 1 0 340.471 2.857 50 0 EFAARO Cc1cc(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)oc1C ZINC000067654221 215175219 /nfs/dbraw/zinc/17/52/19/215175219.db2.gz ZXIIRATZKZLRIG-DLBZAZTESA-N 1 0 329.396 2.976 50 0 EFAARO c1ccc(CNc2ncc(CN3CCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000067697206 215189634 /nfs/dbraw/zinc/18/96/34/215189634.db2.gz NMRUVRKARZRJRD-HXUWFJFHSA-N 1 0 337.471 2.664 50 0 EFAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H](C)c3ccco3)cnn2c1 ZINC000067713269 215190245 /nfs/dbraw/zinc/19/02/45/215190245.db2.gz CALHIGCVWDDODA-CYBMUJFWSA-N 1 0 341.415 2.655 50 0 EFAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2cccnc2Cl)n1 ZINC000067713442 215191544 /nfs/dbraw/zinc/19/15/44/215191544.db2.gz RELLLINRFZFHRS-ZDUSSCGKSA-N 1 0 331.851 2.937 50 0 EFAARO CC(C)(C)c1cc(CN2CCC[N@H+](Cc3ccncc3)CC2)[nH]n1 ZINC000067714870 215192739 /nfs/dbraw/zinc/19/27/39/215192739.db2.gz RQDCYGZJQADOPT-UHFFFAOYSA-N 1 0 327.476 2.810 50 0 EFAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)Cc2cccnc2)CC1 ZINC000067723028 215195160 /nfs/dbraw/zinc/19/51/60/215195160.db2.gz YJRULRXRRDPOCQ-UHFFFAOYSA-N 1 0 337.467 2.961 50 0 EFAARO Cc1nc([C@@H]([NH3+])Cc2c[nH]cn2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000067755122 215203286 /nfs/dbraw/zinc/20/32/86/215203286.db2.gz LODXUSNADIWRPL-LBPRGKRZSA-N 1 0 337.214 2.848 50 0 EFAARO [NH3+]C1(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)CCCC1 ZINC000067740988 215199254 /nfs/dbraw/zinc/19/92/54/215199254.db2.gz CTEJYBMDAHJPMF-RBUKOAKNSA-N 1 0 338.451 2.788 50 0 EFAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 ZINC000067741581 215200393 /nfs/dbraw/zinc/20/03/93/215200393.db2.gz CPZGMVFGIOOXHB-QLJPJBMISA-N 1 0 348.397 2.613 50 0 EFAARO Cc1ccccc1Oc1ncccc1CNC(=O)[C@H](C)C[NH+](C)C ZINC000067757600 215204173 /nfs/dbraw/zinc/20/41/73/215204173.db2.gz AUAPMBXVLOLRMI-OAHLLOKOSA-N 1 0 327.428 2.996 50 0 EFAARO COc1ccc(O)cc1C[N@@H+]1CCC[C@H](CNC(=O)C=C(C)C)C1 ZINC000067773619 215209127 /nfs/dbraw/zinc/20/91/27/215209127.db2.gz YGPAHCOEEORNJI-OAHLLOKOSA-N 1 0 332.444 2.695 50 0 EFAARO CCC(C)(C)[NH2+]C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067758819 215206704 /nfs/dbraw/zinc/20/67/04/215206704.db2.gz GHHHDRRORNNMPM-HXUWFJFHSA-N 1 0 332.488 2.751 50 0 EFAARO Cc1noc(-c2ccnc(-c3cc4c(c(F)c3)O[C@H](C[NH3+])C4)c2)n1 ZINC000067786078 215211892 /nfs/dbraw/zinc/21/18/92/215211892.db2.gz DYBFIXUZKHJGOA-ZDUSSCGKSA-N 1 0 326.331 2.508 50 0 EFAARO O=C(c1csc(Cc2ccccc2)n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067787514 215212307 /nfs/dbraw/zinc/21/23/07/215212307.db2.gz VQTUTEGKEIRJQP-LJQANCHMSA-N 1 0 341.480 2.950 50 0 EFAARO Cn1ccnc1-c1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000067773605 215209332 /nfs/dbraw/zinc/20/93/32/215209332.db2.gz GYOOPJSRFZTYLM-KRWDZBQOSA-N 1 0 348.454 2.954 50 0 EFAARO COc1ccc(C2(C(=O)NC[C@@H]3CCC[N@H+](C)C3)CCCC2)cc1 ZINC000067820506 215221668 /nfs/dbraw/zinc/22/16/68/215221668.db2.gz XQGAFWOANQJDKM-INIZCTEOSA-N 1 0 330.472 2.965 50 0 EFAARO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)C1 ZINC000067834318 215223892 /nfs/dbraw/zinc/22/38/92/215223892.db2.gz FTYMIABBLGUJEU-INIZCTEOSA-N 1 0 341.455 2.575 50 0 EFAARO CCc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3ncccc3C)C2)nc1 ZINC000067843253 215228062 /nfs/dbraw/zinc/22/80/62/215228062.db2.gz AFJQRRHTGUEYRI-KRWDZBQOSA-N 1 0 338.455 2.599 50 0 EFAARO Cc1ccccc1[C@]1(O)CC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000067847156 215228786 /nfs/dbraw/zinc/22/87/86/215228786.db2.gz YSOFLCHHZVMLQR-NRFANRHFSA-N 1 0 346.434 2.941 50 0 EFAARO C[NH+](C)CCCNC(=O)COc1ccc(Br)cc1Cl ZINC000002874243 209934051 /nfs/dbraw/zinc/93/40/51/209934051.db2.gz NHVPPKKGBHLDNA-UHFFFAOYSA-N 1 0 349.656 2.549 50 0 EFAARO Cc1cc2c(c(-c3cc(C(=O)N4CCCC4)ccn3)c1)O[C@@H](C[NH3+])C2 ZINC000067847463 215229884 /nfs/dbraw/zinc/22/98/84/215229884.db2.gz XHWOOLRFWOGSQF-MRXNPFEDSA-N 1 0 337.423 2.555 50 0 EFAARO CN1CC[NH+](CC[C@@H]2CCCCN2Cc2nc3ccccc3[nH]2)CC1 ZINC000067855359 215233535 /nfs/dbraw/zinc/23/35/35/215233535.db2.gz ADCMUJGPSQXVDO-KRWDZBQOSA-N 1 0 341.503 2.555 50 0 EFAARO CC(C)(C[NH+]1CCCCCC1)c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 ZINC000067869097 215236633 /nfs/dbraw/zinc/23/66/33/215236633.db2.gz WWCNWKNCHGUNDP-UHFFFAOYSA-N 1 0 327.432 2.886 50 0 EFAARO CCc1ccc(C[NH+]2CCC(Cc3nn(C)c(=O)n3CC)CC2)cc1 ZINC000067872472 215237657 /nfs/dbraw/zinc/23/76/57/215237657.db2.gz QGLLEVKBMAIGGO-UHFFFAOYSA-N 1 0 342.487 2.619 50 0 EFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000067878557 215237844 /nfs/dbraw/zinc/23/78/44/215237844.db2.gz DPJZTFCZRBJMKM-OAHLLOKOSA-N 1 0 339.439 2.502 50 0 EFAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccccn2)C1)c1cccc2cnccc21 ZINC000067872687 215237849 /nfs/dbraw/zinc/23/78/49/215237849.db2.gz ZKQLDJDHYGGWEI-INIZCTEOSA-N 1 0 346.434 2.882 50 0 EFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCc2nc(C)cc(C(F)(F)F)n2)n1 ZINC000067879553 215238527 /nfs/dbraw/zinc/23/85/27/215238527.db2.gz YCZLGFXXLRNFHS-GFCCVEGCSA-N 1 0 341.381 2.838 50 0 EFAARO [NH3+]CCC(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067883538 215241471 /nfs/dbraw/zinc/24/14/71/215241471.db2.gz PDGAQJKLEKIYDU-UHFFFAOYSA-N 1 0 346.434 2.977 50 0 EFAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2noc(C3CCC3)n2)n1 ZINC000067894016 215242351 /nfs/dbraw/zinc/24/23/51/215242351.db2.gz BQIPIFFZABBBAB-AWEZNQCLSA-N 1 0 342.447 2.539 50 0 EFAARO COC[C@@H](C)C1CCN(c2cc(C3CC[NH2+]CC3)nc(C)n2)CC1 ZINC000067909918 215249000 /nfs/dbraw/zinc/24/90/00/215249000.db2.gz BGAOOSHNQFIESD-CQSZACIVSA-N 1 0 332.492 2.751 50 0 EFAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H](CCNS(C)(=O)=O)C1 ZINC000067947488 215255919 /nfs/dbraw/zinc/25/59/19/215255919.db2.gz QPTDZAIAHACBQH-HNNXBMFYSA-N 1 0 349.500 2.628 50 0 EFAARO COc1ccc(Oc2ccc(C(N)=O)cn2)cc1C[NH+]1CCCC1 ZINC000067920872 215251328 /nfs/dbraw/zinc/25/13/28/215251328.db2.gz SMHCPJHUTCCETE-UHFFFAOYSA-N 1 0 327.384 2.577 50 0 EFAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccncc2)C1)C1(C(F)(F)F)CC1 ZINC000067935431 215254945 /nfs/dbraw/zinc/25/49/45/215254945.db2.gz ZXBDBXAWLWZIQP-CQSZACIVSA-N 1 0 341.377 2.752 50 0 EFAARO C[N@@H+]1CCCN(Cc2ccccc2-c2nc(C(F)F)cc(=O)[nH]2)CC1 ZINC000067966578 215262218 /nfs/dbraw/zinc/26/22/18/215262218.db2.gz WBAQPIIEUFJHHZ-UHFFFAOYSA-N 1 0 348.397 2.512 50 0 EFAARO CCNC(=O)NC[C@@H]1CC[N@H+](Cc2c(Cl)ccc(C)c2F)C1 ZINC000067974623 215263481 /nfs/dbraw/zinc/26/34/81/215263481.db2.gz NISRXEWRBRRPHV-LBPRGKRZSA-N 1 0 327.831 2.929 50 0 EFAARO Cc1ccc(OCc2occc2C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000067974852 215263579 /nfs/dbraw/zinc/26/35/79/215263579.db2.gz LGHQQVHXRRYOGS-OAHLLOKOSA-N 1 0 328.412 2.849 50 0 EFAARO Cc1cnccc1C(=O)NCC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000067974089 215263598 /nfs/dbraw/zinc/26/35/98/215263598.db2.gz MEBRJXYGNOAFFC-QGZVFWFLSA-N 1 0 338.455 2.817 50 0 EFAARO CSCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000067975629 215265780 /nfs/dbraw/zinc/26/57/80/215265780.db2.gz WNAHISZBJXFLKF-OAHLLOKOSA-N 1 0 331.485 2.859 50 0 EFAARO O=C(Cc1noc2ccccc12)NC[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000067975660 215264780 /nfs/dbraw/zinc/26/47/80/215264780.db2.gz STMHXJILKQGSJA-CQSZACIVSA-N 1 0 339.395 2.602 50 0 EFAARO Cc1nn([C@@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000002778359 209910134 /nfs/dbraw/zinc/91/01/34/209910134.db2.gz LJZZSXDIJBCLSS-NSHDSACASA-N 1 0 326.872 2.831 50 0 EFAARO OCC[C@H]1CN(Cc2nc3cc(F)ccc3[nH]2)CC[N@@H+]1C1CCCC1 ZINC000103803883 219324953 /nfs/dbraw/zinc/32/49/53/219324953.db2.gz XKDLUGOTSWOVAT-INIZCTEOSA-N 1 0 346.450 2.513 50 0 EFAARO O[C@H](C[NH2+]Cc1ccco1)CO[C@H](Cc1ccccc1)C(F)(F)F ZINC000002556072 209866660 /nfs/dbraw/zinc/86/66/60/209866660.db2.gz JUUBTHRUOSUPHW-GDBMZVCRSA-N 1 0 343.345 2.920 50 0 EFAARO 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CCNc1nc(NCCNC(=O)c2ccc(CC)cc2)cc(C)[nH+]1 ZINC000072115950 216011727 /nfs/dbraw/zinc/01/17/27/216011727.db2.gz PPURPNBFGGESEE-UHFFFAOYSA-N 1 0 327.432 2.621 50 0 EFAARO O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)C1(Cn2cccn2)CC1 ZINC000072123815 216014833 /nfs/dbraw/zinc/01/48/33/216014833.db2.gz BNZGWOAFEOXLGJ-GOSISDBHSA-N 1 0 344.503 2.824 50 0 EFAARO Cc1cccc2nc(CNC(=O)c3cccc([C@@H]4CC[NH2+]C4)c3)cn21 ZINC000072125641 216016479 /nfs/dbraw/zinc/01/64/79/216016479.db2.gz KIXZUWPCCYXNPP-QGZVFWFLSA-N 1 0 334.423 2.650 50 0 EFAARO COc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c2ccccc2n1 ZINC000072133492 216021901 /nfs/dbraw/zinc/02/19/01/216021901.db2.gz YCUAFTLGNSPMIC-AWEZNQCLSA-N 1 0 327.428 2.800 50 0 EFAARO OCCOc1cccc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)c1 ZINC000072143658 216028928 /nfs/dbraw/zinc/02/89/28/216028928.db2.gz FHFOVXBGYZHCDZ-UHFFFAOYSA-N 1 0 344.430 2.909 50 0 EFAARO COC1(c2ccccc2)CCN(Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072144313 216030616 /nfs/dbraw/zinc/03/06/16/216030616.db2.gz QEOORGYGURQZPK-UHFFFAOYSA-N 1 0 340.471 2.514 50 0 EFAARO CCCc1cc(NCC(C)(C)N2CC[NH+](CC)CC2)n2nccc2n1 ZINC000072145134 216030950 /nfs/dbraw/zinc/03/09/50/216030950.db2.gz BKPVTDXQEOGKRU-UHFFFAOYSA-N 1 0 344.507 2.510 50 0 EFAARO Cc1ncsc1CCN(C)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072145737 216031678 /nfs/dbraw/zinc/03/16/78/216031678.db2.gz LAUNHZJCWSABFP-AWEZNQCLSA-N 1 0 329.469 2.843 50 0 EFAARO CN(Cc1cc2n(n1)CCC[NH2+]C2)Cc1nc2ccccc2s1 ZINC000072150059 216038025 /nfs/dbraw/zinc/03/80/25/216038025.db2.gz XCEMJXNGVWDTIZ-UHFFFAOYSA-N 1 0 327.457 2.618 50 0 EFAARO COCCC[N@@H+]1C[C@@H](c2ccccc2OC)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072152184 216040407 /nfs/dbraw/zinc/04/04/07/216040407.db2.gz YEFGPAXHHWFSIJ-DFQSSKMNSA-N 1 0 330.472 2.594 50 0 EFAARO Fc1cccc([C@@H]2CN(c3cnccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1F ZINC000072152368 216041519 /nfs/dbraw/zinc/04/15/19/216041519.db2.gz NVUJAKRKFBBQGA-GDIGMMSISA-N 1 0 342.393 2.821 50 0 EFAARO CC[C@@H]1CN(Cc2cccc(CN3CCOCC3)c2)CC[N@@H+]1C(C)C ZINC000072149159 216037076 /nfs/dbraw/zinc/03/70/76/216037076.db2.gz FLXWPWHGWRXVAL-OAQYLSRUSA-N 1 0 345.531 2.823 50 0 EFAARO CN(Cc1cc2n(n1)CC[NH2+]C2)Cc1nc(-c2ccccc2)cs1 ZINC000072162535 216050734 /nfs/dbraw/zinc/05/07/34/216050734.db2.gz ULMLLKSHBSLIEM-UHFFFAOYSA-N 1 0 339.468 2.742 50 0 EFAARO Cc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000072157359 216047443 /nfs/dbraw/zinc/04/74/43/216047443.db2.gz JGBDIZKQKFMZDZ-INIZCTEOSA-N 1 0 326.444 2.941 50 0 EFAARO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072270586 216093676 /nfs/dbraw/zinc/09/36/76/216093676.db2.gz SVPGPJOHIBFJTK-DLBZAZTESA-N 1 0 329.444 2.646 50 0 EFAARO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270671 216093806 /nfs/dbraw/zinc/09/38/06/216093806.db2.gz UAGPPCIGYYEKJB-KGLIPLIRSA-N 1 0 344.484 2.624 50 0 EFAARO COC(=O)c1c(C)nc2n(CC[NH+]3CCCCC3)c3ccccc3n21 ZINC000000305216 209526946 /nfs/dbraw/zinc/52/69/46/209526946.db2.gz NZRZKCJLERQPBU-UHFFFAOYSA-N 1 0 340.427 2.870 50 0 EFAARO Cc1ncc2c(c1CNC(=O)c1ccc(OC(F)F)cc1)CC[NH2+]C2 ZINC000072406815 216197321 /nfs/dbraw/zinc/19/73/21/216197321.db2.gz USSWFMKWIBECTJ-UHFFFAOYSA-N 1 0 347.365 2.567 50 0 EFAARO C=Cc1cccc(-c2nccn2CCC[NH+]2CCC(C(N)=O)CC2)c1 ZINC000072410936 216202106 /nfs/dbraw/zinc/20/21/06/216202106.db2.gz OEJOOYWTWZAWNT-UHFFFAOYSA-N 1 0 338.455 2.781 50 0 EFAARO CC(C)(O)CCc1cccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000072407395 216197641 /nfs/dbraw/zinc/19/76/41/216197641.db2.gz DQHGEWYTKVCSSP-SFHVURJKSA-N 1 0 330.472 2.700 50 0 EFAARO c1cn(CC[NH+]2CCN(Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000072417965 216205798 /nfs/dbraw/zinc/20/57/98/216205798.db2.gz VXYVLKGPDDXUGP-UHFFFAOYSA-N 1 0 347.466 2.763 50 0 EFAARO CN1CC2(CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)CC2)OC1=O ZINC000072419417 216208077 /nfs/dbraw/zinc/20/80/77/216208077.db2.gz CIHFPEKAMYMAOP-UHFFFAOYSA-N 1 0 346.471 2.807 50 0 EFAARO CC(C)(O)CCc1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC000072419220 216208145 /nfs/dbraw/zinc/20/81/45/216208145.db2.gz HGWXGUGIYLVRTJ-UHFFFAOYSA-N 1 0 340.471 2.502 50 0 EFAARO Cc1ncsc1CCCNc1nc(C2CC2)nc2c1CC[NH2+]CC2 ZINC000072421816 216209806 /nfs/dbraw/zinc/20/98/06/216209806.db2.gz AUQGVTANQGYQQS-UHFFFAOYSA-N 1 0 343.500 2.852 50 0 EFAARO c1nc(C[N@@H+]2CCc3ncnc(NCC4=CCCCC4)c3CC2)c[nH]1 ZINC000072421442 216209936 /nfs/dbraw/zinc/20/99/36/216209936.db2.gz ALNVYMIEVDWIJO-UHFFFAOYSA-N 1 0 338.459 2.713 50 0 EFAARO Cc1nc2c(c(N[C@@H](C)c3ccccc3-n3cccn3)n1)CC[NH2+]CC2 ZINC000072422858 216211964 /nfs/dbraw/zinc/21/19/64/216211964.db2.gz ZTVOTLKZITUKID-AWEZNQCLSA-N 1 0 348.454 2.832 50 0 EFAARO OC1CC[NH+](C2CCN(Cc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000072425939 216216680 /nfs/dbraw/zinc/21/66/80/216216680.db2.gz UYWPICGESJLFEU-UHFFFAOYSA-N 1 0 326.843 2.900 50 0 EFAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000072427319 216217047 /nfs/dbraw/zinc/21/70/47/216217047.db2.gz OKTAKJXXYRTMFK-FQEVSTJZSA-N 1 0 342.487 2.582 50 0 EFAARO COc1ccc(-c2n[nH]cc2CN(C)C[C@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000072423929 216213533 /nfs/dbraw/zinc/21/35/33/216213533.db2.gz PVTJWDDOPXAOIP-AWEZNQCLSA-N 1 0 346.450 2.998 50 0 EFAARO COCCc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072423943 216213848 /nfs/dbraw/zinc/21/38/48/216213848.db2.gz PZGMACJIZVKVLC-UHFFFAOYSA-N 1 0 331.847 2.988 50 0 EFAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)Nc1ccc2ncsc2c1 ZINC000072424937 216215084 /nfs/dbraw/zinc/21/50/84/216215084.db2.gz YBMQPCXJHHEGDA-UHFFFAOYSA-N 1 0 341.440 2.557 50 0 EFAARO COc1cccc(C[N@@H+]2CCC[C@H](Nc3nccc(OC)n3)C2)c1 ZINC000072429611 216222536 /nfs/dbraw/zinc/22/25/36/216222536.db2.gz LCSFYIVXAAWGGH-HNNXBMFYSA-N 1 0 328.416 2.570 50 0 EFAARO Cc1nc(CCNc2nc(C)nc3c2CC[NH2+]CC3)sc1Cl ZINC000072428385 216218443 /nfs/dbraw/zinc/21/84/43/216218443.db2.gz MUQSPLRMXPXHNU-UHFFFAOYSA-N 1 0 337.880 2.546 50 0 EFAARO CSc1ccc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)cc1 ZINC000072433568 216228099 /nfs/dbraw/zinc/22/80/99/216228099.db2.gz KLQBLLVVRCYZNQ-UHFFFAOYSA-N 1 0 327.453 2.688 50 0 EFAARO Cc1ncsc1CC[N@@H+](C)Cc1cnc(N2CCCCC2)nc1 ZINC000072433850 216228123 /nfs/dbraw/zinc/22/81/23/216228123.db2.gz HVNOQCMLEQULGA-UHFFFAOYSA-N 1 0 331.489 2.906 50 0 EFAARO c1nc(-c2ccccc2)c(CNc2ncnc3c2CC[NH2+]CC3)s1 ZINC000072435569 216230975 /nfs/dbraw/zinc/23/09/75/216230975.db2.gz PBFWQWJBKRZTKF-UHFFFAOYSA-N 1 0 337.452 2.900 50 0 EFAARO CN(C)Cc1nnc([C@@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)n1C ZINC000072453949 216240456 /nfs/dbraw/zinc/24/04/56/216240456.db2.gz KJJJNUYYVFQPJZ-JGZYNSJSSA-N 1 0 339.487 2.770 50 0 EFAARO C[C@H](C1CCN(C(=O)c2ccn(C(F)F)n2)CC1)[NH+]1CCCC1 ZINC000072473143 216250079 /nfs/dbraw/zinc/25/00/79/216250079.db2.gz CQDQQSKGIMECOB-GFCCVEGCSA-N 1 0 326.391 2.615 50 0 EFAARO CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1ccc(CC)cn1)CC2 ZINC000072463023 216244949 /nfs/dbraw/zinc/24/49/49/216244949.db2.gz BNWHRXKFSJRGRB-SFHVURJKSA-N 1 0 345.487 2.795 50 0 EFAARO C[C@H](C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)n1cccn1 ZINC000072463662 216246707 /nfs/dbraw/zinc/24/67/07/216246707.db2.gz SUJXJVXCMHAKCK-HWWITLHISA-N 1 0 342.487 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337.467 2.714 50 0 EFAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccccc2F)c2ccsc2)CC1 ZINC000022765494 212322434 /nfs/dbraw/zinc/32/24/34/212322434.db2.gz CTRKSAMCZWNWDH-KRWDZBQOSA-N 1 0 347.459 2.606 50 0 EFAARO Cc1nn(CC(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C)c1C ZINC000216004375 240231308 /nfs/dbraw/zinc/23/13/08/240231308.db2.gz RDSSGCGWGBMUGO-INIZCTEOSA-N 1 0 346.500 2.651 50 0 EFAARO O=C1NC[C@H]([NH2+]CCc2ccccc2)n2nc(-c3cccs3)cc21 ZINC000263617488 240388184 /nfs/dbraw/zinc/38/81/84/240388184.db2.gz NZXJOTSWBNHQEK-QGZVFWFLSA-N 1 0 338.436 2.686 50 0 EFAARO COc1c(F)ccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c1F ZINC000215356158 241120734 /nfs/dbraw/zinc/12/07/34/241120734.db2.gz BQEFWRFIFKXINR-CQSZACIVSA-N 1 0 340.414 2.518 50 0 EFAARO FC1(F)CC[NH+](Cc2ccccc2OCCN2CCOCC2)CC1 ZINC000215099772 241104744 /nfs/dbraw/zinc/10/47/44/241104744.db2.gz NVEBXBXPVCNLKY-UHFFFAOYSA-N 1 0 340.414 2.629 50 0 EFAARO Cc1nc2ccccc2nc1C[NH+]1CCC(O)(c2cccnc2)CC1 ZINC000215063448 241106303 /nfs/dbraw/zinc/10/63/03/241106303.db2.gz 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ZINC000215671795 241138175 /nfs/dbraw/zinc/13/81/75/241138175.db2.gz CPBBGCQVTZOOHN-UHFFFAOYSA-N 1 0 327.519 2.571 50 0 EFAARO C[NH+](C)CCNC(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000218278303 241310655 /nfs/dbraw/zinc/31/06/55/241310655.db2.gz SWAYQQUFNGAJOJ-INIZCTEOSA-N 1 0 333.863 2.993 50 0 EFAARO COc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c(F)c1 ZINC000020998421 212198047 /nfs/dbraw/zinc/19/80/47/212198047.db2.gz LDRWSNYBCHFKRY-INIZCTEOSA-N 1 0 338.467 2.749 50 0 EFAARO CC[N@@H+]1CCC[C@H](N2CCc3[nH]nc(-c4cccc(OC)c4)c3C2)C1 ZINC000020919853 212187730 /nfs/dbraw/zinc/18/77/30/212187730.db2.gz GWMKYRJPYPFPGP-INIZCTEOSA-N 1 0 340.471 2.928 50 0 EFAARO OCC[C@@H]1CN(Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000020914081 212185925 /nfs/dbraw/zinc/18/59/25/212185925.db2.gz ITECPZCYJLRLHU-HXUWFJFHSA-N 1 0 328.431 2.895 50 0 EFAARO COc1ccc(CN2CC[N@H+](CC3CC3)C[C@@H]2CCO)c(C)c1C ZINC000020908881 212185673 /nfs/dbraw/zinc/18/56/73/212185673.db2.gz CCYGGZAWASCWBM-IBGZPJMESA-N 1 0 332.488 2.591 50 0 EFAARO NC(=O)c1ccc(OCCC[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000244641232 243050903 /nfs/dbraw/zinc/05/09/03/243050903.db2.gz GLUQDCFPUPATRW-GOSISDBHSA-N 1 0 325.412 2.787 50 0 EFAARO CC(C)CC[N@@H+]1CCN(Cc2cc(F)ccc2F)C[C@@H]1CCO ZINC000020785077 212171593 /nfs/dbraw/zinc/17/15/93/212171593.db2.gz ZGVIOAWMWYBSHF-KRWDZBQOSA-N 1 0 326.431 2.880 50 0 EFAARO Cc1cc(C(=O)N[C@@H]([C@H]2C[C@@H](O)C2)C2CC[NH2+]CC2)ccc1Cl ZINC000244794864 243085112 /nfs/dbraw/zinc/08/51/12/243085112.db2.gz QVIDALFSKFOSKH-HLLBOEOZSA-N 1 0 336.863 2.517 50 0 EFAARO CC[NH+](CC)[C@@H]1CCN(CCC(=O)Nc2cc(F)ccc2F)C1 ZINC000244811829 243085545 /nfs/dbraw/zinc/08/55/45/243085545.db2.gz SLTIISZJTFRITO-CQSZACIVSA-N 1 0 325.403 2.710 50 0 EFAARO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2nnc(C3CC3)s2)on1 ZINC000244828524 243087536 /nfs/dbraw/zinc/08/75/36/243087536.db2.gz TXTDOUOJHUWJRV-LBPRGKRZSA-N 1 0 347.444 2.878 50 0 EFAARO Cc1nccn1CC1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000244874603 243093436 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Cc1ccc2nccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3CO)c2c1 ZINC000244742059 243073365 /nfs/dbraw/zinc/07/33/65/243073365.db2.gz OBFRIKSFPKRPAI-MRXNPFEDSA-N 1 0 341.455 2.510 50 0 EFAARO c1ccc2c(c1)CC(N1CCC[C@H]([NH2+]Cc3ccc4nonc4c3)C1)C2 ZINC000020777798 212169941 /nfs/dbraw/zinc/16/99/41/212169941.db2.gz DXIFJDGLWVZRBJ-SFHVURJKSA-N 1 0 348.450 2.944 50 0 EFAARO C[NH+]1CCN(CCOc2ccccc2OCc2ccccc2)CC1 ZINC000020652792 212160781 /nfs/dbraw/zinc/16/07/81/212160781.db2.gz BMSVWXIUGVMSEV-UHFFFAOYSA-N 1 0 326.440 2.892 50 0 EFAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020725839 212165089 /nfs/dbraw/zinc/16/50/89/212165089.db2.gz QKKPKTGJQZUOND-MRXNPFEDSA-N 1 0 326.868 2.638 50 0 EFAARO CN(Cc1cccc(C[NH+](C)C)c1)C(=O)c1ccc2c(c1)OCCO2 ZINC000020637442 212158864 /nfs/dbraw/zinc/15/88/64/212158864.db2.gz SQSHWAWEMBCJFS-UHFFFAOYSA-N 1 0 340.423 2.792 50 0 EFAARO Fc1ccc(-c2cn(CC3CC[NH+](C[C@H]4CCOC4)CC3)nn2)cc1 ZINC000020600883 212151323 /nfs/dbraw/zinc/15/13/23/212151323.db2.gz QUFIYIQKVRYQAE-MRXNPFEDSA-N 1 0 344.434 2.833 50 0 EFAARO Cc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)o1 ZINC000020601735 212151175 /nfs/dbraw/zinc/15/11/75/212151175.db2.gz IVZNAXKLDGIPFG-IBGZPJMESA-N 1 0 328.456 2.965 50 0 EFAARO CSc1cccc(C[NH+]2CCC(Cn3cc([C@H](C)O)nn3)CC2)c1 ZINC000020598882 212150872 /nfs/dbraw/zinc/15/08/72/212150872.db2.gz IHVYDEYHIPSSQM-AWEZNQCLSA-N 1 0 346.500 2.966 50 0 EFAARO CCC[NH+]1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000020595171 212150002 /nfs/dbraw/zinc/15/00/02/212150002.db2.gz CUEVNYBLZOIPCY-UHFFFAOYSA-N 1 0 329.366 2.672 50 0 EFAARO CC(C)[NH+]1CCC(NC(=O)COc2ccc(F)cc2Cl)CC1 ZINC000020549640 212146983 /nfs/dbraw/zinc/14/69/83/212146983.db2.gz NYNGIYWJRDRPJZ-UHFFFAOYSA-N 1 0 328.815 2.847 50 0 EFAARO C[NH+](C)C[C@H](O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000076556444 216790923 /nfs/dbraw/zinc/79/09/23/216790923.db2.gz YTCUZCMHOROESO-HNNXBMFYSA-N 1 0 325.412 2.538 50 0 EFAARO C[C@H]1CCC[N@H+](CCC(=O)N(C)Cc2ccccc2-n2cccn2)C1 ZINC000020536749 212144884 /nfs/dbraw/zinc/14/48/84/212144884.db2.gz MBYXCJGZRPAVRH-KRWDZBQOSA-N 1 0 340.471 2.953 50 0 EFAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NC1CC1 ZINC000020509567 212141365 /nfs/dbraw/zinc/14/13/65/212141365.db2.gz XWFWOFBXVIABQJ-UHFFFAOYSA-N 1 0 349.478 2.672 50 0 EFAARO Cc1cc(C)nc(C[N@H+](C)CCC(=O)NCc2ccccc2F)c1 ZINC000252500048 243821286 /nfs/dbraw/zinc/82/12/86/243821286.db2.gz SMKMSWDVVXVEEY-UHFFFAOYSA-N 1 0 329.419 2.976 50 0 EFAARO COc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)cc1C ZINC000020453379 212131348 /nfs/dbraw/zinc/13/13/48/212131348.db2.gz OCQTUHHROLVADW-SFHVURJKSA-N 1 0 334.504 2.918 50 0 EFAARO CN(C)CC[NH2+]CCOCCOc1ccccc1-c1ccccc1 ZINC000020418770 212127363 /nfs/dbraw/zinc/12/73/63/212127363.db2.gz YBNGCGQBBBCNTH-UHFFFAOYSA-N 1 0 328.456 2.900 50 0 EFAARO Clc1ccc(OCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000020272505 212115756 /nfs/dbraw/zinc/11/57/56/212115756.db2.gz ALZQFKGRSDXUBZ-UHFFFAOYSA-N 1 0 333.657 2.777 50 0 EFAARO Clc1cccc(-c2noc(CN3CC[NH+](CC4CC4)CC3)n2)c1 ZINC000020321522 212118426 /nfs/dbraw/zinc/11/84/26/212118426.db2.gz CXXGQARBJGRWIX-UHFFFAOYSA-N 1 0 332.835 2.918 50 0 EFAARO CCC[N@H+](CC1CC1)[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000020136373 212105072 /nfs/dbraw/zinc/10/50/72/212105072.db2.gz HJTRDPKZAFDUEA-KRWDZBQOSA-N 1 0 330.428 2.839 50 0 EFAARO O=C(NC[C@H]1CCCO1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100386 212100314 /nfs/dbraw/zinc/10/03/14/212100314.db2.gz CDERYUZQIITBIG-QGZVFWFLSA-N 1 0 336.863 2.847 50 0 EFAARO CCOc1cc(Cl)c(C[NH2+]CCCN2CCOCC2)cc1OC ZINC000020027244 212094488 /nfs/dbraw/zinc/09/44/88/212094488.db2.gz XTKVLZHQXCNBSP-UHFFFAOYSA-N 1 0 342.867 2.559 50 0 EFAARO CO[C@H](c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1)c1ccccc1 ZINC000019885103 212080147 /nfs/dbraw/zinc/08/01/47/212080147.db2.gz YQMIDHDVKCLANN-KRWDZBQOSA-N 1 0 336.395 2.822 50 0 EFAARO COc1ccc(CN2CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(OC)c1 ZINC000019889892 212079299 /nfs/dbraw/zinc/07/92/99/212079299.db2.gz VIUNDWBJIPFQCY-HOTGVXAUSA-N 1 0 348.487 2.777 50 0 EFAARO CSc1ccc(CCN2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000019883576 212079440 /nfs/dbraw/zinc/07/94/40/212079440.db2.gz OETQQVLIAWBVCU-OALUTQOASA-N 1 0 334.529 2.872 50 0 EFAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCOCC1 ZINC000019872100 212077434 /nfs/dbraw/zinc/07/74/34/212077434.db2.gz LIDPAXYOAAYBOX-UHFFFAOYSA-N 1 0 333.259 2.814 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1CCO ZINC000019851219 212076549 /nfs/dbraw/zinc/07/65/49/212076549.db2.gz WJENQJNEPSSZMO-IBGZPJMESA-N 1 0 342.487 2.601 50 0 EFAARO C[C@@H]1C[NH+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000019841354 212073884 /nfs/dbraw/zinc/07/38/84/212073884.db2.gz LDZNUSPFEHIING-VXGBXAGGSA-N 1 0 341.249 2.887 50 0 EFAARO Cc1cccc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)n1 ZINC000019841718 212074315 /nfs/dbraw/zinc/07/43/15/212074315.db2.gz WVURIEYFLRZSOD-NRFANRHFSA-N 1 0 339.483 2.501 50 0 EFAARO C/C=C(\C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cn(CC)nc2C)C1 ZINC000019836956 212074369 /nfs/dbraw/zinc/07/43/69/212074369.db2.gz QNUJIGNYSLTCME-LORLSUQVSA-N 1 0 344.503 2.991 50 0 EFAARO COc1cccc2c1OC[C@H]([NH2+]Cc1cccn1-c1ccccn1)C2 ZINC000019792769 212067481 /nfs/dbraw/zinc/06/74/81/212067481.db2.gz XFMAQRPBNSMFNP-MRXNPFEDSA-N 1 0 335.407 2.974 50 0 EFAARO COc1ccc(F)c(CN2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)c1 ZINC000019789453 212066731 /nfs/dbraw/zinc/06/67/31/212066731.db2.gz ORGROUCCNGGJFQ-QGZVFWFLSA-N 1 0 336.451 2.503 50 0 EFAARO Cc1ccc(OCC(=O)N2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000019790225 212066479 /nfs/dbraw/zinc/06/64/79/212066479.db2.gz ZGQBEUIPEJRIMW-SFHVURJKSA-N 1 0 328.456 2.874 50 0 EFAARO Cc1ccc(OCC(=O)N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019790226 212066322 /nfs/dbraw/zinc/06/63/22/212066322.db2.gz ZGQBEUIPEJRIMW-GOSISDBHSA-N 1 0 328.456 2.874 50 0 EFAARO CCCc1cc(=O)[nH]c(-c2ccc(CN(C)[C@@H]3CC[N@H+](C)C3)cc2)n1 ZINC000019720847 212058623 /nfs/dbraw/zinc/05/86/23/212058623.db2.gz DAAYISBRFQWXRB-GOSISDBHSA-N 1 0 340.471 2.525 50 0 EFAARO C[C@H]1CCC[N@H+](CCC(=O)N(C)Cc2ccc(-n3cccn3)cc2)C1 ZINC000019633234 212053264 /nfs/dbraw/zinc/05/32/64/212053264.db2.gz YFXNVTJOXWYDSS-KRWDZBQOSA-N 1 0 340.471 2.953 50 0 EFAARO C[NH+](C)CC[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CCO1 ZINC000019637270 212052667 /nfs/dbraw/zinc/05/26/67/212052667.db2.gz XBOGQHPXQDAWPI-INIZCTEOSA-N 1 0 331.485 2.963 50 0 EFAARO C[N@@H+]1CCN(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1CCO ZINC000019642027 212052567 /nfs/dbraw/zinc/05/25/67/212052567.db2.gz RGPGXMFZEAIJGX-FQEVSTJZSA-N 1 0 340.467 2.764 50 0 EFAARO COc1cc(CN2CC[NH+](Cc3ccccc3)CC2)cc2c1OCO2 ZINC000019606601 212051359 /nfs/dbraw/zinc/05/13/59/212051359.db2.gz DYDMHOCCGYAHEG-UHFFFAOYSA-N 1 0 340.423 2.742 50 0 EFAARO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1ccccc1 ZINC000035080286 296157262 /nfs/dbraw/zinc/15/72/62/296157262.db2.gz HGOOISFRTZCVFQ-DJIMGWMZSA-N 1 0 334.460 2.955 50 0 EFAARO COc1cc(CN2CC[NH+](C3CCCC3)CC2)cc(OC)c1OC ZINC000019361660 212021235 /nfs/dbraw/zinc/02/12/35/212021235.db2.gz NZTCEJSRHNKQQE-UHFFFAOYSA-N 1 0 334.460 2.773 50 0 EFAARO COc1cccc([C@H](O)C[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000049420905 214006998 /nfs/dbraw/zinc/00/69/98/214006998.db2.gz ITWKOHXGGIYVBO-HXUWFJFHSA-N 1 0 326.440 2.859 50 0 biogenic EFAARO Cc1ncc2c(c1-c1noc(C3Cc4ccccc4C3)n1)CC[NH2+]C2 ZINC000019228578 212007190 /nfs/dbraw/zinc/00/71/90/212007190.db2.gz UEIFXFHSZWLERZ-UHFFFAOYSA-N 1 0 332.407 2.968 50 0 EFAARO CCCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1ccc(C)o1)C2 ZINC000019145369 212002360 /nfs/dbraw/zinc/00/23/60/212002360.db2.gz ODQNCNHJMBNQNU-AWEZNQCLSA-N 1 0 344.459 2.543 50 0 EFAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccs3)C2=O)cc1 ZINC000018137915 211983983 /nfs/dbraw/zinc/98/39/83/211983983.db2.gz YQBAKFDSZZSHKP-INIZCTEOSA-N 1 0 344.436 2.959 50 0 EFAARO COC(=O)c1sccc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000017066641 211947475 /nfs/dbraw/zinc/94/74/75/211947475.db2.gz NYHISCCYSOMLNI-UHFFFAOYSA-N 1 0 325.434 2.529 50 0 EFAARO c1nnc(CC2CC[NH+](C[C@H]3CCOC3)CC2)n1-c1ccccc1 ZINC000082116171 217470735 /nfs/dbraw/zinc/47/07/35/217470735.db2.gz DCFHBQGGPJIKOB-QGZVFWFLSA-N 1 0 326.444 2.558 50 0 EFAARO Cc1cc(-c2cccs2)cc(C)[n+]1-c1ccc(S(N)(=O)=O)cc1 ZINC000013897692 211655049 /nfs/dbraw/zinc/65/50/49/211655049.db2.gz FPJIYCIKVIFECL-UHFFFAOYSA-N 1 0 345.469 2.956 50 0 EFAARO O=C(CCc1ccc2c(c1)CCO2)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000085876202 217686050 /nfs/dbraw/zinc/68/60/50/217686050.db2.gz UHDLBSVWLKMWNJ-RBUKOAKNSA-N 1 0 342.483 2.935 50 0 biogenic EFAARO C[NH2+]Cc1nnc(SCc2ccccc2OC(F)(F)F)n1C ZINC000426387217 247272493 /nfs/dbraw/zinc/27/24/93/247272493.db2.gz FZSXJTZSWJZYBD-UHFFFAOYSA-N 1 0 332.351 2.725 50 0 EFAARO CN(C/C=C/c1ccccc1)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426387778 247272795 /nfs/dbraw/zinc/27/27/95/247272795.db2.gz AVCRABMTXMRWJA-YOCVDRLZSA-N 1 0 338.455 2.522 50 0 EFAARO C[NH2+]Cc1nnc(SCC[C@H]2CCOC2)n1-c1cccc(OC)c1 ZINC000426389872 247274560 /nfs/dbraw/zinc/27/45/60/247274560.db2.gz QEEBPDOVZXYBFJ-CYBMUJFWSA-N 1 0 348.472 2.514 50 0 EFAARO C[C@@H](C[NH+](C)C)NC(=O)c1cccc(-c2ccc(CCO)cc2)c1 ZINC000426407733 247277503 /nfs/dbraw/zinc/27/75/03/247277503.db2.gz ZSJMJGCOQVHBPD-HNNXBMFYSA-N 1 0 326.440 2.568 50 0 EFAARO CO[C@]12CC[N@H+](Cc3[nH]cnc3C)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426491398 247287205 /nfs/dbraw/zinc/28/72/05/247287205.db2.gz IGPLYHLTFAXFHP-HHXXYDBFSA-N 1 0 342.443 2.704 50 0 EFAARO Cc1ccc(OCC[NH3+])c(C(=O)N2C[C@H]3[C@@H](C2)C2CCC3CC2)c1 ZINC000426508141 247290487 /nfs/dbraw/zinc/29/04/87/247290487.db2.gz TYDQDEWROYZEHJ-SAJCDORXSA-N 1 0 328.456 2.841 50 0 EFAARO COc1cc(C[N@@H+]2CC[C@]3(OC)CC[C@H](OCCO)C[C@H]23)ccc1C ZINC000426571551 247291462 /nfs/dbraw/zinc/29/14/62/247291462.db2.gz CWSBLGVOQZLCOB-YSIASYRMSA-N 1 0 349.471 2.525 50 0 EFAARO O=C(c1onc2c1CCCC2)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000426730425 247293699 /nfs/dbraw/zinc/29/36/99/247293699.db2.gz NYSICNPDAHCXSP-HZPDHXFCSA-N 1 0 343.471 2.890 50 0 EFAARO Cn1c(CC[NH3+])nnc1SCc1cccc(F)c1C(F)(F)F ZINC000426730528 247293806 /nfs/dbraw/zinc/29/38/06/247293806.db2.gz VHXPMROKWQOYFE-UHFFFAOYSA-N 1 0 334.342 2.767 50 0 EFAARO Cc1ccc(C(=O)N(Cc2nccs2)C2CC2)cc1OCC[NH3+] ZINC000426730395 247294717 /nfs/dbraw/zinc/29/47/17/247294717.db2.gz JZLBHTQSZHIXCH-UHFFFAOYSA-N 1 0 331.441 2.594 50 0 EFAARO C[NH+]1CCC(CC(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)CC1 ZINC000012431921 211378442 /nfs/dbraw/zinc/37/84/42/211378442.db2.gz SNGZNKJYAHVINF-SFHVURJKSA-N 1 0 347.478 2.638 50 0 EFAARO O=C(C[NH+]1CCCCC1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000012443255 211384273 /nfs/dbraw/zinc/38/42/73/211384273.db2.gz DJQWLENIJYGZDT-UHFFFAOYSA-N 1 0 342.418 2.586 50 0 EFAARO Cc1cc(C(=O)N2CCC([C@@H]3CC[N@H+](CC(C)(C)C)C3)CC2)[nH]n1 ZINC000012445239 211384054 /nfs/dbraw/zinc/38/40/54/211384054.db2.gz GKOTZKULKHCRTL-MRXNPFEDSA-N 1 0 332.492 2.938 50 0 EFAARO C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NC1CC[NH+](C)CC1 ZINC000012380602 211361389 /nfs/dbraw/zinc/36/13/89/211361389.db2.gz YYHSSVIZIGMGGV-SNVBAGLBSA-N 1 0 331.243 2.971 50 0 EFAARO C[C@@H]1CCC[C@@H]1OC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000012414233 211372805 /nfs/dbraw/zinc/37/28/05/211372805.db2.gz WERHEAMZFYEFSA-MNEFBYGVSA-N 1 0 336.451 2.514 50 0 EFAARO COc1cccc(CN2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000012363340 211356190 /nfs/dbraw/zinc/35/61/90/211356190.db2.gz CNJDQQJIVOHZAX-IYBDPMFKSA-N 1 0 348.487 2.777 50 0 EFAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000012308103 211341875 /nfs/dbraw/zinc/34/18/75/211341875.db2.gz YITODVMWRVMZRP-FQEVSTJZSA-N 1 0 326.440 2.907 50 0 EFAARO O=C1CC[N@H+](C[C@H]2CC=CCC2)CCN1CCOc1ccccc1 ZINC000012283281 211332602 /nfs/dbraw/zinc/33/26/02/211332602.db2.gz MIEQWOQBFKOGGH-SFHVURJKSA-N 1 0 328.456 2.956 50 0 EFAARO Cc1ncc(C[NH2+][C@H]2CC(=O)N(Cc3cccc4ccccc43)C2)[nH]1 ZINC000012302729 211340524 /nfs/dbraw/zinc/34/05/24/211340524.db2.gz CQOWXMZPZFKPDA-KRWDZBQOSA-N 1 0 334.423 2.762 50 0 EFAARO COc1ccc(CCN2C[C@@H]([NH2+]Cc3cccc(F)c3)CC2=O)cc1 ZINC000012304216 211340042 /nfs/dbraw/zinc/34/00/42/211340042.db2.gz INCXPRNEMKZFNU-SFHVURJKSA-N 1 0 342.414 2.768 50 0 EFAARO O=C(CCN1CCCCO1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012111934 211291935 /nfs/dbraw/zinc/29/19/35/211291935.db2.gz HRSUFQPCRLNLTB-SFHVURJKSA-N 1 0 337.508 2.565 50 0 EFAARO CC(=O)N1CCC(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000012053238 211284025 /nfs/dbraw/zinc/28/40/25/211284025.db2.gz WZPWZSJVFAVYJK-GOSISDBHSA-N 1 0 349.519 2.548 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(CCOc1cccc(C)c1C)C2 ZINC000091416472 218001875 /nfs/dbraw/zinc/00/18/75/218001875.db2.gz WEUWWOIKFYTPIJ-RBUKOAKNSA-N 1 0 332.488 2.725 50 0 EFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCCN1CCCc2ccccc21 ZINC000091411382 218002519 /nfs/dbraw/zinc/00/25/19/218002519.db2.gz BXFCMBGQDIYBND-LJQANCHMSA-N 1 0 329.488 2.820 50 0 EFAARO Cc1cnn(CC2CC[NH+](Cc3cc(=O)c4ccccc4[nH]3)CC2)c1 ZINC000091426141 218003694 /nfs/dbraw/zinc/00/36/94/218003694.db2.gz BAYDFQAKOWBXNW-UHFFFAOYSA-N 1 0 336.439 2.945 50 0 EFAARO CC(=O)N[C@H]1C[N@@H+](C2CCN(c3ccccc3F)CC2)C[C@@H]1C1CC1 ZINC000091440788 218006305 /nfs/dbraw/zinc/00/63/05/218006305.db2.gz MKDQRQOTZLIWMD-MJGOQNOKSA-N 1 0 345.462 2.641 50 0 EFAARO COc1ccc(F)c(C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1 ZINC000091452154 218008201 /nfs/dbraw/zinc/00/82/01/218008201.db2.gz WGKFREWTWAVLPR-KUHUBIRLSA-N 1 0 337.435 2.834 50 0 EFAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C(C)=O)CC2)C1 ZINC000091452609 218009155 /nfs/dbraw/zinc/00/91/55/218009155.db2.gz OXOWLQBIMPWRCA-GOSISDBHSA-N 1 0 328.456 2.694 50 0 EFAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)COC)CC2)C1 ZINC000091452360 218009189 /nfs/dbraw/zinc/00/91/89/218009189.db2.gz SXWDYGUDDPXUQD-SFHVURJKSA-N 1 0 330.472 2.751 50 0 EFAARO Cc1ccc2[nH]c(CN3CC([N@H+]4CCCC[C@@H]4C)C3)cc(=O)c2c1 ZINC000091475599 218011737 /nfs/dbraw/zinc/01/17/37/218011737.db2.gz ZZNBGDNTYVMBLV-HNNXBMFYSA-N 1 0 325.456 2.895 50 0 EFAARO CC(C)N1CCC[C@]2(CC[N@H+](Cc3nc(-c4ccco4)no3)C2)C1=O ZINC000091486979 218013200 /nfs/dbraw/zinc/01/32/00/218013200.db2.gz ZENRRGMRVGMSAJ-GOSISDBHSA-N 1 0 344.415 2.553 50 0 EFAARO O=C(c1cnc2ccccn12)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091619883 218032303 /nfs/dbraw/zinc/03/23/03/218032303.db2.gz VCVTWNRISSGMGY-IAGOWNOFSA-N 1 0 338.455 2.671 50 0 EFAARO COCC[C@]1(O)CC[N@H+](Cc2cc(F)ccc2-n2cccn2)C[C@H]1C ZINC000091551688 218021494 /nfs/dbraw/zinc/02/14/94/218021494.db2.gz UKUYBBNBDSVCMX-DNVCBOLYSA-N 1 0 347.434 2.621 50 0 EFAARO COC(=O)CC[C@@H](C)[N@@H+]1CCc2[nH]nc(-c3cccc(OC)c3)c2C1 ZINC000011819951 211252870 /nfs/dbraw/zinc/25/28/70/211252870.db2.gz KDMILPMEJAJJSX-CYBMUJFWSA-N 1 0 343.427 2.785 50 0 EFAARO Cc1nnsc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091695774 218050157 /nfs/dbraw/zinc/05/01/57/218050157.db2.gz UEQNEMRNBURKFR-DLBZAZTESA-N 1 0 328.485 2.943 50 0 EFAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)C1CCCCC1 ZINC000011697761 211239110 /nfs/dbraw/zinc/23/91/10/211239110.db2.gz BIJSTFDRXJKPET-UHFFFAOYSA-N 1 0 340.431 2.724 50 0 EFAARO Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCOCC2)C3=O)c1 ZINC000091713039 218052322 /nfs/dbraw/zinc/05/23/22/218052322.db2.gz RJNZPPJLCFSTHC-NRFANRHFSA-N 1 0 342.483 2.989 50 0 EFAARO Cc1cc(C)c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(=O)[nH]1 ZINC000091636392 218036745 /nfs/dbraw/zinc/03/67/45/218036745.db2.gz IMCLALJLTZTTJG-KRWDZBQOSA-N 1 0 339.439 2.559 50 0 EFAARO O=C1N(CC2CC2)CCC[C@]12CC[N@@H+](C1CSCCSC1)C2 ZINC000091644821 218037377 /nfs/dbraw/zinc/03/73/77/218037377.db2.gz MDBAMIGFSXJVDC-QGZVFWFLSA-N 1 0 340.558 2.560 50 0 EFAARO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC[C@@]1(O)C1CCOCC1 ZINC000091644354 218038040 /nfs/dbraw/zinc/03/80/40/218038040.db2.gz SGCOROLLCPTROR-ACJLOTCBSA-N 1 0 325.399 2.964 50 0 EFAARO Cc1noc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000091656706 218040717 /nfs/dbraw/zinc/04/07/17/218040717.db2.gz SNAQDUNIBPXHJI-GOSISDBHSA-N 1 0 332.448 2.525 50 0 EFAARO CCN1CC2(CCC1=O)CC[NH+](Cc1cn3ccccc3n1)CC2 ZINC000091663618 218041836 /nfs/dbraw/zinc/04/18/36/218041836.db2.gz ZKNYTAHKGSRJPT-UHFFFAOYSA-N 1 0 326.444 2.559 50 0 EFAARO COCC[C@]1(CO)CCC[N@H+](CC2=Cc3cccc(OC)c3OC2)C1 ZINC000091663685 218042135 /nfs/dbraw/zinc/04/21/35/218042135.db2.gz LWLSAPKFTHMTFY-HXUWFJFHSA-N 1 0 347.455 2.582 50 0 EFAARO CCNc1ncc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cn1 ZINC000091657128 218042175 /nfs/dbraw/zinc/04/21/75/218042175.db2.gz XYQFHFKOTZHSAL-UHFFFAOYSA-N 1 0 345.491 2.827 50 0 EFAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(c3cc(N)ncn3)CC2)C1 ZINC000091657173 218042478 /nfs/dbraw/zinc/04/24/78/218042478.db2.gz TYNOIZQBDCTZTD-QGZVFWFLSA-N 1 0 337.471 2.765 50 0 EFAARO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CCCOCc2ccccc2)C1 ZINC000091665724 218043866 /nfs/dbraw/zinc/04/38/66/218043866.db2.gz XDXAGXPUNZWUKE-RTBURBONSA-N 1 0 345.487 2.671 50 0 EFAARO Cn1c(CN2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)cc2ccccc21 ZINC000091665509 218044417 /nfs/dbraw/zinc/04/44/17/218044417.db2.gz KTDAMDFDLZNFHO-MJGOQNOKSA-N 1 0 329.488 2.703 50 0 EFAARO Cc1ccc([C@H]2CN(C(=O)c3c[nH]nc3C3CCCCC3)C[C@@H]2[NH3+])o1 ZINC000091745717 218056680 /nfs/dbraw/zinc/05/66/80/218056680.db2.gz ZJWMQGURVIRMFC-HOTGVXAUSA-N 1 0 342.443 2.926 50 0 EFAARO CC1CC[NH+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000011667061 211231510 /nfs/dbraw/zinc/23/15/10/211231510.db2.gz PQBYUGTXQQZNQE-UHFFFAOYSA-N 1 0 335.879 2.721 50 0 EFAARO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@H+]2CCCn2cccc2)C1 ZINC000091755650 218059330 /nfs/dbraw/zinc/05/93/30/218059330.db2.gz CGCWLFXGNAGMBB-QZTJIDSGSA-N 1 0 338.455 2.510 50 0 EFAARO Cc1ccc([C@H](Cn2cc(-c3cnn(C(C)C)c3)nn2)[NH+](C)C)o1 ZINC000091754754 218059769 /nfs/dbraw/zinc/05/97/69/218059769.db2.gz RNSGONBHBYFYLS-INIZCTEOSA-N 1 0 328.420 2.927 50 0 EFAARO COc1ccccc1C[NH2+][C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000011661922 211230217 /nfs/dbraw/zinc/23/02/17/211230217.db2.gz RJBQEOFTSYTYHD-GOSISDBHSA-N 1 0 336.435 2.553 50 0 EFAARO Cc1ncc(C[NH+]2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)cn1 ZINC000091908240 218086615 /nfs/dbraw/zinc/08/66/15/218086615.db2.gz YQHZNQMEMKRNCK-UHFFFAOYSA-N 1 0 342.487 2.932 50 0 EFAARO O=C1CCC2(CC[NH+](C/C=C/c3ccc(F)cc3)CC2)CN1CCO ZINC000091987385 218099584 /nfs/dbraw/zinc/09/95/84/218099584.db2.gz BIAYDKCLLCTPBS-OWOJBTEDSA-N 1 0 346.446 2.536 50 0 EFAARO CN1CCC[C@]2(CC[N@H+](Cc3c[nH]nc3C3CCCCC3)C2)C1=O ZINC000092028691 218105756 /nfs/dbraw/zinc/10/57/56/218105756.db2.gz ASIQNWSEMQAWKR-LJQANCHMSA-N 1 0 330.476 2.902 50 0 EFAARO C[C@@H]1C[N@H+](Cc2cccc(N3CCOCC3)c2)CC[C@@]1(O)C1CCC1 ZINC000092037020 218107743 /nfs/dbraw/zinc/10/77/43/218107743.db2.gz CFJWLOWATJRXJO-UTKZUKDTSA-N 1 0 344.499 2.896 50 0 EFAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](Cc2ccccc2OCCO)C1 ZINC000091943073 218092647 /nfs/dbraw/zinc/09/26/47/218092647.db2.gz JDYFYXULWDUBOU-FQEVSTJZSA-N 1 0 333.472 2.989 50 0 EFAARO Cc1cccc(C[NH+]2CCC3(CCC(=O)N(CCCO)C3)CC2)c1 ZINC000091965921 218095648 /nfs/dbraw/zinc/09/56/48/218095648.db2.gz OUEZYBMTBHXVLP-UHFFFAOYSA-N 1 0 330.472 2.582 50 0 EFAARO COc1ccc2c(C)c(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3OC)oc2c1 ZINC000092077787 218116277 /nfs/dbraw/zinc/11/62/77/218116277.db2.gz 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CCCO[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000095352225 218285828 /nfs/dbraw/zinc/28/58/28/218285828.db2.gz QMHDFTMJIUJKAL-SFHVURJKSA-N 1 0 334.460 2.909 50 0 EFAARO CCc1ccc(C[N@@H+]2C[C@@H]3c4ccc(OC)cc4OC[C@]3(CO)C2)o1 ZINC000095360086 218293196 /nfs/dbraw/zinc/29/31/96/218293196.db2.gz OWDSTCUFFOTORH-UYAOXDASSA-N 1 0 343.423 2.821 50 0 EFAARO C[C@@H](Nc1nc(N)[nH+]c2c1CCCC2)c1ccc2c(c1)OCCO2 ZINC000095355468 218289764 /nfs/dbraw/zinc/28/97/64/218289764.db2.gz CYCJRDDVWMDNGB-LLVKDONJSA-N 1 0 326.400 2.882 50 0 EFAARO Cc1ccc2c(c1)c(CNC(=O)C1CC[NH+](C(C)C)CC1)nn2C ZINC000095355149 218289784 /nfs/dbraw/zinc/28/97/84/218289784.db2.gz DJZXAIUVOPGUBU-UHFFFAOYSA-N 1 0 328.460 2.618 50 0 EFAARO Cc1nn(C)c(C)c1[C@H](C)NC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095356539 218290684 /nfs/dbraw/zinc/29/06/84/218290684.db2.gz YWGIJHMCHWNPET-ZDUSSCGKSA-N 1 0 344.459 2.719 50 0 EFAARO COC(=O)c1ccc2ccn(CC[C@H]3CCCC[N@@H+]3C)c(=O)c2c1 ZINC000095366796 218299138 /nfs/dbraw/zinc/29/91/38/218299138.db2.gz QIOAFVVNFYXPSC-MRXNPFEDSA-N 1 0 328.412 2.663 50 0 EFAARO COc1ccc(-c2cn(C[C@H](c3ccc(C)o3)[NH+](C)C)nn2)cn1 ZINC000095366082 218299404 /nfs/dbraw/zinc/29/94/04/218299404.db2.gz SWLHCFKFXCENLK-OAHLLOKOSA-N 1 0 327.388 2.553 50 0 EFAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N[C@@H](CO)Cc1ccccc1 ZINC000095366873 218299534 /nfs/dbraw/zinc/29/95/34/218299534.db2.gz JSOHCUDDAOGWKN-XUVXKRRUSA-N 1 0 344.499 2.751 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1-n1ccnc1 ZINC000095366341 218299565 /nfs/dbraw/zinc/29/95/65/218299565.db2.gz ZOVITEIWTPXHOK-KRWDZBQOSA-N 1 0 326.444 2.753 50 0 EFAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCCc2nc(C)c(Cl)s2)C1 ZINC000095367144 218299601 /nfs/dbraw/zinc/29/96/01/218299601.db2.gz VWKFKTVYWZWJOL-OAHLLOKOSA-N 1 0 329.897 2.886 50 0 EFAARO COc1ccc([C@@H]2CN(C(=O)c3ccsc3)C[C@H]2[NH+](C)C)cc1 ZINC000095361088 218294582 /nfs/dbraw/zinc/29/45/82/218294582.db2.gz TZUQRMNXKSPLLV-DLBZAZTESA-N 1 0 330.453 2.927 50 0 EFAARO Cc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)on1 ZINC000095363667 218296613 /nfs/dbraw/zinc/29/66/13/218296613.db2.gz ZGABEJMWZIPMPJ-IAGOWNOFSA-N 1 0 325.412 2.720 50 0 EFAARO C[C@H](Cc1cnccn1)[NH2+]C1CCN(c2nc3ccccc3o2)CC1 ZINC000095374378 218307887 /nfs/dbraw/zinc/30/78/87/218307887.db2.gz KJGMJXAOAPRZDX-CQSZACIVSA-N 1 0 337.427 2.807 50 0 EFAARO CCCc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)[nH]n1 ZINC000095375299 218307966 /nfs/dbraw/zinc/30/79/66/218307966.db2.gz QPAMKFIIVXNDHZ-HNNXBMFYSA-N 1 0 344.459 2.826 50 0 EFAARO O=C(CCC[NH+]1CCCCC1)N1CCCN(c2ccccc2)CC1 ZINC000095368872 218301694 /nfs/dbraw/zinc/30/16/94/218301694.db2.gz RWOREVJMPJJHFX-UHFFFAOYSA-N 1 0 329.488 2.991 50 0 EFAARO COCCN1C[C@H]2CC[C@@H]1C[N@H+](CCOc1ccc(C)c(C)c1)C2 ZINC000095371202 218303683 /nfs/dbraw/zinc/30/36/83/218303683.db2.gz LLSNOICBKVXHSL-RBUKOAKNSA-N 1 0 332.488 2.725 50 0 EFAARO OCCOc1ccccc1CN1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095373924 218306199 /nfs/dbraw/zinc/30/61/99/218306199.db2.gz YGMSGPQWCUFPAX-AZUAARDMSA-N 1 0 344.499 2.754 50 0 EFAARO CCOCCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095373927 218306754 /nfs/dbraw/zinc/30/67/54/218306754.db2.gz PRKLUMYKBDGEKK-DFQSSKMNSA-N 1 0 346.446 2.641 50 0 EFAARO CC[N@@H+]1CCC[C@@](C)(C(=O)N2CC(OCc3ccccc3F)C2)C1 ZINC000095376810 218309959 /nfs/dbraw/zinc/30/99/59/218309959.db2.gz YQMSALIEYDDAKW-LJQANCHMSA-N 1 0 334.435 2.675 50 0 EFAARO COc1ccc([C@@H]2CN(C(=O)c3scnc3C)C[C@H]2[NH+](C)C)cc1 ZINC000095378900 218311573 /nfs/dbraw/zinc/31/15/73/218311573.db2.gz XJFQQHMQTRSSNZ-JKSUJKDBSA-N 1 0 345.468 2.630 50 0 EFAARO C[C@@H](Cc1cnccn1)NC(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095379629 218312383 /nfs/dbraw/zinc/31/23/83/218312383.db2.gz IBFHOSWCQALANU-HNNXBMFYSA-N 1 0 330.476 2.569 50 0 EFAARO CCOCCOc1cccc(C(=O)N2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)c1 ZINC000095380656 218312675 /nfs/dbraw/zinc/31/26/75/218312675.db2.gz BUHBTDLNRXROOI-RBUKOAKNSA-N 1 0 348.487 2.760 50 0 EFAARO CCc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)no1 ZINC000095379504 218312747 /nfs/dbraw/zinc/31/27/47/218312747.db2.gz RKVFXQUDDGGOSL-IAGOWNOFSA-N 1 0 339.439 2.974 50 0 EFAARO CN(CCC[C@H]1CCCO1)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095381123 218313987 /nfs/dbraw/zinc/31/39/87/218313987.db2.gz JBLLFZZKNHYTHF-KRWDZBQOSA-N 1 0 334.460 2.909 50 0 EFAARO Cc1nn(CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)c(C)c1Cl ZINC000095381892 218314513 /nfs/dbraw/zinc/31/45/13/218314513.db2.gz RPNKOWYZONMWBY-AWEZNQCLSA-N 1 0 326.872 2.534 50 0 EFAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCCc2noc(C3CCCC3)n2)C1 ZINC000095382250 218315114 /nfs/dbraw/zinc/31/51/14/218315114.db2.gz WEFAIHLFMFDMIP-GOSISDBHSA-N 1 0 334.464 2.508 50 0 EFAARO C[NH+]1CCC(n2nc(-c3cccnc3)nc2Cc2cccnc2)CC1 ZINC000095388143 218318760 /nfs/dbraw/zinc/31/87/60/218318760.db2.gz YGWNHAXDWGXVIL-UHFFFAOYSA-N 1 0 334.427 2.593 50 0 EFAARO CC[NH+]1CCC(CC(=O)NCCc2nc3c(s2)CCCC3)CC1 ZINC000095386902 218319350 /nfs/dbraw/zinc/31/93/50/218319350.db2.gz ZLLNQUTUUMHBGJ-UHFFFAOYSA-N 1 0 335.517 2.803 50 0 EFAARO COCCCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000095387602 218319389 /nfs/dbraw/zinc/31/93/89/218319389.db2.gz UAQKQPDYPDUCQB-IBGZPJMESA-N 1 0 348.487 2.935 50 0 EFAARO COc1cccc2c1OC[C@@H](Cc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC000095387173 218319830 /nfs/dbraw/zinc/31/98/30/218319830.db2.gz WBRFFWMZUXXEQZ-KRWDZBQOSA-N 1 0 338.451 2.899 50 0 EFAARO Cc1cc2nc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)cn2c(C)c1 ZINC000095388646 218320190 /nfs/dbraw/zinc/32/01/90/218320190.db2.gz AYAKHUGHLJULLE-KRWDZBQOSA-N 1 0 328.460 2.832 50 0 EFAARO C[C@H](NC(=O)CCC[NH+]1CCCCC1)c1nncn1C1CCCC1 ZINC000095388360 218320789 /nfs/dbraw/zinc/32/07/89/218320789.db2.gz KIAUANXDVPBUMV-HNNXBMFYSA-N 1 0 333.480 2.837 50 0 EFAARO COc1ccc([C@@H]2CN(C(=O)CC3CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095390826 218322371 /nfs/dbraw/zinc/32/23/71/218322371.db2.gz IQFFNTMCIYWPBX-CEWLAPEOSA-N 1 0 340.467 2.884 50 0 EFAARO Cc1nc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)sc1C ZINC000095383634 218315386 /nfs/dbraw/zinc/31/53/86/218315386.db2.gz KYFBTEUDTYVLKK-OAHLLOKOSA-N 1 0 347.484 2.924 50 0 EFAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCCc2csc(CSC)n2)C1 ZINC000095385307 218316404 /nfs/dbraw/zinc/31/64/04/218316404.db2.gz QOMGPTXYIDMNIY-INIZCTEOSA-N 1 0 341.546 2.787 50 0 EFAARO COc1ccc(-c2cn([C@@H]3CC[N@H+](Cc4ccccc4)C3)nn2)cn1 ZINC000095384814 218317230 /nfs/dbraw/zinc/31/72/30/218317230.db2.gz HFUPIWGOXNOERY-QGZVFWFLSA-N 1 0 335.411 2.796 50 0 EFAARO CN(C)[C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000095385360 218317486 /nfs/dbraw/zinc/31/74/86/218317486.db2.gz GHFOUWFZPLJAEN-SFHVURJKSA-N 1 0 333.451 2.515 50 0 EFAARO O=C(NCCCc1ccncc1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095385995 218318005 /nfs/dbraw/zinc/31/80/05/218318005.db2.gz AYEYZUUGIJGTFP-KRWDZBQOSA-N 1 0 327.428 2.636 50 0 EFAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4cccs4)nc3c12 ZINC000006661603 210672728 /nfs/dbraw/zinc/67/27/28/210672728.db2.gz KFJGSFQLGPPKMT-UHFFFAOYSA-N 1 0 340.456 2.986 50 0 EFAARO O=C(CCn1cnc2ccccc21)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268654540 252106680 /nfs/dbraw/zinc/10/66/80/252106680.db2.gz VRZXDQIMEHBTLJ-SFHVURJKSA-N 1 0 348.450 2.817 50 0 EFAARO CC[NH+](CC)CCNc1nc2sc3c(c2c2ncnn21)CCC3 ZINC000005573225 210492381 /nfs/dbraw/zinc/49/23/81/210492381.db2.gz ANWULLVCCUVXDR-UHFFFAOYSA-N 1 0 330.461 2.581 50 0 EFAARO C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000005073476 210385390 /nfs/dbraw/zinc/38/53/90/210385390.db2.gz FCYDSJVNZCQEOT-CGTJXYLNSA-N 1 0 343.423 2.555 50 0 EFAARO O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)N1CC[NH2+]CC1 ZINC000005059349 210378819 /nfs/dbraw/zinc/37/88/19/210378819.db2.gz LQFHSRORASPQJN-INIZCTEOSA-N 1 0 344.842 2.999 50 0 EFAARO C[C@H](C[NH+]1CCC(C(=O)NC[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000005045737 210372546 /nfs/dbraw/zinc/37/25/46/210372546.db2.gz PJYQXZWPDTULML-APWZRJJASA-N 1 0 330.472 2.797 50 0 EFAARO CNc1cc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)ccn1 ZINC000097334163 219012632 /nfs/dbraw/zinc/01/26/32/219012632.db2.gz NPHRRMVVPWLZJU-QGZVFWFLSA-N 1 0 338.455 2.651 50 0 EFAARO CCn1cc(NC(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)cn1 ZINC000097436945 219024636 /nfs/dbraw/zinc/02/46/36/219024636.db2.gz CCBRFNSRMMDPGZ-MRXNPFEDSA-N 1 0 341.459 2.822 50 0 EFAARO NC(=O)COc1ccc(Br)cc1C[NH2+]Cc1ccccc1 ZINC000004839733 210295134 /nfs/dbraw/zinc/29/51/34/210295134.db2.gz AVPZLTLIEHWXHE-UHFFFAOYSA-N 1 0 349.228 2.603 50 0 EFAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+]C1CCCCCC1 ZINC000004839731 210295173 /nfs/dbraw/zinc/29/51/73/210295173.db2.gz LZVZXIOBKNRPDY-KRWDZBQOSA-N 1 0 335.444 2.950 50 0 EFAARO CC(C)c1nc(CN2CCCC[C@H]2CC[NH+]2CCN(C)CC2)co1 ZINC000097468616 219027640 /nfs/dbraw/zinc/02/76/40/219027640.db2.gz YXZFMLBOFKGSCI-SFHVURJKSA-N 1 0 334.508 2.790 50 0 EFAARO Cc1c2cccc(F)c2[nH]c1C(=O)NCCC[N@@H+]1CCCC[C@@H]1CO ZINC000097527897 219033151 /nfs/dbraw/zinc/03/31/51/219033151.db2.gz GSRPXAOWMVYMSK-CQSZACIVSA-N 1 0 347.434 2.582 50 0 EFAARO COc1ccc(CN(C)Cc2cnccn2)cc1C[NH+]1CCCC1 ZINC000097527885 219033433 /nfs/dbraw/zinc/03/34/33/219033433.db2.gz ZBPVYJJVCIHVTA-UHFFFAOYSA-N 1 0 326.444 2.713 50 0 EFAARO COc1ccc2[nH]c(CN3C[C@H](O)[C@@H]([NH+]4CCCCC4)C3)c(C)c2c1 ZINC000097551362 219034192 /nfs/dbraw/zinc/03/41/92/219034192.db2.gz QBUFMBPXCNZIBH-PMACEKPBSA-N 1 0 343.471 2.516 50 0 EFAARO O=C(Nc1ccc2c(c1)OCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000004750595 210271097 /nfs/dbraw/zinc/27/10/97/210271097.db2.gz YASWWLGKMVEHGA-UHFFFAOYSA-N 1 0 331.416 2.898 50 0 EFAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NC2(c3cccc(Cl)c3)CC2)C1 ZINC000097594919 219036979 /nfs/dbraw/zinc/03/69/79/219036979.db2.gz ZTWCGCWRAPXHJM-MRXNPFEDSA-N 1 0 336.863 2.945 50 0 EFAARO O=c1c2cccnc2ncn1CC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032576433 285213961 /nfs/dbraw/zinc/21/39/61/285213961.db2.gz FVMUMCKXOAKLAR-MRXNPFEDSA-N 1 0 326.444 2.979 50 0 EFAARO O[C@@H]1Cc2ccccc2C12CC[NH+](C1CSCCSC1)CC2 ZINC000072159201 285335034 /nfs/dbraw/zinc/33/50/34/285335034.db2.gz PKGUCHNQSKEKPR-QGZVFWFLSA-N 1 0 335.538 2.786 50 0 EFAARO CC(C)Cc1cc(CSc2nnc([C@H]3CCC[NH2+]C3)n2C)no1 ZINC000426684534 257958825 /nfs/dbraw/zinc/95/88/25/257958825.db2.gz RENXNKWMTYTGKW-LBPRGKRZSA-N 1 0 335.477 2.761 50 0 EFAARO O=C(CSC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)NCCc1ccccn1 ZINC000334161091 258015949 /nfs/dbraw/zinc/01/59/49/258015949.db2.gz SUUHDEJURSMEOQ-AEFFLSMTSA-N 1 0 347.528 2.738 50 0 EFAARO O=C(CSC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)NCCc1ccccn1 ZINC000334161094 258016168 /nfs/dbraw/zinc/01/61/68/258016168.db2.gz SUUHDEJURSMEOQ-WMZOPIPTSA-N 1 0 347.528 2.738 50 0 EFAARO CC(C)CCc1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]n1 ZINC000334160882 258016810 /nfs/dbraw/zinc/01/68/10/258016810.db2.gz ODADKPKOSPDBQD-CRAIPNDOSA-N 1 0 332.492 2.993 50 0 EFAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccnn1CC1CC1)c1cccs1 ZINC000299773558 258085409 /nfs/dbraw/zinc/08/54/09/258085409.db2.gz DESUOGGVGUNBHN-ZDUSSCGKSA-N 1 0 333.461 2.779 50 0 EFAARO Cc1n[nH]c(C)c1CNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299775220 258085850 /nfs/dbraw/zinc/08/58/50/258085850.db2.gz AQXHHNCUYGVJHD-UHOSZYNNSA-N 1 0 338.455 2.868 50 0 EFAARO O=C([C@@H](O)c1ccccc1F)N1CCC([NH+]2CCCCCC2)CC1 ZINC000299786255 258093114 /nfs/dbraw/zinc/09/31/14/258093114.db2.gz PUCWRGFXLVEAJJ-SFHVURJKSA-N 1 0 334.435 2.726 50 0 EFAARO CCCn1nccc1C(=O)NCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000299787893 258094314 /nfs/dbraw/zinc/09/43/14/258094314.db2.gz YOHQMTAVJDPEOV-KRWDZBQOSA-N 1 0 340.471 2.821 50 0 EFAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1cc(-c2ccc(F)cc2)no1 ZINC000299788517 258094907 /nfs/dbraw/zinc/09/49/07/258094907.db2.gz QFZXDQOBZWYNNO-DOMZBBRYSA-N 1 0 329.375 2.581 50 0 EFAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CN1Cc1ccccc1 ZINC000299788639 258095111 /nfs/dbraw/zinc/09/51/11/258095111.db2.gz VXILPXZZVSAFFJ-MOPGFXCFSA-N 1 0 329.488 2.688 50 0 EFAARO O=C(c1ccc2c(c1)CCCO2)N1CCC([NH+]2CCSCC2)CC1 ZINC000299790544 258096456 /nfs/dbraw/zinc/09/64/56/258096456.db2.gz BLBIELXVWZIVQR-UHFFFAOYSA-N 1 0 346.496 2.665 50 0 EFAARO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)n1C(F)F ZINC000299794579 258099189 /nfs/dbraw/zinc/09/91/89/258099189.db2.gz KWPNYAKVRDOHHR-UHFFFAOYSA-N 1 0 348.397 2.981 50 0 EFAARO CO[C@]12CC[N@H+](Cc3coc(-c4ccccc4)n3)[C@H]1C[C@H](O)CC2 ZINC000299795804 258100191 /nfs/dbraw/zinc/10/01/91/258100191.db2.gz NFLSOOXKFGRQMQ-ZIFCJYIRSA-N 1 0 328.412 2.846 50 0 EFAARO [NH3+][C@@H]1CCCN(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)C1 ZINC000299795989 258100520 /nfs/dbraw/zinc/10/05/20/258100520.db2.gz MLHSQKSKKYJICP-CQSZACIVSA-N 1 0 333.823 2.540 50 0 EFAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CSc1ccc(Cl)cc1 ZINC000299797959 258101564 /nfs/dbraw/zinc/10/15/64/258101564.db2.gz POFXWBKIIFLOOK-GJZGRUSLSA-N 1 0 342.892 2.656 50 0 EFAARO O=C1C[C@@H](C[NH+]2CCC(c3ccncn3)CC2)CN1c1ccccc1 ZINC000299800577 258103665 /nfs/dbraw/zinc/10/36/65/258103665.db2.gz WZCXDIAZPGKTIO-INIZCTEOSA-N 1 0 336.439 2.709 50 0 EFAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc2c1CCC2 ZINC000299800664 258104422 /nfs/dbraw/zinc/10/44/22/258104422.db2.gz UTZWYQQBAPODDK-MRXNPFEDSA-N 1 0 331.460 2.750 50 0 EFAARO O=C(NCCc1ccc(O)cc1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055060744 258061328 /nfs/dbraw/zinc/06/13/28/258061328.db2.gz BERQFLRYGJENAV-INIZCTEOSA-N 1 0 328.412 2.556 50 0 EFAARO C[N@@H+](Cc1ccccc1OCCn1ccnc1)C[C@@H]1CCCCO1 ZINC000215963514 258072258 /nfs/dbraw/zinc/07/22/58/258072258.db2.gz VLUNLCHZMAABDM-SFHVURJKSA-N 1 0 329.444 2.963 50 0 EFAARO COCC[N@@H+]1CCC[C@@H](CN(C)C(=O)Nc2ccc(C)c(OC)c2)C1 ZINC000299758521 258075870 /nfs/dbraw/zinc/07/58/70/258075870.db2.gz MGBSWZDCNIQFPZ-INIZCTEOSA-N 1 0 349.475 2.826 50 0 EFAARO CCc1csc(CCNC(=O)c2ccc(C[NH+]3CCCC3)o2)n1 ZINC000299759045 258076876 /nfs/dbraw/zinc/07/68/76/258076876.db2.gz GVWKIQOJZKHAQF-UHFFFAOYSA-N 1 0 333.457 2.867 50 0 EFAARO CC(=O)Nc1cc(NC(=O)N2CCC3(C2)CC[NH+](C)CC3)ccc1F ZINC000299758941 258076964 /nfs/dbraw/zinc/07/69/64/258076964.db2.gz LWGQAERKEGXDRK-UHFFFAOYSA-N 1 0 348.422 2.734 50 0 EFAARO CCc1noc(-c2ccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000299760509 258077372 /nfs/dbraw/zinc/07/73/72/258077372.db2.gz UZGHGSSJTFDLHF-OAHLLOKOSA-N 1 0 341.415 2.611 50 0 EFAARO O=C1CC[C@H](CC[NH2+]Cc2ccccn2)N1Cc1ccc(F)cc1 ZINC000299764733 258080083 /nfs/dbraw/zinc/08/00/83/258080083.db2.gz KGMQTSRFEHEWNB-GOSISDBHSA-N 1 0 327.403 2.892 50 0 EFAARO CCc1nccn1CC(=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000299766896 258081511 /nfs/dbraw/zinc/08/15/11/258081511.db2.gz UOFQCZLURLEPOU-QGZVFWFLSA-N 1 0 344.434 2.538 50 0 EFAARO O=C(Nc1ccccc1CCc1ccccn1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000299767876 258082278 /nfs/dbraw/zinc/08/22/78/258082278.db2.gz XDRPHEXAWNQOGU-QFBILLFUSA-N 1 0 336.439 2.692 50 0 EFAARO COc1ccccc1N1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000055542863 132195279 /nfs/dbraw/zinc/19/52/79/132195279.db2.gz OAMGLMPZLRBHBP-UHFFFAOYSA-N 1 0 339.439 2.976 50 0 EFAARO C[C@@H]1CCC[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000035093008 132389721 /nfs/dbraw/zinc/38/97/21/132389721.db2.gz WERHEAMZFYEFSA-ATZDWAIDSA-N 1 0 336.451 2.514 50 0 EFAARO COc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)cc1 ZINC000367944160 149992660 /nfs/dbraw/zinc/99/26/60/149992660.db2.gz XDHXNVYQRFNBEI-ROUUACIJSA-N 1 0 328.387 2.710 50 0 EFAARO CSCCC[NH+]1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 ZINC000091896235 286666437 /nfs/dbraw/zinc/66/64/37/286666437.db2.gz CSVDLMBCEJVYDF-MRXNPFEDSA-N 1 0 340.533 2.623 50 0 EFAARO C[NH2+]CC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067688334 273958130 /nfs/dbraw/zinc/95/81/30/273958130.db2.gz QBMWDWCHPRRHDB-UHFFFAOYSA-N 1 0 346.814 2.653 50 0 EFAARO C[C@](CO)([NH2+]CC1=CCCOC1)c1ccc(Br)cc1 ZINC000285553120 274024010 /nfs/dbraw/zinc/02/40/10/274024010.db2.gz QWVPPERAUVOCCW-OAHLLOKOSA-N 1 0 326.234 2.593 50 0 EFAARO COc1ccc2c(C)nc(N3CCC[C@]4(CC[N@H+](C)C4)C3)nc2c1 ZINC000067881367 274120969 /nfs/dbraw/zinc/12/09/69/274120969.db2.gz CTINJVOPJXJELZ-LJQANCHMSA-N 1 0 326.444 2.869 50 0 EFAARO COc1nc2ccccc2cc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000072431519 274168649 /nfs/dbraw/zinc/16/86/49/274168649.db2.gz VDSMEZCBRBHWBZ-HXUWFJFHSA-N 1 0 339.439 2.688 50 0 EFAARO CS(=O)(=O)N[C@@H]1c2cccc3cccc(c23)[C@@H]1[NH+]1CCCCC1 ZINC000004958061 274173357 /nfs/dbraw/zinc/17/33/57/274173357.db2.gz JQILUMBUNLQQNH-MSOLQXFVSA-N 1 0 330.453 2.971 50 0 EFAARO [NH3+]CCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000004056425 274945949 /nfs/dbraw/zinc/94/59/49/274945949.db2.gz ZPYAIIWAWHNWSB-UHFFFAOYSA-N 1 0 343.452 2.568 50 0 EFAARO O=C1CCCN1C1CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095513333 275017038 /nfs/dbraw/zinc/01/70/38/275017038.db2.gz JLPYMLYQKVSSHF-MRXNPFEDSA-N 1 0 328.456 2.715 50 0 EFAARO O=C1Nc2ccccc2NC12CC[NH+](Cc1cccc3nonc31)CC2 ZINC000082121605 275026111 /nfs/dbraw/zinc/02/61/11/275026111.db2.gz NJBBZTVFXXCXMW-UHFFFAOYSA-N 1 0 349.394 2.622 50 0 EFAARO CC(=O)Nn1c(C)cc(C[NH+]2CCC(c3ccncc3)CC2)c1C ZINC000071751684 275498163 /nfs/dbraw/zinc/49/81/63/275498163.db2.gz HWONQSXCNTXDJG-UHFFFAOYSA-N 1 0 326.444 2.970 50 0 EFAARO CC(C)c1cc(CN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)on1 ZINC000082146230 276046771 /nfs/dbraw/zinc/04/67/71/276046771.db2.gz PSGVTEUEIPYESK-UHFFFAOYSA-N 1 0 340.427 2.879 50 0 EFAARO CC[NH+]1CCC(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000095367402 276148791 /nfs/dbraw/zinc/14/87/91/276148791.db2.gz PPRORGUTVKVDBB-INIZCTEOSA-N 1 0 331.504 2.922 50 0 EFAARO CCc1ncc(C[NH+]2CCC3(CC(=O)N(CC(C)C)C3)CC2)cn1 ZINC000091504806 276696297 /nfs/dbraw/zinc/69/62/97/276696297.db2.gz WAXMVFQBGYWNDC-UHFFFAOYSA-N 1 0 330.476 2.510 50 0 EFAARO COC(=O)c1ccc([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000020494165 277161597 /nfs/dbraw/zinc/16/15/97/277161597.db2.gz OJFGADPGBIZSJH-GOSISDBHSA-N 1 0 327.380 2.726 50 0 biogenic EFAARO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000005911973 279487847 /nfs/dbraw/zinc/48/78/47/279487847.db2.gz HEBNAYZDCNQROW-NJSLBKSFSA-N 1 0 327.380 2.645 50 0 biogenic EFAARO CCOC(=O)C1=C(C[NH+](CC)CC)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000000033404 279531240 /nfs/dbraw/zinc/53/12/40/279531240.db2.gz VHZUCRBTUKEUKY-QGZVFWFLSA-N 1 0 345.443 2.542 50 0 EFAARO Cc1ccsc1[C@@H](CNc1nc(C)nc2c1cnn2C)[NH+](C)C ZINC000072163520 302305345 /nfs/dbraw/zinc/30/53/45/302305345.db2.gz HOUDDKCIMNDYIO-CYBMUJFWSA-N 1 0 330.461 2.756 50 0 EFAARO O[C@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1ccccc1Cl ZINC000005685430 323210321 /nfs/dbraw/zinc/21/03/21/323210321.db2.gz UZEMNULQSDGRJD-KGLIPLIRSA-N 1 0 349.814 2.509 50 0 EFAARO CC(C)c1cc(C(=O)N2CCC[N@H+](C)CC2)n(-c2ccccc2)n1 ZINC000095478555 473212713 /nfs/dbraw/zinc/21/27/13/473212713.db2.gz UUZFPISTISNEQN-UHFFFAOYSA-N 1 0 326.444 2.773 50 0 EFAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCc2noc(-c3ccccc3)n2)C1 ZINC000095497610 473213703 /nfs/dbraw/zinc/21/37/03/473213703.db2.gz CZNQIMLPUWREEY-MRXNPFEDSA-N 1 0 342.443 2.516 50 0 EFAARO Cc1cc(CN2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)ccc1F ZINC000095501348 473214239 /nfs/dbraw/zinc/21/42/39/473214239.db2.gz CTTRXWWDOUUWLN-IBGZPJMESA-N 1 0 328.431 2.813 50 0 EFAARO O[C@@H]1CN(Cc2ccccc2)CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000095502545 473214787 /nfs/dbraw/zinc/21/47/87/473214787.db2.gz XKVGKWLQTQTKBW-HXUWFJFHSA-N 1 0 335.451 2.847 50 0 EFAARO CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1c1ccc(C)o1 ZINC000095506542 473215552 /nfs/dbraw/zinc/21/55/52/473215552.db2.gz KWGBWPYEDOVRJS-QZTJIDSGSA-N 1 0 346.402 2.710 50 0 EFAARO CC[C@H](NC(=O)CC1CC[NH+](C(C)C)CC1)c1cn2cccnc2n1 ZINC000095517510 473217571 /nfs/dbraw/zinc/21/75/71/473217571.db2.gz OICRHEKXCLLBPD-INIZCTEOSA-N 1 0 343.475 2.807 50 0 EFAARO c1csc(N2CC[NH+](C[C@H]3CCOc4ccccc4C3)CC2)n1 ZINC000095512328 473218080 /nfs/dbraw/zinc/21/80/80/473218080.db2.gz PHMJEQGQLMKWML-HNNXBMFYSA-N 1 0 329.469 2.907 50 0 EFAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1c(C)c(C)nc2ccc(C)cc21 ZINC000095519033 473218773 /nfs/dbraw/zinc/21/87/73/473218773.db2.gz KJYIWTCELHKJIS-ROUUACIJSA-N 1 0 341.455 2.609 50 0 EFAARO CCCc1nnc(N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)s1 ZINC000095525497 473219846 /nfs/dbraw/zinc/21/98/46/473219846.db2.gz ZQCICGALSLTJFB-CQSZACIVSA-N 1 0 348.520 2.633 50 0 EFAARO Cc1nc2cc(CNC(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)ccc2n1C ZINC000095523950 473220001 /nfs/dbraw/zinc/22/00/01/473220001.db2.gz OGWIHIISOWGMIB-MRXNPFEDSA-N 1 0 328.460 2.618 50 0 EFAARO c1cnc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)nc1 ZINC000095529483 473220881 /nfs/dbraw/zinc/22/08/81/473220881.db2.gz IWMBYOBJUNHIAO-QFBILLFUSA-N 1 0 334.467 2.540 50 0 EFAARO CC(C)[NH2+]CCNC(=O)C1Oc2ccccc2-c2ccccc2O1 ZINC000096028050 473257449 /nfs/dbraw/zinc/25/74/49/473257449.db2.gz MNOLBCWDZJKRDY-UHFFFAOYSA-N 1 0 326.396 2.565 50 0 EFAARO COc1ccc([C@@](OC)(OCC[NH+]2CCCCC2)C(C)(C)O)cc1 ZINC000096027270 473257545 /nfs/dbraw/zinc/25/75/45/473257545.db2.gz UNUVDLHYSKGQCJ-LJQANCHMSA-N 1 0 337.460 2.768 50 0 EFAARO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(CSc2ccccn2)cc1 ZINC000082086888 473286554 /nfs/dbraw/zinc/28/65/54/473286554.db2.gz CXZZNTCOYLDXMY-HOTGVXAUSA-N 1 0 345.443 2.804 50 0 EFAARO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1C ZINC000082107805 473289869 /nfs/dbraw/zinc/28/98/69/473289869.db2.gz OEMPKFPRRRPTSE-NRFANRHFSA-N 1 0 344.499 2.890 50 0 EFAARO CSCc1ccc(N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)nc1 ZINC000082098918 473288885 /nfs/dbraw/zinc/28/88/85/473288885.db2.gz LBFZQJJKQLVKFH-MRXNPFEDSA-N 1 0 348.560 2.797 50 0 EFAARO CNc1cc(C)[nH+]c(N2CCC[C@@H](c3nccn3CC3CC3)C2)n1 ZINC000082121449 473291802 /nfs/dbraw/zinc/29/18/02/473291802.db2.gz YETRWVUARBTYFR-OAHLLOKOSA-N 1 0 326.448 2.817 50 0 EFAARO Cc1ccc2c(=O)cc(C(=O)N3CCCC[C@H]([NH+](C)C)C3)oc2c1 ZINC000082116326 473292478 /nfs/dbraw/zinc/29/24/78/473292478.db2.gz HBHMECWXJRXFKT-AWEZNQCLSA-N 1 0 328.412 2.658 50 0 EFAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1ccccc1Oc1ccccc1 ZINC000082120223 473293136 /nfs/dbraw/zinc/29/31/36/473293136.db2.gz RXEROLZSUJGXQX-UHFFFAOYSA-N 1 0 348.406 2.709 50 0 EFAARO O=C1C[C@@]2(CC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)C(=O)N1 ZINC000082135011 473293767 /nfs/dbraw/zinc/29/37/67/473293767.db2.gz BQHIRDATTHDMNX-GOSISDBHSA-N 1 0 326.421 2.654 50 0 EFAARO CCCc1ccc(-c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@H](O)C3)cc2)cc1 ZINC000082134313 473293784 /nfs/dbraw/zinc/29/37/84/473293784.db2.gz PNPFIRHUACZTLR-WOJBJXKFSA-N 1 0 338.451 2.840 50 0 EFAARO O=C(NCc1cc2n(n1)CCC[N@H+](C[C@@H]1CC=CCC1)C2)C1CCC1 ZINC000082136706 473294296 /nfs/dbraw/zinc/29/42/96/473294296.db2.gz VXHCSNIHEAZTBR-MRXNPFEDSA-N 1 0 342.487 2.861 50 0 EFAARO Clc1cccc(-c2ccnc(NCc3cc4n(n3)CC[NH2+]C4)n2)c1 ZINC000082166399 473297982 /nfs/dbraw/zinc/29/79/82/473297982.db2.gz WUBDMLWWJUNMJA-UHFFFAOYSA-N 1 0 340.818 2.709 50 0 EFAARO CNc1cc(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)ccn1 ZINC000096130790 473310295 /nfs/dbraw/zinc/31/02/95/473310295.db2.gz JWMDWEDXVFQUEZ-SFHVURJKSA-N 1 0 338.455 2.733 50 0 EFAARO Cc1cc2cc(NC(=O)NCC[N@@H+]3CCC[C@H](CO)C3)ccc2o1 ZINC000096132044 473310359 /nfs/dbraw/zinc/31/03/59/473310359.db2.gz FHPIXTOQCHQMTB-AWEZNQCLSA-N 1 0 331.416 2.567 50 0 EFAARO COCCCN(Cc1ccc(C)cc1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000096147822 473314555 /nfs/dbraw/zinc/31/45/55/473314555.db2.gz YMIBEMRHGWJKSB-GOSISDBHSA-N 1 0 330.472 2.750 50 0 EFAARO CCOCCc1nc(CC2CC[NH+](C)CC2)nn1-c1ccc(F)cc1 ZINC000096149330 473315273 /nfs/dbraw/zinc/31/52/73/473315273.db2.gz DFTADNDXBDDDCS-UHFFFAOYSA-N 1 0 346.450 2.870 50 0 EFAARO CCCc1cc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3)C2)[nH]n1 ZINC000096160279 473319446 /nfs/dbraw/zinc/31/94/46/473319446.db2.gz USTYCWDXCYZIQJ-MRXNPFEDSA-N 1 0 326.444 2.582 50 0 EFAARO COc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000096163772 473321180 /nfs/dbraw/zinc/32/11/80/473321180.db2.gz HQLRWQYTQANKLV-KRWDZBQOSA-N 1 0 340.427 2.876 50 0 EFAARO Cc1cc(N2CCN(C(=O)Nc3ccc(F)nc3)CC2)cc(C)[nH+]1 ZINC000096163400 473321680 /nfs/dbraw/zinc/32/16/80/473321680.db2.gz FUMNXQKDWIGFMC-UHFFFAOYSA-N 1 0 329.379 2.587 50 0 EFAARO CCc1nc2cc(NC(=O)N[C@H]3C[NH+]4CCC3CC4)ccc2n1CC ZINC000096180399 473323333 /nfs/dbraw/zinc/32/33/33/473323333.db2.gz AILYKDPKNIQHRV-INIZCTEOSA-N 1 0 341.459 2.834 50 0 EFAARO COc1cc2c(cc1OC)C[N@H+](CCC(=O)N1CCCCCC1)CC2 ZINC000096232416 473361009 /nfs/dbraw/zinc/36/10/09/473361009.db2.gz AVFVNJNTGLWRGC-UHFFFAOYSA-N 1 0 346.471 2.855 50 0 EFAARO C[NH+](C)CCn1c(=O)sc2c1SC[C@H]1COc3ccccc3[C@H]21 ZINC000096318994 473375706 /nfs/dbraw/zinc/37/57/06/473375706.db2.gz IXGJTGSPFBCMPT-BXUZGUMPSA-N 1 0 348.493 2.718 50 0 EFAARO C[C@@H]([C@@H](O)c1ccc(O)cc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000000005936 471317833 /nfs/dbraw/zinc/31/78/33/471317833.db2.gz QEMSVZNTSXPFJA-HNAYVOBHSA-N 1 0 327.424 2.798 50 0 investigational EFAARO COc1ccc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC ZINC000000053693 471318635 /nfs/dbraw/zinc/31/86/35/471318635.db2.gz GFMUOHMXSGNQTF-IBGZPJMESA-N 1 0 329.396 2.956 50 0 biogenic EFAARO CC1(C)CC(NC(=O)c2cc3ccccc3oc2=O)CC(C)(C)[NH2+]1 ZINC000000067265 471319944 /nfs/dbraw/zinc/31/99/44/471319944.db2.gz CRANXGYXQFDEFG-UHFFFAOYSA-N 1 0 328.412 2.832 50 0 EFAARO COc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000000103608 471322839 /nfs/dbraw/zinc/32/28/39/471322839.db2.gz SNYIUXQRMJPSDW-UHFFFAOYSA-N 1 0 339.439 2.846 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(F)cc3)C2=O)cc1 ZINC000000181337 471331458 /nfs/dbraw/zinc/33/14/58/471331458.db2.gz XNJMIMLVSQLHFB-KRWDZBQOSA-N 1 0 342.370 2.646 50 0 EFAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000000207307 471334160 /nfs/dbraw/zinc/33/41/60/471334160.db2.gz ABYZJNSBCBPJEZ-INIZCTEOSA-N 1 0 334.460 2.784 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c(OC)c1 ZINC000000212283 471336119 /nfs/dbraw/zinc/33/61/19/471336119.db2.gz FFOXUMWZCBRROC-QGZVFWFLSA-N 1 0 346.471 2.928 50 0 EFAARO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000000299610 471344694 /nfs/dbraw/zinc/34/46/94/471344694.db2.gz UVJWSBVONVHXTR-UHFFFAOYSA-N 1 0 334.460 2.784 50 0 EFAARO COc1ccc(C[NH+]2CCC(C(=O)NC(C)(C)C)CC2)c(OC)c1 ZINC000000299587 471344884 /nfs/dbraw/zinc/34/48/84/471344884.db2.gz WBADJFDEMIMVCB-UHFFFAOYSA-N 1 0 334.460 2.831 50 0 EFAARO O=C(c1ccncc1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000000317072 471346910 /nfs/dbraw/zinc/34/69/10/471346910.db2.gz WHKHFTCTKHFRLC-UHFFFAOYSA-N 1 0 325.456 2.664 50 0 EFAARO c1ccc(Nc2nc(Nc3ccccc3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000000336023 471348008 /nfs/dbraw/zinc/34/80/08/471348008.db2.gz KTHPCIRABJFDML-UHFFFAOYSA-N 1 0 347.426 2.768 50 0 EFAARO C[NH+]1CCN(c2nc3ccccc3c(NCc3ccccc3)n2)CC1 ZINC000000356482 471350386 /nfs/dbraw/zinc/35/03/86/471350386.db2.gz HXNBYFYLVCCHIP-UHFFFAOYSA-N 1 0 333.439 2.994 50 0 EFAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000000360654 471350680 /nfs/dbraw/zinc/35/06/80/471350680.db2.gz FRGFCZYAPCUCGG-UHFFFAOYSA-N 1 0 327.428 2.665 50 0 EFAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2cccc3ccccc32)n1 ZINC000000379438 471352541 /nfs/dbraw/zinc/35/25/41/471352541.db2.gz IQEMLHBHEVNPOT-UHFFFAOYSA-N 1 0 325.397 2.525 50 0 EFAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1 ZINC000000533536 471369488 /nfs/dbraw/zinc/36/94/88/471369488.db2.gz DVFYFWBOFXDIOO-UHFFFAOYSA-N 1 0 330.819 2.739 50 0 EFAARO COc1ccc(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)cc1OC ZINC000000819318 471377248 /nfs/dbraw/zinc/37/72/48/471377248.db2.gz ZDBRHKBNTWYIJN-UHFFFAOYSA-N 1 0 346.471 2.975 50 0 EFAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001422947 471391130 /nfs/dbraw/zinc/39/11/30/471391130.db2.gz RSVFMAAYEFCSJG-UHFFFAOYSA-N 1 0 337.272 2.708 50 0 EFAARO CC1(C)CC(NC(=O)C(=O)Nc2ccccc2Cl)CC(C)(C)[NH2+]1 ZINC000001754974 471397598 /nfs/dbraw/zinc/39/75/98/471397598.db2.gz ICFHQFNLMUWSSE-UHFFFAOYSA-N 1 0 337.851 2.704 50 0 EFAARO CC[NH+](CC)CCOC(=O)c1c(C)nc2n(C)c3ccccc3n21 ZINC000001845789 471398777 /nfs/dbraw/zinc/39/87/77/471398777.db2.gz WYCBZOVKQIXMHU-UHFFFAOYSA-N 1 0 328.416 2.633 50 0 EFAARO COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000001889152 471398992 /nfs/dbraw/zinc/39/89/92/471398992.db2.gz IMBQTQFQILWSGI-AWEZNQCLSA-N 1 0 345.395 2.642 50 0 EFAARO COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000001889154 471399615 /nfs/dbraw/zinc/39/96/15/471399615.db2.gz IMBQTQFQILWSGI-CQSZACIVSA-N 1 0 345.395 2.642 50 0 EFAARO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000002449378 471408827 /nfs/dbraw/zinc/40/88/27/471408827.db2.gz QPAMRWHFSHPTEB-GFCCVEGCSA-N 1 0 343.427 2.933 50 0 EFAARO O[C@@H](CCC[NH+]1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000002526779 471409232 /nfs/dbraw/zinc/40/92/32/471409232.db2.gz LVXYAFNPMXCRJI-SFHVURJKSA-N 1 0 329.419 2.857 50 0 EFAARO CCCCc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000002857448 471425726 /nfs/dbraw/zinc/42/57/26/471425726.db2.gz YWIIJOBLJKINIP-KRWDZBQOSA-N 1 0 331.460 2.568 50 0 EFAARO O=C(NC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000003226059 471436098 /nfs/dbraw/zinc/43/60/98/471436098.db2.gz HTABTIBITREGEC-UHFFFAOYSA-N 1 0 343.452 2.549 50 0 EFAARO Cc1cccc(OCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000004385388 471463939 /nfs/dbraw/zinc/46/39/39/471463939.db2.gz LCZXUQMWBHAHOF-UHFFFAOYSA-N 1 0 339.439 2.764 50 0 EFAARO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)nc1 ZINC000005245279 471493838 /nfs/dbraw/zinc/49/38/38/471493838.db2.gz AKXYCYSRTABCKH-LBPRGKRZSA-N 1 0 336.819 2.793 50 0 EFAARO Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)oc2c1[C@H](O)CC(C)(C)C2 ZINC000005270176 471495804 /nfs/dbraw/zinc/49/58/04/471495804.db2.gz QSVSVPXVBUMLQM-CQSZACIVSA-N 1 0 334.460 2.760 50 0 EFAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(C)=O)nc21 ZINC000005256888 471495981 /nfs/dbraw/zinc/49/59/81/471495981.db2.gz DQFQEBGEVXBHFY-UHFFFAOYSA-N 1 0 327.837 2.873 50 0 EFAARO CCCc1cc(NCC[NH+](C)C)n2nc3nc(C)cc(C)c3c2n1 ZINC000005350565 471501171 /nfs/dbraw/zinc/50/11/71/471501171.db2.gz QFJIVVSJIVNWRL-UHFFFAOYSA-N 1 0 326.448 2.820 50 0 EFAARO O=S(=O)(Cc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005603154 471512439 /nfs/dbraw/zinc/51/24/39/471512439.db2.gz NYTSCIKUQIBBLG-UHFFFAOYSA-N 1 0 344.480 2.771 50 0 EFAARO Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000005729462 471518567 /nfs/dbraw/zinc/51/85/67/471518567.db2.gz IYCDDBMLXPNPMW-UHFFFAOYSA-N 1 0 345.468 2.548 50 0 EFAARO COc1cc2c(cc1OC)[C@H](C)N(C(=O)C[NH+]1CCCCC1)CC2 ZINC000006472523 471547637 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471782876 /nfs/dbraw/zinc/78/28/76/471782876.db2.gz PVCBMRGXZKIZGQ-QGZVFWFLSA-N 1 0 337.508 2.707 50 0 EFAARO COCCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012588316 471784012 /nfs/dbraw/zinc/78/40/12/471784012.db2.gz KAWYMCIOWXGHGI-MRXNPFEDSA-N 1 0 336.451 2.575 50 0 EFAARO O=C(C[NH+]1CCCCC1)NCc1cccnc1N1CCCCCCC1 ZINC000012707575 471790168 /nfs/dbraw/zinc/79/01/68/471790168.db2.gz YPGRXKDJKYXVOC-UHFFFAOYSA-N 1 0 344.503 2.954 50 0 EFAARO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](CCCn2cccn2)C1 ZINC000012710832 471790583 /nfs/dbraw/zinc/79/05/83/471790583.db2.gz AXIAILJWCXPXFD-IBGZPJMESA-N 1 0 349.425 2.869 50 0 EFAARO O=C1C[C@H]([NH2+]C2CCSCC2)CN1CCc1cccc(Cl)c1 ZINC000012702305 471790796 /nfs/dbraw/zinc/79/07/96/471790796.db2.gz HMRHREDNTXBXOB-INIZCTEOSA-N 1 0 338.904 2.969 50 0 EFAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3cn(C)nc3C)C2)c1 ZINC000012711150 471791535 /nfs/dbraw/zinc/79/15/35/471791535.db2.gz DNMBIYAEHHXMOT-FQEVSTJZSA-N 1 0 343.471 2.554 50 0 EFAARO CCOCc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)ccc1OC ZINC000012750636 471792503 /nfs/dbraw/zinc/79/25/03/471792503.db2.gz BCAYMBWNORNIKW-FQEVSTJZSA-N 1 0 346.471 2.676 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2oc1=O)c1ccsc1 ZINC000013011194 471812249 /nfs/dbraw/zinc/81/22/49/471812249.db2.gz BYLLFOQNZOLRGA-OAHLLOKOSA-N 1 0 342.420 2.887 50 0 EFAARO CCC[NH+]1CCC(NC(=O)CCc2nnc(-c3ccccc3)o2)CC1 ZINC000013636892 471836575 /nfs/dbraw/zinc/83/65/75/471836575.db2.gz DTJMWDQURIYFQF-UHFFFAOYSA-N 1 0 342.443 2.660 50 0 EFAARO O=S(=O)(Cc1ccccc1F)NCCC[NH+]1CCCCCC1 ZINC000013671992 471837057 /nfs/dbraw/zinc/83/70/57/471837057.db2.gz DUDSMDBIGKLECV-UHFFFAOYSA-N 1 0 328.453 2.511 50 0 EFAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 ZINC000014732247 471877577 /nfs/dbraw/zinc/87/75/77/471877577.db2.gz BXCZAXMRASFFDS-HNNXBMFYSA-N 1 0 329.444 2.714 50 0 EFAARO CC(C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C ZINC000014744224 471878226 /nfs/dbraw/zinc/87/82/26/471878226.db2.gz GYNOLCHEMUNJIF-UHFFFAOYSA-N 1 0 329.444 2.571 50 0 EFAARO O=C1CC[C@H](CC[NH2+]Cc2cccnc2)N1CCc1ccccc1F ZINC000014884477 471880687 /nfs/dbraw/zinc/88/06/87/471880687.db2.gz XYFMMLQEHFMHNH-GOSISDBHSA-N 1 0 341.430 2.934 50 0 EFAARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CC(F)(F)F)C2)c1 ZINC000014949288 471883171 /nfs/dbraw/zinc/88/31/71/471883171.db2.gz UKDGCJADGIRHEZ-CYBMUJFWSA-N 1 0 330.350 2.728 50 0 EFAARO O=C1CC[N@H+](Cc2cccs2)CCN1CCOc1ccccc1 ZINC000014982973 471883620 /nfs/dbraw/zinc/88/36/20/471883620.db2.gz AOUHCLVCXIBRPJ-UHFFFAOYSA-N 1 0 330.453 2.861 50 0 EFAARO COc1ccc(OC)c(C[NH2+][C@@H]2COc3c(cccc3OC)C2)c1 ZINC000015063538 471887632 /nfs/dbraw/zinc/88/76/32/471887632.db2.gz UMYQFVIJKAYDSA-HNNXBMFYSA-N 1 0 329.396 2.806 50 0 EFAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000015066642 471887926 /nfs/dbraw/zinc/88/79/26/471887926.db2.gz OMUXDFIEEMOVLP-CQSZACIVSA-N 1 0 347.488 2.659 50 0 EFAARO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1cccc(F)c1 ZINC000015067184 471888035 /nfs/dbraw/zinc/88/80/35/471888035.db2.gz HMPQLKMONBFBBV-FQEVSTJZSA-N 1 0 348.462 2.849 50 0 EFAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH+]3CCCC3)C2=O)cc1 ZINC000015065997 471888043 /nfs/dbraw/zinc/88/80/43/471888043.db2.gz MWZNUQLFWPLCCO-HXUWFJFHSA-N 1 0 330.472 2.759 50 0 EFAARO COc1cc(C[NH2+][C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)ccc1F ZINC000015076262 471889320 /nfs/dbraw/zinc/88/93/20/471889320.db2.gz RBODAWDLLRPPDC-INIZCTEOSA-N 1 0 346.377 2.864 50 0 EFAARO Cc1ccccc1OCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000015831630 471919030 /nfs/dbraw/zinc/91/90/30/471919030.db2.gz DCTHFCRQDHZBCG-INIZCTEOSA-N 1 0 328.412 2.920 50 0 EFAARO CCC[NH+]1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000016605283 471944206 /nfs/dbraw/zinc/94/42/06/471944206.db2.gz XATDJJXIOZJQKW-UHFFFAOYSA-N 1 0 331.243 2.926 50 0 EFAARO Cc1cccc(C[NH+]2CCC(C(=O)NCCCn3ccnc3)CC2)c1 ZINC000016606660 471944351 /nfs/dbraw/zinc/94/43/51/471944351.db2.gz SILPAPCPDGBXEC-UHFFFAOYSA-N 1 0 340.471 2.610 50 0 EFAARO CC[C@H](Oc1ccc(OC)cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016605916 471944711 /nfs/dbraw/zinc/94/47/11/471944711.db2.gz FDFUEKVILKOYCO-SFHVURJKSA-N 1 0 334.460 2.842 50 0 EFAARO COc1ccccc1OCC[NH2+]CC(=O)N[C@@H](C)c1ccccc1C ZINC000016695499 471947957 /nfs/dbraw/zinc/94/79/57/471947957.db2.gz RHYSFNVEHAXSQU-INIZCTEOSA-N 1 0 342.439 2.849 50 0 EFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1 ZINC000018154125 471971147 /nfs/dbraw/zinc/97/11/47/471971147.db2.gz FPVNMMKGYGZMBK-MRXNPFEDSA-N 1 0 347.357 2.662 50 0 EFAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000020363019 471990004 /nfs/dbraw/zinc/99/00/04/471990004.db2.gz BRFWOXRYACLPMO-GOSISDBHSA-N 1 0 329.488 2.692 50 0 EFAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000022913077 472023686 /nfs/dbraw/zinc/02/36/86/472023686.db2.gz KSRJNUVGJPLLHN-GOSISDBHSA-N 1 0 331.504 2.938 50 0 EFAARO COc1ccc(C[NH+]2CCN(c3ncccn3)CC2)c2ccccc12 ZINC000023282253 472029005 /nfs/dbraw/zinc/02/90/05/472029005.db2.gz NCNBXOGSSQVOAE-UHFFFAOYSA-N 1 0 334.423 2.961 50 0 EFAARO C[N@@H+]1CCCC2(CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000067458312 472036907 /nfs/dbraw/zinc/03/69/07/472036907.db2.gz IXCORQICOXUTCT-UHFFFAOYSA-N 1 0 340.464 2.712 50 0 EFAARO CCc1csc(C[NH2+][C@@H](C)Cn2cnc3ccccc3c2=O)n1 ZINC000067641814 472064085 /nfs/dbraw/zinc/06/40/85/472064085.db2.gz ZMCGAWDRRXUSTB-LBPRGKRZSA-N 1 0 328.441 2.594 50 0 EFAARO CCN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000024936396 472073399 /nfs/dbraw/zinc/07/33/99/472073399.db2.gz OMRMLYXXFRJZKD-KRWDZBQOSA-N 1 0 337.467 2.793 50 0 EFAARO CCN(C[C@H]1CC[N@H+](C)C1)C(=O)c1c[nH]nc1-c1ccccc1F ZINC000067724667 472079488 /nfs/dbraw/zinc/07/94/88/472079488.db2.gz PIWFYPAVHFSUOJ-ZDUSSCGKSA-N 1 0 330.407 2.630 50 0 EFAARO CC(C)([NH3+])C(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067724453 472080017 /nfs/dbraw/zinc/08/00/17/472080017.db2.gz UVENOTBKNOTVMZ-UHFFFAOYSA-N 1 0 330.407 2.659 50 0 EFAARO O=S(=O)(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000026832949 472150754 /nfs/dbraw/zinc/15/07/54/472150754.db2.gz DJHJGOPRFVLBGB-UHFFFAOYSA-N 1 0 348.443 2.552 50 0 EFAARO Ic1ccc(COCC2CC[NH2+]CC2)cc1 ZINC000042782969 472169698 /nfs/dbraw/zinc/16/96/98/472169698.db2.gz AMPQCTMGSYLEJL-UHFFFAOYSA-N 1 0 331.197 2.807 50 0 EFAARO C[NH+](C)CCNC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 ZINC000027724730 472192210 /nfs/dbraw/zinc/19/22/10/472192210.db2.gz DPJOOBSJVBQUOO-UHFFFAOYSA-N 1 0 328.199 2.539 50 0 EFAARO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000085468148 472252239 /nfs/dbraw/zinc/25/22/39/472252239.db2.gz SJJRYCZWDHPCOL-GFOMBABLSA-N 1 0 341.499 2.574 50 0 EFAARO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000030822998 472349649 /nfs/dbraw/zinc/34/96/49/472349649.db2.gz AEUZYDOXMHACNR-UHFFFAOYSA-N 1 0 334.416 2.904 50 0 EFAARO O=C([C@@H]1CCCO1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069520925 472363277 /nfs/dbraw/zinc/36/32/77/472363277.db2.gz PEQFSIVACLVVNV-FHWLQOOXSA-N 1 0 328.456 2.821 50 0 EFAARO O=C(C[C@@H]1C[NH2+]CCO1)NCCC(c1ccccc1)c1ccccc1 ZINC000097009889 472406012 /nfs/dbraw/zinc/40/60/12/472406012.db2.gz HSIHWNYIZBFJJG-LJQANCHMSA-N 1 0 338.451 2.703 50 0 EFAARO CSc1cccc(NC(=O)N2CCCN(C)C3(CC[NH2+]CC3)C2)c1 ZINC000097088128 472442511 /nfs/dbraw/zinc/44/25/11/472442511.db2.gz QDOYAMYHUUPRHL-UHFFFAOYSA-N 1 0 348.516 2.700 50 0 EFAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)CN1CC(C)C ZINC000032540546 472444257 /nfs/dbraw/zinc/44/42/57/472444257.db2.gz ZIYRXNMWJXWYTH-IRXDYDNUSA-N 1 0 337.895 2.665 50 0 EFAARO Cc1n[nH]c(CCC(=O)NC[C@H](c2ccccc2C)[NH+](C)C)c1C ZINC000097155617 472465833 /nfs/dbraw/zinc/46/58/33/472465833.db2.gz BGOREGAQHFERRR-GOSISDBHSA-N 1 0 328.460 2.687 50 0 EFAARO CCc1[nH]nc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)c1C ZINC000097155860 472465965 /nfs/dbraw/zinc/46/59/65/472465965.db2.gz DTHSNLWJSXYDEP-MRXNPFEDSA-N 1 0 340.471 2.808 50 0 EFAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1csc(-c3ccsc3)n1)CC2 ZINC000097199375 472474545 /nfs/dbraw/zinc/47/45/45/472474545.db2.gz LGWXBCZVZGYOMK-LBPRGKRZSA-N 1 0 331.470 2.876 50 0 EFAARO Cc1nnc2n1C[C@H]([NH2+]Cc1c[nH]nc1-c1cc3ccccc3o1)CC2 ZINC000097199372 472474716 /nfs/dbraw/zinc/47/47/16/472474716.db2.gz CCRMKQQKANBQNC-OAHLLOKOSA-N 1 0 348.410 2.827 50 0 EFAARO CCc1nnc2n1C[C@H]([NH2+]Cc1cc(Br)cs1)CC2 ZINC000097199354 472475310 /nfs/dbraw/zinc/47/53/10/472475310.db2.gz XJEUGHPHMZECNW-SNVBAGLBSA-N 1 0 341.278 2.769 50 0 EFAARO O=C1OC2(CN1CCc1ccccc1)CC[NH+](C[C@@H]1CCCO1)CC2 ZINC000077288132 472494107 /nfs/dbraw/zinc/49/41/07/472494107.db2.gz JEUPSOFJDKDZJH-SFHVURJKSA-N 1 0 344.455 2.695 50 0 EFAARO COCC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077300417 472496829 /nfs/dbraw/zinc/49/68/29/472496829.db2.gz BEYHXNNZPJNAJG-HXUWFJFHSA-N 1 0 330.472 2.580 50 0 EFAARO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@]2(CN(C)C(=O)O2)CC1 ZINC000097642622 472502679 /nfs/dbraw/zinc/50/26/79/472502679.db2.gz XQKSWCPOWHYHOJ-LJQANCHMSA-N 1 0 340.427 2.745 50 0 EFAARO CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CCn2cccn2)o1 ZINC000077322165 472503430 /nfs/dbraw/zinc/50/34/30/472503430.db2.gz YDMULKFKMLXQHS-HNNXBMFYSA-N 1 0 330.432 2.623 50 0 EFAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1[nH]cc(C)c(=O)c1C ZINC000077337412 472506230 /nfs/dbraw/zinc/50/62/30/472506230.db2.gz TUKRKBYBFRUHMR-QGZVFWFLSA-N 1 0 328.460 2.941 50 0 EFAARO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H]2CO ZINC000097758976 472506953 /nfs/dbraw/zinc/50/69/53/472506953.db2.gz XKJXXKAAKCOIQB-XLIONFOSSA-N 1 0 346.471 2.738 50 0 EFAARO Cn1c(CN2CCCCC2)nnc1C1CCN(c2cc[nH+]cc2)CC1 ZINC000077339516 472507719 /nfs/dbraw/zinc/50/77/19/472507719.db2.gz GIIIPVVCHKCTSO-UHFFFAOYSA-N 1 0 340.475 2.580 50 0 EFAARO c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2cnc(N3CCCC3)nc2)cn1 ZINC000077354663 472511608 /nfs/dbraw/zinc/51/16/08/472511608.db2.gz VOIQBDWFFHCCBA-SFHVURJKSA-N 1 0 340.475 2.718 50 0 EFAARO CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000077380445 472516456 /nfs/dbraw/zinc/51/64/56/472516456.db2.gz ZQTROJDAYDWWNW-MAUKXSAKSA-N 1 0 340.471 2.619 50 0 EFAARO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2=O)cn1 ZINC000077386245 472517745 /nfs/dbraw/zinc/51/77/45/472517745.db2.gz AEXUVIDQGYKWKY-QGZVFWFLSA-N 1 0 330.476 2.515 50 0 EFAARO COCCCN1C[C@]2(CCC[N@H+](Cc3cccc(O)c3)C2)CCC1=O ZINC000077392685 472519698 /nfs/dbraw/zinc/51/96/98/472519698.db2.gz FAGPWELVATUDRP-HXUWFJFHSA-N 1 0 346.471 2.633 50 0 EFAARO Cc1ccc(C(=O)N2CCCN(c3cc[nH+]cc3C)CC2)cc1O ZINC000077406786 472522169 /nfs/dbraw/zinc/52/21/69/472522169.db2.gz XHCFPCLZSUDDDK-UHFFFAOYSA-N 1 0 325.412 2.757 50 0 EFAARO Cc1cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)on1 ZINC000077457095 472530352 /nfs/dbraw/zinc/53/03/52/472530352.db2.gz LDUQTMRZUSFCBZ-UHFFFAOYSA-N 1 0 327.428 2.764 50 0 EFAARO CN(C)Cc1nnc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C ZINC000077471372 472532607 /nfs/dbraw/zinc/53/26/07/472532607.db2.gz SKAVDRQQRMGEQS-UHFFFAOYSA-N 1 0 347.894 2.910 50 0 EFAARO C[C@@H]1C[N@H+](C2CCN(Cc3nc4ccccc4[nH]3)CC2)C[C@H](C)O1 ZINC000077471000 472532647 /nfs/dbraw/zinc/53/26/47/472532647.db2.gz 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/nfs/dbraw/zinc/54/62/86/472546286.db2.gz OTFJXBUMDQFYBN-GOSISDBHSA-N 1 0 340.414 2.711 50 0 EFAARO Cc1cc(N2CCCC2)nc2sc3c(ncnc3NCC[NH3+])c21 ZINC000071279808 472546554 /nfs/dbraw/zinc/54/65/54/472546554.db2.gz AMFXIXSANLRKAD-UHFFFAOYSA-N 1 0 328.445 2.519 50 0 EFAARO CCOC(=O)c1nccn1CC1CC[NH+](Cc2ccccc2)CC1 ZINC000071405744 472550753 /nfs/dbraw/zinc/55/07/53/472550753.db2.gz JAKTZGAXKJGOHE-UHFFFAOYSA-N 1 0 327.428 2.972 50 0 EFAARO CC(C)[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)CCC[N@@H+]1CC1CC1 ZINC000071419060 472551673 /nfs/dbraw/zinc/55/16/73/472551673.db2.gz VPDONICURJWLRZ-GOSISDBHSA-N 1 0 330.476 2.870 50 0 EFAARO CC(C)[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)CCC[N@@H+]1CC1CC1 ZINC000071419059 472551744 /nfs/dbraw/zinc/55/17/44/472551744.db2.gz VPDONICURJWLRZ-SFHVURJKSA-N 1 0 330.476 2.870 50 0 EFAARO O=C(c1cccnc1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071439415 472551982 /nfs/dbraw/zinc/55/19/82/472551982.db2.gz OPDMREUJZSPALO-XUVXKRRUSA-N 1 0 333.435 2.784 50 0 EFAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NC(C)(C)c3ccccc3)C2)CC1 ZINC000071613782 472553260 /nfs/dbraw/zinc/55/32/60/472553260.db2.gz GXDNHTNVQARGHA-QGZVFWFLSA-N 1 0 343.515 2.844 50 0 EFAARO [NH3+]C1(C(=O)N2CCc3[nH]nc(-c4cccc5ccccc54)c3C2)CCC1 ZINC000071681988 472554631 /nfs/dbraw/zinc/55/46/31/472554631.db2.gz FYLYNIFUOAFGCO-UHFFFAOYSA-N 1 0 346.434 2.996 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)CCC2 ZINC000077565808 472556691 /nfs/dbraw/zinc/55/66/91/472556691.db2.gz NLIILWKVSVXRTA-HXUWFJFHSA-N 1 0 344.499 2.871 50 0 EFAARO CC(C)[C@H]1CN(c2cc(N)ncn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071746202 472557662 /nfs/dbraw/zinc/55/76/62/472557662.db2.gz JFQOQECGUNSBSN-QGZVFWFLSA-N 1 0 343.450 2.935 50 0 EFAARO CC(C)[C@H]1CN(C(=O)c2ncc(F)cc2F)CCC[N@@H+]1CC1CC1 ZINC000071750975 472558188 /nfs/dbraw/zinc/55/81/88/472558188.db2.gz NQIYUCWMBXDNLP-MRXNPFEDSA-N 1 0 337.414 2.942 50 0 EFAARO C[N@@H+]1CC[C@@H](Cn2ccnc2-c2cnc(NCc3ccccc3)nc2)C1 ZINC000071759357 472561882 /nfs/dbraw/zinc/56/18/82/472561882.db2.gz JXDPSUYHKHVEDA-QGZVFWFLSA-N 1 0 348.454 2.904 50 0 EFAARO Cc1cc(C)c(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c(=O)[nH]1 ZINC000071762814 472562078 /nfs/dbraw/zinc/56/20/78/472562078.db2.gz AVULNAQWGOTTFA-QGZVFWFLSA-N 1 0 345.487 2.574 50 0 EFAARO CC(C)[C@H]1C[N@H+](CCC(=O)N(C)C)CCCN1Cc1ccc(F)cc1 ZINC000071767948 472562444 /nfs/dbraw/zinc/56/24/44/472562444.db2.gz MUIPPAFMFXSSJM-LJQANCHMSA-N 1 0 349.494 2.836 50 0 EFAARO COc1cccc(CC[NH2+]C[C@@H](O)COc2cccc(C)c2)c1OC ZINC000071767437 472563440 /nfs/dbraw/zinc/56/34/40/472563440.db2.gz BAZMIGKELUORMU-QGZVFWFLSA-N 1 0 345.439 2.584 50 0 EFAARO O=C1NC[C@]2(CCC[N@@H+](Cc3cc4c(cc3Cl)OCO4)CC2)O1 ZINC000072159450 472631119 /nfs/dbraw/zinc/63/11/19/472631119.db2.gz QATQSFFMYGPAKJ-MRXNPFEDSA-N 1 0 338.791 2.533 50 0 EFAARO O=C(CCc1cc(Cl)no1)N[C@H]1CC[C@H]1[NH2+]C1CCCCC1 ZINC000072135157 472631169 /nfs/dbraw/zinc/63/11/69/472631169.db2.gz OQKOHKYKDXTGHY-KGLIPLIRSA-N 1 0 325.840 2.830 50 0 EFAARO C[N@@H+]1CCc2nc(-c3ccco3)nc(N[C@H]3CCSC3)c2CC1 ZINC000072426074 472662725 /nfs/dbraw/zinc/66/27/25/472662725.db2.gz VQLNUCQTXKZBRN-LBPRGKRZSA-N 1 0 330.457 2.684 50 0 EFAARO COc1ccc(OC)c([C@@H]2[NH2+]CC[C@@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000061717621 472714817 /nfs/dbraw/zinc/71/48/17/472714817.db2.gz HINAQJUAGMVCCT-HKUYNNGSSA-N 1 0 342.370 2.767 50 0 EFAARO COc1ccc([C@H](O)C[NH+]2CCN(c3ccccc3C)CC2)cc1 ZINC000062005054 472727142 /nfs/dbraw/zinc/72/71/42/472727142.db2.gz RVZVXTHGBVWAJA-HXUWFJFHSA-N 1 0 326.440 2.859 50 0 EFAARO Cc1cccnc1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000105289108 472742125 /nfs/dbraw/zinc/74/21/25/472742125.db2.gz HRALGGFKJMGUAD-UHFFFAOYSA-N 1 0 326.444 2.663 50 0 EFAARO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000091305392 472754574 /nfs/dbraw/zinc/75/45/74/472754574.db2.gz REQKAEYWPWZSAW-DLBZAZTESA-N 1 0 343.471 2.562 50 0 EFAARO CC(C)Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)n(C)n1 ZINC000091364604 472759965 /nfs/dbraw/zinc/75/99/65/472759965.db2.gz SNLIIBNWVITOAU-HNNXBMFYSA-N 1 0 332.492 2.613 50 0 EFAARO CCc1cc(N2CC[C@H](Cc3cccc(CO)c3)C2)nc(N(C)C)[nH+]1 ZINC000091547803 472775716 /nfs/dbraw/zinc/77/57/16/472775716.db2.gz CQULRSGDFPQNQK-MRXNPFEDSA-N 1 0 340.471 2.666 50 0 EFAARO O=C1CCC2(CC[NH2+]CC2)CN1CCc1nc2cc(Cl)ccc2[nH]1 ZINC000091621152 472784719 /nfs/dbraw/zinc/78/47/19/472784719.db2.gz TYKJIGKBPZMETJ-UHFFFAOYSA-N 1 0 346.862 2.751 50 0 EFAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](C1CSCCSC1)C2 ZINC000091644820 472788565 /nfs/dbraw/zinc/78/85/65/472788565.db2.gz MDBAMIGFSXJVDC-KRWDZBQOSA-N 1 0 340.558 2.560 50 0 EFAARO CCC(=O)Nc1cccc(C(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000063844865 472820623 /nfs/dbraw/zinc/82/06/23/472820623.db2.gz JTVVSANAGBUAQS-UHFFFAOYSA-N 1 0 331.460 2.982 50 0 EFAARO O=C(NCC[NH+]1CCCC1)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000065229895 472910553 /nfs/dbraw/zinc/91/05/53/472910553.db2.gz BZPDHKZMCBFCTA-UHFFFAOYSA-N 1 0 334.423 2.827 50 0 EFAARO CC(C)=CC[N@H+]1CCN(c2cc(C)nc(C(C)C)n2)C[C@@H]1CCO ZINC000106943166 472917070 /nfs/dbraw/zinc/91/70/70/472917070.db2.gz WVWYFLRBBMMGML-KRWDZBQOSA-N 1 0 332.492 2.748 50 0 EFAARO CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2ccccc2C)n1 ZINC000065363710 472927083 /nfs/dbraw/zinc/92/70/83/472927083.db2.gz JSPZGXVSMTUWAE-UHFFFAOYSA-N 1 0 328.420 2.759 50 0 EFAARO O=C([C@H]1CCC[N@@H+](C2CCCCC2)C1)N(CCO)Cc1ccco1 ZINC000065370514 472927303 /nfs/dbraw/zinc/92/73/03/472927303.db2.gz QTSDGSYFSLGQBO-INIZCTEOSA-N 1 0 334.460 2.645 50 0 EFAARO Cc1cc(N2CC[NH+](C3CCOCC3)CC2)nc(-c2ccccc2)n1 ZINC000065370490 472927425 /nfs/dbraw/zinc/92/74/25/472927425.db2.gz FBJDXBZFEXJVKA-UHFFFAOYSA-N 1 0 338.455 2.753 50 0 EFAARO O=C(NC1c2ccccc2-c2ccccc21)c1cc2n(n1)CCC[NH2+]C2 ZINC000065372184 472928452 /nfs/dbraw/zinc/92/84/52/472928452.db2.gz RHPRGQZCJXPZTD-UHFFFAOYSA-N 1 0 344.418 2.876 50 0 EFAARO c1ccc(-n2nc(C3CC3)nc2CSCC[NH+]2CCCC2)nc1 ZINC000065371552 472928766 /nfs/dbraw/zinc/92/87/66/472928766.db2.gz ZAPAGBFNNQUMGE-UHFFFAOYSA-N 1 0 329.473 2.869 50 0 EFAARO O=C(CC[NH2+]C[C@H](O)c1ccccc1Cl)NCc1cccs1 ZINC000065380335 472930212 /nfs/dbraw/zinc/93/02/12/472930212.db2.gz IGKUOCFOIHMFTM-HNNXBMFYSA-N 1 0 338.860 2.731 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000065383951 472931573 /nfs/dbraw/zinc/93/15/73/472931573.db2.gz WOIIFKFTZRGFBV-IBGZPJMESA-N 1 0 340.471 2.861 50 0 EFAARO c1ccc(-c2noc(CNC3CC[NH+](Cc4ccccn4)CC3)n2)cc1 ZINC000065396638 472932289 /nfs/dbraw/zinc/93/22/89/472932289.db2.gz ZBEVPALDFITOGL-UHFFFAOYSA-N 1 0 349.438 2.886 50 0 EFAARO COCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3oc(C)cc3c2)C1 ZINC000065398251 472933439 /nfs/dbraw/zinc/93/34/39/472933439.db2.gz JEHQGHNUSBOUDX-OAHLLOKOSA-N 1 0 330.428 2.829 50 0 EFAARO c1ncn(-c2ccc(C[NH2+][C@@H]3CCN(Cc4ccccc4)C3)cc2)n1 ZINC000065397846 472934459 /nfs/dbraw/zinc/93/44/59/472934459.db2.gz XVMTYNBZIQRRCH-LJQANCHMSA-N 1 0 333.439 2.631 50 0 EFAARO Cc1ccc(-n2cc(C3=CC[N@H+](CCCC(N)=O)CC3)cn2)c(C)c1 ZINC000065407694 472935266 /nfs/dbraw/zinc/93/52/66/472935266.db2.gz RMPMWZLIRSIHGI-UHFFFAOYSA-N 1 0 338.455 2.844 50 0 EFAARO CCCc1cc(N2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)nc(C)n1 ZINC000065404804 472935638 /nfs/dbraw/zinc/93/56/38/472935638.db2.gz GUWSMJNAYFSAJW-INIZCTEOSA-N 1 0 345.535 2.590 50 0 EFAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1CCn1nnc2ccccc21 ZINC000065408492 472937087 /nfs/dbraw/zinc/93/70/87/472937087.db2.gz PIUJSRMXNHZCFH-UHFFFAOYSA-N 1 0 345.410 2.836 50 0 EFAARO CC[C@@H](Nc1ncnc2sc3c(c21)CC[NH2+]C3)c1ccnn1C ZINC000065427064 472940086 /nfs/dbraw/zinc/94/00/86/472940086.db2.gz PBEBLQFORKWAON-LLVKDONJSA-N 1 0 328.445 2.634 50 0 EFAARO Fc1ccc([C@@]2(C[NH2+]Cc3nc(-c4ccco4)no3)CCOC2)cc1 ZINC000065429389 472941542 /nfs/dbraw/zinc/94/15/42/472941542.db2.gz KTNHBNBTNFPVEY-GOSISDBHSA-N 1 0 343.358 2.917 50 0 EFAARO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3ccccc3Cl)C2)CC1 ZINC000065428662 472942187 /nfs/dbraw/zinc/94/21/87/472942187.db2.gz FLSPTSJRTDWFOW-UHFFFAOYSA-N 1 0 342.892 2.588 50 0 EFAARO CC(=O)N1CCC([NH2+]C[C@H](c2ccc(F)cc2)N2CCCC2)CC1 ZINC000065451533 472945144 /nfs/dbraw/zinc/94/51/44/472945144.db2.gz ILJKCFGJZWRYHR-LJQANCHMSA-N 1 0 333.451 2.563 50 0 EFAARO CC[N@@H+](Cc1cccc(C(=O)Nc2cnccn2)c1)C[C@H]1CCCO1 ZINC000065455467 472945481 /nfs/dbraw/zinc/94/54/81/472945481.db2.gz JLOBVUMARXJUCC-QGZVFWFLSA-N 1 0 340.427 2.730 50 0 EFAARO COc1cccc([C@@H](O)C[NH+]2CCN(c3ccc(C)cc3)CC2)c1 ZINC000049420912 472948250 /nfs/dbraw/zinc/94/82/50/472948250.db2.gz MNVQQDLHFZCDQL-FQEVSTJZSA-N 1 0 326.440 2.859 50 0 biogenic EFAARO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc4ccccc4o3)C2)CC1 ZINC000065464846 472949209 /nfs/dbraw/zinc/94/92/09/472949209.db2.gz ZNIHIPPPAXONKY-UHFFFAOYSA-N 1 0 334.441 2.539 50 0 EFAARO Cc1nc(CCNC(=O)CC[C@H]2CCCC[N@H+]2C)nc2c1CCCC2 ZINC000065470230 472949958 /nfs/dbraw/zinc/94/99/58/472949958.db2.gz VAHJAHCWDBDLKG-MRXNPFEDSA-N 1 0 344.503 2.587 50 0 EFAARO Cc1nc(C)n(C[C@H](C)c2nc(C3CC3)nn2-c2cc[nH+]cc2C)n1 ZINC000065494337 472955662 /nfs/dbraw/zinc/95/56/62/472955662.db2.gz XLJKZQFLEYHMFR-LBPRGKRZSA-N 1 0 337.431 2.860 50 0 EFAARO Cc1nc2c(c(NCc3ccc4c(c3)C[C@@H](C)O4)n1)CC[N@H+](C)CC2 ZINC000065508169 472959889 /nfs/dbraw/zinc/95/98/89/472959889.db2.gz AXVBRVJBNONXHL-CYBMUJFWSA-N 1 0 338.455 2.751 50 0 EFAARO CC(C)C[N@@H+]1CCCC[C@H]1Cc1nc2c([nH]1)C(=O)NCC(C)(C)C2 ZINC000065528015 472967250 /nfs/dbraw/zinc/96/72/50/472967250.db2.gz NQWNOMUCGAPBOJ-AWEZNQCLSA-N 1 0 332.492 2.775 50 0 EFAARO CCc1nc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nn1C ZINC000065532566 472968045 /nfs/dbraw/zinc/96/80/45/472968045.db2.gz PRVKPNWTBZXQFH-AWEZNQCLSA-N 1 0 341.459 2.862 50 0 EFAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1csc(Br)c1)CC2 ZINC000065563807 472976597 /nfs/dbraw/zinc/97/65/97/472976597.db2.gz JJMQPLYKYQBGCA-JTQLQIEISA-N 1 0 327.251 2.515 50 0 EFAARO O=C(c1cnccn1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065623742 472994928 /nfs/dbraw/zinc/99/49/28/472994928.db2.gz VQTCXFOWUHAMCB-OALUTQOASA-N 1 0 336.439 2.746 50 0 EFAARO Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)n1 ZINC000095354435 473190780 /nfs/dbraw/zinc/19/07/80/473190780.db2.gz YCYSLQCSIBYGPC-DOTOQJQBSA-N 1 0 342.418 2.594 50 0 EFAARO Cc1[nH]c2c(cccc2C(=O)NCC2([NH+](C)C)CCOCC2)c1C ZINC000113990857 473431166 /nfs/dbraw/zinc/43/11/66/473431166.db2.gz MQKKOUQSFAWINM-UHFFFAOYSA-N 1 0 329.444 2.625 50 0 EFAARO O=C(Cc1ccc2c(c1)OCC2)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613660 473565797 /nfs/dbraw/zinc/56/57/97/473565797.db2.gz YTQCPXRATSNDFS-ROUUACIJSA-N 1 0 328.456 2.545 50 0 EFAARO O=C(NC[C@@H]1CCCO1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000263677914 473803712 /nfs/dbraw/zinc/80/37/12/473803712.db2.gz IIMXTDPTWSCXGW-IBGZPJMESA-N 1 0 345.487 2.516 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000174436474 474040524 /nfs/dbraw/zinc/04/05/24/474040524.db2.gz VFSZAWCFVHJBHE-HNNXBMFYSA-N 1 0 341.459 2.565 50 0 EFAARO Cc1nccn1CC[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1 ZINC000215944720 474139357 /nfs/dbraw/zinc/13/93/57/474139357.db2.gz KJKLNWBDOVYPJM-QGZVFWFLSA-N 1 0 349.438 2.965 50 0 EFAARO Cc1nc(C(C)C)sc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000220059113 474152940 /nfs/dbraw/zinc/15/29/40/474152940.db2.gz LSDNOJCUJNVDOI-LXTVHRRPSA-N 1 0 349.500 2.556 50 0 EFAARO CCc1nnc(CN(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC000220498996 474156703 /nfs/dbraw/zinc/15/67/03/474156703.db2.gz FSFHJSPGFUABPD-MRXNPFEDSA-N 1 0 342.443 2.645 50 0 EFAARO CN(C)c1cccc(C(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000222368110 474167559 /nfs/dbraw/zinc/16/75/59/474167559.db2.gz BEPJKINNSXNLAN-UHFFFAOYSA-N 1 0 349.478 2.678 50 0 EFAARO CN(C)[C@H](C(=O)NCCC12CCC[NH+]1CCC2)c1cccc(F)c1 ZINC000222502147 474171042 /nfs/dbraw/zinc/17/10/42/474171042.db2.gz IUHDQPJYVCEMME-KRWDZBQOSA-N 1 0 333.451 2.563 50 0 EFAARO O=C(CSc1ccncc1)NC[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000223363871 474183878 /nfs/dbraw/zinc/18/38/78/474183878.db2.gz IMFYSMYDHCOHMH-HNNXBMFYSA-N 1 0 333.501 2.945 50 0 EFAARO Cc1cc(C)nc(N2CCN(Cc3cc(C[NH+](C)C)cs3)CC2)n1 ZINC000223368525 474183886 /nfs/dbraw/zinc/18/38/86/474183886.db2.gz COIIYYBIKBCKDM-UHFFFAOYSA-N 1 0 345.516 2.539 50 0 EFAARO C[NH+]1CCC(OCCCNC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000223416779 474185979 /nfs/dbraw/zinc/18/59/79/474185979.db2.gz JXBKKFUPKWSIIU-UHFFFAOYSA-N 1 0 342.842 2.639 50 0 EFAARO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229220458 474250487 /nfs/dbraw/zinc/25/04/87/474250487.db2.gz UAGPPCIGYYEKJB-ZIAGYGMSSA-N 1 0 344.484 2.624 50 0 EFAARO COc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000188980123 474252718 /nfs/dbraw/zinc/25/27/18/474252718.db2.gz NEOXFZOORXOYEW-CRAIPNDOSA-N 1 0 346.377 2.849 50 0 EFAARO C[C@@H]1CCCC[N@@H+]1C1CN(CCC(=O)NCc2cccc(Cl)c2)C1 ZINC000240500004 474550596 /nfs/dbraw/zinc/55/05/96/474550596.db2.gz NQLDGIFEYZNKGD-OAHLLOKOSA-N 1 0 349.906 2.905 50 0 EFAARO O=C(C[N@@H+]1CCCC[C@@H]1CCn1cccn1)Nc1ccc(F)cc1 ZINC000244795144 474566820 /nfs/dbraw/zinc/56/68/20/474566820.db2.gz RALZDRVBTPLKIK-QGZVFWFLSA-N 1 0 330.407 2.906 50 0 EFAARO CN(Cc1nnc(-c2ccco2)o1)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000244900013 474568037 /nfs/dbraw/zinc/56/80/37/474568037.db2.gz ZUJYLYQHQKKBGT-INIZCTEOSA-N 1 0 338.411 2.818 50 0 EFAARO Cc1nc2cc(C(=O)NC[C@H](O)C[NH+]3CCCCCC3)ccc2s1 ZINC000244899518 474568059 /nfs/dbraw/zinc/56/80/59/474568059.db2.gz ZLAFPKCYPZUZAG-HNNXBMFYSA-N 1 0 347.484 2.571 50 0 EFAARO COc1cccc(-n2cc(CN(C)CC[N@@H+]3C[C@H]4CC[C@@H]3C4)cn2)c1 ZINC000244852879 474568830 /nfs/dbraw/zinc/56/88/30/474568830.db2.gz VAXRFOIUMKRAJD-FUHWJXTLSA-N 1 0 340.471 2.797 50 0 EFAARO COc1ccc(CNC(=O)CCN(C)Cc2csc(C)n2)cc1 ZINC000252484369 474669042 /nfs/dbraw/zinc/66/90/42/474669042.db2.gz FUWKNEFCKBJORL-UHFFFAOYSA-N 1 0 333.457 2.598 50 0 EFAARO COc1coc(C[N@@H+]2CCCC[C@H]2CCn2ccnc2C)cc1=O ZINC000252494891 474679027 /nfs/dbraw/zinc/67/90/27/474679027.db2.gz OHLUQPWGXXDGEN-HNNXBMFYSA-N 1 0 331.416 2.598 50 0 EFAARO O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@H](Oc2ccncc2)C1 ZINC000253472176 474759925 /nfs/dbraw/zinc/75/99/25/474759925.db2.gz JXXNYXDIPPOBTQ-ZDUSSCGKSA-N 1 0 337.301 2.789 50 0 EFAARO CC1CCN(C(=O)CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000261654085 475012572 /nfs/dbraw/zinc/01/25/72/475012572.db2.gz HPLCBQMZEPAJMD-QGZVFWFLSA-N 1 0 335.879 2.545 50 0 EFAARO Cc1ccc(OCC[NH3+])c(C(=O)NCCSc2ccccc2)c1 ZINC000299769751 476153602 /nfs/dbraw/zinc/15/36/02/476153602.db2.gz PUBRLRCTJUXLGT-UHFFFAOYSA-N 1 0 330.453 2.855 50 0 EFAARO CC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000413818981 476746617 /nfs/dbraw/zinc/74/66/17/476746617.db2.gz POINIJVSQUVNBY-CQSZACIVSA-N 1 0 329.366 2.941 50 0 EFAARO O=C(NCc1cn(-c2ccncc2)nn1)c1ccccc1C(F)(F)F ZINC000390829722 476802398 /nfs/dbraw/zinc/80/23/98/476802398.db2.gz GDHVBTOGABOIHT-UHFFFAOYSA-N 1 0 347.300 2.611 50 0 EFAARO C[C@@H](c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)[NH+]1CCOCC1 ZINC000426359901 477706650 /nfs/dbraw/zinc/70/66/50/477706650.db2.gz NYNBAOHUJZREDZ-AWEZNQCLSA-N 1 0 335.411 2.927 50 0 EFAARO COc1ccc(C(=O)NCc2cc(C)ccc2C)c(OCC[NH3+])c1 ZINC000426412327 477707216 /nfs/dbraw/zinc/70/72/16/477707216.db2.gz CRKFELSWKYIZNP-UHFFFAOYSA-N 1 0 328.412 2.580 50 0 EFAARO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(Oc3ccccc3F)CC2)C1 ZINC000426415671 477709091 /nfs/dbraw/zinc/70/90/91/477709091.db2.gz UWIHGGWGHLAXHE-HNNXBMFYSA-N 1 0 349.450 2.720 50 0 EFAARO CCCC[NH+]1CCC(CNC(=O)N2CC(c3ccccn3)C2)CC1 ZINC000426444875 477710534 /nfs/dbraw/zinc/71/05/34/477710534.db2.gz FLGUIEJJOQDYHC-UHFFFAOYSA-N 1 0 330.476 2.703 50 0 EFAARO CC(C)c1noc(CSc2nnc(C[NH3+])n2Cc2ccccc2)n1 ZINC000426444601 477710951 /nfs/dbraw/zinc/71/09/51/477710951.db2.gz MODIGGYAAJNCBP-UHFFFAOYSA-N 1 0 344.444 2.584 50 0 EFAARO CCOCCCNC(=O)c1ccc(-c2c(C)cc(N)[nH+]c2C)cc1 ZINC000426498744 477711724 /nfs/dbraw/zinc/71/17/24/477711724.db2.gz PYIWLHNJQDFTMS-UHFFFAOYSA-N 1 0 327.428 3.104 50 0 EFAARO O=C(NCC1CC[NH2+]CC1)c1cccc(-c2ccc(CCO)cc2)c1 ZINC000426518966 477712501 /nfs/dbraw/zinc/71/25/01/477712501.db2.gz MDODNVJIIRPOCF-UHFFFAOYSA-N 1 0 338.451 2.618 50 0 EFAARO O=C(NCC[NH+]1CCCCC1)N(Cc1ccco1)Cc1ccccn1 ZINC000426518967 477713494 /nfs/dbraw/zinc/71/34/94/477713494.db2.gz MMRGGKYZEKWHGO-UHFFFAOYSA-N 1 0 342.443 2.872 50 0 EFAARO [NH3+]CCOc1ccc(CC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000426530660 477715601 /nfs/dbraw/zinc/71/56/01/477715601.db2.gz XXGWRKXASOWWKO-OQSMONGASA-N 1 0 328.456 2.604 50 0 EFAARO COc1cccc([C@H](C)N(C)C(=O)NCCNc2cc[nH+]cc2C)c1 ZINC000426544238 477718852 /nfs/dbraw/zinc/71/88/52/477718852.db2.gz AQWPLIKHWZKOKU-HNNXBMFYSA-N 1 0 342.443 2.635 50 0 EFAARO COc1cccc([C@@H](C)N(C)C(=O)NCCNc2cc[nH+]cc2C)c1 ZINC000426544244 477719011 /nfs/dbraw/zinc/71/90/11/477719011.db2.gz AQWPLIKHWZKOKU-OAHLLOKOSA-N 1 0 342.443 2.635 50 0 EFAARO Cc1ncsc1CSc1nnc(C[NH3+])n1-c1ccc(F)cc1 ZINC000426551784 477720949 /nfs/dbraw/zinc/72/09/49/477720949.db2.gz JPYYIAKJIQPJCN-UHFFFAOYSA-N 1 0 335.433 2.922 50 0 EFAARO O=C(C1Cc2ccccc2C1)N1CCCN(Cc2cccnc2)CC1 ZINC000426618371 477727383 /nfs/dbraw/zinc/72/73/83/477727383.db2.gz PTUYKUXQNPUBGT-UHFFFAOYSA-N 1 0 335.451 2.531 50 0 EFAARO O=C(c1ccc2scnc2c1)N1CC[NH+](C2CCSCC2)CC1 ZINC000426620288 477727802 /nfs/dbraw/zinc/72/78/02/477727802.db2.gz SOLMNNBILPZOSX-UHFFFAOYSA-N 1 0 347.509 2.950 50 0 EFAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCO1 ZINC000426649397 477731980 /nfs/dbraw/zinc/73/19/80/477731980.db2.gz AOILNCOGCJEKSQ-HNNXBMFYSA-N 1 0 339.505 2.699 50 0 EFAARO CN(CCOc1cccc(Cl)c1)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000426647847 477732885 /nfs/dbraw/zinc/73/28/85/477732885.db2.gz AFTPHSDKKXTNLT-HNNXBMFYSA-N 1 0 339.867 2.845 50 0 EFAARO COc1ccccc1CCCNC(=O)N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000426690300 477738598 /nfs/dbraw/zinc/73/85/98/477738598.db2.gz NCUFGISDTYCJEX-MRXNPFEDSA-N 1 0 345.487 2.896 50 0 EFAARO O=C(Nc1cnns1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000426698212 477738905 /nfs/dbraw/zinc/73/89/05/477738905.db2.gz JHWOVMSKRHRYHE-UHFFFAOYSA-N 1 0 343.456 2.593 50 0 EFAARO Cc1ccc2[nH]c([C@H](NC(=O)NCC3CC[NH2+]CC3)C(C)C)nc2c1 ZINC000426701510 477740709 /nfs/dbraw/zinc/74/07/09/477740709.db2.gz XWTSMIWDWAYPJL-QGZVFWFLSA-N 1 0 343.475 2.867 50 0 EFAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCc1cccn1C ZINC000426711999 477741259 /nfs/dbraw/zinc/74/12/59/477741259.db2.gz HMLQEALGHOCJNC-INIZCTEOSA-N 1 0 325.456 2.521 50 0 EFAARO Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+](C)C2)c2ccc(Cl)cc2n1 ZINC000426740398 477745405 /nfs/dbraw/zinc/74/54/05/477745405.db2.gz HBDOMRVCQRGVAP-ZDUSSCGKSA-N 1 0 347.846 2.505 50 0 EFAARO CC[N@H+](C)[C@@H](C)CCNC(=O)N1CCCOc2c(cccc2OC)C1 ZINC000534584078 478160627 /nfs/dbraw/zinc/16/06/27/478160627.db2.gz GWKUXUMGSXGJLL-HNNXBMFYSA-N 1 0 349.475 2.720 50 0 EFAARO CC1CC[NH+](C(C)(C)CNC(=O)N2CC(c3ccccn3)C2)CC1 ZINC000534586009 478160875 /nfs/dbraw/zinc/16/08/75/478160875.db2.gz YOKWUCNJXWBZRW-UHFFFAOYSA-N 1 0 330.476 2.701 50 0 EFAARO Cc1ccc(C)c(OCCCN(C)C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000534642238 478164135 /nfs/dbraw/zinc/16/41/35/478164135.db2.gz PUKSOFOHYFQAPM-KRWDZBQOSA-N 1 0 333.476 2.808 50 0 EFAARO Cc1nn(C)c(C)c1CN(C)C(=O)NC(C)(C)C[NH+]1CCCCCC1 ZINC000534637853 478164225 /nfs/dbraw/zinc/16/42/25/478164225.db2.gz RKDPHZBYCLJCDN-UHFFFAOYSA-N 1 0 349.523 2.833 50 0 EFAARO CC[N@H+](C)C(C)(C)CNC(=O)N(C)Cc1cc(-c2cccnc2)no1 ZINC000534639229 478165015 /nfs/dbraw/zinc/16/50/15/478165015.db2.gz MVNYHWHVZRVQPI-UHFFFAOYSA-N 1 0 345.447 2.608 50 0 EFAARO CN(C(=O)NCCCSCc1ccco1)C1CC[NH+](C)CC1 ZINC000534658194 478167351 /nfs/dbraw/zinc/16/73/51/478167351.db2.gz LUUDAFPMQHAERK-UHFFFAOYSA-N 1 0 325.478 2.639 50 0 EFAARO CN(C(=O)NCCC1(O)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000534655978 478167425 /nfs/dbraw/zinc/16/74/25/478167425.db2.gz NFDOESNTWAGFRP-GOSISDBHSA-N 1 0 345.487 2.598 50 0 EFAARO CC[N@H+](C)C[C@H](C)CNC(=O)N(C)CCc1nc2c(cccc2C)[nH]1 ZINC000534670114 478168888 /nfs/dbraw/zinc/16/88/88/478168888.db2.gz AUAHWEJYCNZYFN-CQSZACIVSA-N 1 0 345.491 2.643 50 0 EFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1cccc1 ZINC000524730014 478389651 /nfs/dbraw/zinc/38/96/51/478389651.db2.gz RDLAEBBATVSLCE-RBUKOAKNSA-N 1 0 347.503 2.618 50 0 biogenic EFAARO C[C@H](CNC(=O)N(C)Cc1nc2cc(F)ccc2[nH]1)[NH+]1CCCCC1 ZINC000584886394 479270989 /nfs/dbraw/zinc/27/09/89/479270989.db2.gz VAWASKRVITZLSA-CYBMUJFWSA-N 1 0 347.438 2.718 50 0 EFAARO O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)N(CCO)Cc1ccccc1 ZINC000584887685 479271022 /nfs/dbraw/zinc/27/10/22/479271022.db2.gz RUHPXFZVORXSRS-SFHVURJKSA-N 1 0 345.487 2.598 50 0 EFAARO COCC[N@@H+]1CC[C@H](C(=O)NCc2ccc(-c3ccccc3)o2)C1 ZINC000584885008 479271398 /nfs/dbraw/zinc/27/13/98/479271398.db2.gz BTPWIRQLGOHGBJ-INIZCTEOSA-N 1 0 328.412 2.531 50 0 EFAARO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2cccc(O)c2)C2CC2)C1 ZINC000584892320 479273069 /nfs/dbraw/zinc/27/30/69/479273069.db2.gz JEFBWXMTYRTWIM-OAHLLOKOSA-N 1 0 331.460 2.798 50 0 EFAARO Cc1ccc(OC2CN(C(=O)NC[C@@H](C)[NH+]3CCCCC3)C2)cc1 ZINC000584895610 479274283 /nfs/dbraw/zinc/27/42/83/479274283.db2.gz QQZLTBNGOUVIMV-MRXNPFEDSA-N 1 0 331.460 2.642 50 0 EFAARO Cc1nc2cc(CNC(=O)[C@H](Cc3ccccc3)[NH+](C)C)ccc2[nH]1 ZINC000584899185 479275037 /nfs/dbraw/zinc/27/50/37/479275037.db2.gz LSJRENNOPQWMPX-IBGZPJMESA-N 1 0 336.439 2.660 50 0 EFAARO Cc1cc(C)cc(N2CCC([NH2+]CCN3CCCCC3=O)CC2)c1 ZINC000584898920 479275205 /nfs/dbraw/zinc/27/52/05/479275205.db2.gz PJEGROHDQPNOQL-UHFFFAOYSA-N 1 0 329.488 2.874 50 0 EFAARO CN(C/C=C/c1ccccc1)C(=O)NCCCOC1CC[NH+](C)CC1 ZINC000584900839 479276812 /nfs/dbraw/zinc/27/68/12/479276812.db2.gz XLWLXNOUJFZBIP-UXBLZVDNSA-N 1 0 345.487 2.842 50 0 EFAARO Cc1cccnc1CN(C)C(=O)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000584904199 479277809 /nfs/dbraw/zinc/27/78/09/479277809.db2.gz IWKICMCYCVEUIG-INIZCTEOSA-N 1 0 330.476 2.796 50 0 EFAARO O=C(/C=C/c1ccccc1Cl)NCC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000575615353 479455859 /nfs/dbraw/zinc/45/58/59/479455859.db2.gz CZNHNQCEMXQUIT-RTRPANQVSA-N 1 0 348.874 2.970 50 0 EFAARO O=C(/C=C/c1ccccc1Cl)NCC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000575615341 479456606 /nfs/dbraw/zinc/45/66/06/479456606.db2.gz CZNHNQCEMXQUIT-FUTAKVPZSA-N 1 0 348.874 2.970 50 0 EFAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2ccccc2OCCO)C[C@H]1O ZINC000065397641 518191464 /nfs/dbraw/zinc/19/14/64/518191464.db2.gz HUYCIUHCBNSHPS-IAGOWNOFSA-N 1 0 347.480 2.778 50 0 EFAARO CC(C)NS(=O)(=O)CC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000180233625 519731225 /nfs/dbraw/zinc/73/12/25/519731225.db2.gz NBGPXVXGPXJVKP-UHFFFAOYSA-N 1 0 346.496 2.736 50 0 EFAARO CC[C@H](CO)[NH2+]Cc1ccc(OC[C@@H](O)c2ccccc2)c(OC)c1 ZINC000004840500 522226622 /nfs/dbraw/zinc/22/66/22/522226622.db2.gz DTLJXMDJHIJUFG-QZTJIDSGSA-N 1 0 345.439 2.668 50 0 EFAARO COc1cccc(-c2noc3c2C[N@H+](CCCn2cccn2)CC3)c1 ZINC000012835099 525742777 /nfs/dbraw/zinc/74/27/77/525742777.db2.gz QLBKJRNKUASVRX-UHFFFAOYSA-N 1 0 338.411 2.995 50 0 EFAARO CC[NH+]1CCC(N(CCc2ccccn2)Cc2cc(C)no2)CC1 ZINC000216404223 535462347 /nfs/dbraw/zinc/46/23/47/535462347.db2.gz RLKGVMABNKTJCT-UHFFFAOYSA-N 1 0 328.460 2.907 50 0 EFAARO CCc1ccccc1OC1CN(C(=O)NCC[C@H]2CCC[N@@H+]2C)C1 ZINC000426388047 535963531 /nfs/dbraw/zinc/96/35/31/535963531.db2.gz VCDDFKHRMZGLDH-MRXNPFEDSA-N 1 0 331.460 2.506 50 0 EFAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)C(=O)c2cccnc2)cc1 ZINC000215102703 536021097 /nfs/dbraw/zinc/02/10/97/536021097.db2.gz KRPOCXKSWWJPQN-SFHVURJKSA-N 1 0 337.423 2.690 50 0 EFAARO C[N@H+](CCC(=O)Nc1nccs1)Cc1[nH]nc2c1CCCCC2 ZINC000244708167 536307761 /nfs/dbraw/zinc/30/77/61/536307761.db2.gz KOWCNSDMGVKMQH-UHFFFAOYSA-N 1 0 333.461 2.596 50 0 EFAARO C[N@@H+]1CCCN(C(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)CC1 ZINC000244817135 536360684 /nfs/dbraw/zinc/36/06/84/536360684.db2.gz SUUOLOGGJJNUHQ-GOSISDBHSA-N 1 0 333.451 2.517 50 0 EFAARO COc1ccc(Cl)cc1CN(C)c1cc([C@H]2C[C@@H]([NH3+])C2)ncn1 ZINC000244673870 536557472 /nfs/dbraw/zinc/55/74/72/536557472.db2.gz HXCCCGBTODEXDR-VDISTLRHSA-N 1 0 332.835 2.980 50 0 EFAARO COC[C@@H]1CCC[N@@H+]1Cc1ccccc1OCC(=O)N1CCCCC1 ZINC000215047923 536765988 /nfs/dbraw/zinc/76/59/88/536765988.db2.gz FKGCTMUIEVIEPH-SFHVURJKSA-N 1 0 346.471 2.689 50 0 EFAARO COc1ccc(C[N@H+](CCn2ccc(C)n2)C[C@H]2CCCO2)cc1 ZINC000244873477 536858525 /nfs/dbraw/zinc/85/85/25/536858525.db2.gz WRCFUOFBFQZWFD-LJQANCHMSA-N 1 0 329.444 2.881 50 0 EFAARO CC(=O)c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)s1 ZINC000349045704 545995231 /nfs/dbraw/zinc/99/52/31/545995231.db2.gz FMVHTEHJQQVYMU-LSDHHAIUSA-N 1 0 346.427 2.965 50 0 EFAARO COc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)c1F ZINC000423493538 546217565 /nfs/dbraw/zinc/21/75/65/546217565.db2.gz BTZNTOHYDUOQEP-GOEBONIOSA-N 1 0 346.377 2.849 50 0 EFAARO O=C(CCCc1cn[nH]c1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000670439988 547489535 /nfs/dbraw/zinc/48/95/35/547489535.db2.gz WUVLWTHAQZEPDD-UHFFFAOYSA-N 1 0 332.473 2.575 50 0 EFAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1ccccc1-c1ccccc1 ZINC000670445213 547489903 /nfs/dbraw/zinc/48/99/03/547489903.db2.gz VLCHFQLPYGBSCG-SFHVURJKSA-N 1 0 338.451 2.930 50 0 EFAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccccc1-c1ccccc1 ZINC000670445212 547490419 /nfs/dbraw/zinc/49/04/19/547490419.db2.gz VLCHFQLPYGBSCG-GOSISDBHSA-N 1 0 338.451 2.930 50 0 EFAARO CCOC(=O)N1CCC([N@H+](C)Cc2cc(-c3ccccn3)no2)CC1 ZINC000670450279 547491595 /nfs/dbraw/zinc/49/15/95/547491595.db2.gz VJHXTSYQCXZPHT-UHFFFAOYSA-N 1 0 344.415 2.789 50 0 EFAARO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)Cc1ccc(Cl)cc1F ZINC000670472285 547496351 /nfs/dbraw/zinc/49/63/51/547496351.db2.gz BOQAAZPGQZPGAE-CQSZACIVSA-N 1 0 348.871 2.773 50 0 EFAARO CCOc1cc(C[N@H+]2C[C@@H]3[C@H](O)C[C@@H]3C2)cc(Cl)c1OCC ZINC001772703105 1249286406 /nfs/dbraw/zinc/28/64/06/1249286406.db2.gz ZIVGERJSCKCJMC-VNHYZAJKSA-N 1 0 325.836 2.950 50 0 EFAARO COc1nc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)ncc1F ZINC001772703304 1249287093 /nfs/dbraw/zinc/28/70/93/1249287093.db2.gz CZYHZHXLNWIPKS-UHFFFAOYSA-N 1 0 334.370 2.840 50 0 EFAARO N[C@H](Cc1ccccc1)c1nnc(NCC[NH+]2CCCCCC2)o1 ZINC001772703944 1249288221 /nfs/dbraw/zinc/28/82/21/1249288221.db2.gz LFXFUWKDUSWNJQ-MRXNPFEDSA-N 1 0 329.448 2.600 50 0 EFAARO COc1nc(NC[C@H]2CC[N@H+](Cc3ccccc3C)C2)ncc1F ZINC001772705875 1249290963 /nfs/dbraw/zinc/29/09/63/1249290963.db2.gz SRAPRLPOOTUMRF-CQSZACIVSA-N 1 0 330.407 2.867 50 0 EFAARO N[C@H](Cc1ccccc1)c1nnc(NCCCC[NH+]2CCCC2)o1 ZINC001772708735 1249296398 /nfs/dbraw/zinc/29/63/98/1249296398.db2.gz JARBZYMGYFEESM-MRXNPFEDSA-N 1 0 329.448 2.600 50 0 EFAARO COc1nc(NC[C@@H](c2cccnc2)[NH+]2CCCCC2)ncc1F ZINC001772712846 1249301774 /nfs/dbraw/zinc/30/17/74/1249301774.db2.gz RXULHIQVPDWZQS-HNNXBMFYSA-N 1 0 331.395 2.658 50 0 EFAARO C[NH+](C)CC1(CO)CCN(Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001772712802 1249301842 /nfs/dbraw/zinc/30/18/42/1249301842.db2.gz QKMLXGZLNGUMBC-UHFFFAOYSA-N 1 0 348.384 2.981 50 0 EFAARO O=C(Cc1ccc(F)cc1F)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256595 1263288318 /nfs/dbraw/zinc/28/83/18/1263288318.db2.gz KKNBXEMGJCWCBB-OAHLLOKOSA-N 1 0 336.407 2.960 50 0 EFAARO O=C(N[C@@H]1CCN(Cc2ccsc2)C1)c1ccc2nsnc2c1 ZINC000618256417 1263288580 /nfs/dbraw/zinc/28/85/80/1263288580.db2.gz HTAISYVQQVKEOT-CYBMUJFWSA-N 1 0 344.465 2.757 50 0 EFAARO Cn1nccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000011772784 1263874749 /nfs/dbraw/zinc/87/47/49/1263874749.db2.gz BPKLNBIGDONBKM-HXUWFJFHSA-N 1 0 344.503 2.929 50 0 EFAARO O=C(CCc1cccnc1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011821034 1264008731 /nfs/dbraw/zinc/00/87/31/1264008731.db2.gz CYUCGNRWDPGCSA-FQEVSTJZSA-N 1 0 337.467 2.838 50 0 EFAARO CC[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000011874640 1264397909 /nfs/dbraw/zinc/39/79/09/1264397909.db2.gz GVHIPEQHPCFDKI-FQEVSTJZSA-N 1 0 343.515 2.843 50 0 EFAARO CCNC(=O)c1sc2ncnc(NC[C@@H]3CCC[N@@H+]3CC)c2c1C ZINC000012041291 1264752657 /nfs/dbraw/zinc/75/26/57/1264752657.db2.gz OAVCVNPMCOPSIG-LBPRGKRZSA-N 1 0 347.488 2.646 50 0 EFAARO CC(C)c1ncc(CN2CCCO[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000822278828 1265069564 /nfs/dbraw/zinc/06/95/64/1265069564.db2.gz PKZWZNAZRGRYKE-SFHVURJKSA-N 1 0 332.492 2.677 50 0 EFAARO CC[C@@H](C)Oc1ccccc1C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000822645475 1265109375 /nfs/dbraw/zinc/10/93/75/1265109375.db2.gz NTNWYZQGGUCNSU-CYBMUJFWSA-N 1 0 329.448 2.944 50 0 EFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1CN1CCOCC1 ZINC000822718116 1265124823 /nfs/dbraw/zinc/12/48/23/1265124823.db2.gz ARFCTJRHEMHTCB-GOSISDBHSA-N 1 0 345.487 2.722 50 0 EFAARO Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)c(=O)[nH]1 ZINC000012208492 1265161710 /nfs/dbraw/zinc/16/17/10/1265161710.db2.gz ANYXOBQDKRZAIA-MRXNPFEDSA-N 1 0 345.487 2.909 50 0 EFAARO CN(CC[N@H+](C)C1CCCC1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012597614 1265316709 /nfs/dbraw/zinc/31/67/09/1265316709.db2.gz BDSMFSUWPGLICC-MRXNPFEDSA-N 1 0 349.519 2.500 50 0 EFAARO COCC1(C[NH2+][C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CCC1 ZINC000824346798 1266873170 /nfs/dbraw/zinc/87/31/70/1266873170.db2.gz FGGGFNMCCCQBCA-GOSISDBHSA-N 1 0 330.472 2.974 50 0 EFAARO COc1ccnc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000824835776 1266948605 /nfs/dbraw/zinc/94/86/05/1266948605.db2.gz SQVRTBWALDMRPR-CYBMUJFWSA-N 1 0 331.441 2.546 50 0 EFAARO Cc1nc([C@H]2CCCCCN2C)n(-c2ccc3c(c2)OCCO3)n1 ZINC000825273238 1267051383 /nfs/dbraw/zinc/05/13/83/1267051383.db2.gz GZCZGJFIAGXRTK-OAHLLOKOSA-N 1 0 328.416 2.894 50 0 EFAARO O=C(NC1(Cc2ccc(Cl)cc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000825539245 1267107334 /nfs/dbraw/zinc/10/73/34/1267107334.db2.gz AFVHPLQIAXRAIH-HOCLYGCPSA-N 1 0 333.863 2.809 50 0 EFAARO [NH3+][C@H]1CCN(C(=O)NCCCSCc2ccccc2Cl)C1 ZINC000826951609 1267335516 /nfs/dbraw/zinc/33/55/16/1267335516.db2.gz IIGPMYVOURFSKT-ZDUSSCGKSA-N 1 0 327.881 2.706 50 0 EFAARO Cc1c[nH+]ccc1NCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000827641374 1267455326 /nfs/dbraw/zinc/45/53/26/1267455326.db2.gz CIXBMMANCJACIA-AWEZNQCLSA-N 1 0 347.846 2.769 50 0 EFAARO C[C@H](C(=O)N(C)CC[NH+]1CCCCCC1)n1cnc2ccccc21 ZINC000827654560 1267459839 /nfs/dbraw/zinc/45/98/39/1267459839.db2.gz SCRHZXUWRNZWDO-MRXNPFEDSA-N 1 0 328.460 2.932 50 0 EFAARO O=C(CCc1ccncc1)NC[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000827822369 1267492715 /nfs/dbraw/zinc/49/27/15/1267492715.db2.gz BYFBCYXFYQRNQC-QGZVFWFLSA-N 1 0 327.428 2.636 50 0 EFAARO Cn1nccc1CCC(=O)NCC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000827822421 1267492783 /nfs/dbraw/zinc/49/27/83/1267492783.db2.gz KDSOAVBBYJOVGQ-SFHVURJKSA-N 1 0 344.503 2.537 50 0 EFAARO Cc1n[nH]c(C)c1CC(=O)NCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000827847777 1267503141 /nfs/dbraw/zinc/50/31/41/1267503141.db2.gz NPVHUHAAEZNCFE-SFHVURJKSA-N 1 0 340.471 2.565 50 0 EFAARO O=C(Cc1cccnc1)NC[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000827854369 1267503875 /nfs/dbraw/zinc/50/38/75/1267503875.db2.gz NZKZYIOQCQGGIA-INIZCTEOSA-N 1 0 329.469 2.714 50 0 EFAARO O=C(CCc1cccnc1)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828013099 1267562961 /nfs/dbraw/zinc/56/29/61/1267562961.db2.gz PNNLIUSKVKVXOO-INIZCTEOSA-N 1 0 329.469 2.857 50 0 EFAARO Cc1ncnc(C)c1C(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828133689 1267610288 /nfs/dbraw/zinc/61/02/88/1267610288.db2.gz OWIVAWICBIYYQY-CQSZACIVSA-N 1 0 330.457 2.549 50 0 EFAARO Cc1ccnn1CCC(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012431327 1268300196 /nfs/dbraw/zinc/30/01/96/1268300196.db2.gz IHWQRWXIJJSYAN-QGZVFWFLSA-N 1 0 332.492 2.885 50 0 EFAARO CCn1ccnc1C[N@@H+]1CC[C@@]2(C1)CCCN(CC(C)(C)C)C2=O ZINC000012434396 1268312139 /nfs/dbraw/zinc/31/21/39/1268312139.db2.gz TZRSSOAPIQOJAZ-LJQANCHMSA-N 1 0 332.492 2.764 50 0 EFAARO CC(=O)c1cccc(C[NH2+][C@H]2CC(=O)N(CCc3ccccc3)C2)c1 ZINC000012439908 1268388254 /nfs/dbraw/zinc/38/82/54/1268388254.db2.gz DSICQNXEBUNRFO-FQEVSTJZSA-N 1 0 336.435 2.822 50 0 EFAARO c1ccc(-c2noc(C[N@H+](CC3CCC3)C[C@@H]3CCCO3)n2)nc1 ZINC000012570316 1273493083 /nfs/dbraw/zinc/49/30/83/1273493083.db2.gz FYCLAVMDEQVSLG-HNNXBMFYSA-N 1 0 328.416 2.913 50 0 EFAARO O=C(CC[N@H+]1CC[C@H](Cc2ccc(CO)cc2)C1)NC1CCCCC1 ZINC000219608156 1277054595 /nfs/dbraw/zinc/05/45/95/1277054595.db2.gz PPNMQWBMBQWYFH-LJQANCHMSA-N 1 0 344.499 2.882 50 0 EFAARO OC[C@@H]1C[N@@H+](C2CCCCC2)CCC12CCN(c1ncccn1)CC2 ZINC000219617197 1277072439 /nfs/dbraw/zinc/07/24/39/1277072439.db2.gz BGMXJEPLJLCAEX-KRWDZBQOSA-N 1 0 344.503 2.710 50 0 EFAARO CCOc1ccc(C[C@@H]2CC[C@H](C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)O2)nn1 ZINC000952854500 1284871672 /nfs/dbraw/zinc/87/16/72/1284871672.db2.gz QGCPLKSBTZTWIY-OGWHTMIXSA-N 1 0 343.471 2.863 50 0 EFAARO CC[C@@H](C(=O)N(Cc1ccncc1)Cc1ccncc1)[N@H+](C)CC ZINC000952868518 1284887184 /nfs/dbraw/zinc/88/71/84/1284887184.db2.gz ASSFGRNNMJSDEE-SFHVURJKSA-N 1 0 326.444 2.736 50 0 EFAARO Cc1c(NC(=O)C[NH+]2CCCCCC2)cccc1-c1nncn1C ZINC000952869038 1284887406 /nfs/dbraw/zinc/88/74/06/1284887406.db2.gz LDRUTHGAFFOVGF-UHFFFAOYSA-N 1 0 327.432 2.605 50 0 EFAARO O=C(N[C@@H]1CC(=O)Nc2ccccc21)C1([NH+]2CCCC2)CCCCC1 ZINC000952870160 1284891186 /nfs/dbraw/zinc/89/11/86/1284891186.db2.gz WBTQRXPGPYTTAI-QGZVFWFLSA-N 1 0 341.455 2.985 50 0 EFAARO Fc1ccccc1C[NH2+]C12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2 ZINC000952966639 1284914158 /nfs/dbraw/zinc/91/41/58/1284914158.db2.gz VSSNVPFVKVUUBV-MWABVPJASA-N 1 0 327.407 2.650 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cccc3c2CCC3=O)CC1 ZINC000952964243 1284922964 /nfs/dbraw/zinc/92/29/64/1284922964.db2.gz NIFYGSSZWXBHIG-UHFFFAOYSA-N 1 0 349.434 2.871 50 0 EFAARO C[NH2+][C@@H](C)c1nc(Cc2ccccc2OC)nn1CC(F)(F)F ZINC000952964045 1284923056 /nfs/dbraw/zinc/92/30/56/1284923056.db2.gz MTAMATDLHOMECU-JTQLQIEISA-N 1 0 328.338 2.720 50 0 EFAARO CC(C)n1c(C[NH2+]CCN2CCCC[C@@H]2CO)nc2ccccc21 ZINC000952965547 1284924164 /nfs/dbraw/zinc/92/41/64/1284924164.db2.gz QDOFXNOVZRTISX-MRXNPFEDSA-N 1 0 330.476 2.554 50 0 EFAARO CC(C)n1c(C[NH2+]CCN2CCCC[C@H]2CO)nc2ccccc21 ZINC000952965545 1284924426 /nfs/dbraw/zinc/92/44/26/1284924426.db2.gz QDOFXNOVZRTISX-INIZCTEOSA-N 1 0 330.476 2.554 50 0 EFAARO COc1cc(NC(=O)[C@H]2CCCC[NH2+]2)ccc1NC(=O)CC(C)C ZINC000952964461 1284924838 /nfs/dbraw/zinc/92/48/38/1284924838.db2.gz ONCDHHCXSXMQPY-OAHLLOKOSA-N 1 0 333.432 2.760 50 0 EFAARO COCCn1ccnc1CN1CC[C@H](c2cccc(OC)c2OC)C1 ZINC000952964921 1284924871 /nfs/dbraw/zinc/92/48/71/1284924871.db2.gz ARRAGOKSWYDQNT-HNNXBMFYSA-N 1 0 345.443 2.536 50 0 EFAARO CCc1oc(C(=O)N(C)Cc2c[nH]nc2C)cc1C[NH+]1CCCC1 ZINC000952965921 1284926583 /nfs/dbraw/zinc/92/65/83/1284926583.db2.gz SKJWUXXCEZBBTI-UHFFFAOYSA-N 1 0 330.432 2.742 50 0 EFAARO C[C@@H](C[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc2c(c1)OCO2 ZINC000952972938 1284944088 /nfs/dbraw/zinc/94/40/88/1284944088.db2.gz HMCQIQZNACWYBI-GFCCVEGCSA-N 1 0 339.395 2.966 50 0 EFAARO O=C(c1ccncc1)N1CCC([N@@H+]2CCOc3ccccc3C2)CC1 ZINC000952974962 1284947610 /nfs/dbraw/zinc/94/76/10/1284947610.db2.gz KASUSCJYEWCBLR-UHFFFAOYSA-N 1 0 337.423 2.581 50 0 EFAARO Cc1ccc([C@H](CNC(=O)CCN2CCCCCC2=O)[NH+](C)C)cc1 ZINC000952979224 1284957905 /nfs/dbraw/zinc/95/79/05/1284957905.db2.gz UBHIFYUYMHJQIE-SFHVURJKSA-N 1 0 345.487 2.507 50 0 EFAARO CCOc1ccc(OCc2nc(C[NH3+])n(Cc3ccccc3)n2)cc1 ZINC000952979911 1284958740 /nfs/dbraw/zinc/95/87/40/1284958740.db2.gz PYFQNKITWDBBKJ-UHFFFAOYSA-N 1 0 338.411 2.763 50 0 EFAARO C[C@H](C[N@H+](C)Cc1cc2ccc(Cl)cc2[nH]c1=O)N1CCOCC1 ZINC000952967768 1284964498 /nfs/dbraw/zinc/96/44/98/1284964498.db2.gz BSJGDYDROBLCAR-CYBMUJFWSA-N 1 0 349.862 2.746 50 0 EFAARO CC1=C(C(=O)NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)OCCO1 ZINC000952968799 1284965748 /nfs/dbraw/zinc/96/57/48/1284965748.db2.gz NYBBQNYNRLGPAH-GOSISDBHSA-N 1 0 344.455 2.826 50 0 EFAARO CC(C)(O)Cn1nc(-c2ccc(Cl)cc2)nc1C1CC[NH2+]CC1 ZINC000952985940 1284986849 /nfs/dbraw/zinc/98/68/49/1284986849.db2.gz UMQMEODLHCWYPF-UHFFFAOYSA-N 1 0 334.851 2.836 50 0 EFAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000952986887 1284989186 /nfs/dbraw/zinc/98/91/86/1284989186.db2.gz BMCBIBHIAHZLQM-CCLIWJKGSA-N 1 0 349.519 2.613 50 0 EFAARO OC[C@H]1CCCN(CC[NH2+]Cc2ccc3cc(Cl)ccc3n2)C1 ZINC000952988082 1284989914 /nfs/dbraw/zinc/98/99/14/1284989914.db2.gz NDXZWXDURDMYBA-AWEZNQCLSA-N 1 0 333.863 2.682 50 0 EFAARO C[NH+]1CCC(Cc2noc([C@H](c3cccnc3)N3CCCC3)n2)CC1 ZINC000095355619 1292069421 /nfs/dbraw/zinc/06/94/21/1292069421.db2.gz LRBIMEPUWCQGOJ-SFHVURJKSA-N 1 0 341.459 2.534 50 0 EFAARO CCCc1nc(C)cc(N2CCC([NH2+][C@H](C)c3ccncn3)CC2)n1 ZINC000095511816 1292251084 /nfs/dbraw/zinc/25/10/84/1292251084.db2.gz TVCHSUXSHIYWTK-OAHLLOKOSA-N 1 0 340.475 2.847 50 0 EFAARO CN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191885193 1292708364 /nfs/dbraw/zinc/70/83/64/1292708364.db2.gz SIHOSBAIEXMXLJ-UHFFFAOYSA-N 1 0 348.871 2.727 50 0 EFAARO CCCCN(Cc1sccc1C)C(=O)C[C@@H]1CN(C)CC[N@@H+]1C ZINC000065528766 1294035642 /nfs/dbraw/zinc/03/56/42/1294035642.db2.gz JTHHPFVPYWVASV-MRXNPFEDSA-N 1 0 337.533 2.821 50 0 EFAARO CCOC(=O)N1CCC([NH+]2CCN(c3ccccc3C)CC2)CC1 ZINC000000220814 1302061614 /nfs/dbraw/zinc/06/16/14/1302061614.db2.gz KXFAMVBROUWNIE-UHFFFAOYSA-N 1 0 331.460 2.738 50 0 EFAARO CCn1nc(C)c(C[NH2+][C@@H]2CCCc3nc(N(C)C)ncc32)c1C ZINC000012714810 1307072415 /nfs/dbraw/zinc/07/24/15/1307072415.db2.gz ICTNHAPXWGMDMY-MRXNPFEDSA-N 1 0 328.464 2.543 50 0 EFAARO CCn1nc(C)c(C[NH2+][C@H]2CCCc3nc(N(C)C)ncc32)c1C ZINC000012714815 1307072576 /nfs/dbraw/zinc/07/25/76/1307072576.db2.gz ICTNHAPXWGMDMY-INIZCTEOSA-N 1 0 328.464 2.543 50 0 EFAARO CC(C)C[N@H+]1C[C@H](C(=O)N(C)C)C[C@H](COc2cccc(F)c2)C1 ZINC000014744774 1311232000 /nfs/dbraw/zinc/23/20/00/1311232000.db2.gz FATFTTKCGXVITM-JKSUJKDBSA-N 1 0 336.451 2.887 50 0 EFAARO COCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CC(C)C)C3 ZINC000014989394 1311428864 /nfs/dbraw/zinc/42/88/64/1311428864.db2.gz HSHPMTQUPPPAQS-ZDUSSCGKSA-N 1 0 349.500 2.597 50 0 EFAARO O=C(NCc1cccs1)[C@H]1CC12CC[NH+]([C@H]1CCSC1)CC2 ZINC000014988508 1311429043 /nfs/dbraw/zinc/42/90/43/1311429043.db2.gz IOGCICZYFAAWJY-DZGCQCFKSA-N 1 0 336.526 2.972 50 0 EFAARO COCCN1CCC[C@]2(CC[N@H+](C/C=C/c3ccc(F)cc3)C2)C1=O ZINC000015064698 1311466522 /nfs/dbraw/zinc/46/65/22/1311466522.db2.gz YMKMEKBUWLGMBB-WLMDGNKMSA-N 1 0 346.446 2.800 50 0 EFAARO COc1cccc(CN2CCC[C@]3(CC[N@@H+](C(C)C)C3)C2=O)c1OC ZINC000015061874 1311466776 /nfs/dbraw/zinc/46/67/76/1311466776.db2.gz JKOAAKLAYFJGOF-HXUWFJFHSA-N 1 0 346.471 2.927 50 0 EFAARO O=C(N[C@@H]1CC[N@H+](Cc2ccsc2)C1)c1ccc2nccnc2c1 ZINC001016200955 1312650919 /nfs/dbraw/zinc/65/09/19/1312650919.db2.gz AIGXNYCXELJGNO-OAHLLOKOSA-N 1 0 338.436 2.696 50 0 EFAARO O=C(c1ccco1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccnc2)C1 ZINC000020166285 1314604933 /nfs/dbraw/zinc/60/49/33/1314604933.db2.gz DCIJMBOASUUPFU-SJORKVTESA-N 1 0 325.412 2.801 50 0 EFAARO O=C(N[C@H]1CC(=O)Nc2ccccc21)c1ccc(C[NH+]2CCCC2)o1 ZINC000020997260 1314755383 /nfs/dbraw/zinc/75/53/83/1314755383.db2.gz NAGXAVMAZMGJCQ-INIZCTEOSA-N 1 0 339.395 2.689 50 0 EFAARO O=C(NCCc1cn2ccccc2n1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000020999094 1314755417 /nfs/dbraw/zinc/75/54/17/1314755417.db2.gz IVFOCLONOCNUSQ-CQSZACIVSA-N 1 0 340.452 2.793 50 0 EFAARO CC(C)NC(=O)c1ccc(NC(=O)c2ccc(CC[NH3+])cc2)cc1 ZINC000391666736 1316244103 /nfs/dbraw/zinc/24/41/03/1316244103.db2.gz LKHJKJCLDJLQHO-UHFFFAOYSA-N 1 0 325.412 2.578 50 0 EFAARO CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001421609842 1378878331 /nfs/dbraw/zinc/87/83/31/1378878331.db2.gz AYZHSPGWQYZKBK-LJQANCHMSA-N 1 0 338.455 2.929 50 0 EFAARO Cc1c(Cl)cccc1NC(=O)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC001506398159 1405749659 /nfs/dbraw/zinc/74/96/59/1405749659.db2.gz HRNLXQQULIXDSG-HUUCEWRRSA-N 1 0 337.851 2.576 50 0 EFAARO c1csc(C[N@H+]2CCCN(Cc3cccc4nonc43)CC2)c1 ZINC001506403204 1405751726 /nfs/dbraw/zinc/75/17/26/1405751726.db2.gz SHPBEXBGHVCJON-UHFFFAOYSA-N 1 0 328.441 2.992 50 0 EFAARO CCc1oc(C(=O)Nc2cnn3c2NCCC3)cc1C[NH+]1CCCC1 ZINC001506404836 1405753176 /nfs/dbraw/zinc/75/31/76/1405753176.db2.gz SBDXQTUPJUZLME-UHFFFAOYSA-N 1 0 343.431 2.702 50 0 EFAARO Cc1c(NC(=O)C[N@@H+]2CCCC[C@H]2CCc2ccccn2)cnn1C ZINC001506404878 1405753184 /nfs/dbraw/zinc/75/31/84/1405753184.db2.gz JKSPFTNUBSXTGM-KRWDZBQOSA-N 1 0 341.459 2.549 50 0 EFAARO Cc1cc(C)n(C[C@H](C)[NH+]2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC001506406702 1405754390 /nfs/dbraw/zinc/75/43/90/1405754390.db2.gz MYTQVBHGQSZFMX-KRWDZBQOSA-N 1 0 330.451 2.845 50 0 EFAARO O=C(/C=C/c1cc(CO)cs1)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC001506408320 1405754926 /nfs/dbraw/zinc/75/49/26/1405754926.db2.gz DKNCFCRONOTGDO-VBROQKIQSA-N 1 0 334.485 2.634 50 0 EFAARO O=C1CC[N@H+](C[C@@H]2CCOC2)CCN1Cc1cccc2ccccc21 ZINC001506407729 1405755043 /nfs/dbraw/zinc/75/50/43/1405755043.db2.gz UKFGCSXVKCUEOE-KRWDZBQOSA-N 1 0 338.451 2.911 50 0 EFAARO CC[N@H+](CCn1cccn1)Cc1cc2c(cc1OC)OCCCO2 ZINC001506407988 1405755310 /nfs/dbraw/zinc/75/53/10/1405755310.db2.gz AJHPHRDNYWETHS-UHFFFAOYSA-N 1 0 331.416 2.575 50 0 EFAARO O=C(Cc1ccccc1)NC[C@@H]1CCC[N@H+](CCCn2cccc2)C1 ZINC001506415606 1405758571 /nfs/dbraw/zinc/75/85/71/1405758571.db2.gz ZDRUXNFGFDLFBB-FQEVSTJZSA-N 1 0 339.483 2.949 50 0 EFAARO c1nncn1CCN1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001506420228 1405760732 /nfs/dbraw/zinc/76/07/32/1405760732.db2.gz ZBDCBKMRCNPBDB-FQEVSTJZSA-N 1 0 339.487 2.656 50 0 EFAARO O=C1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CCN1CC1CC1 ZINC001506419534 1405761111 /nfs/dbraw/zinc/76/11/11/1405761111.db2.gz FDFHNCNJKOIUGX-QGZVFWFLSA-N 1 0 344.455 2.729 50 0 EFAARO CCCCSc1ncc(C[N@@H+]2CCC[C@](CC)(C(N)=O)C2)cn1 ZINC001506420463 1405761275 /nfs/dbraw/zinc/76/12/75/1405761275.db2.gz DVOWKSKJZAMEBL-KRWDZBQOSA-N 1 0 336.505 2.846 50 0 EFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCc2csc(-c3ncccn3)n2)n1 ZINC001506425830 1405763115 /nfs/dbraw/zinc/76/31/15/1405763115.db2.gz DPOXUUZUQFHOGR-CYBMUJFWSA-N 1 0 342.472 2.634 50 0 EFAARO Clc1ccc(N2CC[NH+](C3CSCCSC3)CC2)nc1 ZINC001506423857 1405763407 /nfs/dbraw/zinc/76/34/07/1405763407.db2.gz YAWKHUFSTCJPIP-UHFFFAOYSA-N 1 0 329.922 2.706 50 0 EFAARO Cc1cc(OC[C@H](O)C[NH2+]C2CSCCSC2)ccc1Cl ZINC001506424821 1405763465 /nfs/dbraw/zinc/76/34/65/1405763465.db2.gz CPGKUGHUJMAQFY-CYBMUJFWSA-N 1 0 347.933 2.826 50 0 EFAARO C[C@@H](NCc1cccc(OCC[NH+]2CCCCC2)c1)c1nncn1C ZINC001506425821 1405763552 /nfs/dbraw/zinc/76/35/52/1405763552.db2.gz SAJNIDMSTAPITR-MRXNPFEDSA-N 1 0 343.475 2.531 50 0 EFAARO C[NH+](C)CCc1nnc(NC(=O)C[C@@H]2CCc3ccccc32)s1 ZINC001506428419 1405766038 /nfs/dbraw/zinc/76/60/38/1405766038.db2.gz OWWHSKGZMDSSAS-ZDUSSCGKSA-N 1 0 330.457 2.701 50 0 EFAARO Cc1ccc(N2CCC([N@@H+]3CCN4C(=O)OC[C@@H]4C3)CC2)cc1Cl ZINC001506431299 1405768189 /nfs/dbraw/zinc/76/81/89/1405768189.db2.gz HMMDBKVRWZDULZ-INIZCTEOSA-N 1 0 349.862 2.754 50 0 EFAARO CCc1nccc(C[N@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)n1 ZINC001704280464 1417898419 /nfs/dbraw/zinc/89/84/19/1417898419.db2.gz VDPSHTRKBNNXQP-OXQOHEQNSA-N 1 0 348.450 2.623 50 0 EFAARO COc1cc2c(cc1OC)C1(CC[NH+](C[C@@H]3CCOC3)CC1)OCC2 ZINC001704297399 1417900612 /nfs/dbraw/zinc/90/06/12/1417900612.db2.gz QAMWOCNUSGPZQX-HNNXBMFYSA-N 1 0 347.455 2.604 50 0 EFAARO Cc1ccsc1[C@H](CNc1nc(C)c(C)cc1C(N)=O)[NH+](C)C ZINC001704304388 1417902053 /nfs/dbraw/zinc/90/20/53/1417902053.db2.gz QXUVUMAWHKNHQX-AWEZNQCLSA-N 1 0 332.473 2.882 50 0 EFAARO Cc1cc(C(N)=O)c(NC2CC[NH+](C3CCSCC3)CC2)nc1C ZINC001704304185 1417902236 /nfs/dbraw/zinc/90/22/36/1417902236.db2.gz PIBBILFECIJHSL-UHFFFAOYSA-N 1 0 348.516 2.569 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)Cc1cccc(Cl)c1 ZINC001704311247 1417904357 /nfs/dbraw/zinc/90/43/57/1417904357.db2.gz AYWYRKWTNUOJQR-UHFFFAOYSA-N 1 0 334.851 2.504 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)CCc1ccc(C)cc1 ZINC001704311910 1417904380 /nfs/dbraw/zinc/90/43/80/1417904380.db2.gz WPAUYPUWYCVMGS-UHFFFAOYSA-N 1 0 328.460 2.550 50 0 EFAARO C[NH+](C)CCN(Cc1c[nH]cn1)C(=O)c1scc2c1CCCC2 ZINC001704325507 1417906740 /nfs/dbraw/zinc/90/67/40/1417906740.db2.gz NSFOHKGXWKRFGT-UHFFFAOYSA-N 1 0 332.473 2.554 50 0 EFAARO Cc1cc(Cl)ccc1OC[C@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000022147115 713853698 /nfs/dbraw/zinc/85/36/98/713853698.db2.gz FJZSPVYGGKOIHV-GOSISDBHSA-N 1 0 349.858 2.883 50 0 EFAARO C[NH+]1CCN(CCOCCOc2c(Cl)cccc2Cl)CC1 ZINC000022171357 713894774 /nfs/dbraw/zinc/89/47/74/713894774.db2.gz YBXOWEGMXKQPAP-UHFFFAOYSA-N 1 0 333.259 2.636 50 0 EFAARO C[N@H+](CCO)CCOCCOc1c(Cl)cc(Cl)cc1Cl ZINC000002975020 715829098 /nfs/dbraw/zinc/82/90/98/715829098.db2.gz QBSQQYBLDDUJFZ-UHFFFAOYSA-N 1 0 342.650 2.966 50 0 EFAARO O=C(c1ccc2cc[nH]c2c1)N1CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC000982036241 719485594 /nfs/dbraw/zinc/48/55/94/719485594.db2.gz GJSNCUQSCQOQBT-GOSISDBHSA-N 1 0 341.455 2.885 50 0 EFAARO CCc1nc(C)c(C(=O)N2CCCN(Cc3ccsc3)CC2)o1 ZINC000989415312 1105980389 /nfs/dbraw/zinc/98/03/89/1105980389.db2.gz BPZTZIOJSRFMBW-UHFFFAOYSA-N 1 0 333.457 2.955 50 0 EFAARO COC[C@H](C)[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000989609264 1106477881 /nfs/dbraw/zinc/47/78/81/1106477881.db2.gz UBZVRGLMFVHDOR-ZDUSSCGKSA-N 1 0 340.851 2.531 50 0 EFAARO Cc1nn(CCO)cc1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000072169372 1119211226 /nfs/dbraw/zinc/21/12/26/1119211226.db2.gz GJRBVDMMNDFKDX-UHFFFAOYSA-N 1 0 349.862 2.881 50 0 EFAARO Cc1cc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)cnc1C ZINC000097609962 219041094 /nfs/dbraw/zinc/04/10/94/219041094.db2.gz YOUGTTVKPDHNIK-UHFFFAOYSA-N 1 0 333.501 2.788 50 0 EFAARO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](CCC(=O)N(C)C)C1 ZINC000072139098 282090642 /nfs/dbraw/zinc/09/06/42/282090642.db2.gz HULQMAVXJYDKGO-MRXNPFEDSA-N 1 0 328.460 2.723 50 0 EFAARO Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CCOc2ccccc2C1 ZINC000097655519 219044527 /nfs/dbraw/zinc/04/45/27/219044527.db2.gz ZHHVUGKMOGWTJS-MRXNPFEDSA-N 1 0 325.412 2.560 50 0 EFAARO O=C1OCC[C@@H]2[C@@H]1[C@H]1CCC[N@@H+]1C21CCN(Cc2ccccc2)CC1 ZINC000004722431 210260060 /nfs/dbraw/zinc/26/00/60/210260060.db2.gz QTWXGPYSKRWGJN-GUDVDZBRSA-N 1 0 340.467 2.679 50 0 EFAARO O=C1OCC[C@@H]2[C@H]1[C@H]1CCC[N@@H+]1C21CCN(Cc2ccccc2)CC1 ZINC000004722429 210259836 /nfs/dbraw/zinc/25/98/36/210259836.db2.gz QTWXGPYSKRWGJN-QRVBRYPASA-N 1 0 340.467 2.679 50 0 EFAARO CC1(C)CC(CC(=O)NC[C@@H](O)c2ccccc2F)CC(C)(C)[NH2+]1 ZINC000097675313 219047371 /nfs/dbraw/zinc/04/73/71/219047371.db2.gz DBPYCFAWMFDWKQ-MRXNPFEDSA-N 1 0 336.451 2.922 50 0 EFAARO COc1ccc(CN(C)Cc2nnc(C)o2)cc1C[NH+]1CCCC1 ZINC000097713470 219050197 /nfs/dbraw/zinc/05/01/97/219050197.db2.gz NPVBLYJNUQHLSB-UHFFFAOYSA-N 1 0 330.432 2.614 50 0 EFAARO CC1(C)CC(CC(=O)N[C@H](CO)c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000097713703 219050921 /nfs/dbraw/zinc/05/09/21/219050921.db2.gz JLISXBBOUUKFFG-MRXNPFEDSA-N 1 0 336.451 2.922 50 0 EFAARO O=c1cc(C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)[nH]c2ccccc12 ZINC000097743084 219053528 /nfs/dbraw/zinc/05/35/28/219053528.db2.gz ZNNVDXPNYPRUQW-OAQYLSRUSA-N 1 0 349.434 2.869 50 0 EFAARO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000090699633 282141573 /nfs/dbraw/zinc/14/15/73/282141573.db2.gz BQPXLMPWMFOJAD-SFHVURJKSA-N 1 0 343.496 2.987 50 0 EFAARO C[C@@H](CC[NH+]1CCC(Cc2nnc(CO)n2C)CC1)c1ccccc1 ZINC000055269750 214298007 /nfs/dbraw/zinc/29/80/07/214298007.db2.gz JRHQRHQXSMYHNN-INIZCTEOSA-N 1 0 342.487 2.756 50 0 EFAARO O=C1C[C@H]([NH2+]CCc2cccs2)C(=O)N1c1ccc(Cl)cc1 ZINC000004689941 210248909 /nfs/dbraw/zinc/24/89/09/210248909.db2.gz YUVJPKJLFYOHMG-AWEZNQCLSA-N 1 0 334.828 2.866 50 0 EFAARO CCOc1cc(C[N@H+](CC)[C@H]2COC[C@@H]2O)cc(Cl)c1OCC ZINC000055309027 214305393 /nfs/dbraw/zinc/30/53/93/214305393.db2.gz MWAZZVNVJUPDRD-GJZGRUSLSA-N 1 0 343.851 2.719 50 0 EFAARO O=C1N(CC2CC2)CCC[C@@]1(O)C[NH2+]Cc1cc2ccccc2s1 ZINC000055386245 214315228 /nfs/dbraw/zinc/31/52/28/214315228.db2.gz GQHPOBVVMWEFAG-LJQANCHMSA-N 1 0 344.480 2.754 50 0 EFAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)C1 ZINC000055393339 214316556 /nfs/dbraw/zinc/31/65/56/214316556.db2.gz AYPQEJARINYKOY-CQSZACIVSA-N 1 0 337.851 2.855 50 0 EFAARO COCC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CCN(C)CC1 ZINC000055342490 214310248 /nfs/dbraw/zinc/31/02/48/214310248.db2.gz AMUKOPBDKQIZEN-UHFFFAOYSA-N 1 0 346.450 2.758 50 0 EFAARO Cc1nsc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000055344228 214310577 /nfs/dbraw/zinc/31/05/77/214310577.db2.gz JIDDCHRTUOKVBE-UHFFFAOYSA-N 1 0 331.445 2.764 50 0 EFAARO Cc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[C@H](O)[C@@H](O)C[C@@H]4C3)c2)o1 ZINC000097759325 219055929 /nfs/dbraw/zinc/05/59/29/219055929.db2.gz BYCWKQMCBIUUAG-RDGPPVDQSA-N 1 0 327.424 2.819 50 0 EFAARO O=C(c1cnc2c(c1)CCCC2)N1CCC([NH+]2CCSCC2)CC1 ZINC000097766233 219055961 /nfs/dbraw/zinc/05/59/61/219055961.db2.gz KXHBDAUFLDUUOC-UHFFFAOYSA-N 1 0 345.512 2.614 50 0 EFAARO CCc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)s2)cn1 ZINC000055393570 214318163 /nfs/dbraw/zinc/31/81/63/214318163.db2.gz RQBNSZRIBCANJB-UHFFFAOYSA-N 1 0 332.473 2.613 50 0 EFAARO OCCCc1cn(C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)nn1 ZINC000055568885 214330234 /nfs/dbraw/zinc/33/02/34/214330234.db2.gz USBLSVFOAXPQLS-HNQUOIGGSA-N 1 0 344.434 2.692 50 0 EFAARO COc1cccc(C(=O)N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1OC ZINC000004688593 210247290 /nfs/dbraw/zinc/24/72/90/210247290.db2.gz YJANRONIWZZKHJ-ZMSDIMECSA-N 1 0 344.455 2.650 50 0 EFAARO CN(CCC[NH+]1CCCCCC1)C(=O)c1c[nH]c(=O)c2ccccc12 ZINC000097785348 219057648 /nfs/dbraw/zinc/05/76/48/219057648.db2.gz OBCVQDYHRZNFDN-UHFFFAOYSA-N 1 0 341.455 2.866 50 0 EFAARO CCCCSc1ncc(C[NH+]2CCC3(COC(=O)O3)CC2)cn1 ZINC000097797368 219058037 /nfs/dbraw/zinc/05/80/37/219058037.db2.gz RILONVWSNKNNDK-UHFFFAOYSA-N 1 0 337.445 2.870 50 0 EFAARO Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCCCC[N@H+]1C ZINC000091690158 282199701 /nfs/dbraw/zinc/19/97/01/282199701.db2.gz NVSLQXKEALXSDD-SFHVURJKSA-N 1 0 326.444 2.671 50 0 EFAARO CCCCOCc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+]CCC ZINC000004566909 210222392 /nfs/dbraw/zinc/22/23/92/210222392.db2.gz AJJIRCZLPNCESC-SFHVURJKSA-N 1 0 337.460 2.945 50 0 EFAARO O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(O)(c1ccccc1)c1ccccc1 ZINC000100013507 219088196 /nfs/dbraw/zinc/08/81/96/219088196.db2.gz HIIVXBCWDPCZJA-BWTSREIZSA-N 1 0 337.419 2.749 50 0 in-vitro EFAARO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2cc(C)cc(C)c2C)CC1 ZINC000004305216 210165216 /nfs/dbraw/zinc/16/52/16/210165216.db2.gz JWHZKWRFLFSECH-GOSISDBHSA-N 1 0 349.471 2.627 50 0 EFAARO COc1ccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000004271632 210157437 /nfs/dbraw/zinc/15/74/37/210157437.db2.gz FVXDMCLIXYBLHJ-UHFFFAOYSA-N 1 0 325.412 2.875 50 0 EFAARO O=C(NCCC[NH+]1CCCCCC1)C(=O)c1c[nH]c2ccccc12 ZINC000004163327 210135480 /nfs/dbraw/zinc/13/54/80/210135480.db2.gz GPBXJIPEDVERPG-UHFFFAOYSA-N 1 0 327.428 2.733 50 0 EFAARO CC[C@]1(C)C[C@H]([C@H](O)C[NH2+]Cc2ccc(OC)c(OC)c2)CCO1 ZINC000004025606 210102168 /nfs/dbraw/zinc/10/21/68/210102168.db2.gz RMOMIOWOQMAUHS-GPMSIDNRSA-N 1 0 337.460 2.750 50 0 biogenic EFAARO C[C@@H](C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1)[NH+]1CCCC1 ZINC000102546668 219210177 /nfs/dbraw/zinc/21/01/77/219210177.db2.gz BDFIXOAMMXFXKV-ZDUSSCGKSA-N 1 0 342.418 2.585 50 0 EFAARO O[C@@H]1C[N@@H+](C2Cc3ccccc3C2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067446933 215146973 /nfs/dbraw/zinc/14/69/73/215146973.db2.gz WGBAPSGDCYQUCJ-RBUKOAKNSA-N 1 0 337.419 2.733 50 0 EFAARO Cc1cccnc1C(=O)NC[C@H]1CC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000067459346 215147937 /nfs/dbraw/zinc/14/79/37/215147937.db2.gz NXRKHLQAFFGUGN-MRXNPFEDSA-N 1 0 335.451 2.609 50 0 EFAARO C[C@@H](NC(=O)CC[N@H+](C)Cc1[nH]nc2c1CCC2)c1ccccc1 ZINC000067513763 215156269 /nfs/dbraw/zinc/15/62/69/215156269.db2.gz WZZLMQFSYSLFHZ-CQSZACIVSA-N 1 0 326.444 2.598 50 0 EFAARO O=C(CCc1ccncc1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000067472858 215151137 /nfs/dbraw/zinc/15/11/37/215151137.db2.gz RVETWSOUZDNHFH-UHFFFAOYSA-N 1 0 349.478 2.716 50 0 EFAARO O[C@@H]1CCCC[C@H]1n1cc(C2=CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000067490428 215154889 /nfs/dbraw/zinc/15/48/89/215154889.db2.gz GZUFYVQDPGPBHY-WOJBJXKFSA-N 1 0 344.503 2.544 50 0 EFAARO O=C(Cc1c[nH]c2ccccc12)NC[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000067603455 215167531 /nfs/dbraw/zinc/16/75/31/215167531.db2.gz HMZYHYXQLWIKQV-HNNXBMFYSA-N 1 0 337.423 2.942 50 0 EFAARO CCC1([NH2+]C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067605488 215167943 /nfs/dbraw/zinc/16/79/43/215167943.db2.gz SRCVQNDFHWLIPO-FQEVSTJZSA-N 1 0 330.472 2.505 50 0 EFAARO CC(C)C(=O)N1CCC([N@H+](C)Cc2nc3ccccc3n2C)CC1 ZINC000067648896 215173687 /nfs/dbraw/zinc/17/36/87/215173687.db2.gz CLERUGBMHWIYDC-UHFFFAOYSA-N 1 0 328.460 2.652 50 0 EFAARO CC[C@H]([NH2+]CCc1[nH]nc2c1CCCC2)C(=O)Nc1ccccc1 ZINC000067673828 215179472 /nfs/dbraw/zinc/17/94/72/215179472.db2.gz QSXMONUNMBUVIG-INIZCTEOSA-N 1 0 326.444 2.838 50 0 EFAARO COc1ccc(F)c(-c2nc(CN3C[C@@H](C)[NH2+]C[C@@H]3C)c(C)o2)c1 ZINC000067674189 215179765 /nfs/dbraw/zinc/17/97/65/215179765.db2.gz RDHWKPRHGTUFQK-NEPJUHHUSA-N 1 0 333.407 2.980 50 0 EFAARO c1ccc(-c2nc3c(c(NCc4[nH]nc5c4CCC5)n2)CC[NH2+]C3)cc1 ZINC000067674830 215180719 /nfs/dbraw/zinc/18/07/19/215180719.db2.gz FGHTTXJYOLAHOG-UHFFFAOYSA-N 1 0 346.438 2.613 50 0 EFAARO Cc1c2ccccc2oc1C[N@@H+]1CC[C@H](CNC(=O)c2cnco2)C1 ZINC000067675814 215180815 /nfs/dbraw/zinc/18/08/15/215180815.db2.gz WVCYXMGAJYMOIY-CQSZACIVSA-N 1 0 339.395 2.981 50 0 EFAARO C[NH+]1CCC2(CC1)CCCN(C(=O)c1n[nH]c3ccccc31)CC2 ZINC000067674931 215180986 /nfs/dbraw/zinc/18/09/86/215180986.db2.gz KOQHUWZDXBINMT-UHFFFAOYSA-N 1 0 326.444 2.901 50 0 EFAARO CCCC(=O)c1cn(CC(=O)N[C@@H]2CC[C@@H]([NH3+])C2)c2ccccc12 ZINC000067675238 215181953 /nfs/dbraw/zinc/18/19/53/215181953.db2.gz QOGVYSLLDRPVFJ-ZIAGYGMSSA-N 1 0 327.428 2.620 50 0 EFAARO O=C(NCc1ccccc1)NC[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000067688786 215184490 /nfs/dbraw/zinc/18/44/90/215184490.db2.gz GSRNLNRPRUKITB-GOSISDBHSA-N 1 0 338.455 2.793 50 0 EFAARO COc1cc(Oc2ncccc2C(N)=O)ccc1C[NH+]1CCCC1 ZINC000067654329 215175363 /nfs/dbraw/zinc/17/53/63/215175363.db2.gz PKDSBFIPOGIWIJ-UHFFFAOYSA-N 1 0 327.384 2.577 50 0 EFAARO CCC(C)(CC)[NH2+]C[C@]1(O)CCCN(Cc2cccc(OC)c2)C1=O ZINC000067696768 215189115 /nfs/dbraw/zinc/18/91/15/215189115.db2.gz VLFHTQMAUFEFHV-HXUWFJFHSA-N 1 0 348.487 2.717 50 0 EFAARO COc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c1 ZINC000067713647 215192704 /nfs/dbraw/zinc/19/27/04/215192704.db2.gz PBLHKCJWSVHFNV-HNNXBMFYSA-N 1 0 347.459 2.708 50 0 EFAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3([NH3+])CCCC3)C2)cc1C ZINC000067726109 215196653 /nfs/dbraw/zinc/19/66/53/215196653.db2.gz DCZSVLPEUVSDEA-SFHVURJKSA-N 1 0 329.488 2.513 50 0 EFAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccn2)C1)c1nc2ccccc2[nH]1 ZINC000067740550 215198506 /nfs/dbraw/zinc/19/85/06/215198506.db2.gz ICLWHCDVFUIMLU-HNNXBMFYSA-N 1 0 349.438 2.600 50 0 EFAARO Cc1oc(C(C)C)cc1C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067742980 215200716 /nfs/dbraw/zinc/20/07/16/215200716.db2.gz RWFHTNJLQSKTNR-UHFFFAOYSA-N 1 0 333.476 2.563 50 0 EFAARO COc1cccc(C[N@@H+]2CC[C@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000067755953 215205374 /nfs/dbraw/zinc/20/53/74/215205374.db2.gz JVDKYHPBIZFUDJ-CYBMUJFWSA-N 1 0 330.350 2.586 50 0 EFAARO CNc1ccc(C(=O)NC[C@H]2CC[N@H+](CCC(F)(F)F)C2)cc1 ZINC000067783668 215210286 /nfs/dbraw/zinc/21/02/86/215210286.db2.gz MWORUYZEJLEOKC-GFCCVEGCSA-N 1 0 329.366 2.732 50 0 EFAARO Nc1cccc(C(=O)NCC[C@H]2CCC[N@H+](Cc3ccco3)C2)c1 ZINC000067817081 215219468 /nfs/dbraw/zinc/21/94/68/215219468.db2.gz KFWPLVLRRZXNIR-OAHLLOKOSA-N 1 0 327.428 2.894 50 0 EFAARO Cc1noc(C)c1C[NH2+][C@H](C)COc1ccc2ccc(=O)oc2c1 ZINC000067822088 215223180 /nfs/dbraw/zinc/22/31/80/215223180.db2.gz MDEJNEDRAFUPFB-LLVKDONJSA-N 1 0 328.368 2.955 50 0 EFAARO COc1ccc2[nH]c(C[NH+]3CCC(CNC(C)=O)CC3)c(C)c2c1 ZINC000067840084 215225842 /nfs/dbraw/zinc/22/58/42/215225842.db2.gz HJDWOQIVDNUVQF-UHFFFAOYSA-N 1 0 329.444 2.833 50 0 EFAARO Cn1ccnc1-c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000067842566 215227392 /nfs/dbraw/zinc/22/73/92/215227392.db2.gz KQFSKFNIWAHPLR-MRXNPFEDSA-N 1 0 334.427 2.564 50 0 EFAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3C)oc2C)C1 ZINC000067847319 215228291 /nfs/dbraw/zinc/22/82/91/215228291.db2.gz MJXXQHYGCOIVHO-OAHLLOKOSA-N 1 0 327.428 2.916 50 0 EFAARO CC(=O)Nc1ccc(-c2nc(CC3CC[NH+](C)CC3)no2)c(C)c1 ZINC000067850604 215229360 /nfs/dbraw/zinc/22/93/60/215229360.db2.gz MIJNSTDMUQRELW-UHFFFAOYSA-N 1 0 328.416 2.888 50 0 EFAARO COc1ccc2[nH]c(=O)c(C[N@H+](C)Cc3cnc4ccccn34)cc2c1 ZINC000067881129 215238837 /nfs/dbraw/zinc/23/88/37/215238837.db2.gz CPPASQUMGTUNBQ-UHFFFAOYSA-N 1 0 348.406 2.816 50 0 EFAARO CC(C)C[NH2+]C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067878955 215239376 /nfs/dbraw/zinc/23/93/76/215239376.db2.gz OPWQTWYWNSNUGK-FQEVSTJZSA-N 1 0 332.488 2.909 50 0 EFAARO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2ccc(OC)c(C)c2C)CC1 ZINC000067881707 215241033 /nfs/dbraw/zinc/24/10/33/215241033.db2.gz CCZJVYOCHMWTGD-UHFFFAOYSA-N 1 0 344.459 2.596 50 0 EFAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)CCC[NH3+])CCO3)s1 ZINC000067908687 215247225 /nfs/dbraw/zinc/24/72/25/215247225.db2.gz MXGUPRKXQZPGKG-UHFFFAOYSA-N 1 0 346.452 2.889 50 0 EFAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 ZINC000067910038 215248570 /nfs/dbraw/zinc/24/85/70/215248570.db2.gz URGQBRWSZYJJTC-HNNXBMFYSA-N 1 0 330.476 2.881 50 0 EFAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(F)c(F)c2F)C1 ZINC000067921295 215251488 /nfs/dbraw/zinc/25/14/88/215251488.db2.gz IEJSPHQZRHBZBN-GFCCVEGCSA-N 1 0 328.378 2.741 50 0 EFAARO COCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1c(C)cccc1C)C2 ZINC000067966177 215262664 /nfs/dbraw/zinc/26/26/64/215262664.db2.gz GYXXBRHYTPNMJA-HXUWFJFHSA-N 1 0 330.472 2.764 50 0 EFAARO Cc1cc(C[NH+]2CCCC2)cc(C)c1Oc1cncc(C(N)=O)n1 ZINC000067975034 215265735 /nfs/dbraw/zinc/26/57/35/215265735.db2.gz SZLWEBWWDXBFOE-UHFFFAOYSA-N 1 0 326.400 2.580 50 0 EFAARO CCn1c(CC2CC[NH+](C[C@@H](C)c3ccccc3)CC2)nn(C)c1=O ZINC000067982864 215266480 /nfs/dbraw/zinc/26/64/80/215266480.db2.gz DYHDNYGHUJLJIR-MRXNPFEDSA-N 1 0 342.487 2.660 50 0 EFAARO Cc1nn(-c2ccccc2)c(N)c1-c1cc2c(c(F)c1)O[C@@H](C[NH3+])C2 ZINC000067982839 215266846 /nfs/dbraw/zinc/26/68/46/215266846.db2.gz QKYBAHWYKARQGG-OAHLLOKOSA-N 1 0 338.386 2.831 50 0 EFAARO COc1ccccc1OCc1cccc(C(=O)NCCC[NH+](C)C)c1 ZINC000002750413 209902116 /nfs/dbraw/zinc/90/21/16/209902116.db2.gz AREPDEUOUYRTLZ-UHFFFAOYSA-N 1 0 342.439 2.956 50 0 EFAARO COc1ccc(CN2CC[N@@H+](C3CCCC3)C[C@H]2CCO)c(F)c1 ZINC000104524448 219392797 /nfs/dbraw/zinc/39/27/97/219392797.db2.gz LRBPAQBGPXZEQC-QGZVFWFLSA-N 1 0 336.451 2.646 50 0 EFAARO Nc1nc(=O)n(CC[NH+]2CCCCC2)c2sc3c(c21)CCCCC3 ZINC000040268592 213287321 /nfs/dbraw/zinc/28/73/21/213287321.db2.gz CAOFIHWWSHZKKB-UHFFFAOYSA-N 1 0 346.500 2.795 50 0 EFAARO CCc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)o1 ZINC000039405724 213235478 /nfs/dbraw/zinc/23/54/78/213235478.db2.gz 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/nfs/dbraw/zinc/04/09/31/213040931.db2.gz ILGXXIUFSZFWJT-UHFFFAOYSA-N 1 0 330.476 2.888 50 0 EFAARO CSc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000072117795 216012298 /nfs/dbraw/zinc/01/22/98/216012298.db2.gz AZHRAERKVAAWEB-AWEZNQCLSA-N 1 0 342.530 2.809 50 0 EFAARO COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000072129600 216020438 /nfs/dbraw/zinc/02/04/38/216020438.db2.gz QZCIAQJOFRTHKD-MRXNPFEDSA-N 1 0 346.471 2.658 50 0 EFAARO C[N@@H+]1CC[C@]2(CCN(c3cc(-c4ccccc4)nc4ccnn43)C2)C1 ZINC000072130811 216021143 /nfs/dbraw/zinc/02/11/43/216021143.db2.gz NEJVBUZQTHSGGL-FQEVSTJZSA-N 1 0 333.439 2.928 50 0 EFAARO Cc1cc2cccc(C(=O)N3CCC([N@@H+]4CCC[C@H](O)C4)CC3)c2o1 ZINC000072137245 216024606 /nfs/dbraw/zinc/02/46/06/216024606.db2.gz AGIGMHWLZUQOHS-KRWDZBQOSA-N 1 0 342.439 2.803 50 0 EFAARO Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)CC2)n1 ZINC000072137356 216025222 /nfs/dbraw/zinc/02/52/22/216025222.db2.gz YVXJNHPWBYYPSL-GOSISDBHSA-N 1 0 342.399 2.510 50 0 EFAARO CSCC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072145406 216031717 /nfs/dbraw/zinc/03/17/17/216031717.db2.gz NETIHYCUKVDUQE-BHIYHBOVSA-N 1 0 330.497 2.747 50 0 EFAARO CC(C)c1cc(N2CC[NH+](C3CCSCC3)CC2)n2nccc2n1 ZINC000072147083 216033469 /nfs/dbraw/zinc/03/34/69/216033469.db2.gz DNNPKMCWJBCJGR-UHFFFAOYSA-N 1 0 345.516 2.870 50 0 EFAARO c1ccc(COCC[N@@H+]2CCCC[C@H]2CCN2CCOCC2)cc1 ZINC000072147147 216034336 /nfs/dbraw/zinc/03/43/36/216034336.db2.gz RVYRXBPRRKUPTN-FQEVSTJZSA-N 1 0 332.488 2.780 50 0 EFAARO CC(C)[C@H]1CN(C(=O)C2(Cn3cccn3)CC2)CCC[N@@H+]1CC1CC1 ZINC000072148765 216036461 /nfs/dbraw/zinc/03/64/61/216036461.db2.gz WOLBRBIOWWOZNW-GOSISDBHSA-N 1 0 344.503 2.632 50 0 EFAARO Cc1nnnn1CCC[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000072149089 216036819 /nfs/dbraw/zinc/03/68/19/216036819.db2.gz ALTGUDYPOJIREQ-KRWDZBQOSA-N 1 0 331.439 2.856 50 0 EFAARO Cn1ncc2c1nc(C1CCCC1)nc2NCC[C@H]1CCCC[NH2+]1 ZINC000072162452 216050387 /nfs/dbraw/zinc/05/03/87/216050387.db2.gz UZFMKFGHQSWEPV-CQSZACIVSA-N 1 0 328.464 2.965 50 0 EFAARO CCn1nc(C)c(CCNC(=O)c2cccc([C@H]3CC[NH2+]C3)c2)c1C ZINC000072161709 216050451 /nfs/dbraw/zinc/05/04/51/216050451.db2.gz XFOZTULRGSVJJK-SFHVURJKSA-N 1 0 340.471 2.569 50 0 EFAARO COc1ccccc1CNc1nc(-c2cccnc2)nc2c1C[NH2+]C2 ZINC000072162170 216050492 /nfs/dbraw/zinc/05/04/92/216050492.db2.gz HSSFONVCVNGDRB-UHFFFAOYSA-N 1 0 333.395 2.763 50 0 EFAARO CC(C)c1cc(N2CCC([NH+]3CCSCC3)CC2)n2nccc2n1 ZINC000072154099 216043071 /nfs/dbraw/zinc/04/30/71/216043071.db2.gz WUTHNHMMVSLLEK-UHFFFAOYSA-N 1 0 345.516 2.870 50 0 EFAARO Fc1cc(F)cc([C@H]2CN(c3ncccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072154138 216044150 /nfs/dbraw/zinc/04/41/50/216044150.db2.gz MKYFHWKPCGDCAS-KZNAEPCWSA-N 1 0 342.393 2.821 50 0 EFAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 ZINC000072157560 216047160 /nfs/dbraw/zinc/04/71/60/216047160.db2.gz JWQZELYEQRBGQF-INIZCTEOSA-N 1 0 339.439 2.598 50 0 EFAARO CN(C[C@H]1CCCCO1)C(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072168021 216059648 /nfs/dbraw/zinc/05/96/48/216059648.db2.gz NLCVZJSPZIFOHF-LJQANCHMSA-N 1 0 330.472 2.870 50 0 EFAARO COc1cc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ncn1 ZINC000072171510 216062395 /nfs/dbraw/zinc/06/23/95/216062395.db2.gz NAGYKFUVFIDKRG-PWIZWCRZSA-N 1 0 336.439 2.552 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNc1nc(C2CCCC2)nc2c1cnn2C ZINC000072173893 216065011 /nfs/dbraw/zinc/06/50/11/216065011.db2.gz ZFZRWSVVOXKEAO-AWEZNQCLSA-N 1 0 328.464 2.917 50 0 EFAARO O=C(NCCCn1nccc1C1CC1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072168136 216058907 /nfs/dbraw/zinc/05/89/07/216058907.db2.gz CHZJVBBERIZCCO-INIZCTEOSA-N 1 0 338.455 2.658 50 0 EFAARO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072270584 216092711 /nfs/dbraw/zinc/09/27/11/216092711.db2.gz RVHOPFXMQIKDGG-DLBZAZTESA-N 1 0 329.444 2.646 50 0 EFAARO CC(C)NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270690 216093354 /nfs/dbraw/zinc/09/33/54/216093354.db2.gz GIGUIJVYXSNDDO-FUHWJXTLSA-N 1 0 326.444 2.855 50 0 EFAARO CCN(CC)C(=O)C1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000000299592 209522634 /nfs/dbraw/zinc/52/26/34/209522634.db2.gz LHJDUIWXLRLVBT-UHFFFAOYSA-N 1 0 334.460 2.784 50 0 EFAARO CCOC(=O)C1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC000000279684 209515422 /nfs/dbraw/zinc/51/54/22/209515422.db2.gz JGBCDQKSNCFLHJ-UHFFFAOYSA-N 1 0 330.472 2.926 50 0 EFAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000000176591 209466412 /nfs/dbraw/zinc/46/64/12/209466412.db2.gz QLPHPTMTNGKARV-UHFFFAOYSA-N 1 0 338.835 2.944 50 0 EFAARO CSc1ccc(C(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)cc1 ZINC000072407424 216197780 /nfs/dbraw/zinc/19/77/80/216197780.db2.gz GXBHNEXKNAHTEZ-HNNXBMFYSA-N 1 0 348.512 2.981 50 0 EFAARO CCNC(=O)c1cccc(C[C@@H]2CC[C@H](C[NH+]3CCSCC3)O2)c1 ZINC000072408311 216199795 /nfs/dbraw/zinc/19/97/95/216199795.db2.gz PWOHLKUJRUAZMF-ZWKOTPCHSA-N 1 0 348.512 2.575 50 0 EFAARO C[C@@H]1C[N@H+](C2CCN(C(=O)CCc3ccsc3)CC2)C[C@H](C)O1 ZINC000072411619 216204281 /nfs/dbraw/zinc/20/42/81/216204281.db2.gz YYXHEPGALZTLOY-GASCZTMLSA-N 1 0 336.501 2.781 50 0 EFAARO CCOc1cc(C)c(S(=O)(=O)NCCC[NH+](CC)CC)cc1C ZINC000072414643 216205149 /nfs/dbraw/zinc/20/51/49/216205149.db2.gz CUPNYULOKWXJDQ-UHFFFAOYSA-N 1 0 342.505 2.712 50 0 EFAARO Cn1ncc2c1nc(C1CCCC1)nc2N[C@H]1C[NH+]2CCC1CC2 ZINC000072418908 216207478 /nfs/dbraw/zinc/20/74/78/216207478.db2.gz DWJXMKRUKGAMEE-HNNXBMFYSA-N 1 0 326.448 2.527 50 0 EFAARO CCOCc1nc2c(c(N[C@@H](CC)c3ccncc3)n1)CC[NH2+]CC2 ZINC000072424507 216214293 /nfs/dbraw/zinc/21/42/93/216214293.db2.gz VCLRDZDAUPOTMG-INIZCTEOSA-N 1 0 341.459 2.660 50 0 EFAARO Cc1cc2nc(C(C)C)cc(NCC[C@@H](C)[NH+]3CCN(C)CC3)n2n1 ZINC000072431252 216223007 /nfs/dbraw/zinc/22/30/07/216223007.db2.gz YHQPEMOITRWBBI-MRXNPFEDSA-N 1 0 344.507 2.599 50 0 EFAARO COCCCN(C(=O)C1(c2ccc(C)cc2)CC1)C1CC[NH+](C)CC1 ZINC000072427175 216218169 /nfs/dbraw/zinc/21/81/69/216218169.db2.gz MXQJFQJAIITIMY-UHFFFAOYSA-N 1 0 344.499 2.986 50 0 EFAARO C[NH+](C)CC[C@@H]1CCCCN1Cc1cnc(-c2ccccn2)nc1 ZINC000072434447 216228882 /nfs/dbraw/zinc/22/88/82/216228882.db2.gz ZWLGBUXEOOKWCQ-KRWDZBQOSA-N 1 0 325.460 2.845 50 0 EFAARO Cc1nc2c(c(N[C@@H](Cn3ccnc3)c3ccccc3)n1)CC[NH2+]CC2 ZINC000072448564 216238472 /nfs/dbraw/zinc/23/84/72/216238472.db2.gz LOGCCIXAGNYZHQ-IBGZPJMESA-N 1 0 348.454 2.523 50 0 EFAARO CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](C1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000072440547 216235217 /nfs/dbraw/zinc/23/52/17/216235217.db2.gz CZCBIKRWCJMDRS-KBXCAEBGSA-N 1 0 347.890 2.861 50 0 EFAARO CCNc1nc(NCCNC(=O)Nc2ccc(C)cc2)cc(C)[nH+]1 ZINC000072442146 216235639 /nfs/dbraw/zinc/23/56/39/216235639.db2.gz WSBDJADMDLNAEC-UHFFFAOYSA-N 1 0 328.420 2.759 50 0 EFAARO Cn1c(CNc2nc(C3CC3)nc3c2CC[NH2+]CC3)nc2ccccc21 ZINC000072447956 216237072 /nfs/dbraw/zinc/23/70/72/216237072.db2.gz OWONBCCOCNOZAX-UHFFFAOYSA-N 1 0 348.454 2.541 50 0 EFAARO Cn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072447171 216237807 /nfs/dbraw/zinc/23/78/07/216237807.db2.gz VMEYCPOKCOBGNA-SFHVURJKSA-N 1 0 342.487 2.898 50 0 EFAARO CN(C)Cc1nnc([C@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)n1C ZINC000072453950 216241173 /nfs/dbraw/zinc/24/11/73/216241173.db2.gz KJJJNUYYVFQPJZ-DBEXCURXSA-N 1 0 339.487 2.770 50 0 EFAARO COCCCN(C(=O)Cc1cc(C)ccc1C)C1CC[NH+](C)CC1 ZINC000072463481 216245348 /nfs/dbraw/zinc/24/53/48/216245348.db2.gz QFCGWRDZINUUCH-UHFFFAOYSA-N 1 0 332.488 2.805 50 0 EFAARO c1cc(CNc2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)cs1 ZINC000072463274 216245957 /nfs/dbraw/zinc/24/59/57/216245957.db2.gz BJLSUWCQWLUJRO-UHFFFAOYSA-N 1 0 337.452 2.900 50 0 EFAARO COCCC[N@H+](Cc1ccc2nsnc2c1)C1CCN(C)CC1 ZINC000072463634 216246889 /nfs/dbraw/zinc/24/68/89/216246889.db2.gz QPFUVSYXPMRWCM-UHFFFAOYSA-N 1 0 334.489 2.624 50 0 EFAARO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)C[C@H](C)O1 ZINC000072476630 216254882 /nfs/dbraw/zinc/25/48/82/216254882.db2.gz NPIYABCDVWCWAC-GASCZTMLSA-N 1 0 341.455 2.882 50 0 EFAARO CCOc1cc2c(cc1C[N@@H+]1CC[C@]3(CN(C)C(=O)O3)C1)CCC2 ZINC000072474134 216251765 /nfs/dbraw/zinc/25/17/65/216251765.db2.gz JJNYLTMDVDWCOE-IBGZPJMESA-N 1 0 330.428 2.601 50 0 EFAARO Cc1nccn1-c1ccc(CNc2nc(C)nc3c2CC[NH2+]CC3)cc1 ZINC000072479178 216259277 /nfs/dbraw/zinc/25/92/77/216259277.db2.gz BXSSNDVWLJBOSO-UHFFFAOYSA-N 1 0 348.454 2.579 50 0 EFAARO Cc1ncc2c(c1CNC(=O)c1ccccc1C(F)(F)F)CC[NH2+]C2 ZINC000072480554 216259766 /nfs/dbraw/zinc/25/97/66/216259766.db2.gz LPMNSAFCGMQELW-UHFFFAOYSA-N 1 0 349.356 2.985 50 0 EFAARO C[C@@H](NC(=O)CCC[NH+]1CCCC1)c1ccccc1-n1cccn1 ZINC000219296591 296044480 /nfs/dbraw/zinc/04/44/80/296044480.db2.gz XRODVPVAFHNWES-MRXNPFEDSA-N 1 0 326.444 2.926 50 0 EFAARO Cn1cc(C[NH+]2CCC(Cn3cc(-c4ccsc4)nn3)CC2)cn1 ZINC000023379797 212373156 /nfs/dbraw/zinc/37/31/56/212373156.db2.gz YPIILOFDWPOHDR-UHFFFAOYSA-N 1 0 342.472 2.652 50 0 EFAARO Cc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)o1 ZINC000023373965 212372522 /nfs/dbraw/zinc/37/25/22/212372522.db2.gz PQIHEQCZLCNILZ-IBGZPJMESA-N 1 0 328.456 2.965 50 0 EFAARO OCC[C@H]1C[N@H+](CCc2ccccc2)CCN1Cc1ccsc1 ZINC000023373851 212371784 /nfs/dbraw/zinc/37/17/84/212371784.db2.gz KZSRMSRSQOXREH-IBGZPJMESA-N 1 0 330.497 2.859 50 0 EFAARO OCC[C@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1cccs1 ZINC000023373265 212373114 /nfs/dbraw/zinc/37/31/14/212373114.db2.gz UHIOHLDLNBSLEG-KRWDZBQOSA-N 1 0 334.460 2.956 50 0 EFAARO CN(C)CC[NH2+]Cc1ccc(OCc2ccc3c(c2)OCCO3)cc1 ZINC000023114582 212349120 /nfs/dbraw/zinc/34/91/20/212349120.db2.gz QAQBFRKSLHZXQS-UHFFFAOYSA-N 1 0 342.439 2.688 50 0 EFAARO COc1ccc(C[NH2+][C@H]2COc3ccccc3C2)c(OC)c1OC ZINC000023128627 212352520 /nfs/dbraw/zinc/35/25/20/212352520.db2.gz QMHDPZULXRRLOS-OAHLLOKOSA-N 1 0 329.396 2.806 50 0 EFAARO CC(C)Cc1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)[nH]n1 ZINC000023129363 212352462 /nfs/dbraw/zinc/35/24/62/212352462.db2.gz XDDDLPYBTYBZTA-FQEVSTJZSA-N 1 0 348.535 2.810 50 0 EFAARO Cc1oc(-c2cccs2)nc1CN1CC[N@@H+](C(C)C)[C@@H](CCO)C1 ZINC000022916415 212335063 /nfs/dbraw/zinc/33/50/63/212335063.db2.gz QBBHDVZDZZJPPU-HNNXBMFYSA-N 1 0 349.500 2.989 50 0 EFAARO COc1cc(OC)cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000022687737 212317986 /nfs/dbraw/zinc/31/79/86/212317986.db2.gz DVASHWAMUHPNAN-HNNXBMFYSA-N 1 0 334.441 2.798 50 0 EFAARO COc1cc(OC)cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000022687733 212317201 /nfs/dbraw/zinc/31/72/01/212317201.db2.gz DVASHWAMUHPNAN-OAHLLOKOSA-N 1 0 334.441 2.798 50 0 EFAARO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000022462465 212299585 /nfs/dbraw/zinc/29/95/85/212299585.db2.gz WZPGYGWJUHCARQ-GOSISDBHSA-N 1 0 345.487 2.814 50 0 EFAARO c1ccc(C[NH+]2CCN(CCOCCOc3ccccc3)CC2)cc1 ZINC000022310034 212288545 /nfs/dbraw/zinc/28/85/45/212288545.db2.gz SRYRBOHMCIQLRE-UHFFFAOYSA-N 1 0 340.467 2.900 50 0 EFAARO COc1ccc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)cn1 ZINC000215248138 241113890 /nfs/dbraw/zinc/11/38/90/241113890.db2.gz UIOLQFCPKKSJEN-UHFFFAOYSA-N 1 0 337.467 2.765 50 0 EFAARO O=C(CCOc1ccccc1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000215278090 241116810 /nfs/dbraw/zinc/11/68/10/241116810.db2.gz YSNTXCAKKJLITO-IBGZPJMESA-N 1 0 346.471 2.559 50 0 EFAARO C[N@H+](CC[C@@H](O)c1ccccc1)Cc1cnc(N2CCOCC2)s1 ZINC000215813579 241146774 /nfs/dbraw/zinc/14/67/74/241146774.db2.gz SNOTTXSGMYIFFM-QGZVFWFLSA-N 1 0 347.484 2.535 50 0 EFAARO CN1C[C@@]2(CCC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C2)OC1=O ZINC000215788013 241147853 /nfs/dbraw/zinc/14/78/53/241147853.db2.gz KWHJFSAHARWTFO-GOSISDBHSA-N 1 0 344.390 2.632 50 0 EFAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3cnc(-c4ccccn4)nc3)C2)n1 ZINC000215878646 241154653 /nfs/dbraw/zinc/15/46/53/241154653.db2.gz IQTNPILELMPKMT-KRWDZBQOSA-N 1 0 334.427 2.799 50 0 EFAARO CN(C)c1ccc(C[NH+]2CCC(OCc3ccccn3)CC2)cn1 ZINC000216076294 241162926 /nfs/dbraw/zinc/16/29/26/241162926.db2.gz KSXSYOZSXWLFNO-UHFFFAOYSA-N 1 0 326.444 2.724 50 0 EFAARO O=C(C[C@H]1C[NH2+]CCO1)NCCc1ccccc1Oc1ccccc1 ZINC000216141413 241167990 /nfs/dbraw/zinc/16/79/90/241167990.db2.gz BWFGUNMGAILXIY-SFHVURJKSA-N 1 0 340.423 2.516 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ccncn3)C1)OCCO2 ZINC000216141143 241168924 /nfs/dbraw/zinc/16/89/24/241168924.db2.gz IQVGJRQRPDZDCI-AWEZNQCLSA-N 1 0 341.411 2.636 50 0 EFAARO COCC(=O)N1CCC[N@H+](Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000216232686 241175663 /nfs/dbraw/zinc/17/56/63/241175663.db2.gz FQMXTLSBYUINFT-UHFFFAOYSA-N 1 0 346.471 2.689 50 0 EFAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)[C@H](O)c1ccccc1F ZINC000216316324 241183586 /nfs/dbraw/zinc/18/35/86/241183586.db2.gz MZIAKVMBDOWDKQ-QGZVFWFLSA-N 1 0 334.435 2.774 50 0 EFAARO COc1ccc(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)cn1 ZINC000216408732 241188732 /nfs/dbraw/zinc/18/87/32/241188732.db2.gz ZVVQHWXXATUIRI-IBGZPJMESA-N 1 0 326.440 2.906 50 0 EFAARO OCCC[N@H+](Cc1ccncc1)Cc1cc(F)ccc1-n1cccn1 ZINC000216542508 241201992 /nfs/dbraw/zinc/20/19/92/241201992.db2.gz QKEQOZLWAZSTMA-UHFFFAOYSA-N 1 0 340.402 2.791 50 0 EFAARO O=C(Cc1ccsc1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000215414725 241126151 /nfs/dbraw/zinc/12/61/51/241126151.db2.gz KUPIIFKNYZMDDJ-IBGZPJMESA-N 1 0 340.492 2.992 50 0 EFAARO Cc1cc(C)n2ncc(CN(C)C[C@H]3Cc4ccccc4C[N@@H+]3C)c2n1 ZINC000215455022 241126726 /nfs/dbraw/zinc/12/67/26/241126726.db2.gz UNWBQNPXQGYNEG-HXUWFJFHSA-N 1 0 349.482 2.835 50 0 EFAARO COc1cccc(CN2CCC[N@H+](Cc3ccncc3)CC2)c1OC ZINC000215604295 241135230 /nfs/dbraw/zinc/13/52/30/241135230.db2.gz NZAOGQITXWQYTG-UHFFFAOYSA-N 1 0 341.455 2.807 50 0 EFAARO Cc1cc(C)c(C[N@@H+]2CCC[C@](C)(C(N)=O)C2)c(-n2cccn2)c1 ZINC000215649783 241138299 /nfs/dbraw/zinc/13/82/99/241138299.db2.gz MLSBSNKBWHPWOS-IBGZPJMESA-N 1 0 326.444 2.577 50 0 EFAARO CC(C)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000022053590 212274443 /nfs/dbraw/zinc/27/44/43/212274443.db2.gz NVEPLQDORJSXRO-DLBZAZTESA-N 1 0 336.476 2.729 50 0 in-vitro EFAARO COc1ccc(CCO[C@@H]2CCCC[C@H]2[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000022010910 212270207 /nfs/dbraw/zinc/27/02/07/212270207.db2.gz VBHQKCBVWWUUKN-KZNAEPCWSA-N 1 0 349.471 2.641 50 0 world EFAARO Cc1noc(C)c1C(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000218955346 241353808 /nfs/dbraw/zinc/35/38/08/241353808.db2.gz ATKVONUAMZGEEX-UHFFFAOYSA-N 1 0 339.439 2.607 50 0 EFAARO CC[C@H](Cn1ccnc1)NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000219304699 241378019 /nfs/dbraw/zinc/37/80/19/241378019.db2.gz BJFUKBOXEDRZIO-LJQANCHMSA-N 1 0 340.471 2.658 50 0 EFAARO C[C@@H]1OCC[C@]1(O)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000228053033 242137396 /nfs/dbraw/zinc/13/73/96/242137396.db2.gz FQLGNPFXDKBPJA-WIRQWFGLSA-N 1 0 340.261 2.825 50 0 EFAARO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@@H](c2ccnn2C)C1 ZINC000229219346 242149938 /nfs/dbraw/zinc/14/99/38/242149938.db2.gz CKGGRCNZBQYYBP-CHWSQXEVSA-N 1 0 347.850 2.675 50 0 EFAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1n[nH]c2c1CCCCC2 ZINC000230154206 242240560 /nfs/dbraw/zinc/24/05/60/242240560.db2.gz QMNFNYXKEAWXNL-PBHICJAKSA-N 1 0 330.476 2.673 50 0 EFAARO CC(C)NC(=O)c1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000236700670 242324825 /nfs/dbraw/zinc/32/48/25/242324825.db2.gz 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ZINC000244633136 243047010 /nfs/dbraw/zinc/04/70/10/243047010.db2.gz FXJBEHQZYDUZAH-OKILXGFUSA-N 1 0 343.862 2.661 50 0 EFAARO Cc1nn(C(C)C)c(C)c1CN(C)c1cc([C@H]2C[C@H]([NH3+])C2)ncn1 ZINC000244691019 243058430 /nfs/dbraw/zinc/05/84/30/243058430.db2.gz JBBPDIUANRIXRV-SHTZXODSSA-N 1 0 328.464 2.712 50 0 EFAARO Cn1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CCc2cccc(O)c2)n1 ZINC000244748785 243076847 /nfs/dbraw/zinc/07/68/47/243076847.db2.gz OOGOLNZGLSCONS-INIZCTEOSA-N 1 0 342.443 2.552 50 0 EFAARO COc1c[nH]c(C[N@@H+]2CCC[C@@H](c3nc(CC(C)C)no3)C2)cc1=O ZINC000244773953 243079120 /nfs/dbraw/zinc/07/91/20/243079120.db2.gz PJIXTUFMBLIWDT-CYBMUJFWSA-N 1 0 346.431 2.757 50 0 EFAARO COCc1nc(NCCc2sccc2C)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244787831 243081654 /nfs/dbraw/zinc/08/16/54/243081654.db2.gz QELQKNWCCKEFPP-JOCQHMNTSA-N 1 0 332.473 2.852 50 0 EFAARO COc1ccc(C)cc1NC(=O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000244794811 243082651 /nfs/dbraw/zinc/08/26/51/243082651.db2.gz QUAJOXYRXDUHPG-JXFKEZNVSA-N 1 0 346.471 2.959 50 0 EFAARO O=C(C[NH+]1CCCCCCC1)NC[C@H]1CCCN(c2ccccn2)C1 ZINC000244811770 243085573 /nfs/dbraw/zinc/08/55/73/243085573.db2.gz SKVHYGOOMSMQSM-GOSISDBHSA-N 1 0 344.503 2.680 50 0 EFAARO Cc1n[nH]c(C)c1CN(C)c1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244831568 243087553 /nfs/dbraw/zinc/08/75/53/243087553.db2.gz UGGAPZDHFJLNAV-HDJSIYSDSA-N 1 0 326.448 2.535 50 0 EFAARO Cc1nc(CC[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cs1 ZINC000244873251 243091697 /nfs/dbraw/zinc/09/16/97/243091697.db2.gz WMQGFRVOBRHPLY-UHFFFAOYSA-N 1 0 339.468 2.811 50 0 EFAARO c1cn(CCOc2ccccc2C[NH+]2CC(c3ccccn3)C2)cn1 ZINC000244874526 243095733 /nfs/dbraw/zinc/09/57/33/243095733.db2.gz XCWMTKRSRLIWOT-UHFFFAOYSA-N 1 0 334.423 2.957 50 0 EFAARO CSc1ccc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1 ZINC000020773995 212170220 /nfs/dbraw/zinc/17/02/20/212170220.db2.gz ZWWWZBQYYFRTGK-INIZCTEOSA-N 1 0 344.484 2.910 50 0 EFAARO CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)[C@H]1CCOC(C)(C)C1 ZINC000244723612 243070716 /nfs/dbraw/zinc/07/07/16/243070716.db2.gz MELBWSSTLQJURE-ZDUSSCGKSA-N 1 0 325.840 2.953 50 0 EFAARO CN(CCC[NH+](C)C)[C@@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000020682584 212161490 /nfs/dbraw/zinc/16/14/90/212161490.db2.gz QCZWIAGMXCMYCG-QGZVFWFLSA-N 1 0 349.544 2.653 50 0 EFAARO Cc1nn2cc(CNC(=O)c3ccc([C@H]4CCC[NH2+]4)s3)nc2s1 ZINC000020601364 212150661 /nfs/dbraw/zinc/15/06/61/212150661.db2.gz FFQKVSNOVUVZPD-LLVKDONJSA-N 1 0 347.469 2.515 50 0 EFAARO CC1(C)C[C@](CC[NH2+]CCN2CCOCC2)(c2ccccc2)CCO1 ZINC000020590890 212149840 /nfs/dbraw/zinc/14/98/40/212149840.db2.gz OGERAVIXLJTYGW-OAQYLSRUSA-N 1 0 346.515 2.825 50 0 EFAARO OCC[C@H]1CN(C/C=C/c2ccco2)CC[N@@H+]1Cc1cccs1 ZINC000020540342 212145971 /nfs/dbraw/zinc/14/59/71/212145971.db2.gz CFZOFJZRXYLJJL-SIEGMDDESA-N 1 0 332.469 2.923 50 0 EFAARO Clc1c(OCC[NH2+]CCN2CCOCC2)ccc2ccccc21 ZINC000020482193 212136412 /nfs/dbraw/zinc/13/64/12/212136412.db2.gz VAKUZHSRSJAEKG-UHFFFAOYSA-N 1 0 334.847 2.794 50 0 EFAARO CC[NH+]1CCN(CCOc2ccc(C)cc2Br)CC1 ZINC000020406405 212125279 /nfs/dbraw/zinc/12/52/79/212125279.db2.gz IQOWIXKJSJJKBD-UHFFFAOYSA-N 1 0 327.266 2.774 50 0 EFAARO Cc1cc(Br)ccc1OCCCCN1CC[NH2+]CC1 ZINC000020272657 212115629 /nfs/dbraw/zinc/11/56/29/212115629.db2.gz ZGCNAGPRRFPGLO-UHFFFAOYSA-N 1 0 327.266 2.822 50 0 EFAARO C[C@@H](CN1CC[NH+](C)CC1)OC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000020266652 212115675 /nfs/dbraw/zinc/11/56/75/212115675.db2.gz CYCJMQNRQUSPAW-INIZCTEOSA-N 1 0 348.487 2.542 50 0 EFAARO OCC[C@@H]1CN(Cc2ccncc2)CC[N@@H+]1CCCc1ccccc1 ZINC000020271513 212115296 /nfs/dbraw/zinc/11/52/96/212115296.db2.gz LLESEOSJQAJNMM-OAQYLSRUSA-N 1 0 339.483 2.583 50 0 EFAARO CC(C)OC[C@@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019938639 212087401 /nfs/dbraw/zinc/08/74/01/212087401.db2.gz UIQBPHNUADVYKC-INIZCTEOSA-N 1 0 346.393 2.613 50 0 EFAARO Cc1ccc(-c2nnc(N3CC[NH+](CCO)CC3)c3ccccc32)cc1 ZINC000019902740 212081540 /nfs/dbraw/zinc/08/15/40/212081540.db2.gz CIAJDRUSUMYAMN-UHFFFAOYSA-N 1 0 348.450 2.720 50 0 EFAARO c1ccc(COc2ccc(C[NH2+]CCN3CCOCC3)cc2)cc1 ZINC000019872120 212077895 /nfs/dbraw/zinc/07/78/95/212077895.db2.gz WIYUFQKIOHGBKG-UHFFFAOYSA-N 1 0 326.440 2.687 50 0 EFAARO COc1ccc(OCC(=O)N2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000019841976 212074980 /nfs/dbraw/zinc/07/49/80/212074980.db2.gz SKUSXVFPLNSWDB-LPHOPBHVSA-N 1 0 346.471 2.797 50 0 EFAARO CCOc1cccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c1 ZINC000019840865 212074392 /nfs/dbraw/zinc/07/43/92/212074392.db2.gz CLJFVVIZCSBXGI-IBGZPJMESA-N 1 0 332.488 2.897 50 0 EFAARO Cc1noc(C)c1C[NH+]1CCC(n2cc(-c3ccccn3)nn2)CC1 ZINC000019812839 212070803 /nfs/dbraw/zinc/07/08/03/212070803.db2.gz LYCQOESWZMZREZ-UHFFFAOYSA-N 1 0 338.415 2.782 50 0 EFAARO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000019790833 212067613 /nfs/dbraw/zinc/06/76/13/212067613.db2.gz BJQSCPITXWCKMW-HXUWFJFHSA-N 1 0 340.467 2.865 50 0 EFAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000019790660 212067619 /nfs/dbraw/zinc/06/76/19/212067619.db2.gz MMCWTYMIIVLCRU-FQEVSTJZSA-N 1 0 340.467 2.865 50 0 EFAARO CC(=O)N1CCC(N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)CC1 ZINC000019744513 212060362 /nfs/dbraw/zinc/06/03/62/212060362.db2.gz ZPWVZLJTBJUCCN-NRFANRHFSA-N 1 0 343.515 2.636 50 0 EFAARO COCc1cn(C2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)nn1 ZINC000019739532 212060142 /nfs/dbraw/zinc/06/01/42/212060142.db2.gz JUHYHXUMAWWYEL-IBGZPJMESA-N 1 0 326.444 2.619 50 0 EFAARO Cc1ccc(C)c(C[NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(C(C)C)C2)c1 ZINC000019741616 212059967 /nfs/dbraw/zinc/05/99/67/212059967.db2.gz YSXHAWYPMCRVPM-MOPGFXCFSA-N 1 0 331.504 2.769 50 0 EFAARO OCC[C@@H]1C[N@@H+](C2CCSCC2)CCN1Cc1ccc(F)cc1 ZINC000019720636 212058251 /nfs/dbraw/zinc/05/82/51/212058251.db2.gz HTDXJHQMXHLLLF-GOSISDBHSA-N 1 0 338.492 2.590 50 0 EFAARO COc1cccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2ccccn2)c1 ZINC000019535855 212040118 /nfs/dbraw/zinc/04/01/18/212040118.db2.gz LEUSKILITWEBSR-SFHVURJKSA-N 1 0 339.439 2.761 50 0 EFAARO OCC[C@@H]1CN(Cc2cccc(O)c2)CC[N@@H+]1Cc1cccs1 ZINC000019535592 212039276 /nfs/dbraw/zinc/03/92/76/212039276.db2.gz UQDXFNAOYIBGLL-MRXNPFEDSA-N 1 0 332.469 2.523 50 0 EFAARO Cc1cccc(OC[C@H](O)CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000019363230 212021401 /nfs/dbraw/zinc/02/14/01/212021401.db2.gz YFBXZTFBHRQDBA-LJQANCHMSA-N 1 0 332.488 2.685 50 0 EFAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1cnn(-c3ccccc3)c1)C2 ZINC000019225850 212007196 /nfs/dbraw/zinc/00/71/96/212007196.db2.gz IRAKVNUBHAJDDW-KRWDZBQOSA-N 1 0 335.407 2.974 50 0 EFAARO COc1ccc(C[C@H]2C[N@H+](CCCn3nc(C)cc3C)CCO2)cc1 ZINC000019224671 212006674 /nfs/dbraw/zinc/00/66/74/212006674.db2.gz CJBHLPYRVVJLLK-FQEVSTJZSA-N 1 0 343.471 2.842 50 0 EFAARO CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1ccc(C)o1)C2 ZINC000019145371 212002107 /nfs/dbraw/zinc/00/21/07/212002107.db2.gz ODQNCNHJMBNQNU-CQSZACIVSA-N 1 0 344.459 2.543 50 0 EFAARO C[NH+](C)CCCNc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000016913588 211941432 /nfs/dbraw/zinc/94/14/32/211941432.db2.gz LMGLXBQFWNMTLD-UHFFFAOYSA-N 1 0 330.823 2.833 50 0 EFAARO Cc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccccc1Cl ZINC000015746055 211848713 /nfs/dbraw/zinc/84/87/13/211848713.db2.gz FQQHNLGXEWTEMI-AWEZNQCLSA-N 1 0 331.823 2.868 50 0 EFAARO CC[NH+]1CCC(Oc2cc(OC)ccc2C(=O)N2CCCC2)CC1 ZINC000015065720 211795014 /nfs/dbraw/zinc/79/50/14/211795014.db2.gz YIFZOHZWXTUBPN-UHFFFAOYSA-N 1 0 332.444 2.794 50 0 EFAARO Cc1scnc1CSc1nnc(C[NH3+])n1Cc1ccccc1 ZINC000426386503 247272874 /nfs/dbraw/zinc/27/28/74/247272874.db2.gz YIJLQWLUYLEGAA-UHFFFAOYSA-N 1 0 331.470 2.842 50 0 EFAARO O=C(NCC[NH+]1CCCC1)N1CCCC[C@H]1CCc1ccccn1 ZINC000426389257 247273696 /nfs/dbraw/zinc/27/36/96/247273696.db2.gz LPFCJLYHFVSOOI-SFHVURJKSA-N 1 0 330.476 2.674 50 0 EFAARO O=C(CSCC[NH+]1CCCC1)NCc1ccnc2ccccc12 ZINC000426404421 247277960 /nfs/dbraw/zinc/27/79/60/247277960.db2.gz XQUOAUMYABQTRH-UHFFFAOYSA-N 1 0 329.469 2.680 50 0 EFAARO O=C(NCC1CC[NH2+]CC1)N[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000426433946 247279194 /nfs/dbraw/zinc/27/91/94/247279194.db2.gz DEQIAWCIUGJLPM-GOSISDBHSA-N 1 0 342.418 2.609 50 0 EFAARO O=C(c1ccc(-c2ncnc3ccsc32)cc1)N1CCC[NH2+]CC1 ZINC000426432149 247279684 /nfs/dbraw/zinc/27/96/84/247279684.db2.gz YAGSHUYYYWZVJS-UHFFFAOYSA-N 1 0 338.436 2.794 50 0 EFAARO Cc1ccc2ncccc2c1CNC(=O)c1cccc(OCC[NH3+])c1 ZINC000426422696 247280127 /nfs/dbraw/zinc/28/01/27/247280127.db2.gz AVLQCQSUSVSXIZ-UHFFFAOYSA-N 1 0 335.407 2.811 50 0 EFAARO Cn1c(SCc2noc(C3CCCC3)n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000426485495 247284789 /nfs/dbraw/zinc/28/47/89/247284789.db2.gz FTKUBTBSTDAXTL-GFCCVEGCSA-N 1 0 348.476 2.615 50 0 EFAARO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2cccc(=O)[nH]2)cc1 ZINC000426479758 247285176 /nfs/dbraw/zinc/28/51/76/247285176.db2.gz OLFHDEOIOIRXHW-UHFFFAOYSA-N 1 0 325.412 2.670 50 0 EFAARO Cc1ccc(CNC(=O)c2cccc(OCC[NH3+])c2)c2cccnc12 ZINC000426511844 247291135 /nfs/dbraw/zinc/29/11/35/247291135.db2.gz WZDUYOAUDUKARO-UHFFFAOYSA-N 1 0 335.407 2.811 50 0 EFAARO C[C@@H](CO)CSc1nnc(C2CC[NH2+]CC2)n1Cc1ccccc1 ZINC000426571702 247292731 /nfs/dbraw/zinc/29/27/31/247292731.db2.gz XTWIJOGNYLRINV-AWEZNQCLSA-N 1 0 346.500 2.514 50 0 EFAARO Cc1ccc(CC2(NC(=O)Cc3ccc(OCC[NH3+])cc3)CC2)cc1 ZINC000426361145 247267853 /nfs/dbraw/zinc/26/78/53/247267853.db2.gz JCMHDZPIYRMCNM-UHFFFAOYSA-N 1 0 338.451 2.767 50 0 EFAARO Cc1cccc(CCSc2nnc(C[NH3+])n2Cc2ccccc2)n1 ZINC000426360125 247268014 /nfs/dbraw/zinc/26/80/14/247268014.db2.gz JCJHYKBCPFYCHV-UHFFFAOYSA-N 1 0 339.468 2.823 50 0 EFAARO C[N@@H+]1CCCC2(CCN(C(=O)NCCc3ccc(O)cc3)CC2)CC1 ZINC000426372295 247271436 /nfs/dbraw/zinc/27/14/36/247271436.db2.gz QLXUNQQGOVISHR-UHFFFAOYSA-N 1 0 345.487 2.842 50 0 EFAARO Cc1nn(CCNC(=O)c2cccc(-c3c[nH+]ccc3N)c2)c(C)c1C ZINC000426373885 247271607 /nfs/dbraw/zinc/27/16/07/247271607.db2.gz XYDGHECPJYVOMU-UHFFFAOYSA-N 1 0 349.438 2.713 50 0 EFAARO COc1ccc([C@@H](O)[C@@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccc(OC)cc2)cc1 ZINC000013147027 211529932 /nfs/dbraw/zinc/52/99/32/211529932.db2.gz SLMWVFCNXTYGHR-GOFCXKROSA-N 1 0 345.439 2.837 50 0 EFAARO CC[NH+](CC)CCN1C(=O)[C@H]2CCc3[nH]c4ccccc4c3[C@H]2C1=O ZINC000019703203 284622491 /nfs/dbraw/zinc/62/24/91/284622491.db2.gz JXAJGUYJUFEXLY-KSSFIOAISA-N 1 0 339.439 2.525 50 0 biogenic EFAARO CCc1ocnc1C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012475686 211392309 /nfs/dbraw/zinc/39/23/09/211392309.db2.gz QJPPMCFFFZNVKH-MRXNPFEDSA-N 1 0 327.428 2.674 50 0 EFAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000012458318 211388966 /nfs/dbraw/zinc/38/89/66/211388966.db2.gz NAJLLUPPFVQDIC-MRXNPFEDSA-N 1 0 341.411 2.597 50 0 EFAARO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000012458320 211389025 /nfs/dbraw/zinc/38/90/25/211389025.db2.gz NAJLLUPPFVQDIC-INIZCTEOSA-N 1 0 341.411 2.597 50 0 EFAARO COc1cc2c(cc1OC)C[N@H+](C[C@H](O)CO[C@@H]1CCC[C@@H]1C)CC2 ZINC000012414263 211373429 /nfs/dbraw/zinc/37/34/29/211373429.db2.gz HZKWJLGDBRNGQP-JCGIZDLHSA-N 1 0 349.471 2.628 50 0 EFAARO CC(C)[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2F)CC1 ZINC000012382478 211363119 /nfs/dbraw/zinc/36/31/19/211363119.db2.gz ABBTZIDRXZQPFC-LBPRGKRZSA-N 1 0 326.387 2.721 50 0 EFAARO O=C1C[C@@H]([NH2+]Cc2cccnc2)CN1CCc1cccc(Cl)c1 ZINC000012307923 211342122 /nfs/dbraw/zinc/34/21/22/211342122.db2.gz TWBVZJDJYSBWHC-QGZVFWFLSA-N 1 0 329.831 2.668 50 0 EFAARO O=C1C[C@@H]([NH2+]Cc2ccccn2)CN1CCc1cccc(Cl)c1 ZINC000012308694 211341317 /nfs/dbraw/zinc/34/13/17/211341317.db2.gz LWBSUYJSMMWFFH-QGZVFWFLSA-N 1 0 329.831 2.668 50 0 EFAARO Cc1cccc(CN2CCC[C@](O)(C[NH+]3CCC(C)CC3)C2=O)c1 ZINC000012302572 211339732 /nfs/dbraw/zinc/33/97/32/211339732.db2.gz BHYIZBAYHKFACA-FQEVSTJZSA-N 1 0 330.472 2.580 50 0 EFAARO CSCCC(=O)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012304024 211339152 /nfs/dbraw/zinc/33/91/52/211339152.db2.gz SJNCQFFNQNJCIZ-GOSISDBHSA-N 1 0 347.528 2.895 50 0 EFAARO O=C(c1sccc1Cl)N1CCC[C@@H]([NH+]2CCC(CO)CC2)C1 ZINC000012300884 211336798 /nfs/dbraw/zinc/33/67/98/211336798.db2.gz VFYIXAINSAOZAP-CYBMUJFWSA-N 1 0 342.892 2.710 50 0 EFAARO COCC[NH2+][C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000012160288 211309385 /nfs/dbraw/zinc/30/93/85/211309385.db2.gz IYERHSQSMWVFSA-INIZCTEOSA-N 1 0 328.460 2.842 50 0 EFAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1CCCn1ccnc1 ZINC000012151057 211308406 /nfs/dbraw/zinc/30/84/06/211308406.db2.gz AAYPZJSCPUJAES-KRWDZBQOSA-N 1 0 344.434 2.583 50 0 EFAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2ccco2)cc1 ZINC000012097132 211291929 /nfs/dbraw/zinc/29/19/29/211291929.db2.gz BYUYBQCIMKMATF-INIZCTEOSA-N 1 0 328.412 2.959 50 0 EFAARO CSCCN1C(=O)CC[C@H]1CC[NH2+]CCOc1ccc(F)cc1 ZINC000012100211 211291572 /nfs/dbraw/zinc/29/15/72/211291572.db2.gz DQQQYIHPSNZQKN-HNNXBMFYSA-N 1 0 340.464 2.538 50 0 EFAARO O=C(NC[C@@H]1COc2ccccc2C1)c1ccc(C[NH+]2CCCC2)o1 ZINC000091503674 218014490 /nfs/dbraw/zinc/01/44/90/218014490.db2.gz DCQYRXDYTPDSEM-OAHLLOKOSA-N 1 0 340.423 2.857 50 0 EFAARO CC(C)(C)C[N@@H+]1CCC[C@H](n2cc(C(=O)N3CCCCC3)nn2)C1 ZINC000011976936 211276120 /nfs/dbraw/zinc/27/61/20/211276120.db2.gz YZNZFBBGJVEHEJ-HNNXBMFYSA-N 1 0 333.480 2.587 50 0 EFAARO C[C@H](Cc1cnccn1)[NH2+]Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091434282 218005060 /nfs/dbraw/zinc/00/50/60/218005060.db2.gz QWGHNVHVKSTQCN-LLVKDONJSA-N 1 0 328.803 2.692 50 0 EFAARO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cccnc1-n1cnc2ccccc21 ZINC000011937228 211271303 /nfs/dbraw/zinc/27/13/03/211271303.db2.gz FOSNECXGDLBUEF-SFHVURJKSA-N 1 0 349.438 2.521 50 0 EFAARO O=C1CCC2(CC[NH2+]CC2)CN1CCCc1nc2cc(F)ccc2[nH]1 ZINC000091452589 218009259 /nfs/dbraw/zinc/00/92/59/218009259.db2.gz XSELVVSNELDUPE-UHFFFAOYSA-N 1 0 344.434 2.627 50 0 EFAARO CCc1nc(C)sc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1 ZINC000091461228 218010142 /nfs/dbraw/zinc/01/01/42/218010142.db2.gz BKUACUAVXSRCNK-LSDHHAIUSA-N 1 0 333.501 2.847 50 0 EFAARO CCc1ccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000091616310 218031757 /nfs/dbraw/zinc/03/17/57/218031757.db2.gz BYYHYGVDAGFRMP-RTBURBONSA-N 1 0 331.504 2.560 50 0 EFAARO C[NH+](C)[C@H]1CCN(c2cccc(C(F)(F)F)n2)C[C@H]1CCCO ZINC000091604973 218031864 /nfs/dbraw/zinc/03/18/64/218031864.db2.gz LXDDLLYYIPZVLB-OLZOCXBDSA-N 1 0 331.382 2.629 50 0 EFAARO CNc1nc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)cs1 ZINC000091505469 218015499 /nfs/dbraw/zinc/01/54/99/218015499.db2.gz HKOXRPJAPWLUAS-WMLDXEAASA-N 1 0 343.500 2.676 50 0 EFAARO CO[C@H]1C[C@@H](O)C12CC[NH+](CCOc1ccc(Cl)cc1)CC2 ZINC000091519400 218017124 /nfs/dbraw/zinc/01/71/24/218017124.db2.gz ZSFNALDLRYQIJZ-CVEARBPZSA-N 1 0 325.836 2.581 50 0 EFAARO CC[NH+](CC)Cc1cc(C(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)c(C)o1 ZINC000091526551 218018244 /nfs/dbraw/zinc/01/82/44/218018244.db2.gz ZNILKOBQXGFMCP-YJYMSZOUSA-N 1 0 334.460 2.663 50 0 EFAARO CCCn1ncc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1C ZINC000091563343 218022892 /nfs/dbraw/zinc/02/28/92/218022892.db2.gz VHCWBIBTIXUNFH-GOSISDBHSA-N 1 0 328.460 2.943 50 0 EFAARO CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@H]1CCCCC[N@@H+]1C ZINC000091625538 218034533 /nfs/dbraw/zinc/03/45/33/218034533.db2.gz DBGDDDMGVBCFLH-QGZVFWFLSA-N 1 0 328.416 2.569 50 0 EFAARO CCc1[nH+]c(N)nc(N2CCN(c3cccc(Cl)c3)CC2)c1C ZINC000091586532 218025714 /nfs/dbraw/zinc/02/57/14/218025714.db2.gz VSSSYYQAYHADKN-UHFFFAOYSA-N 1 0 331.851 2.910 50 0 EFAARO COc1ccc(CN2C(=O)O[C@@H]3C[N@H+](C4CCCC4)C[C@@H]32)cc1OC ZINC000011841001 211254700 /nfs/dbraw/zinc/25/47/00/211254700.db2.gz AZUFUPAZZAWIGG-MAUKXSAKSA-N 1 0 346.427 2.651 50 0 EFAARO Cc1ccc([C@H](CNC(=O)c2cc(CC(C)C)nn2C)[NH+](C)C)cc1 ZINC000091691335 218047533 /nfs/dbraw/zinc/04/75/33/218047533.db2.gz JSARIVYFNVJBBK-IBGZPJMESA-N 1 0 342.487 2.960 50 0 EFAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000091690294 218047577 /nfs/dbraw/zinc/04/75/77/218047577.db2.gz OLOQOBVWJCBDGO-FQEVSTJZSA-N 1 0 346.446 2.929 50 0 EFAARO Cc1cc(C2CCC2)nc(N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000091724280 218053211 /nfs/dbraw/zinc/05/32/11/218053211.db2.gz SEDIFNRVKZJANX-QZTJIDSGSA-N 1 0 344.503 2.583 50 0 EFAARO c1cn(Cc2nnc(C3CCN(c4cc[nH+]cc4)CC3)n2C2CC2)cn1 ZINC000091693697 218048971 /nfs/dbraw/zinc/04/89/71/218048971.db2.gz SDZCTHDRNQDREF-UHFFFAOYSA-N 1 0 349.442 2.637 50 0 EFAARO CC(C)c1noc(CC[NH2+]Cc2cc(=O)c3cccc(F)c3[nH]2)n1 ZINC000091637166 218036948 /nfs/dbraw/zinc/03/69/48/218036948.db2.gz RPBRMKCSQYWXBT-UHFFFAOYSA-N 1 0 330.363 2.506 50 0 EFAARO COCC[C@]1(CO)CCC[N@@H+](C2CCN(c3ccccc3)CC2)C1 ZINC000091644331 218037568 /nfs/dbraw/zinc/03/75/68/218037568.db2.gz JIVKIYIMHCRWKJ-HXUWFJFHSA-N 1 0 332.488 2.766 50 0 EFAARO COc1cccc([C@H]2CN(C(=O)c3ccc(C)c(F)c3F)C[C@@H]2[NH3+])c1 ZINC000091656711 218040814 /nfs/dbraw/zinc/04/08/14/218040814.db2.gz GPZWTTBEWQGFNR-CVEARBPZSA-N 1 0 346.377 2.849 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000091664572 218043652 /nfs/dbraw/zinc/04/36/52/218043652.db2.gz NVPIUDSKEKZQKM-GOSISDBHSA-N 1 0 349.906 2.859 50 0 EFAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C(=O)Nc1ccccc1)C2 ZINC000091665827 218044661 /nfs/dbraw/zinc/04/46/61/218044661.db2.gz ZRMZEUQSAGUJPZ-SJLPKXTDSA-N 1 0 341.455 2.514 50 0 EFAARO O=C(CCc1cc2n(n1)CCC[N@H+](C[C@@H]1CC=CCC1)C2)NC1CC1 ZINC000091678086 218045653 /nfs/dbraw/zinc/04/56/53/218045653.db2.gz ZDLOUFVJGBLCMH-MRXNPFEDSA-N 1 0 342.487 2.656 50 0 EFAARO COc1cccc(OCC[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1 ZINC000091713581 218053690 /nfs/dbraw/zinc/05/36/90/218053690.db2.gz JESRXOVROVQECY-UZLBHIALSA-N 1 0 349.471 2.574 50 0 EFAARO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H]1CCCCC[N@@H+]1C ZINC000091746222 218058481 /nfs/dbraw/zinc/05/84/81/218058481.db2.gz KZDXHCNEVURUDG-GOSISDBHSA-N 1 0 326.444 2.910 50 0 EFAARO CN(C(=O)c1csc2nc(-c3ccccc3)cn12)[C@@H]1CC[N@H+](C)C1 ZINC000011663369 211230331 /nfs/dbraw/zinc/23/03/31/211230331.db2.gz PDNBVNXLFBWCCE-CQSZACIVSA-N 1 0 340.452 2.839 50 0 EFAARO Cc1c([C@@H](C)NC(=O)C[NH+]2CCCCCC2)cnn1-c1ccccn1 ZINC000011661151 211229771 /nfs/dbraw/zinc/22/97/71/211229771.db2.gz STUOJZNKWDWQGI-OAHLLOKOSA-N 1 0 341.459 2.629 50 0 EFAARO COCC[N@@H+]1CC[C@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1 ZINC000091770438 218063213 /nfs/dbraw/zinc/06/32/13/218063213.db2.gz VTAJRZZAVBHBAT-FQEVSTJZSA-N 1 0 344.499 2.826 50 0 EFAARO NC(=O)c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3ccco3)cc(=O)c2c1 ZINC000091770783 218063259 /nfs/dbraw/zinc/06/32/59/218063259.db2.gz GZXHFYBCNLLDFY-INIZCTEOSA-N 1 0 337.379 2.557 50 0 EFAARO Cc1[nH]c2c(cccc2F)c1CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2C)C1 ZINC000091914866 218088116 /nfs/dbraw/zinc/08/81/16/218088116.db2.gz OERCIQCFVACHSJ-ZIAGYGMSSA-N 1 0 329.419 2.711 50 0 EFAARO Cc1ccc(C)c2c(=O)cc(C[NH2+]CC3(Cn4ccnc4)CC3)[nH]c12 ZINC000091830376 218073357 /nfs/dbraw/zinc/07/33/57/218073357.db2.gz AWUXPBKAYJIVOE-UHFFFAOYSA-N 1 0 336.439 2.911 50 0 EFAARO Cc1cc2cccc(C(=O)N3CC[C@H]([NH+](C)C)[C@H](CCCO)C3)c2o1 ZINC000091848285 218075748 /nfs/dbraw/zinc/07/57/48/218075748.db2.gz CTUWWZRMVQTDJX-AEFFLSMTSA-N 1 0 344.455 2.906 50 0 EFAARO CC[C@H](C(=O)N(C)Cc1cnn(-c2ccccc2)c1)[NH+]1CCCC1 ZINC000091847977 218076239 /nfs/dbraw/zinc/07/62/39/218076239.db2.gz ZNURNFGUTYQZOW-GOSISDBHSA-N 1 0 326.444 2.705 50 0 EFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2nccn2C)C3)cc1 ZINC000091860269 218079750 /nfs/dbraw/zinc/07/97/50/218079750.db2.gz XTAVQDLGPGCCRN-ZWKOTPCHSA-N 1 0 340.471 2.525 50 0 EFAARO O=C1CCC2(CCN([C@@H]3CCC[NH2+]C3)CC2)CN1Cc1ccccc1 ZINC000091877044 218082727 /nfs/dbraw/zinc/08/27/27/218082727.db2.gz FZPHQZYXWHNQOP-LJQANCHMSA-N 1 0 341.499 2.643 50 0 EFAARO CCC[C@H]1C[N@H+](Cc2ccc(OC(C)C)c(CO)c2)C[C@@H]1NC(C)=O ZINC000091997332 218101225 /nfs/dbraw/zinc/10/12/25/218101225.db2.gz CHTPEMVZQRFAKY-HKUYNNGSSA-N 1 0 348.487 2.703 50 0 EFAARO Cc1oc(C(C)C)cc1C(=O)N1C[C@@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000092038112 218107761 /nfs/dbraw/zinc/10/77/61/218107761.db2.gz FWTHNFDBESVXML-SJORKVTESA-N 1 0 348.487 2.878 50 0 EFAARO C[NH+](C)C[C@@H]1COCCN(Cc2cc(=O)c3cccc(Cl)c3[nH]2)C1 ZINC000092036881 218107920 /nfs/dbraw/zinc/10/79/20/218107920.db2.gz RFATYAVLNZDEIY-ZDUSSCGKSA-N 1 0 349.862 2.604 50 0 EFAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1cccc(C)c1)CC2 ZINC000091950640 218093742 /nfs/dbraw/zinc/09/37/42/218093742.db2.gz JZKAWFDSPYOYBZ-UHFFFAOYSA-N 1 0 330.472 2.846 50 0 EFAARO Cc1cnn(CCC[NH2+]Cc2cc(=O)c3cccc(Cl)c3[nH]2)c1 ZINC000091964706 218096241 /nfs/dbraw/zinc/09/62/41/218096241.db2.gz PNMPPWKEAVURGH-UHFFFAOYSA-N 1 0 330.819 2.866 50 0 EFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2ccccc2F)C1 ZINC000010544120 211180472 /nfs/dbraw/zinc/18/04/72/211180472.db2.gz PQIGMTCDNGBJJV-GASCZTMLSA-N 1 0 342.480 2.613 50 0 EFAARO O=S(=O)(Cc1cccc(Cl)c1)NCCC[NH+]1CCCCC1 ZINC000010280012 211159683 /nfs/dbraw/zinc/15/96/83/211159683.db2.gz GJCGQQKXNCRQQP-UHFFFAOYSA-N 1 0 330.881 2.635 50 0 EFAARO COc1ccc(Cl)cc1NC(=[NH2+])Nc1nc2c(c(=O)[nH]1)CCCC2 ZINC000009486088 211091216 /nfs/dbraw/zinc/09/12/16/211091216.db2.gz UKCSPXHLOAEOGF-UHFFFAOYSA-N 1 0 347.806 2.769 50 0 EFAARO Cc1ccc(NC(=O)[C@@H]2C=C(O)NC(Nc3ccccc3)=[NH+]2)cc1C ZINC000009192423 211050949 /nfs/dbraw/zinc/05/09/49/211050949.db2.gz UWCNPTBMHWCFGV-INIZCTEOSA-N 1 0 336.395 2.599 50 0 EFAARO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCCc2nc3cc(F)ccc3[nH]2)C1 ZINC000095353488 218287195 /nfs/dbraw/zinc/28/71/95/218287195.db2.gz ISBTUSFCESFTFM-AWEZNQCLSA-N 1 0 346.450 2.871 50 0 EFAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000095353484 218287493 /nfs/dbraw/zinc/28/74/93/218287493.db2.gz YBNIHLCAZNCXOF-QGZVFWFLSA-N 1 0 332.492 2.731 50 0 EFAARO O=C(c1ccc(CO)o1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095359421 218292691 /nfs/dbraw/zinc/29/26/91/218292691.db2.gz GPFDLEQNXXBSTR-IAGOWNOFSA-N 1 0 340.423 2.509 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1Cn1cccn1 ZINC000095360404 218293223 /nfs/dbraw/zinc/29/32/23/218293223.db2.gz QOAWSSPRUJDHIQ-HXUWFJFHSA-N 1 0 341.455 2.943 50 0 EFAARO CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nn2C)C[C@H]1[NH+](C)C ZINC000095354213 218288693 /nfs/dbraw/zinc/28/86/93/218288693.db2.gz NPFBWGARNFPYIZ-QFBILLFUSA-N 1 0 340.471 2.745 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)NCCCn2ncc3ccccc32)CC1 ZINC000095355053 218289059 /nfs/dbraw/zinc/28/90/59/218289059.db2.gz CCNJIDFRSDYMGA-UHFFFAOYSA-N 1 0 328.460 2.663 50 0 EFAARO CCCc1cc(CNC(=O)C2CC[NH+](Cc3ccco3)CC2)on1 ZINC000095355974 218289605 /nfs/dbraw/zinc/28/96/05/218289605.db2.gz OPBRHJRWNJYTHG-UHFFFAOYSA-N 1 0 331.416 2.749 50 0 EFAARO O=C(Cc1cccc(O)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095355341 218289641 /nfs/dbraw/zinc/28/96/41/218289641.db2.gz SILJFRFAZUFTAC-QZTJIDSGSA-N 1 0 328.456 2.658 50 0 EFAARO CCN(Cc1nc(C)no1)C(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000095357319 218290122 /nfs/dbraw/zinc/29/01/22/218290122.db2.gz UEKSPGADWUKZFV-JKSUJKDBSA-N 1 0 334.464 2.771 50 0 EFAARO CN(C)[C@@H](C(=O)NCCC[N@H+](C)C1CCCC1)c1ccccc1F ZINC000095357153 218290972 /nfs/dbraw/zinc/29/09/72/218290972.db2.gz FWOCOWOKBFJUBV-GOSISDBHSA-N 1 0 335.467 2.809 50 0 EFAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCCc2nc(C)c(Cl)s2)C1 ZINC000095367145 218299441 /nfs/dbraw/zinc/29/94/41/218299441.db2.gz VWKFKTVYWZWJOL-HNNXBMFYSA-N 1 0 329.897 2.886 50 0 EFAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCCNc1cccnc1 ZINC000095360727 218294198 /nfs/dbraw/zinc/29/41/98/218294198.db2.gz KAFBRCSKLGOQPJ-FUHWJXTLSA-N 1 0 330.476 2.654 50 0 EFAARO O=C1CCC2(CC[NH+](C[C@@H]3CCOc4ccccc4C3)CC2)CN1 ZINC000095517104 284785477 /nfs/dbraw/zinc/78/54/77/284785477.db2.gz JSEXHLYMHRMPCT-MRXNPFEDSA-N 1 0 328.456 2.620 50 0 EFAARO Cc1cccnc1N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095374939 218307847 /nfs/dbraw/zinc/30/78/47/218307847.db2.gz AKTXGESHVYTZRG-UHFFFAOYSA-N 1 0 327.476 2.922 50 0 EFAARO COc1ccc2c(c1)CC[N@@H+](Cc1nnc(-c3cccnc3)o1)CC2 ZINC000095376685 218308678 /nfs/dbraw/zinc/30/86/78/218308678.db2.gz BTEOOAMNGUEUPF-UHFFFAOYSA-N 1 0 336.395 2.741 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCCn1ncc2ccccc21 ZINC000095370084 218302147 /nfs/dbraw/zinc/30/21/47/218302147.db2.gz DRGVOYNDIOXWTH-QGZVFWFLSA-N 1 0 328.460 2.807 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCCn1ncc2ccccc21 ZINC000095370085 218302178 /nfs/dbraw/zinc/30/21/78/218302178.db2.gz DRGVOYNDIOXWTH-KRWDZBQOSA-N 1 0 328.460 2.807 50 0 EFAARO O=C(NCCSc1ccccn1)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095370309 218302556 /nfs/dbraw/zinc/30/25/56/218302556.db2.gz MDPCDVAOEDDLIC-HNNXBMFYSA-N 1 0 333.501 2.945 50 0 EFAARO c1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3cccc4nonc43)C2)nc1 ZINC000095371108 218303651 /nfs/dbraw/zinc/30/36/51/218303651.db2.gz PHOXWYKLNNDCHY-MAUKXSAKSA-N 1 0 349.438 2.714 50 0 EFAARO O=C(c1cccnc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095371766 218304440 /nfs/dbraw/zinc/30/44/40/218304440.db2.gz FWWFJFIAGPZNIY-OXJNMPFZSA-N 1 0 347.462 2.785 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N2CCCC[C@@H]2c2nc(C)no2)CC1 ZINC000095372389 218305165 /nfs/dbraw/zinc/30/51/65/218305165.db2.gz DIQWFBYKGDCJLC-MRXNPFEDSA-N 1 0 334.464 2.944 50 0 EFAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2ccsc2)CC1 ZINC000095373315 218306607 /nfs/dbraw/zinc/30/66/07/218306607.db2.gz LTBASNOESRDCSP-UHFFFAOYSA-N 1 0 346.500 2.916 50 0 EFAARO COc1cccc([C@H]2CN(c3cnccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095376945 218310328 /nfs/dbraw/zinc/31/03/28/218310328.db2.gz KCZZPYODNGWQFM-MISYRCLQSA-N 1 0 336.439 2.552 50 0 EFAARO COc1cccc2ccc(N3CCC([N@@H+]4CCC[C@H](O)C4)CC3)nc21 ZINC000095379924 218312446 /nfs/dbraw/zinc/31/24/46/218312446.db2.gz KCJBOUBGDLMBFC-KRWDZBQOSA-N 1 0 341.455 2.669 50 0 EFAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCCc2noc(-c3ccccc3)n2)C1 ZINC000095382536 218314355 /nfs/dbraw/zinc/31/43/55/218314355.db2.gz CWOLNHLCGIWIKF-LJQANCHMSA-N 1 0 342.443 2.517 50 0 EFAARO Cc1cnn(CC2CCN(C(=O)CC[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000095382196 218314573 /nfs/dbraw/zinc/31/45/73/218314573.db2.gz IMTMSTQSIDDOME-KRWDZBQOSA-N 1 0 332.492 2.552 50 0 EFAARO Cc1nc2cc(CNC(=O)CCC[NH+]3CCCCC3)ccc2n1C ZINC000095387693 218319073 /nfs/dbraw/zinc/31/90/73/218319073.db2.gz PPTQGFIAJHZSKL-UHFFFAOYSA-N 1 0 328.460 2.764 50 0 EFAARO C[NH+](C)CCCn1ccnc1C1CCN(c2ccncc2F)CC1 ZINC000095387265 218319865 /nfs/dbraw/zinc/31/98/65/218319865.db2.gz NCGVWIKPQOQMNV-UHFFFAOYSA-N 1 0 331.439 2.753 50 0 EFAARO O=C(CCc1cccnc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095388776 218320641 /nfs/dbraw/zinc/32/06/41/218320641.db2.gz ZMDAWAXWZJUXSU-RTBURBONSA-N 1 0 327.472 2.737 50 0 EFAARO O=C(c1cnc(C2CC2)nc1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000095390864 218322433 /nfs/dbraw/zinc/32/24/33/218322433.db2.gz KCRZODPCUHPADL-KRWDZBQOSA-N 1 0 328.460 2.835 50 0 EFAARO O=C(c1ccc[nH]1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095391032 218323081 /nfs/dbraw/zinc/32/30/81/218323081.db2.gz BLBZZCBSRUNREQ-QXAKKESOSA-N 1 0 339.414 2.856 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N(C)CC(=O)c2ccc(O)cc2)CC1 ZINC000095383585 218315897 /nfs/dbraw/zinc/31/58/97/218315897.db2.gz JYMDUKBSYDWKKO-UHFFFAOYSA-N 1 0 332.444 2.545 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCc1noc(C2CCCC2)n1 ZINC000095383297 218316118 /nfs/dbraw/zinc/31/61/18/218316118.db2.gz WPTOPQLAEZGWRW-HNNXBMFYSA-N 1 0 334.464 2.650 50 0 EFAARO CCCOC[C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000095386571 218318000 /nfs/dbraw/zinc/31/80/00/218318000.db2.gz OFULIEHFGLPXFM-MRXNPFEDSA-N 1 0 334.460 2.767 50 0 EFAARO O=C(c1ccc(C=Cc2n[nH]c3ccccc23)cc1)N1CC[NH2+]CC1 ZINC000095911083 218449278 /nfs/dbraw/zinc/44/92/78/218449278.db2.gz YYLKKYCXAOBSRM-YFHOEESVSA-N 1 0 332.407 2.779 50 0 EFAARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(-c4ccco4)nc3c12 ZINC000006757394 210704672 /nfs/dbraw/zinc/70/46/72/210704672.db2.gz GNYNBCVIOOTZAY-UHFFFAOYSA-N 1 0 338.415 2.908 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(OC)c1 ZINC000005071495 210383307 /nfs/dbraw/zinc/38/33/07/210383307.db2.gz MGOUQYLANPAFAP-INIZCTEOSA-N 1 0 332.444 2.538 50 0 EFAARO CCc1ccc(C[NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000005045696 210373093 /nfs/dbraw/zinc/37/30/93/210373093.db2.gz TWUMXQVODHUCSZ-LJQANCHMSA-N 1 0 330.472 2.756 50 0 EFAARO Cn1nnnc1SCCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000004993849 210352222 /nfs/dbraw/zinc/35/22/22/210352222.db2.gz IGUZRILRCCJUGZ-UHFFFAOYSA-N 1 0 347.419 2.881 50 0 EFAARO Cn1c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)cc2n(C)c1=O ZINC000004993760 210352360 /nfs/dbraw/zinc/35/23/60/210352360.db2.gz OPKALLHLOIENOE-UHFFFAOYSA-N 1 0 334.423 2.691 50 0 EFAARO COCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc3c(c2)CCCC3)C1 ZINC000097294916 219009733 /nfs/dbraw/zinc/00/97/33/219009733.db2.gz RKAZSOGQCQXATG-IBGZPJMESA-N 1 0 330.472 2.540 50 0 EFAARO Cc1ccccc1NC(=O)COc1ccccc1C[NH2+]C(C)(C)CO ZINC000004867365 210306816 /nfs/dbraw/zinc/30/68/16/210306816.db2.gz CLUVDKBXLNYDMU-UHFFFAOYSA-N 1 0 342.439 2.873 50 0 EFAARO C[C@@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H](O)c1ccc(O)cc1 ZINC000097394126 219021875 /nfs/dbraw/zinc/02/18/75/219021875.db2.gz JQEOFGHOJNGCNH-FZKQIMNGSA-N 1 0 348.487 2.877 50 0 EFAARO COCC[NH+]1CCC(C(=O)N2CCc3cc(SC)ccc3C2)CC1 ZINC000097393916 219021924 /nfs/dbraw/zinc/02/19/24/219021924.db2.gz HNFZAXJQNROIBL-UHFFFAOYSA-N 1 0 348.512 2.652 50 0 EFAARO Cc1ccsc1[C@@H](CNC(=O)c1cnc(NC(C)C)nc1)[NH+](C)C ZINC000097468664 219026930 /nfs/dbraw/zinc/02/69/30/219026930.db2.gz MIBKCEALRVSRRL-CQSZACIVSA-N 1 0 347.488 2.700 50 0 EFAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(CO)n3C)C2)s1 ZINC000097492558 219029855 /nfs/dbraw/zinc/02/98/55/219029855.db2.gz LFAWBSDTDWXLHZ-AWEZNQCLSA-N 1 0 348.516 2.947 50 0 EFAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)c2ccco2)c1=N ZINC000004793536 210278641 /nfs/dbraw/zinc/27/86/41/210278641.db2.gz OGNHKPNBIHINDP-KRWDZBQOSA-N 1 0 342.443 2.591 50 0 EFAARO COc1ccc(CN(C)Cc2nccn2C)cc1C[NH+]1CCCC1 ZINC000097547538 219034790 /nfs/dbraw/zinc/03/47/90/219034790.db2.gz YQPORFODXLUNIM-UHFFFAOYSA-N 1 0 328.460 2.657 50 0 EFAARO CNC(=O)Cn1cc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)cn1 ZINC000426685373 257958613 /nfs/dbraw/zinc/95/86/13/257958613.db2.gz OBJCXPXDONEYHW-HNNXBMFYSA-N 1 0 326.444 2.843 50 0 EFAARO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C(F)(F)F)c2F)C1 ZINC000426689291 257958658 /nfs/dbraw/zinc/95/86/58/257958658.db2.gz QEZXGWVSMPZKDS-NSHDSACASA-N 1 0 347.356 2.938 50 0 EFAARO Cc1nn(CC(N)=O)c(C)c1-c1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000426624715 257960722 /nfs/dbraw/zinc/96/07/22/257960722.db2.gz CYQZGHWQVRRUSH-AWEZNQCLSA-N 1 0 326.444 2.809 50 0 EFAARO CN(CCC[NH+](C)C)C(=O)NCc1cc(C(F)(F)F)ccc1F ZINC000426440227 257967866 /nfs/dbraw/zinc/96/78/66/257967866.db2.gz FDMNYUWWJAJFLC-UHFFFAOYSA-N 1 0 335.345 2.938 50 0 EFAARO Cc1cccc(OCCCN(C)C(=O)NC[C@H]2CCCC[N@@H+]2C)c1 ZINC000426420762 257969249 /nfs/dbraw/zinc/96/92/49/257969249.db2.gz PITLIZPXMDDGTA-QGZVFWFLSA-N 1 0 333.476 2.890 50 0 EFAARO CC(C)CCc1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]n1 ZINC000334160884 258016727 /nfs/dbraw/zinc/01/67/27/258016727.db2.gz ODADKPKOSPDBQD-YJBOKZPZSA-N 1 0 332.492 2.993 50 0 EFAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(Cc2ccc(F)cc2)no1 ZINC000299771140 258083442 /nfs/dbraw/zinc/08/34/42/258083442.db2.gz SYHYJVACBVNDQU-KRWDZBQOSA-N 1 0 345.418 2.961 50 0 EFAARO COc1ccc(Cl)cc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1OC ZINC000299773310 258085328 /nfs/dbraw/zinc/08/53/28/258085328.db2.gz DHGOKIUQIVGAHD-ZFWWWQNUSA-N 1 0 341.839 2.578 50 0 EFAARO Cc1ccccc1-c1ccccc1C(=O)N1CCN2CC[N@@H+](C)C[C@H]2C1 ZINC000299773500 258085386 /nfs/dbraw/zinc/08/53/86/258085386.db2.gz DEXCBCVFJPMUBN-SFHVURJKSA-N 1 0 349.478 2.734 50 0 EFAARO Cc1nnc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)s1 ZINC000299775478 258085889 /nfs/dbraw/zinc/08/58/89/258085889.db2.gz JQLITIMCXAIZTH-UHFFFAOYSA-N 1 0 328.485 2.869 50 0 EFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N(C)c3ccccc3)cc2C1 ZINC000299776549 258086438 /nfs/dbraw/zinc/08/64/38/258086438.db2.gz DBIVFZDPQYBTNX-UHFFFAOYSA-N 1 0 341.459 2.845 50 0 EFAARO COC1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299782842 258091301 /nfs/dbraw/zinc/09/13/01/258091301.db2.gz WGUQDBDFKYPINB-OTWHNJEPSA-N 1 0 328.456 2.849 50 0 EFAARO COc1cccc(C(=O)N[C@@H](C)c2cccc(C)n2)c1OCCC[NH3+] ZINC000299783870 258092065 /nfs/dbraw/zinc/09/20/65/258092065.db2.gz ZPQMRFHLJGVKRC-AWEZNQCLSA-N 1 0 343.427 2.617 50 0 EFAARO Cc1nnc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)s1 ZINC000299787212 258093479 /nfs/dbraw/zinc/09/34/79/258093479.db2.gz SCLOPSPGOQSACA-UHFFFAOYSA-N 1 0 334.445 2.601 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cn(C)nc3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000299786934 258093486 /nfs/dbraw/zinc/09/34/86/258093486.db2.gz QREOVKKQKKHTTG-GBESFXJTSA-N 1 0 333.476 2.667 50 0 EFAARO O=C(NCC1CCOCC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299787096 258093687 /nfs/dbraw/zinc/09/36/87/258093687.db2.gz RRNVULHDSZNMOP-OTWHNJEPSA-N 1 0 328.456 2.755 50 0 EFAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cc(Cl)cn1C ZINC000299787432 258094593 /nfs/dbraw/zinc/09/45/93/258094593.db2.gz LTPYMJDNYDVTHN-INIZCTEOSA-N 1 0 331.847 2.807 50 0 EFAARO CCc1noc(-c2cccc(NC(=O)NCC[C@@H]3CCC[N@@H+]3C)c2)n1 ZINC000299791348 258097118 /nfs/dbraw/zinc/09/71/18/258097118.db2.gz DGDKYTQBIIHDTL-HNNXBMFYSA-N 1 0 343.431 2.905 50 0 EFAARO O=C(Nc1cccc2c[nH]nc21)N1CC[NH+](C2CCSCC2)CC1 ZINC000299791745 258097314 /nfs/dbraw/zinc/09/73/14/258097314.db2.gz FSIJWZQXSRELMM-UHFFFAOYSA-N 1 0 345.472 2.608 50 0 EFAARO CO[C@]12CC[N@H+](Cc3c[nH]nc3-c3ccccc3)[C@H]1C[C@@H](O)CC2 ZINC000299793581 258098946 /nfs/dbraw/zinc/09/89/46/258098946.db2.gz INCPFBVDLVDDEQ-JENIJYKNSA-N 1 0 327.428 2.581 50 0 EFAARO CC(C)c1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)no1 ZINC000299795571 258099566 /nfs/dbraw/zinc/09/95/66/258099566.db2.gz NEPSFDUGLGUELY-OAHLLOKOSA-N 1 0 349.475 2.647 50 0 EFAARO O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299796598 258101279 /nfs/dbraw/zinc/10/12/79/258101279.db2.gz POZXTWZFDLOWPU-AWEZNQCLSA-N 1 0 345.834 2.838 50 0 EFAARO Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000299798490 258102677 /nfs/dbraw/zinc/10/26/77/258102677.db2.gz RYXNSJRTVYAECV-SFHVURJKSA-N 1 0 340.471 2.597 50 0 EFAARO Cc1ncn(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000299802163 258104754 /nfs/dbraw/zinc/10/47/54/258104754.db2.gz XRWXKUQZANQDRB-IBGZPJMESA-N 1 0 340.471 2.528 50 0 EFAARO Cn1ncc(Cl)c1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000299802927 258105215 /nfs/dbraw/zinc/10/52/15/258105215.db2.gz SKIMJVPUVDNINJ-UHFFFAOYSA-N 1 0 332.835 2.599 50 0 EFAARO CN(Cc1cc[nH]n1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000020137377 258057074 /nfs/dbraw/zinc/05/70/74/258057074.db2.gz BYBKHOMXMRBFBA-KRWDZBQOSA-N 1 0 330.451 2.935 50 0 EFAARO CCn1nc(C)c(C[N@H+](CCOC)Cc2cccc3nonc32)c1C ZINC000055060913 258060983 /nfs/dbraw/zinc/06/09/83/258060983.db2.gz ZTNAWYIVDMIBDZ-UHFFFAOYSA-N 1 0 343.431 2.705 50 0 EFAARO O=C(NCCc1ccccc1C(F)(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000096165149 258067780 /nfs/dbraw/zinc/06/77/80/258067780.db2.gz BAMWCQUXVFHTRP-CQSZACIVSA-N 1 0 326.362 2.754 50 0 EFAARO c1coc(-c2ccccc2C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1 ZINC000299755741 258074191 /nfs/dbraw/zinc/07/41/91/258074191.db2.gz CTUZACPXOOSUPR-HKUYNNGSSA-N 1 0 336.395 2.884 50 0 EFAARO Cc1noc(C)c1CN(C)C(=O)c1ccc(C)c(OCCC[NH3+])c1 ZINC000299758383 258075825 /nfs/dbraw/zinc/07/58/25/258075825.db2.gz PDDCYUYSPROXQO-UHFFFAOYSA-N 1 0 331.416 2.600 50 0 EFAARO Cc1cc(=O)cc(C(=O)NC[C@@H]2CCC[N@@H+](C3CCCCC3)C2)[nH]1 ZINC000299760550 258077721 /nfs/dbraw/zinc/07/77/21/258077721.db2.gz WNCXYVNECPLLCC-HNNXBMFYSA-N 1 0 331.460 2.870 50 0 EFAARO C[NH+]1CCC(OCCCNC(=O)c2ccc3ccccc3c2O)CC1 ZINC000299761142 258077728 /nfs/dbraw/zinc/07/77/28/258077728.db2.gz VJSXHZDNDMOSMT-UHFFFAOYSA-N 1 0 342.439 2.776 50 0 EFAARO Cc1[nH]nc(C2CC2)c1C(=O)N[C@@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000299760572 258078073 /nfs/dbraw/zinc/07/80/73/258078073.db2.gz IATNOXMFJZVLRM-ZDUSSCGKSA-N 1 0 338.455 2.772 50 0 EFAARO Cc1cc(=O)[nH]c(C)c1C(=O)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC000299760766 258078186 /nfs/dbraw/zinc/07/81/86/258078186.db2.gz RFQNKQKKUWPRNA-MRXNPFEDSA-N 1 0 327.428 2.827 50 0 EFAARO CCc1cc(CNC(=O)c2ccc(OCCC[NH3+])c(Cl)c2)on1 ZINC000299766781 258081622 /nfs/dbraw/zinc/08/16/22/258081622.db2.gz FLLUWQJQWSOPOL-UHFFFAOYSA-N 1 0 337.807 2.548 50 0 EFAARO COc1ccc(C)c(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000299767966 258082074 /nfs/dbraw/zinc/08/20/74/258082074.db2.gz GVZJBIZEPKRLJC-QGZVFWFLSA-N 1 0 347.459 2.769 50 0 EFAARO COc1ccc(OC)c([C@@H]2[NH2+]CC[C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000061717619 286343772 /nfs/dbraw/zinc/34/37/72/286343772.db2.gz HINAQJUAGMVCCT-PKOBYXMFSA-N 1 0 342.370 2.767 50 0 EFAARO COc1ccc(OC)c(-c2nc(CN3CCC[C@H](C[NH3+])C3)c(C)o2)c1 ZINC000067447009 286341460 /nfs/dbraw/zinc/34/14/60/286341460.db2.gz KXDXYLMTAPVXRM-CQSZACIVSA-N 1 0 345.443 2.838 50 0 EFAARO COc1cccc(CN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)c1 ZINC000082121617 286450985 /nfs/dbraw/zinc/45/09/85/286450985.db2.gz IMFSZOQRJHVWQP-UHFFFAOYSA-N 1 0 337.423 2.776 50 0 EFAARO CC[NH+]1CCN(c2ncnc3c2c(C)c(C)n3Cc2ccco2)CC1 ZINC000040456204 273667581 /nfs/dbraw/zinc/66/75/81/273667581.db2.gz JVOALKHUEKAXMH-UHFFFAOYSA-N 1 0 339.443 2.831 50 0 EFAARO C[NH+](C)CCNc1ncnc2c3cc(Br)ccc3[nH]c21 ZINC000005034816 273797044 /nfs/dbraw/zinc/79/70/44/273797044.db2.gz MBJNULDAUQMPMR-UHFFFAOYSA-N 1 0 334.221 2.847 50 0 EFAARO COc1ccnc(C[NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)c1 ZINC000072164763 274163661 /nfs/dbraw/zinc/16/36/61/274163661.db2.gz XIOYSINXHNCWRN-UHFFFAOYSA-N 1 0 337.423 2.600 50 0 EFAARO O=c1cc(C[NH+]2CCC3(CC2)OCCO3)c2cc3c(cc2o1)CCC3 ZINC000054219980 275043385 /nfs/dbraw/zinc/04/33/85/275043385.db2.gz FDABYOSXVKQTMH-UHFFFAOYSA-N 1 0 341.407 2.621 50 0 biogenic EFAARO OCCC[NH2+]C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000012421952 275046071 /nfs/dbraw/zinc/04/60/71/275046071.db2.gz GEXJMLOAQZPDMS-CYBMUJFWSA-N 1 0 336.863 2.506 50 0 EFAARO CC1(C)CNC(=O)c2[nH]c([C@H]3CC[N@@H+](C4CCCCC4)C3)nc2C1 ZINC000095501524 276137805 /nfs/dbraw/zinc/13/78/05/276137805.db2.gz RWCOSWXTCUZDQR-ZDUSSCGKSA-N 1 0 330.476 2.844 50 0 EFAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(O)c2)N3)C1 ZINC000006843185 276236547 /nfs/dbraw/zinc/23/65/47/276236547.db2.gz ZHHPVNADWQYAJK-HNNXBMFYSA-N 1 0 329.425 2.686 50 0 EFAARO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC2(CCOCC2)CC1 ZINC000219136510 276254405 /nfs/dbraw/zinc/25/44/05/276254405.db2.gz XSBGYZJNUOAYKS-IBGZPJMESA-N 1 0 342.483 2.852 50 0 EFAARO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000075978227 277101035 /nfs/dbraw/zinc/10/10/35/277101035.db2.gz XUDHZASYDOKCQZ-UHFFFAOYSA-N 1 0 342.846 2.627 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1c(Cl)cncc1Cl)C2 ZINC000095362255 277228032 /nfs/dbraw/zinc/22/80/32/277228032.db2.gz SBRDHZUWHQQKAU-QWHCGFSZSA-N 1 0 344.286 2.931 50 0 EFAARO CC(C)(C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000091526364 278271039 /nfs/dbraw/zinc/27/10/39/278271039.db2.gz RNFITXORQKZSKQ-QZTJIDSGSA-N 1 0 344.499 2.517 50 0 EFAARO CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H]([NH2+]C2CCCC2)C1 ZINC000014955300 278398291 /nfs/dbraw/zinc/39/82/91/278398291.db2.gz YTVBZQJZJATHSI-MRXNPFEDSA-N 1 0 330.476 2.859 50 0 EFAARO CCC[C@@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@H]1[NH+](C)C ZINC000095519656 278889564 /nfs/dbraw/zinc/88/95/64/278889564.db2.gz QJUQYZDONZOJPC-RHSMWYFYSA-N 1 0 326.444 2.879 50 0 EFAARO Cc1c2cc(C)ccc2oc1C(=O)N1CCOC12CC[NH+](C)CC2 ZINC000013730023 280262740 /nfs/dbraw/zinc/26/27/40/280262740.db2.gz ZBJPZHBCFUZVKP-UHFFFAOYSA-N 1 0 328.412 2.944 50 0 EFAARO O=c1oc2cc(OC[C@@H](O)C[NH+]3CCCCC3)ccc2c2c1CCC2 ZINC000001522290 280397114 /nfs/dbraw/zinc/39/71/14/280397114.db2.gz IAXURSNRWZLTJH-AWEZNQCLSA-N 1 0 343.423 2.507 50 0 EFAARO Cc1cccc(N2CC[C@@H](CNC(=O)C[N@@H+](C)C3CCCC3)C2)c1 ZINC000244794900 281229152 /nfs/dbraw/zinc/22/91/52/281229152.db2.gz QVXSALRXXNMYPN-KRWDZBQOSA-N 1 0 329.488 2.812 50 0 EFAARO CN(C)[C@H](C(=O)NCC1([NH+]2CCCC2)CCCC1)c1ccc(F)cc1 ZINC000095377339 289348258 /nfs/dbraw/zinc/34/82/58/289348258.db2.gz ISMGZSQONABNIQ-SFHVURJKSA-N 1 0 347.478 2.953 50 0 EFAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(CC[NH3+])cc2)C[C@H]1C(=O)[O-] ZINC000091650398 302155416 /nfs/dbraw/zinc/15/54/16/302155416.db2.gz JQFOEVRGPIRLNA-VQTJNVASSA-N 1 0 338.451 2.796 50 0 EFAARO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)C1 ZINC000333288319 311595384 /nfs/dbraw/zinc/59/53/84/311595384.db2.gz NYQOWKDRXNBBCN-GXTWGEPZSA-N 1 0 342.892 2.689 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2c1ccn2CCOC ZINC000095476998 473211837 /nfs/dbraw/zinc/21/18/37/473211837.db2.gz VMIQPDVORLYURC-HNNXBMFYSA-N 1 0 329.444 2.502 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccn(CCOC)c2c1 ZINC000095478453 473212184 /nfs/dbraw/zinc/21/21/84/473212184.db2.gz NQUJLTNBPLRKTJ-QGZVFWFLSA-N 1 0 329.444 2.502 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCn1ccc2cc(OC)ccc21 ZINC000095477799 473212369 /nfs/dbraw/zinc/21/23/69/473212369.db2.gz XYOWUVSLWNQFOU-INIZCTEOSA-N 1 0 329.444 2.641 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(ccn2CCOC)c1 ZINC000095480764 473212724 /nfs/dbraw/zinc/21/27/24/473212724.db2.gz VANFDDMCCZZQKT-KRWDZBQOSA-N 1 0 329.444 2.502 50 0 EFAARO FC(F)(F)CN1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095499177 473213271 /nfs/dbraw/zinc/21/32/71/473213271.db2.gz NXZYNPNLGVMDIY-AWEZNQCLSA-N 1 0 328.378 2.808 50 0 EFAARO CCCc1nc(C)cc(N2CCC([NH2+]Cc3ccncc3)CC2)n1 ZINC000095506351 473215801 /nfs/dbraw/zinc/21/58/01/473215801.db2.gz KKSNYHIBLCFMRK-UHFFFAOYSA-N 1 0 325.460 2.891 50 0 EFAARO C[C@H]([NH2+]C1CCN(c2ncnc3ccsc32)CC1)c1ccncn1 ZINC000095505880 473216210 /nfs/dbraw/zinc/21/62/10/473216210.db2.gz GQZVLMRKIHDFIV-LBPRGKRZSA-N 1 0 340.456 2.801 50 0 EFAARO Cc1cc[nH+]c(NCCNC(=O)[C@@H]2CCOc3ccccc3C2)c1 ZINC000095509175 473216879 /nfs/dbraw/zinc/21/68/79/473216879.db2.gz DASKUKLKMGJMMZ-MRXNPFEDSA-N 1 0 325.412 2.560 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N2CCC(Cn3cc(C)cn3)CC2)CC1 ZINC000095509669 473217143 /nfs/dbraw/zinc/21/71/43/473217143.db2.gz HOGNRDAJZJGESD-UHFFFAOYSA-N 1 0 346.519 2.942 50 0 EFAARO C[NH+](C)CCCn1ccnc1C1CCN(c2ncccc2F)CC1 ZINC000095512956 473217640 /nfs/dbraw/zinc/21/76/40/473217640.db2.gz MEDMBKIAZBZEKB-UHFFFAOYSA-N 1 0 331.439 2.753 50 0 EFAARO C[N@H+](Cc1ccc2nsnc2c1)C1CCN(c2ncccn2)CC1 ZINC000095512379 473217803 /nfs/dbraw/zinc/21/78/03/473217803.db2.gz SKRQQNDHYRYNLF-UHFFFAOYSA-N 1 0 340.456 2.582 50 0 EFAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2ncccc2F)C1 ZINC000095512715 473217943 /nfs/dbraw/zinc/21/79/43/473217943.db2.gz IAMBVESDPADCPE-HNNXBMFYSA-N 1 0 331.439 2.753 50 0 EFAARO Cc1cc(C)nc(NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)n1 ZINC000082091915 473285482 /nfs/dbraw/zinc/28/54/82/473285482.db2.gz DXAATWQZMRAZBE-UHFFFAOYSA-N 1 0 328.464 2.764 50 0 EFAARO CC(C)Cc1cc(C(=O)N(C)CCC[NH+]2CCCCCC2)n(C)n1 ZINC000082087869 473286106 /nfs/dbraw/zinc/28/61/06/473286106.db2.gz SFLRMAHYZKCPQC-UHFFFAOYSA-N 1 0 334.508 2.957 50 0 EFAARO Cn1nc(C(=O)N2CCCC[C@H]([NH+](C)C)C2)cc1-c1cccs1 ZINC000082097845 473287082 /nfs/dbraw/zinc/28/70/82/473287082.db2.gz AXIUSRQWAPIJJB-ZDUSSCGKSA-N 1 0 332.473 2.705 50 0 EFAARO Cc1ccc(C[NH+]2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)o1 ZINC000082099696 473289272 /nfs/dbraw/zinc/28/92/72/473289272.db2.gz JXIPMGNQCXVPAK-UHFFFAOYSA-N 1 0 343.475 2.956 50 0 EFAARO C[C@@H](C(=O)N1CCN(c2ccccc2)C(=O)C1)[N@H+](C)C1CCCCC1 ZINC000082108504 473291042 /nfs/dbraw/zinc/29/10/42/473291042.db2.gz LKPBBDUPMKHESN-INIZCTEOSA-N 1 0 343.471 2.515 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000082115412 473291488 /nfs/dbraw/zinc/29/14/88/473291488.db2.gz HKPHPKKCJYZMOO-UHFFFAOYSA-N 1 0 338.455 2.809 50 0 EFAARO Cn1ncc(N2CC[C@@H](C[NH2+]C3CC(C)(C)CC(C)(C)C3)C2)cc1=O ZINC000082120673 473292373 /nfs/dbraw/zinc/29/23/73/473292373.db2.gz WXXPWOVOKWXJDR-HNNXBMFYSA-N 1 0 346.519 2.801 50 0 EFAARO CCc1ccccc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082121984 473292626 /nfs/dbraw/zinc/29/26/26/473292626.db2.gz BDXPHKBMPFRCBA-NRFANRHFSA-N 1 0 344.499 2.836 50 0 EFAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)[C@@H](c1ccccc1)C1CCCC1 ZINC000082136719 473293820 /nfs/dbraw/zinc/29/38/20/473293820.db2.gz YUKVTUMAVDUTGV-IBGZPJMESA-N 1 0 338.455 2.577 50 0 EFAARO CCCc1cncnc1NCc1cc2n(n1)CCC[N@@H+](CCC)C2 ZINC000082133659 473294080 /nfs/dbraw/zinc/29/40/80/473294080.db2.gz DCLHQOFDAGMKDV-UHFFFAOYSA-N 1 0 328.464 2.853 50 0 EFAARO O=C1C[C@]2(CC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)C(=O)N1 ZINC000082135009 473294449 /nfs/dbraw/zinc/29/44/49/473294449.db2.gz BQHIRDATTHDMNX-SFHVURJKSA-N 1 0 326.421 2.654 50 0 EFAARO Cc1[nH]ccc1C(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000082137768 473295695 /nfs/dbraw/zinc/29/56/95/473295695.db2.gz XTJSBJJANSKEFA-UHFFFAOYSA-N 1 0 341.459 2.598 50 0 EFAARO Cc1nccn1[C@H](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000082161278 473296854 /nfs/dbraw/zinc/29/68/54/473296854.db2.gz DGIOMEZVSNFYMF-MRXNPFEDSA-N 1 0 341.459 2.503 50 0 EFAARO C[N@@H+]1CCCN(C(=O)[C@H](Cc2ccc(O)cc2)c2ccccc2)CC1 ZINC000096137217 473311856 /nfs/dbraw/zinc/31/18/56/473311856.db2.gz HSKAEQAVZVYSCC-HXUWFJFHSA-N 1 0 338.451 2.883 50 0 EFAARO Cc1nc(-c2nc([C@H]3C[NH2+]CCO3)n(C3CCCCC3)n2)cs1 ZINC000096140349 473312497 /nfs/dbraw/zinc/31/24/97/473312497.db2.gz ZVDQZQZOPURYJE-CQSZACIVSA-N 1 0 333.461 2.876 50 0 EFAARO CCCCn1nc(CC2CC[NH+](C)CC2)nc1CN1C[C@@H]2CC[C@H]1C2 ZINC000096139737 473312986 /nfs/dbraw/zinc/31/29/86/473312986.db2.gz LFOSGXITFVMFAA-MSOLQXFVSA-N 1 0 345.535 2.947 50 0 EFAARO Cc1cc(NC(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)ccc1F ZINC000096130281 473309852 /nfs/dbraw/zinc/30/98/52/473309852.db2.gz HLVLYWDSPPFTJQ-MRXNPFEDSA-N 1 0 335.423 2.587 50 0 EFAARO CCCc1cc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3)C2)[nH]n1 ZINC000096160277 473319653 /nfs/dbraw/zinc/31/96/53/473319653.db2.gz USTYCWDXCYZIQJ-INIZCTEOSA-N 1 0 326.444 2.582 50 0 EFAARO Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1F ZINC000096148584 473315058 /nfs/dbraw/zinc/31/50/58/473315058.db2.gz ARRICIMQRJBCRC-OAHLLOKOSA-N 1 0 335.423 2.710 50 0 EFAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000096180869 473323709 /nfs/dbraw/zinc/32/37/09/473323709.db2.gz UIWKIPANPAHCIF-LBPRGKRZSA-N 1 0 343.830 2.959 50 0 EFAARO COc1ccccc1CN1CC[N@H+](Cc2cccs2)[C@H](CCO)C1 ZINC000096402904 473378557 /nfs/dbraw/zinc/37/85/57/473378557.db2.gz ZROCGUGVUSBMIB-QGZVFWFLSA-N 1 0 346.496 2.826 50 0 EFAARO Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1 ZINC000000007258 471317171 /nfs/dbraw/zinc/31/71/71/471317171.db2.gz VSPFURGQAYMVAN-UHFFFAOYSA-N 1 0 338.390 2.653 50 0 in-vivo EFAARO CC(C)OC(=O)c1cc2c(cccc2OC[C@H](O)C[NH2+]C(C)(C)C)[nH]1 ZINC000000000127 471317407 /nfs/dbraw/zinc/31/74/07/471317407.db2.gz SJYFDORQYYEJLB-CYBMUJFWSA-N 1 0 348.443 2.861 50 0 in-man EFAARO C[N@H+](CCOC(=O)c1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000000108112 471324238 /nfs/dbraw/zinc/32/42/38/471324238.db2.gz NKLBRRASKVTKIJ-UHFFFAOYSA-N 1 0 327.380 2.747 50 0 EFAARO COc1ccc(-c2c[n+]3cn(Cc4ccccc4)c(C)c3c(=O)[nH]2)cc1 ZINC000000161368 471330369 /nfs/dbraw/zinc/33/03/69/471330369.db2.gz PUPKOBQTEBKXJZ-UHFFFAOYSA-O 1 0 346.410 2.947 50 0 EFAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000000176251 471331023 /nfs/dbraw/zinc/33/10/23/471331023.db2.gz JALAFJZIDKJNRI-LBPRGKRZSA-N 1 0 340.370 2.569 50 0 EFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000000176252 471331701 /nfs/dbraw/zinc/33/17/01/471331701.db2.gz JALAFJZIDKJNRI-GFCCVEGCSA-N 1 0 340.370 2.569 50 0 EFAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000000253827 471339771 /nfs/dbraw/zinc/33/97/71/471339771.db2.gz TUKIUTGWWSDEKX-ZDUSSCGKSA-N 1 0 338.835 2.944 50 0 EFAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000000255077 471341447 /nfs/dbraw/zinc/34/14/47/471341447.db2.gz GXNODABQAGEHTR-UHFFFAOYSA-N 1 0 344.455 2.779 50 0 EFAARO CCC[NH+]1CCC(N2CCN(c3ccc(C(C)=O)cc3)CC2)CC1 ZINC000000280208 471342561 /nfs/dbraw/zinc/34/25/61/471342561.db2.gz PFAWQKLZRQGCNH-UHFFFAOYSA-N 1 0 329.488 2.886 50 0 EFAARO O=S(=O)(N[C@H]1CCCC[C@H]1[NH2+]Cc1ccco1)c1ccccc1 ZINC000000317237 471346996 /nfs/dbraw/zinc/34/69/96/471346996.db2.gz OWODGFDXSCAERM-SJORKVTESA-N 1 0 334.441 2.659 50 0 EFAARO C[C@@H]1CCC[N@@H+](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000000316796 471347052 /nfs/dbraw/zinc/34/70/52/471347052.db2.gz NCKBIZMIBDFKBV-CQSZACIVSA-N 1 0 340.464 2.711 50 0 EFAARO CCOc1ccc(C[NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000000317172 471347117 /nfs/dbraw/zinc/34/71/17/471347117.db2.gz ZDNGDLMCRVXIQW-IBGZPJMESA-N 1 0 346.471 2.593 50 0 EFAARO COc1ccc(C(=O)N2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1OC ZINC000000783096 471376171 /nfs/dbraw/zinc/37/61/71/471376171.db2.gz VWEOIYVDDXSYRO-INIZCTEOSA-N 1 0 344.455 2.818 50 0 EFAARO COc1cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)ccc1O ZINC000000819211 471377896 /nfs/dbraw/zinc/37/78/96/471377896.db2.gz RZCGOZFZSZDJDF-HNNXBMFYSA-N 1 0 346.471 2.871 50 0 EFAARO C[NH+]1CCN(c2ccccc2NC(=O)c2c(F)cccc2F)CC1 ZINC000001401289 471389682 /nfs/dbraw/zinc/38/96/82/471389682.db2.gz BXRFUKYNKXMEFK-UHFFFAOYSA-N 1 0 331.366 2.969 50 0 EFAARO COc1ccc(CC[NH2+]C[C@H](O)COc2cccc(C)c2)cc1OC ZINC000001542891 471393945 /nfs/dbraw/zinc/39/39/45/471393945.db2.gz HXLAFSUPPDYFEO-KRWDZBQOSA-N 1 0 345.439 2.584 50 0 world EFAARO CN(C)CC[C@@H]1c2ccccc2[C@@H](O)c2ccccc2S1(=O)=O ZINC000002014999 471400307 /nfs/dbraw/zinc/40/03/07/471400307.db2.gz DKQATDQETUTSSG-QZTJIDSGSA-N 1 0 331.437 2.548 50 0 EFAARO [NH3+]CCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002379502 471406500 /nfs/dbraw/zinc/40/65/00/471406500.db2.gz STVKKYSKVNCQJU-UHFFFAOYSA-N 1 0 326.396 2.500 50 0 EFAARO COc1cc(C[NH2+]CCc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000002470877 471408815 /nfs/dbraw/zinc/40/88/15/471408815.db2.gz VSAWFRIBNLUSOE-UHFFFAOYSA-N 1 0 345.395 2.773 50 0 biogenic EFAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000002621379 471412513 /nfs/dbraw/zinc/41/25/13/471412513.db2.gz MPUWVYOSMLOBGW-KRWDZBQOSA-N 1 0 336.391 2.826 50 0 EFAARO CC[NH+](CC)C[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 ZINC000002780775 471421450 /nfs/dbraw/zinc/42/14/50/471421450.db2.gz IDYWNHWQGPSBCW-LLVKDONJSA-N 1 0 346.397 2.626 50 0 EFAARO COc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)c(OC)c1OC ZINC000002901651 471427990 /nfs/dbraw/zinc/42/79/90/471427990.db2.gz HPRLKTKQTHQOAU-UHFFFAOYSA-N 1 0 331.368 2.731 50 0 EFAARO COc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000004450266 471465755 /nfs/dbraw/zinc/46/57/55/471465755.db2.gz HDZBVPRSLNUJBA-UHFFFAOYSA-N 1 0 325.412 2.699 50 0 EFAARO COCCn1cc(NC(=O)N(C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000005266237 471495883 /nfs/dbraw/zinc/49/58/83/471495883.db2.gz XETRWOVQIAQOCB-UHFFFAOYSA-N 1 0 344.459 2.846 50 0 EFAARO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1 ZINC000005450924 471506124 /nfs/dbraw/zinc/50/61/24/471506124.db2.gz RMFPRAGEMVRFJW-GOSISDBHSA-N 1 0 333.391 2.632 50 0 EFAARO C[C@@H](C[NH+]1CCC(C)CC1)NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000005807994 471521852 /nfs/dbraw/zinc/52/18/52/471521852.db2.gz BPHVHGCZTFZMLJ-AWEZNQCLSA-N 1 0 349.500 2.865 50 0 EFAARO C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000006002475 471529476 /nfs/dbraw/zinc/52/94/76/471529476.db2.gz PPQZABOURJVKNI-IEBWSBKVSA-N 1 0 331.362 2.987 50 0 in-man EFAARO CCn1ccc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000006700287 471560526 /nfs/dbraw/zinc/56/05/26/471560526.db2.gz BINBKZHTRDIWNW-UHFFFAOYSA-N 1 0 342.487 2.630 50 0 EFAARO O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCC[NH+]1CCCCC1 ZINC000006925604 471578251 /nfs/dbraw/zinc/57/82/51/471578251.db2.gz BQHABTMXQAVHLG-UHFFFAOYSA-N 1 0 349.784 2.898 50 0 EFAARO COc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000007105305 471591709 /nfs/dbraw/zinc/59/17/09/471591709.db2.gz ZBJAXFBJZQOMBR-UHFFFAOYSA-N 1 0 339.439 2.628 50 0 EFAARO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Br)c1OC ZINC000008469832 471689651 /nfs/dbraw/zinc/68/96/51/471689651.db2.gz OQYJACFNERQIFB-LLVKDONJSA-N 1 0 330.222 2.735 50 0 EFAARO CC(=O)Nc1cccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1 ZINC000011754645 471758796 /nfs/dbraw/zinc/75/87/96/471758796.db2.gz DXHAXLMEMKWHCC-KRWDZBQOSA-N 1 0 336.395 2.635 50 0 EFAARO CC(=O)CCC(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000012091016 471764224 /nfs/dbraw/zinc/76/42/24/471764224.db2.gz FTHZHHPGXKKEBX-LJQANCHMSA-N 1 0 330.472 2.769 50 0 EFAARO COc1nc2ccccc2cc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000012297774 471770770 /nfs/dbraw/zinc/77/07/70/471770770.db2.gz QWICOQHDVNAIEO-KRWDZBQOSA-N 1 0 349.438 2.792 50 0 EFAARO CC[NH+](CC)CCOC(=O)C[C@](C)(O)[C@H]1CCO[C@@](C)(CC)C1 ZINC000012658451 471789382 /nfs/dbraw/zinc/78/93/82/471789382.db2.gz NJVWNHTWZNLWLA-SZMVWBNQSA-N 1 0 329.481 2.608 50 0 biogenic EFAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)CC1 ZINC000012705074 471790203 /nfs/dbraw/zinc/79/02/03/471790203.db2.gz UAIKJJVJIHFDTH-SFHVURJKSA-N 1 0 333.520 2.799 50 0 EFAARO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](CCCn2cccn2)C1 ZINC000012710827 471790309 /nfs/dbraw/zinc/79/03/09/471790309.db2.gz AXIAILJWCXPXFD-LJQANCHMSA-N 1 0 349.425 2.869 50 0 EFAARO COc1ccc(C(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)c(OC)c1 ZINC000012701824 471790411 /nfs/dbraw/zinc/79/04/11/471790411.db2.gz ACWKVZRRZMJEOA-AWEZNQCLSA-N 1 0 333.428 2.778 50 0 EFAARO COCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012715824 471791380 /nfs/dbraw/zinc/79/13/80/471791380.db2.gz CMSLLNPJULFVEX-IBGZPJMESA-N 1 0 334.435 2.677 50 0 EFAARO CC(C)(C)CN1CCC[C@]2(CC[N@H+](Cc3ccc(CO)o3)C2)C1=O ZINC000012713527 471791920 /nfs/dbraw/zinc/79/19/20/471791920.db2.gz SKSSHWUFGXWLPY-LJQANCHMSA-N 1 0 334.460 2.633 50 0 EFAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3cn(C)nc3C)C2)c1 ZINC000012711153 471792093 /nfs/dbraw/zinc/79/20/93/471792093.db2.gz DNMBIYAEHHXMOT-HXUWFJFHSA-N 1 0 343.471 2.554 50 0 EFAARO COc1ccc(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000013011267 471812030 /nfs/dbraw/zinc/81/20/30/471812030.db2.gz CXCZJXQMGGJQPF-OAHLLOKOSA-N 1 0 348.468 2.727 50 0 EFAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccno3)nc21 ZINC000013596090 471834424 /nfs/dbraw/zinc/83/44/24/471834424.db2.gz KWZCTALOXNHKBG-UHFFFAOYSA-N 1 0 346.412 2.501 50 0 EFAARO COc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000013669777 471837360 /nfs/dbraw/zinc/83/73/60/471837360.db2.gz HWAGRTXGUAYNPA-GJZGRUSLSA-N 1 0 334.460 2.802 50 0 EFAARO CCOc1cc(C[NH2+]C)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717715 471841535 /nfs/dbraw/zinc/84/15/35/471841535.db2.gz KIVPSIBIRNFMBT-UHFFFAOYSA-N 1 0 325.372 2.573 50 0 EFAARO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)s1 ZINC000014538157 471874116 /nfs/dbraw/zinc/87/41/16/471874116.db2.gz QCOMDBXGDTYMIY-UHFFFAOYSA-N 1 0 349.500 2.941 50 0 EFAARO CC(C)CN1C(=O)N(C)C(=O)C12CC[NH+](C/C=C/c1ccco1)CC2 ZINC000014537568 471874457 /nfs/dbraw/zinc/87/44/57/471874457.db2.gz IODJZAYDSBSEGQ-GQCTYLIASA-N 1 0 345.443 2.677 50 0 EFAARO O=C1N(Cc2ccccc2F)CCC[C@@]1(O)C[NH2+]C1CCCCCC1 ZINC000014949356 471882647 /nfs/dbraw/zinc/88/26/47/471882647.db2.gz IVMHBYFNTJPTRI-HXUWFJFHSA-N 1 0 348.462 2.992 50 0 EFAARO COCCSc1nnc(C2CC[NH+](Cc3ccoc3)CC2)n1C ZINC000014969407 471884231 /nfs/dbraw/zinc/88/42/31/471884231.db2.gz VLINRIVIQGSLIL-UHFFFAOYSA-N 1 0 336.461 2.526 50 0 EFAARO c1ccc(-c2nnc3n2CC[N@@H+](Cc2ccc4c(c2)CCO4)CC3)cc1 ZINC000015003730 471885122 /nfs/dbraw/zinc/88/51/22/471885122.db2.gz UQDMGCISZAZVOU-UHFFFAOYSA-N 1 0 346.434 2.938 50 0 EFAARO C[N@H+](C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O)C1CCCCC1 ZINC000015061895 471887651 /nfs/dbraw/zinc/88/76/51/471887651.db2.gz OWRUKVOHGJXBFG-HXUWFJFHSA-N 1 0 348.462 2.944 50 0 EFAARO CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cn(CC3CCCCC3)nn2)C1 ZINC000015070807 471887731 /nfs/dbraw/zinc/88/77/31/471887731.db2.gz UBQHFJQJTXHCBH-QGZVFWFLSA-N 1 0 347.507 2.662 50 0 EFAARO CCn1cc(C[NH2+][C@@H]2CC(=O)N(Cc3cccc4ccccc43)C2)cn1 ZINC000015073209 471887973 /nfs/dbraw/zinc/88/79/73/471887973.db2.gz MXVPFHRTBVIYAP-LJQANCHMSA-N 1 0 348.450 2.947 50 0 EFAARO Cc1ncoc1C(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000015069675 471888137 /nfs/dbraw/zinc/88/81/37/471888137.db2.gz ZXGWGHUQCNWLKQ-KRWDZBQOSA-N 1 0 327.428 2.810 50 0 EFAARO CSc1ccc(C(=O)N[C@@H]2CCCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000015076986 471888978 /nfs/dbraw/zinc/88/89/78/471888978.db2.gz SFFPWBSMJLHATP-MRXNPFEDSA-N 1 0 347.528 2.697 50 0 EFAARO Cc1cc2c(cc1C)[n+](C[C@@H](O)COC[C@@H]1CC=CCC1)cn2C ZINC000015746000 471916170 /nfs/dbraw/zinc/91/61/70/471916170.db2.gz HLYUHARIZFXDFI-QZTJIDSGSA-N 1 0 329.464 2.816 50 0 EFAARO CCc1cc(C)cc(OC[C@@H](O)C[n+]2cn(C)c3ccccc32)c1 ZINC000015746051 471916216 /nfs/dbraw/zinc/91/62/16/471916216.db2.gz DGCSLHPUZUANTA-KRWDZBQOSA-N 1 0 325.432 2.777 50 0 EFAARO CC[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2Cl)CC1 ZINC000015880879 471920932 /nfs/dbraw/zinc/92/09/32/471920932.db2.gz WUVZLPNSFOGDGB-UHFFFAOYSA-N 1 0 342.834 2.611 50 0 EFAARO O[C@H](COC1CCCC1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000016648214 471946965 /nfs/dbraw/zinc/94/69/65/471946965.db2.gz LJBPCZKJENTWEH-KRWDZBQOSA-N 1 0 338.879 2.782 50 0 EFAARO Cc1ccc(N2CC[NH+](C[C@@H](O)COC3CCCCC3)CC2)cc1 ZINC000019878536 471985685 /nfs/dbraw/zinc/98/56/85/471985685.db2.gz UXUFAUJVKULPJG-LJQANCHMSA-N 1 0 332.488 2.827 50 0 EFAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COC(C)C)CC1 ZINC000019938329 471985738 /nfs/dbraw/zinc/98/57/38/471985738.db2.gz FOICDFLCFWTYPY-INIZCTEOSA-N 1 0 326.868 2.556 50 0 EFAARO Cc1ccc2nc(N3CC[NH+](CCO)CC3)nc(-c3ccccc3)c2c1 ZINC000020057856 471987059 /nfs/dbraw/zinc/98/70/59/471987059.db2.gz XTYOJODICFHKNW-UHFFFAOYSA-N 1 0 348.450 2.720 50 0 EFAARO C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020514583 471990674 /nfs/dbraw/zinc/99/06/74/471990674.db2.gz HVPCHFGWXWDQQT-MRXNPFEDSA-N 1 0 333.451 2.596 50 0 EFAARO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020513071 471991323 /nfs/dbraw/zinc/99/13/23/471991323.db2.gz HLACUMSRMWOVTE-LJQANCHMSA-N 1 0 344.430 2.696 50 0 EFAARO COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC000034925619 471993160 /nfs/dbraw/zinc/99/31/60/471993160.db2.gz DZXFFSGYXRUIDR-OALUTQOASA-N 1 0 330.472 2.926 50 0 EFAARO C[NH+]1CCN([C@H](CNC(=O)Nc2ccccc2)c2ccsc2)CC1 ZINC000022577622 472017260 /nfs/dbraw/zinc/01/72/60/472017260.db2.gz VBBXDMZOGKKIEJ-QGZVFWFLSA-N 1 0 344.484 2.858 50 0 EFAARO COC[C@H]([NH2+]C1CCN(c2cccc(C)c2C)CC1)c1ccnn1C ZINC000067605895 472058042 /nfs/dbraw/zinc/05/80/42/472058042.db2.gz YNQKFTRSTXCZEJ-SFHVURJKSA-N 1 0 342.487 2.983 50 0 EFAARO C[NH+]1CCC(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)CC1 ZINC000067714678 472078579 /nfs/dbraw/zinc/07/85/79/472078579.db2.gz QISLCGMOUXHDGK-UHFFFAOYSA-N 1 0 339.439 2.743 50 0 EFAARO Cc1cccc2[nH]c([C@@H]3CCCN3c3cc(CC[NH3+])nc(C)n3)nc21 ZINC000067741574 472081535 /nfs/dbraw/zinc/08/15/35/472081535.db2.gz CXHQSYSVILNAQB-INIZCTEOSA-N 1 0 336.443 2.812 50 0 EFAARO Cc1nc(CC[NH3+])cc(N2CCc3[nH]c4c(cccc4Cl)c3C2)n1 ZINC000067886370 472105033 /nfs/dbraw/zinc/10/50/33/472105033.db2.gz FNGCXBPEQXHBHQ-UHFFFAOYSA-N 1 0 341.846 2.984 50 0 EFAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@H](C)C[NH3+])CCO2 ZINC000067895077 472106757 /nfs/dbraw/zinc/10/67/57/472106757.db2.gz RBKIZWNPXMKZKK-CQSZACIVSA-N 1 0 340.423 2.683 50 0 EFAARO O=C(c1ccc(C=Cc2n[nH]c3ccccc23)cc1)N1CC[NH2+]CC1 ZINC000043201999 472209540 /nfs/dbraw/zinc/20/95/40/472209540.db2.gz YYLKKYCXAOBSRM-JXMROGBWSA-N 1 0 332.407 2.779 50 0 in-man EFAARO O=C(NCCc1ccccc1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085473231 472252922 /nfs/dbraw/zinc/25/29/22/472252922.db2.gz OPKPXGMOWUCBQW-SFHVURJKSA-N 1 0 347.528 2.842 50 0 EFAARO CC[NH+](CC)CCN1c2ccccc2[C@](NC)(c2ccccc2)C1=O ZINC000044124856 472285363 /nfs/dbraw/zinc/28/53/63/472285363.db2.gz HKMPSYBPCYIFAU-OAQYLSRUSA-N 1 0 337.467 2.838 50 0 EFAARO Cn1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000069454081 472347338 /nfs/dbraw/zinc/34/73/38/472347338.db2.gz PLHQDJNAVFKZIO-MOPGFXCFSA-N 1 0 338.455 2.689 50 0 EFAARO CC1(C)CC(NC(=O)C(=O)Nc2ccc3cc[nH]c3c2)CC(C)(C)[NH2+]1 ZINC000032069467 472411893 /nfs/dbraw/zinc/41/18/93/472411893.db2.gz ZIDJTSVIHNKKHU-UHFFFAOYSA-N 1 0 342.443 2.532 50 0 EFAARO C[C@H](O)C[NH2+]CCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000032541397 472443724 /nfs/dbraw/zinc/44/37/24/472443724.db2.gz UDHQGGMVYMZUNK-NSHDSACASA-N 1 0 326.799 2.799 50 0 EFAARO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000045744832 472452063 /nfs/dbraw/zinc/45/20/63/472452063.db2.gz CJQBTPWSVBVDMB-ZDUSSCGKSA-N 1 0 330.881 2.740 50 0 EFAARO CCn1c2ccccc2nc1C[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000097199472 472475463 /nfs/dbraw/zinc/47/54/63/472475463.db2.gz WLCGWMDUKICYMA-CQSZACIVSA-N 1 0 338.459 2.876 50 0 EFAARO Cc1ccc(NC[C@@H]2CC[N@H+](CCC(=O)NC3CCCC3)C2)nc1 ZINC000097200527 472476898 /nfs/dbraw/zinc/47/68/98/472476898.db2.gz DWMCIPNCNVHROJ-INIZCTEOSA-N 1 0 330.476 2.573 50 0 EFAARO COc1ccc(OC2CCN(C(=O)[C@H]3CCCCC[N@@H+]3C)CC2)cc1 ZINC000077288144 472494450 /nfs/dbraw/zinc/49/44/50/472494450.db2.gz IPEIYMVBIBMERG-LJQANCHMSA-N 1 0 346.471 2.939 50 0 EFAARO COc1ccc(OC)c(CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000077288215 472494817 /nfs/dbraw/zinc/49/48/17/472494817.db2.gz AFQJTIGTJPTQNK-UHFFFAOYSA-N 1 0 346.471 2.723 50 0 EFAARO COCCN1C[C@@]2(CCC[N@H+](Cc3ccccc3OC)C2)CCC1=O ZINC000077298604 472496454 /nfs/dbraw/zinc/49/64/54/472496454.db2.gz BRNAKSKZGSKJLO-FQEVSTJZSA-N 1 0 346.471 2.546 50 0 EFAARO Cc1nn(C)cc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077322225 472502878 /nfs/dbraw/zinc/50/28/78/472502878.db2.gz FWBLLKGRQAXORM-UHFFFAOYSA-N 1 0 340.471 2.509 50 0 EFAARO COc1ccc(/C=C/C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000077322884 472503729 /nfs/dbraw/zinc/50/37/29/472503729.db2.gz RKSYIBDCFITASG-VZSQWMKGSA-N 1 0 330.472 2.895 50 0 EFAARO c1cc2c(ncnc2N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)[nH]1 ZINC000077320694 472504270 /nfs/dbraw/zinc/50/42/70/472504270.db2.gz HRUGNDUAIBODAO-QGZVFWFLSA-N 1 0 333.439 2.637 50 0 EFAARO COCc1cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)ccc1OC ZINC000097694587 472504619 /nfs/dbraw/zinc/50/46/19/472504619.db2.gz MBGGRDLTUYVCFO-LJQANCHMSA-N 1 0 348.487 2.528 50 0 EFAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1cc(F)ccc1-n1cccn1 ZINC000097813689 472507920 /nfs/dbraw/zinc/50/79/20/472507920.db2.gz UKUQWOZEQRKNQS-CQSZACIVSA-N 1 0 325.391 2.864 50 0 EFAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N(C)CCn2ccc3ccccc32)C1 ZINC000097797622 472508095 /nfs/dbraw/zinc/50/80/95/472508095.db2.gz HZAKYGNHZVSUQR-SFHVURJKSA-N 1 0 343.471 2.599 50 0 EFAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000077354748 472511137 /nfs/dbraw/zinc/51/11/37/472511137.db2.gz NMCKNZFJIPTOLP-AWEZNQCLSA-N 1 0 340.370 2.889 50 0 EFAARO Cc1ccnn1CC[N@@H+]1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077377262 472515027 /nfs/dbraw/zinc/51/50/27/472515027.db2.gz MYERKZMUABYWOJ-HXUWFJFHSA-N 1 0 344.503 2.839 50 0 EFAARO O=C(CC[NH+]1CCCC1)N1CCC[C@H](COc2cccc(F)c2)C1 ZINC000077375423 472516106 /nfs/dbraw/zinc/51/61/06/472516106.db2.gz MKZTXEDNVZRLRK-INIZCTEOSA-N 1 0 334.435 2.929 50 0 EFAARO CC(C)n1cc(C(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)cn1 ZINC000077375509 472516135 /nfs/dbraw/zinc/51/61/35/472516135.db2.gz FLYQLHYXFAUEQS-GOSISDBHSA-N 1 0 326.444 2.593 50 0 EFAARO COCCCN1C[C@@]2(CCC[N@H+](Cc3cccc(O)c3)C2)CCC1=O ZINC000077392679 472519137 /nfs/dbraw/zinc/51/91/37/472519137.db2.gz FAGPWELVATUDRP-FQEVSTJZSA-N 1 0 346.471 2.633 50 0 EFAARO Cc1cc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)on1 ZINC000077406981 472522762 /nfs/dbraw/zinc/52/27/62/472522762.db2.gz LEWRNCLZADYQMP-UHFFFAOYSA-N 1 0 329.444 2.710 50 0 EFAARO COc1ccccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928404 472524877 /nfs/dbraw/zinc/52/48/77/472524877.db2.gz CIMXMCORFWUGEO-UHFFFAOYSA-N 1 0 325.412 2.737 50 0 EFAARO O=C(NCCc1ccccc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928892 472525156 /nfs/dbraw/zinc/52/51/56/472525156.db2.gz HSDDLMYXTSSQCN-UHFFFAOYSA-N 1 0 338.455 2.840 50 0 EFAARO CCCc1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)n(C)n1 ZINC000077423906 472525692 /nfs/dbraw/zinc/52/56/92/472525692.db2.gz CZIFDXOPVIPRQI-UHFFFAOYSA-N 1 0 340.471 2.898 50 0 EFAARO COc1ccnc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)c1 ZINC000077456822 472529677 /nfs/dbraw/zinc/52/96/77/472529677.db2.gz ARQZHVIKNNCISY-HXUWFJFHSA-N 1 0 343.471 2.705 50 0 EFAARO O[C@]1(C[NH+]2CCCCC2)CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000077458720 472531209 /nfs/dbraw/zinc/53/12/09/472531209.db2.gz NTODVGPNXMJBAM-HNNXBMFYSA-N 1 0 329.366 2.528 50 0 EFAARO Cn1cc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000077505666 472540477 /nfs/dbraw/zinc/54/04/77/472540477.db2.gz LKDWORPCEUSKBB-GOSISDBHSA-N 1 0 326.444 2.849 50 0 EFAARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000077505306 472541011 /nfs/dbraw/zinc/54/10/11/472541011.db2.gz IHMJGKQANVDKBC-UHFFFAOYSA-N 1 0 345.466 2.878 50 0 EFAARO CC[C@@H]1CN(C(=O)CCc2nc3cc(F)ccc3[nH]2)CC[N@@H+]1C(C)C ZINC000077517915 472544342 /nfs/dbraw/zinc/54/43/42/472544342.db2.gz MRAFFZOQIZLYEE-OAHLLOKOSA-N 1 0 346.450 2.966 50 0 EFAARO CC(C)=CC(=O)NC[C@H]1CC[N@H+](Cc2cc3c(cc2C)OCO3)C1 ZINC000071278781 472545598 /nfs/dbraw/zinc/54/55/98/472545598.db2.gz ALXPKLJPKDPTOU-OAHLLOKOSA-N 1 0 330.428 2.628 50 0 EFAARO C[NH+](C)CCCNc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000071283192 472546211 /nfs/dbraw/zinc/54/62/11/472546211.db2.gz BGBIRRSRWGAIKB-UHFFFAOYSA-N 1 0 336.439 2.808 50 0 EFAARO CC(C)c1nccc(C[N@@H+]2CCC[C@@H](CNC(=O)C3CCC3)C2)n1 ZINC000071315027 472547919 /nfs/dbraw/zinc/54/79/19/472547919.db2.gz ASRRFIOEMKXCIE-HNNXBMFYSA-N 1 0 330.476 2.728 50 0 EFAARO CCOCC[NH+]1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000077534921 472549416 /nfs/dbraw/zinc/54/94/16/472549416.db2.gz VBLJQQGHHZQULE-UHFFFAOYSA-N 1 0 332.444 2.552 50 0 EFAARO OCC(CO)[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071415738 472550582 /nfs/dbraw/zinc/55/05/82/472550582.db2.gz XEESFPXKPMSJRC-CYBMUJFWSA-N 1 0 331.378 2.703 50 0 EFAARO CC[C@@H]1CN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)CC[NH2+]1 ZINC000071681222 472554779 /nfs/dbraw/zinc/55/47/79/472554779.db2.gz DCTDBJWPDSSRQL-CQSZACIVSA-N 1 0 345.443 2.851 50 0 EFAARO CC(C)[C@H]1C[N@H+](Cc2cnn(C)c2C2CC2)CCC(=O)N1CC1CC1 ZINC000071730236 472556912 /nfs/dbraw/zinc/55/69/12/472556912.db2.gz AJSBTPQFDAEBBU-GOSISDBHSA-N 1 0 344.503 2.766 50 0 EFAARO CCc1[nH]c2ccc(CNC(=O)C[C@@H](C)[NH+]3CCOCC3)cc2c1C ZINC000071754158 472559554 /nfs/dbraw/zinc/55/95/54/472559554.db2.gz XGJFGOSZHMFJEC-CQSZACIVSA-N 1 0 343.471 2.766 50 0 EFAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCC2(CCCO2)CC1 ZINC000071759319 472561075 /nfs/dbraw/zinc/56/10/75/472561075.db2.gz JTRLHXICFYQPOL-SFHVURJKSA-N 1 0 328.456 2.648 50 0 EFAARO CC(C)[C@@H]1CN(CC(=O)NC2CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071763326 472561548 /nfs/dbraw/zinc/56/15/48/472561548.db2.gz GBYICJXNZHCZDS-IBGZPJMESA-N 1 0 347.478 2.637 50 0 EFAARO OC[C@H]1CCC[N@@H+](C2CCN(c3nccc(C4CCCC4)n3)CC2)C1 ZINC000071763601 472563152 /nfs/dbraw/zinc/56/31/52/472563152.db2.gz LZCZKFYCXCMLQY-INIZCTEOSA-N 1 0 344.503 2.807 50 0 EFAARO Cc1cc2nc(C)cc(NC3CC[NH+](Cc4cccnc4)CC3)n2n1 ZINC000072410331 472663526 /nfs/dbraw/zinc/66/35/26/472663526.db2.gz LUTQEFCFPXPDJB-UHFFFAOYSA-N 1 0 336.443 2.818 50 0 EFAARO COCCCN1C[C@]2(CCCN(c3cc[nH+]c(C)c3)C2)CCC1=O ZINC000072420333 472663559 /nfs/dbraw/zinc/66/35/59/472663559.db2.gz NHPRTHWAIDSTQU-LJQANCHMSA-N 1 0 331.460 2.636 50 0 EFAARO COc1cc(OC)cc([C@@H]2[NH2+]CC[C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000061718090 472714603 /nfs/dbraw/zinc/71/46/03/472714603.db2.gz IIMARLGIJHJGPN-PKOBYXMFSA-N 1 0 342.370 2.767 50 0 EFAARO Cc1nnc(CC[NH2+]Cc2cc(=O)c3cccc(Cl)c3[nH]2)s1 ZINC000091326236 472757832 /nfs/dbraw/zinc/75/78/32/472757832.db2.gz LEFUCMGLJSBMSO-UHFFFAOYSA-N 1 0 334.832 2.674 50 0 EFAARO CC[C@H](O)Cn1nc(CC2CC[NH+](C)CC2)nc1-c1ccccc1F ZINC000091350468 472758636 /nfs/dbraw/zinc/75/86/36/472758636.db2.gz QBXJLAXDGXBYLY-HNNXBMFYSA-N 1 0 346.450 2.739 50 0 EFAARO CSCc1noc(CN2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)n1 ZINC000091350464 472759003 /nfs/dbraw/zinc/75/90/03/472759003.db2.gz HVQSUJGYHXFLFW-LSDHHAIUSA-N 1 0 336.505 2.795 50 0 EFAARO C[NH+](C)C[C@@H]1CN(Cc2ccc(OC3CCCC3)cc2)C[C@@H]1CO ZINC000091381473 472761843 /nfs/dbraw/zinc/76/18/43/472761843.db2.gz GSKPPLZWTPGXLU-QZTJIDSGSA-N 1 0 332.488 2.610 50 0 EFAARO Cc1[nH+]c(N)nc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1C ZINC000091575482 472777322 /nfs/dbraw/zinc/77/73/22/472777322.db2.gz OCZUTJJRRXAFST-GFCCVEGCSA-N 1 0 331.807 2.546 50 0 EFAARO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C[C@@]1(O)C1CCC1 ZINC000091575336 472778402 /nfs/dbraw/zinc/77/84/02/472778402.db2.gz BUPIJJRJXFKALK-QRWLVFNGSA-N 1 0 346.471 2.501 50 0 EFAARO CC[C@@]1(CO)CCCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000091663484 472790997 /nfs/dbraw/zinc/79/09/97/472790997.db2.gz XSVWAKODROUTKY-OAQYLSRUSA-N 1 0 344.499 2.877 50 0 EFAARO Cc1ccc(-c2nnc(NC(=O)NCC3CC[NH2+]CC3)s2)cc1 ZINC000063855942 472821514 /nfs/dbraw/zinc/82/15/14/472821514.db2.gz HNFONLZPJJPKMK-UHFFFAOYSA-N 1 0 331.445 2.635 50 0 EFAARO Cc1ccc2c(c1)c(CNC(=O)CC[C@@H]1CCC[N@H+](C)C1)nn2C ZINC000092020199 472844445 /nfs/dbraw/zinc/84/44/45/472844445.db2.gz XGWBHSPTCXGAFB-HNNXBMFYSA-N 1 0 328.460 2.620 50 0 EFAARO COCC[C@@]1(CO)CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000092022660 472845213 /nfs/dbraw/zinc/84/52/13/472845213.db2.gz BEVGFJBQGPNJHO-SFHVURJKSA-N 1 0 325.424 2.706 50 0 EFAARO C[N@H+](CCC(=O)NC1CCCCC1)C[C@H]1COc2ccccc2O1 ZINC000065373749 472928112 /nfs/dbraw/zinc/92/81/12/472928112.db2.gz RWDKUEUUDMSRTE-INIZCTEOSA-N 1 0 332.444 2.597 50 0 EFAARO CC(C)Nc1ncc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)cn1 ZINC000065373530 472928690 /nfs/dbraw/zinc/92/86/90/472928690.db2.gz DIFZVFPGWCIQOR-ZWKOTPCHSA-N 1 0 344.434 2.786 50 0 EFAARO COc1ccc2c(c1)C[C@H]([NH2+]Cc1nc(-c3cccnc3)no1)CC2 ZINC000065371000 472928717 /nfs/dbraw/zinc/92/87/17/472928717.db2.gz SBFQHIWFSPPDPV-MRXNPFEDSA-N 1 0 336.395 2.787 50 0 EFAARO Cc1ccc(C)c(NC(=O)CC[NH2+][C@H](C)C(=O)Nc2nccs2)c1 ZINC000065376116 472929279 /nfs/dbraw/zinc/92/92/79/472929279.db2.gz YZMBVMBKGBSTAL-CYBMUJFWSA-N 1 0 346.456 2.705 50 0 EFAARO CCc1cc(N2CCC3(COC(=O)O3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065387256 472930889 /nfs/dbraw/zinc/93/08/89/472930889.db2.gz XIKPCJVBHDISSX-UHFFFAOYSA-N 1 0 346.431 2.535 50 0 EFAARO CC[NH+](CC)Cc1cc([C@H]2CC(=O)Nc3n[nH]cc32)ccc1OC ZINC000065396316 472932693 /nfs/dbraw/zinc/93/26/93/472932693.db2.gz WKIUCHYZXKTAJX-CQSZACIVSA-N 1 0 328.416 2.734 50 0 EFAARO O=C(C[C@H]1CCc2ccccc21)NC1CC[NH+](C2CCOCC2)CC1 ZINC000065406961 472935176 /nfs/dbraw/zinc/93/51/76/472935176.db2.gz NYEWTSOCGPFOCY-QGZVFWFLSA-N 1 0 342.483 2.866 50 0 EFAARO CCCCc1ccc(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000065406382 472935465 /nfs/dbraw/zinc/93/54/65/472935465.db2.gz FEHNWUHAPOGDIX-UHFFFAOYSA-N 1 0 331.460 2.555 50 0 EFAARO Cc1cc(NCC[N@@H+]2CCC[C@H](CO)C2)nc(-c2ccccc2)n1 ZINC000065409773 472936540 /nfs/dbraw/zinc/93/65/40/472936540.db2.gz RKGMXFOPHZMKFN-INIZCTEOSA-N 1 0 326.444 2.568 50 0 EFAARO CCc1c(C)sc2ncnc(N3CC[NH+](C4CCOCC4)CC3)c12 ZINC000065424512 472939627 /nfs/dbraw/zinc/93/96/27/472939627.db2.gz MCLCFFLLWOOXGV-UHFFFAOYSA-N 1 0 346.500 2.863 50 0 EFAARO CC1(C)C[C@@H](C[NH+]2CCN(C3Cc4ccccc4C3)CC2)CCO1 ZINC000065423912 472939954 /nfs/dbraw/zinc/93/99/54/472939954.db2.gz ASFOHLABEWKFRU-KRWDZBQOSA-N 1 0 328.500 2.977 50 0 EFAARO CC[C@H](Nc1ncnc2sc3c(c21)CC[NH2+]C3)c1ccnn1C ZINC000065427058 472940104 /nfs/dbraw/zinc/94/01/04/472940104.db2.gz PBEBLQFORKWAON-NSHDSACASA-N 1 0 328.445 2.634 50 0 EFAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1ccc(Br)s1)CC2 ZINC000065463343 472948070 /nfs/dbraw/zinc/94/80/70/472948070.db2.gz NCYDYGWBLBRBGL-VIFPVBQESA-N 1 0 327.251 2.515 50 0 EFAARO Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000049420903 472949160 /nfs/dbraw/zinc/94/91/60/472949160.db2.gz PKFHKUHZGBZTKR-GOSISDBHSA-N 1 0 340.423 2.579 50 0 EFAARO Cn1ncc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)c1C1CC1 ZINC000065490049 472954716 /nfs/dbraw/zinc/95/47/16/472954716.db2.gz JPXWIFIAMHAEEW-ZWKOTPCHSA-N 1 0 329.419 2.787 50 0 EFAARO CN(Cc1ccc2nsnc2c1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000065495062 472955275 /nfs/dbraw/zinc/95/52/75/472955275.db2.gz YKWQURMOFXNLJR-AWEZNQCLSA-N 1 0 332.473 2.914 50 0 EFAARO COc1c(C[NH2+]CC2(c3ccccc3C)CCOCC2)c(C)nn1C ZINC000065496432 472957591 /nfs/dbraw/zinc/95/75/91/472957591.db2.gz VOXLNPZMFPFLLK-UHFFFAOYSA-N 1 0 343.471 2.884 50 0 EFAARO Cc1cc(N[C@@H](c2cccnc2)C(C)C)nc(N2CCOCC2)[nH+]1 ZINC000065504012 472958515 /nfs/dbraw/zinc/95/85/15/472958515.db2.gz YLDRGZJPXOIREN-QGZVFWFLSA-N 1 0 327.432 2.826 50 0 EFAARO O=C(Nc1ccccc1C(=O)n1cnc2ccccc21)C1CC[NH2+]CC1 ZINC000065532431 472967810 /nfs/dbraw/zinc/96/78/10/472967810.db2.gz KIJJSFZCVDZSBI-UHFFFAOYSA-N 1 0 348.406 2.663 50 0 EFAARO CCc1nc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nn1C ZINC000065532571 472968546 /nfs/dbraw/zinc/96/85/46/472968546.db2.gz PRVKPNWTBZXQFH-CQSZACIVSA-N 1 0 341.459 2.862 50 0 EFAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccc(Cl)s1 ZINC000065608331 472988417 /nfs/dbraw/zinc/98/84/17/472988417.db2.gz FBHJOOLUTYVALG-UHFFFAOYSA-N 1 0 340.880 2.570 50 0 EFAARO O[C@H]1CN(Cc2ccccc2)CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000108258498 473009291 /nfs/dbraw/zinc/00/92/91/473009291.db2.gz XKVGKWLQTQTKBW-FQEVSTJZSA-N 1 0 335.451 2.847 50 0 EFAARO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000052593401 473130172 /nfs/dbraw/zinc/13/01/72/473130172.db2.gz SVOLRNHYSVUXCJ-SFHVURJKSA-N 1 0 345.487 2.862 50 0 EFAARO Cn1c(CCCNC(=O)CC[C@H]2CCCC[N@@H+]2C)nc2ccccc21 ZINC000095373071 473192412 /nfs/dbraw/zinc/19/24/12/473192412.db2.gz BLWYJMBJIPEGQK-MRXNPFEDSA-N 1 0 342.487 2.887 50 0 EFAARO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCOC2(CCCC2)C1 ZINC000151043618 473400617 /nfs/dbraw/zinc/40/06/17/473400617.db2.gz OYUVCAISZZNQLV-SFHVURJKSA-N 1 0 328.456 2.823 50 0 EFAARO C[N@@H+]1[C@H](CC(=O)c2ccccc2)C[C@@H](O)[C@@H]1CC(=O)c1ccccc1 ZINC000169615852 473547681 /nfs/dbraw/zinc/54/76/81/473547681.db2.gz CHZLLIURHLNVQA-LVCYWYKZSA-N 1 0 337.419 2.966 50 0 EFAARO Cn1nc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000170613326 473566060 /nfs/dbraw/zinc/56/60/60/473566060.db2.gz BVNOCQFUEAJMIL-HOCLYGCPSA-N 1 0 326.444 2.568 50 0 EFAARO Cc1ccoc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192218356 473650006 /nfs/dbraw/zinc/65/00/06/473650006.db2.gz LYHJVLFMPNTIRV-QGZVFWFLSA-N 1 0 328.412 2.609 50 0 EFAARO C[N@@H+]1CC[C@H]2CN(Cc3cnc(SCc4ccccc4)nc3)C[C@H]21 ZINC000215678292 474138971 /nfs/dbraw/zinc/13/89/71/474138971.db2.gz GMEXKWTZKBGYCG-ZWKOTPCHSA-N 1 0 340.496 2.905 50 0 EFAARO Cc1[nH]c2ccccc2c1CCNC(=O)CN(C)Cc1cccnc1 ZINC000215935498 474139778 /nfs/dbraw/zinc/13/97/78/474139778.db2.gz JEDPFBKYFOYLOH-UHFFFAOYSA-N 1 0 336.439 2.662 50 0 EFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000220168127 474152680 /nfs/dbraw/zinc/15/26/80/474152680.db2.gz DOEPNKFCIMPCFW-SFHVURJKSA-N 1 0 344.842 2.548 50 0 EFAARO Cc1ccc(CCC(=O)N2CCC(CO)(C[NH+]3CCCC3)CC2)cc1 ZINC000220438767 474154677 /nfs/dbraw/zinc/15/46/77/474154677.db2.gz QQWUBIIBGXRPHV-UHFFFAOYSA-N 1 0 344.499 2.625 50 0 EFAARO O=C(C[NH+]1CCCCCC1)NCCOc1cccc2cccnc21 ZINC000220658272 474157486 /nfs/dbraw/zinc/15/74/86/474157486.db2.gz QGEFFPFWJZEHDW-UHFFFAOYSA-N 1 0 327.428 2.606 50 0 EFAARO COCC[NH+]1CCC(CN(C)C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000220756151 474157870 /nfs/dbraw/zinc/15/78/70/474157870.db2.gz SZKXZBXAMIRWTG-UHFFFAOYSA-N 1 0 329.444 2.598 50 0 EFAARO Cc1nccc(C2CCN(C(=O)CC[C@H](C)[NH+]3CCCC3)CC2)n1 ZINC000221296051 474161011 /nfs/dbraw/zinc/16/10/11/474161011.db2.gz BJEMSLUZYPIXGW-HNNXBMFYSA-N 1 0 330.476 2.756 50 0 EFAARO CC(C)Oc1cccc(CNc2cc(C3CC([NH3+])C3)nc(N)n2)c1 ZINC000222240845 474165998 /nfs/dbraw/zinc/16/59/98/474165998.db2.gz BZGYFEHBVTWHJZ-UHFFFAOYSA-N 1 0 327.432 2.663 50 0 EFAARO CCN(CCNc1cc(C2CC([NH3+])C2)nc(N)n1)c1cccc(C)c1 ZINC000222238897 474166203 /nfs/dbraw/zinc/16/62/03/474166203.db2.gz ATQRFSINUBTNDG-UHFFFAOYSA-N 1 0 340.475 2.510 50 0 EFAARO Cc1n[nH]cc1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000223085416 474178628 /nfs/dbraw/zinc/17/86/28/474178628.db2.gz KIUHGAVYEKCFDU-SFHVURJKSA-N 1 0 326.444 2.731 50 0 EFAARO Cn1c(CN2CCC3(C=Cc4ccccc43)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000223345323 474184076 /nfs/dbraw/zinc/18/40/76/474184076.db2.gz BPMJHPAPMFWXOL-CALCHBBNSA-N 1 0 349.482 2.580 50 0 EFAARO Cc1nccn1CC[C@H](NC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC000223447348 474185015 /nfs/dbraw/zinc/18/50/15/474185015.db2.gz SYVIBXLRSXRNQC-SFHVURJKSA-N 1 0 326.444 2.535 50 0 EFAARO CC(C)[N@H+](C)CC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000223479392 474185109 /nfs/dbraw/zinc/18/51/09/474185109.db2.gz GYMRBIOKJGYCMZ-MKJPBZQASA-N 1 0 341.455 2.503 50 0 EFAARO Cn1c(CCCNc2cc(C3CC([NH3+])C3)ncn2)nc2ccccc21 ZINC000223760839 474189916 /nfs/dbraw/zinc/18/99/16/474189916.db2.gz ATFGCXSZLNOCNB-UHFFFAOYSA-N 1 0 336.443 2.613 50 0 EFAARO Cc1cccc([C@@H](C(=O)NCCNc2cc[nH+]cc2C)N(C)C)c1 ZINC000223860606 474191395 /nfs/dbraw/zinc/19/13/95/474191395.db2.gz NLOBQRRNXYDIOP-SFHVURJKSA-N 1 0 326.444 2.529 50 0 EFAARO O[C@H](C[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccc(F)c(F)c1 ZINC000225343272 474206923 /nfs/dbraw/zinc/20/69/23/474206923.db2.gz GFEUQYIYJZZJDC-CXAGYDPISA-N 1 0 333.382 2.827 50 0 EFAARO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH+]1CCCC1 ZINC000247813686 474213380 /nfs/dbraw/zinc/21/33/80/474213380.db2.gz DZXFFSGYXRUIDR-RTBURBONSA-N 1 0 330.472 2.926 50 0 EFAARO O=C(NCCCc1ccc(O)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000265444339 474215469 /nfs/dbraw/zinc/21/54/69/474215469.db2.gz LSFANMOKLUBEGI-QGZVFWFLSA-N 1 0 331.460 2.595 50 0 EFAARO O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCCC1 ZINC000229220045 474250882 /nfs/dbraw/zinc/25/08/82/474250882.db2.gz KEIWJERWWKHGBJ-MJGOQNOKSA-N 1 0 338.455 2.953 50 0 EFAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCC2(CCOCC2)CC1 ZINC000230481040 474261089 /nfs/dbraw/zinc/26/10/89/474261089.db2.gz ASTSLFCONZTWSC-IBGZPJMESA-N 1 0 342.483 2.895 50 0 EFAARO CC[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccs1 ZINC000176253858 474421233 /nfs/dbraw/zinc/42/12/33/474421233.db2.gz PUHGHAPZXXFOTQ-HNNXBMFYSA-N 1 0 337.489 2.705 50 0 EFAARO O=C(C[N@@H+]1CCCC[C@H]1CCn1cccn1)NCc1cccs1 ZINC000240163584 474547981 /nfs/dbraw/zinc/54/79/81/474547981.db2.gz JCCBGQTZLYSKPP-HNNXBMFYSA-N 1 0 332.473 2.506 50 0 EFAARO Cc1noc(C)c1C(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000243956754 474564071 /nfs/dbraw/zinc/56/40/71/474564071.db2.gz CDLKMSXHCQDLMJ-MRXNPFEDSA-N 1 0 327.428 2.819 50 0 EFAARO CCC1=NO[C@@H](C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)C1 ZINC000244724167 474564502 /nfs/dbraw/zinc/56/45/02/474564502.db2.gz MOZAQIWFVWWGIF-LJQANCHMSA-N 1 0 343.471 2.912 50 0 EFAARO c1cn(CCCOc2cccc(CN3[C@@H]4CC[C@H]3C[NH2+]CC4)c2)cn1 ZINC000244724203 474565359 /nfs/dbraw/zinc/56/53/59/474565359.db2.gz MPSNCRSKKIBYIE-MOPGFXCFSA-N 1 0 340.471 2.679 50 0 EFAARO Cc1cc2ccccc2n1CCNc1cc([C@H]2C[C@H]([NH3+])C2)nc(N)n1 ZINC000244795931 474566351 /nfs/dbraw/zinc/56/63/51/474566351.db2.gz RPYVRTOHQIDKBV-SHTZXODSSA-N 1 0 336.443 2.639 50 0 EFAARO Cc1nccn1CC1CC[NH+](CCC(=O)NCc2cccs2)CC1 ZINC000244852583 474566875 /nfs/dbraw/zinc/56/68/75/474566875.db2.gz UVBGILPGYKJELD-UHFFFAOYSA-N 1 0 346.500 2.672 50 0 EFAARO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CCn1nc(C)cc1C ZINC000244899603 474568264 /nfs/dbraw/zinc/56/82/64/474568264.db2.gz ZMSGPARVSIGOKN-GOSISDBHSA-N 1 0 344.459 2.858 50 0 EFAARO O=C([C@H]1CC[C@@H](O)CC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000244899520 474568339 /nfs/dbraw/zinc/56/83/39/474568339.db2.gz ZLALEWHZKMNADR-BGYRXZFFSA-N 1 0 344.499 2.705 50 0 EFAARO Cc1cc([C@@H]2CCCN2CC[NH+]2CCN(c3ccccc3)CC2)no1 ZINC000244866635 474568928 /nfs/dbraw/zinc/56/89/28/474568928.db2.gz VZOPWASDKUNFMO-FQEVSTJZSA-N 1 0 340.471 2.942 50 0 EFAARO CCCc1ccc(-c2ccc(C(=O)NC[C@@]3(O)CC[NH2+]C3)cc2)cc1 ZINC000252482655 474667560 /nfs/dbraw/zinc/66/75/60/474667560.db2.gz DLRPBBRAHDUIIC-OAQYLSRUSA-N 1 0 338.451 2.760 50 0 EFAARO COc1cccc(OCC[NH+]2CCC(Cc3noc(C)n3)CC2)c1 ZINC000252483228 474669410 /nfs/dbraw/zinc/66/94/10/474669410.db2.gz DXRQSFLTCZRJQV-UHFFFAOYSA-N 1 0 331.416 2.720 50 0 EFAARO COc1ccccc1CNC(=O)CC[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000252487705 474672385 /nfs/dbraw/zinc/67/23/85/474672385.db2.gz IAHGZCYBFFNIQK-OAHLLOKOSA-N 1 0 345.468 2.995 50 0 EFAARO COc1ccccc1CNC(=O)CC[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000252502430 474684333 /nfs/dbraw/zinc/68/43/33/474684333.db2.gz UQGOKURVUYJYBB-KRWDZBQOSA-N 1 0 343.427 2.835 50 0 EFAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2cc(C(N)=O)oc2C(C)(C)C)C1 ZINC000252506619 474684843 /nfs/dbraw/zinc/68/48/43/474684843.db2.gz WBRPTIYOAVBWNG-CYBMUJFWSA-N 1 0 333.476 2.735 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000253408908 474741015 /nfs/dbraw/zinc/74/10/15/474741015.db2.gz LEXFSZZAGBNIPR-RTBURBONSA-N 1 0 325.456 2.872 50 0 EFAARO CC1CCN(C(=O)CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)CC1 ZINC000261654079 475011895 /nfs/dbraw/zinc/01/18/95/475011895.db2.gz HPLCBQMZEPAJMD-KRWDZBQOSA-N 1 0 335.879 2.545 50 0 EFAARO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1C ZINC000348257358 475532387 /nfs/dbraw/zinc/53/23/87/475532387.db2.gz PMLFXMQUVMPVDJ-CYBMUJFWSA-N 1 0 330.881 2.801 50 0 EFAARO COc1ccc(CC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000299754412 476152201 /nfs/dbraw/zinc/15/22/01/476152201.db2.gz KQAXLJWXKSXUCN-HKUYNNGSSA-N 1 0 330.472 2.961 50 0 biogenic EFAARO C[C@H](CCC(=O)NC1(c2ccc(Cl)cc2)CC1)[NH+]1CCOCC1 ZINC000299763449 476152249 /nfs/dbraw/zinc/15/22/49/476152249.db2.gz VQVGBGWVIVFZOM-CQSZACIVSA-N 1 0 336.863 2.946 50 0 EFAARO Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)nc(C)n1 ZINC000299769730 476153170 /nfs/dbraw/zinc/15/31/70/476153170.db2.gz PNGLTVDJKPYZGB-QGZVFWFLSA-N 1 0 338.455 2.621 50 0 EFAARO O=C(N1CCC[N@@H+](C2CCCCC2)CC1)C1(Cn2ccnc2)CC1 ZINC000299773960 476153670 /nfs/dbraw/zinc/15/36/70/476153670.db2.gz GVADJJYZNVMZHP-UHFFFAOYSA-N 1 0 330.476 2.530 50 0 EFAARO Cc1cnn(CCC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C)C2)c1 ZINC000299774266 476154173 /nfs/dbraw/zinc/15/41/73/476154173.db2.gz FQJYDKOGHZPIDO-SFHVURJKSA-N 1 0 340.471 2.528 50 0 EFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)Cc3ccccc3C)cc2C1 ZINC000299770278 476154488 /nfs/dbraw/zinc/15/44/88/476154488.db2.gz OZYRYYLUVRWSIC-UHFFFAOYSA-N 1 0 340.471 2.666 50 0 EFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H](C)n1cccc1 ZINC000409414518 476984702 /nfs/dbraw/zinc/98/47/02/476984702.db2.gz UCGRUHILWDWMFV-GBESFXJTSA-N 1 0 347.503 2.789 50 0 biogenic EFAARO CC1(C)CC(CC(=O)NC[C@@H](O)Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000426443162 477710867 /nfs/dbraw/zinc/71/08/67/477710867.db2.gz HMBMJAJKISIZBP-KRWDZBQOSA-N 1 0 332.488 2.653 50 0 EFAARO [NH3+]CCOc1ccc(CC(=O)NCc2ccc3c(c2)CCCC3)cc1 ZINC000426530539 477715523 /nfs/dbraw/zinc/71/55/23/477715523.db2.gz SBZBYUWLTALTKS-UHFFFAOYSA-N 1 0 338.451 2.762 50 0 EFAARO C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(Cc3ccccc3F)CC2)C1 ZINC000426535190 477716579 /nfs/dbraw/zinc/71/65/79/477716579.db2.gz PHGZWUQJWHQDBD-INIZCTEOSA-N 1 0 333.451 2.742 50 0 EFAARO c1csc(C[N@@H+]2CCCN(c3cc([C@H]4CCOC4)ncn3)CC2)c1 ZINC000426533915 477717524 /nfs/dbraw/zinc/71/75/24/477717524.db2.gz XTRYFKIBWMRNHJ-HNNXBMFYSA-N 1 0 344.484 2.754 50 0 EFAARO CN(Cc1cccc2cnccc21)C(=O)Cc1ccc(OCC[NH3+])cc1 ZINC000426538741 477717628 /nfs/dbraw/zinc/71/76/28/477717628.db2.gz ZNXAZBJNAXTMAF-UHFFFAOYSA-N 1 0 349.434 2.773 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)N(CCOC)Cc1ccccc1C ZINC000426548478 477719097 /nfs/dbraw/zinc/71/90/97/477719097.db2.gz IHKDMTBUWAQVNH-SFHVURJKSA-N 1 0 333.476 2.637 50 0 EFAARO COc1cccc(OCCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC000426581253 477721939 /nfs/dbraw/zinc/72/19/39/477721939.db2.gz NQWWPDWCUGDXBD-UHFFFAOYSA-N 1 0 334.460 2.797 50 0 EFAARO CCc1ccccc1NC(=O)N1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426615580 477726240 /nfs/dbraw/zinc/72/62/40/477726240.db2.gz SCVIQNVTELFAOT-UHFFFAOYSA-N 1 0 330.476 2.541 50 0 EFAARO CSC[C@H]1CCCN(C(=O)c2ccc(C)cc2OCCC[NH3+])C1 ZINC000426622904 477727585 /nfs/dbraw/zinc/72/75/85/477727585.db2.gz HPDGRJKEACONNL-HNNXBMFYSA-N 1 0 336.501 2.938 50 0 EFAARO Cc1nc([C@H]2CCOC2)cc(N2CCC(CC[NH+]3CCCC3)CC2)n1 ZINC000426624772 477727837 /nfs/dbraw/zinc/72/78/37/477727837.db2.gz NUFPBDHTIQLSDW-SFHVURJKSA-N 1 0 344.503 2.991 50 0 EFAARO CN(Cc1ccc2nsnc2c1)C(=O)NCC[C@H]1CCCC[N@@H+]1C ZINC000426618392 477728388 /nfs/dbraw/zinc/72/83/88/477728388.db2.gz TUIKAHLKMOIEHQ-CQSZACIVSA-N 1 0 347.488 2.707 50 0 EFAARO OCCn1ccc([C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)n1 ZINC000426647861 477733082 /nfs/dbraw/zinc/73/30/82/477733082.db2.gz CJOYBXFVMCGQID-CQSZACIVSA-N 1 0 342.468 2.865 50 0 EFAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCc1cccn1C ZINC000426712000 477741640 /nfs/dbraw/zinc/74/16/40/477741640.db2.gz HMLQEALGHOCJNC-MRXNPFEDSA-N 1 0 325.456 2.521 50 0 EFAARO COc1ccc(-c2ccc(C(=O)NCC[C@H]3CCC[N@@H+]3C)cc2)cn1 ZINC000426739846 477742936 /nfs/dbraw/zinc/74/29/36/477742936.db2.gz SVAAACGGLJWQTD-GOSISDBHSA-N 1 0 339.439 2.971 50 0 EFAARO C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)NCCC[NH+](C)C ZINC000426726769 477743206 /nfs/dbraw/zinc/74/32/06/477743206.db2.gz LUXUFTJGLNGSEG-CQSZACIVSA-N 1 0 329.448 2.731 50 0 EFAARO Cc1cc(C(=O)NC[C@H]2COCC[N@@H+](C)C2)c2ccc(Cl)cc2n1 ZINC000426740394 477745488 /nfs/dbraw/zinc/74/54/88/477745488.db2.gz HBDOMRVCQRGVAP-CYBMUJFWSA-N 1 0 347.846 2.505 50 0 EFAARO COc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)cc1 ZINC000367944161 477764655 /nfs/dbraw/zinc/76/46/55/477764655.db2.gz XDHXNVYQRFNBEI-ZWKOTPCHSA-N 1 0 328.387 2.710 50 0 EFAARO Cc1nccn1C[C@@H](C)[NH2+]C1CCN(Cc2ccccc2F)CC1 ZINC000534590061 478161075 /nfs/dbraw/zinc/16/10/75/478161075.db2.gz ZZHUTRCIYWTGQD-OAHLLOKOSA-N 1 0 330.451 2.973 50 0 EFAARO CCCOc1ccc(CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000534590095 478161439 /nfs/dbraw/zinc/16/14/39/478161439.db2.gz ADKGNFREWNSQMT-KRWDZBQOSA-N 1 0 331.460 2.508 50 0 EFAARO CCc1nc(CC[NH2+]C2CCN(C(=O)c3ccccn3)CC2)cs1 ZINC000534635774 478163803 /nfs/dbraw/zinc/16/38/03/478163803.db2.gz AAFIGLKSQTZCOE-UHFFFAOYSA-N 1 0 344.484 2.537 50 0 EFAARO Cc1cccc([C@@H](CNC(=O)c2cc(Cl)c[nH]c2=O)[NH+](C)C)c1 ZINC000534663357 478166798 /nfs/dbraw/zinc/16/67/98/478166798.db2.gz DEFIRQQOLACLFO-OAHLLOKOSA-N 1 0 333.819 2.782 50 0 EFAARO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000534663302 478167128 /nfs/dbraw/zinc/16/71/28/478167128.db2.gz FXMYIZPDLHXAEI-ZDUSSCGKSA-N 1 0 347.438 2.575 50 0 EFAARO Cc1ccc(CN(CCCO)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000534669101 478168318 /nfs/dbraw/zinc/16/83/18/478168318.db2.gz HPIASLNCGVYZQC-SFHVURJKSA-N 1 0 347.503 2.621 50 0 EFAARO CCc1nccn1C[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2OC)c1 ZINC000584887600 479271767 /nfs/dbraw/zinc/27/17/67/479271767.db2.gz IKMANDNXPFFJPH-OAHLLOKOSA-N 1 0 339.443 2.818 50 0 EFAARO c1ccc(N2CC[C@@H]([NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000584887979 479272485 /nfs/dbraw/zinc/27/24/85/479272485.db2.gz ZPWAQNKACBIANA-HXUWFJFHSA-N 1 0 336.483 2.915 50 0 EFAARO COC[C@@H]1CCCN1C(=O)NCC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000584889917 479272851 /nfs/dbraw/zinc/27/28/51/479272851.db2.gz QFJVWEZVDFFUFW-KRWDZBQOSA-N 1 0 349.475 2.620 50 0 EFAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCC2)C1)N1CC(c2ccccn2)C1 ZINC000584888333 479273097 /nfs/dbraw/zinc/27/30/97/479273097.db2.gz UZNQZEOFPGVEBZ-MRXNPFEDSA-N 1 0 328.460 2.597 50 0 EFAARO COc1cccc2c1OC[C@H]([NH2+]C1CCN(Cc3ccco3)CC1)C2 ZINC000584892473 479273946 /nfs/dbraw/zinc/27/39/46/479273946.db2.gz ZAKWDKWGAHJVJY-QGZVFWFLSA-N 1 0 342.439 2.846 50 0 EFAARO Cc1cccc2nc(C(=O)N(C)Cc3ccc4c(c3)C[N@@H+](C)C4)cn21 ZINC000584895334 479274184 /nfs/dbraw/zinc/27/41/84/479274184.db2.gz ITZWYHDULCZANZ-UHFFFAOYSA-N 1 0 334.423 2.860 50 0 EFAARO COc1cccc2c1OC[C@@H]([NH2+]C1CCN(Cc3ccco3)CC1)C2 ZINC000584892472 479274459 /nfs/dbraw/zinc/27/44/59/479274459.db2.gz ZAKWDKWGAHJVJY-KRWDZBQOSA-N 1 0 342.439 2.846 50 0 EFAARO C[NH+](C)CC[C@H](NC(=O)NCC1(O)CCCCC1)c1ccccc1 ZINC000584898412 479275494 /nfs/dbraw/zinc/27/54/94/479275494.db2.gz IBFFSIGLGZGHIU-KRWDZBQOSA-N 1 0 333.476 2.674 50 0 EFAARO Cc1nonc1C[NH2+][C@@H](C)CCc1c(C)[nH]c2ccccc2c1=O ZINC000584901259 479276625 /nfs/dbraw/zinc/27/66/25/479276625.db2.gz VQNFEFCMSHVILY-NSHDSACASA-N 1 0 326.400 2.639 50 0 EFAARO Cc1cc(CNC(=O)N2CC[NH+](CC3CCCC3)CC2)cnc1C ZINC000584900244 479276730 /nfs/dbraw/zinc/27/67/30/479276730.db2.gz JZNJDQFKTRDXLV-UHFFFAOYSA-N 1 0 330.476 2.716 50 0 EFAARO O=C(NCCSc1ccccn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000584900438 479276911 /nfs/dbraw/zinc/27/69/11/479276911.db2.gz BOLMNDDSYYHRBV-UHFFFAOYSA-N 1 0 348.516 2.834 50 0 EFAARO Cc1cccnc1CN(C)C(=O)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000584904200 479278150 /nfs/dbraw/zinc/27/81/50/479278150.db2.gz IWKICMCYCVEUIG-MRXNPFEDSA-N 1 0 330.476 2.796 50 0 EFAARO CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H](c3nccn3C)C2)c1 ZINC000585135022 479295229 /nfs/dbraw/zinc/29/52/29/479295229.db2.gz UQAGXTJZHIJGMK-SJLPKXTDSA-N 1 0 340.471 2.986 50 0 EFAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C[NH+]1CCC2(CC1)OCCO2 ZINC000585136523 479296449 /nfs/dbraw/zinc/29/64/49/479296449.db2.gz JHKQKSXDADAHGB-HUUCEWRRSA-N 1 0 340.464 2.519 50 0 EFAARO CN(C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CCSC1 ZINC000585136995 479296470 /nfs/dbraw/zinc/29/64/70/479296470.db2.gz BSMBZPLCRIPUFO-QGZVFWFLSA-N 1 0 342.468 2.894 50 0 EFAARO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000585136811 479296805 /nfs/dbraw/zinc/29/68/05/479296805.db2.gz UAYOWUFGWGWCSZ-QXSJWSMHSA-N 1 0 336.476 2.791 50 0 EFAARO CN(C)c1ccc(CN2CC[C@]3(C2)CC(=O)c2ccccc2O3)cn1 ZINC000660803535 482153364 /nfs/dbraw/zinc/15/33/64/482153364.db2.gz MOVDUWPHLQKJRA-HXUWFJFHSA-N 1 0 337.423 2.758 50 0 EFAARO CCCOc1ccccc1CN1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091643933 520474590 /nfs/dbraw/zinc/47/45/90/520474590.db2.gz AOZUXMAKGLTWPX-RTBURBONSA-N 1 0 332.488 2.612 50 0 EFAARO CCOc1cc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)ccc1O ZINC000019229328 520699447 /nfs/dbraw/zinc/69/94/47/520699447.db2.gz FIJDKEZRUWTUPP-SFHVURJKSA-N 1 0 348.487 2.602 50 0 EFAARO CC(C)C[NH+]1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000000455556 535066465 /nfs/dbraw/zinc/06/64/65/535066465.db2.gz XJMRLZOESHEFLU-UHFFFAOYSA-N 1 0 347.478 2.842 50 0 EFAARO CCCCc1c(C)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c1=O ZINC000054253548 535077768 /nfs/dbraw/zinc/07/77/68/535077768.db2.gz WCBMRKHOUPHPNX-UHFFFAOYSA-N 1 0 340.471 2.743 50 0 EFAARO CCC[NH+]1CCC(CCNC(=O)N(C)[C@@H](C)c2nc(C)no2)CC1 ZINC000426474391 535351049 /nfs/dbraw/zinc/35/10/49/535351049.db2.gz RKTXLLCUYZELBE-ZDUSSCGKSA-N 1 0 337.468 2.593 50 0 EFAARO CCOc1ccc(-c2ccc(CN3CCO[C@H](CC[NH3+])C3)o2)cc1 ZINC000426473610 535692714 /nfs/dbraw/zinc/69/27/14/535692714.db2.gz NZTXRBALOQWRBW-QGZVFWFLSA-N 1 0 330.428 2.895 50 0 EFAARO CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000426370871 535728132 /nfs/dbraw/zinc/72/81/32/535728132.db2.gz XYWGMLXEZYVGBK-SFHVURJKSA-N 1 0 326.444 2.764 50 0 EFAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)c2[nH]nc(N)c2Cl)cc1 ZINC000216521197 536020118 /nfs/dbraw/zinc/02/01/18/536020118.db2.gz LIBZGWJRMFYMCH-ZDUSSCGKSA-N 1 0 347.850 2.684 50 0 EFAARO C[NH+](C)[C@H]1CCCN(Cc2cccc(OCCCn3ccnc3)c2)C1 ZINC000216149855 536138251 /nfs/dbraw/zinc/13/82/51/536138251.db2.gz QEWVCOAXECJTTK-IBGZPJMESA-N 1 0 342.487 2.878 50 0 EFAARO CN(Cc1cc2cc(F)ccc2[nH]1)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000252536570 536460556 /nfs/dbraw/zinc/46/05/56/536460556.db2.gz IWNJNCOBUKBMDE-BJHJDKERSA-N 1 0 340.406 2.520 50 0 EFAARO CN(Cc1[nH]nc2c1CCCC2)C(=O)NCCC[N@H+](C)C1CCCC1 ZINC000426402122 536485971 /nfs/dbraw/zinc/48/59/71/536485971.db2.gz WTKNENOBQNGBFW-UHFFFAOYSA-N 1 0 347.507 2.694 50 0 EFAARO O=C(NCc1[nH]nc2c1CCCCC2)c1ccc(C[NH+]2CCCC2)o1 ZINC000670440504 547489364 /nfs/dbraw/zinc/48/93/64/547489364.db2.gz HNPXZZMEGUKKIC-UHFFFAOYSA-N 1 0 342.443 2.797 50 0 EFAARO Fc1cccc(-n2cc(CN3CCN(c4cc[nH+]cc4)CC3)cn2)c1 ZINC000670443518 547490642 /nfs/dbraw/zinc/49/06/42/547490642.db2.gz AKLSFWFVTMWNMY-UHFFFAOYSA-N 1 0 337.402 2.729 50 0 EFAARO Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000670447513 547491639 /nfs/dbraw/zinc/49/16/39/547491639.db2.gz RSMHAAHTZOBUAD-NSHDSACASA-N 1 0 325.338 2.907 50 0 EFAARO C[N@@H+]1CCCCC[C@H]1c1nc(-c2c[nH]c3ccccc23)nn1CCO ZINC000670451593 547491848 /nfs/dbraw/zinc/49/18/48/547491848.db2.gz JTYSRNSPZAXURK-KRWDZBQOSA-N 1 0 339.443 2.966 50 0 EFAARO c1ccc(-n2nnnc2N2CCC[N@@H+](C3CCCCC3)CC2)cc1 ZINC000670449214 547491879 /nfs/dbraw/zinc/49/18/79/547491879.db2.gz STEZAOHGRBWYLM-UHFFFAOYSA-N 1 0 326.448 2.507 50 0 EFAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Cc1[nH]nc2ccccc21 ZINC000670460665 547494335 /nfs/dbraw/zinc/49/43/35/547494335.db2.gz OYFRZQNRJYOEOM-UHFFFAOYSA-N 1 0 334.423 2.709 50 0 EFAARO COCCc1nc(C2CC[NH+](C)CC2)n(Cc2ccccc2C)n1 ZINC000670467163 547494965 /nfs/dbraw/zinc/49/49/65/547494965.db2.gz GDSKKGJJKTVSCU-UHFFFAOYSA-N 1 0 328.460 2.633 50 0 EFAARO COC1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C)C2)CC1 ZINC000584884334 564131395 /nfs/dbraw/zinc/13/13/95/564131395.db2.gz JTZMDWUKZFADPE-QGZVFWFLSA-N 1 0 345.487 2.637 50 0 EFAARO CC[C@@H](C)CNC(=O)C1(CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000299804038 568419831 /nfs/dbraw/zinc/41/98/31/568419831.db2.gz UHHHJWVMGQLORV-QGZVFWFLSA-N 1 0 332.488 2.814 50 0 EFAARO CCC(CC)NC(=O)C1(CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000299804025 577414655 /nfs/dbraw/zinc/41/46/55/577414655.db2.gz RVATXKBBBAWEEN-UHFFFAOYSA-N 1 0 332.488 2.956 50 0 EFAARO O=C(Cc1cccs1)N1C[C@@H]2C[NH2+]C[C@]2(CCc2ccccc2)C1 ZINC001772702619 1249285250 /nfs/dbraw/zinc/28/52/50/1249285250.db2.gz DEVUZMGLTHPZKR-FXAWDEMLSA-N 1 0 340.492 2.971 50 0 EFAARO CSc1cccc(NC(=O)N2CCC(CO)(C[NH+](C)C)CC2)c1 ZINC001772701959 1249285454 /nfs/dbraw/zinc/28/54/54/1249285454.db2.gz CNLLOQAIBGSQAH-UHFFFAOYSA-N 1 0 337.489 2.577 50 0 EFAARO Cc1cccc(CC[N@@H+]2CCCN(C(=O)Cc3cccs3)CC2)n1 ZINC001772704342 1249289789 /nfs/dbraw/zinc/28/97/89/1249289789.db2.gz FGFPMUYZUUVRGH-UHFFFAOYSA-N 1 0 343.496 2.771 50 0 EFAARO CCCOc1ccccc1-c1nnc(N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)o1 ZINC001772704074 1249288659 /nfs/dbraw/zinc/28/86/59/1249288659.db2.gz ROFULAMTYKTNSE-PHZGNYQRSA-N 1 0 342.443 2.769 50 0 EFAARO Cc1c(Cl)cccc1NC(=O)N1CCC[C@@](CO)(C[NH+](C)C)C1 ZINC001772708026 1249294594 /nfs/dbraw/zinc/29/45/94/1249294594.db2.gz BWZHWGPGXHOWSH-QGZVFWFLSA-N 1 0 339.867 2.816 50 0 EFAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2COCC[C@]2(CO)C1 ZINC001772708069 1249294745 /nfs/dbraw/zinc/29/47/45/1249294745.db2.gz CYHLEVZVLVNOFC-CXAGYDPISA-N 1 0 334.441 2.542 50 0 EFAARO OC[C@@]12C[N@H+](Cc3ccc(-c4ccccc4F)o3)C[C@@H]1COCC2 ZINC001772707694 1249295621 /nfs/dbraw/zinc/29/56/21/1249295621.db2.gz UIOBKZBQWWKMMW-AUUYWEPGSA-N 1 0 331.387 2.917 50 0 EFAARO CNCc1nnc(NC[C@@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)o1 ZINC001772708562 1249295990 /nfs/dbraw/zinc/29/59/90/1249295990.db2.gz DLGBXZUQXWSNMT-KRWDZBQOSA-N 1 0 343.475 2.983 50 0 EFAARO C[C@@H]1C(=O)N2CCC[C@H]2C[N@@H+]1C1CCN(c2ccc(F)c(F)c2)CC1 ZINC001772711312 1249300084 /nfs/dbraw/zinc/30/00/84/1249300084.db2.gz HHHZJTWNQJZZJN-CJNGLKHVSA-N 1 0 349.425 2.629 50 0 EFAARO CN(CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)Cc1ccncc1 ZINC000823715113 1265418671 /nfs/dbraw/zinc/41/86/71/1265418671.db2.gz PLNMSKSKDXISEI-UHFFFAOYSA-N 1 0 338.455 2.748 50 0 EFAARO Cc1c([C@@H](C)[NH2+]Cc2cnc(N)nc2)cnn1-c1ccc(F)cc1F ZINC000012297978 1265787421 /nfs/dbraw/zinc/78/74/21/1265787421.db2.gz GXFGKSJYSBUYDU-SNVBAGLBSA-N 1 0 344.369 2.682 50 0 EFAARO O=C(CC[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1)NC1CC1 ZINC000012304904 1265839304 /nfs/dbraw/zinc/83/93/04/1265839304.db2.gz GJWHOZBVTLQKQC-CQSZACIVSA-N 1 0 326.444 2.834 50 0 EFAARO COC(=O)c1ccc(CN2CC[C@H]([NH+]3CCCCC3)CCC2=O)cc1 ZINC000012329682 1266052110 /nfs/dbraw/zinc/05/21/10/1266052110.db2.gz QCSFURKJIPTRTR-GOSISDBHSA-N 1 0 344.455 2.840 50 0 EFAARO O=C(Nc1ccc2c(c1)CN(Cc1ccccn1)CC2)[C@H]1CCCO1 ZINC000011665276 1262935193 /nfs/dbraw/zinc/93/51/93/1262935193.db2.gz DPLUHDTUTDKANA-LJQANCHMSA-N 1 0 337.423 2.757 50 0 EFAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cn(C2CCCCC2)nn1 ZINC000011760865 1263695840 /nfs/dbraw/zinc/69/58/40/1263695840.db2.gz BTEWXUJXMVLFNR-MAUKXSAKSA-N 1 0 345.491 2.778 50 0 EFAARO CSCCC[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000011788117 1263930469 /nfs/dbraw/zinc/93/04/69/1263930469.db2.gz 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ZINC000822718124 1265125464 /nfs/dbraw/zinc/12/54/64/1265125464.db2.gz JQDURAVKCISURR-INIZCTEOSA-N 1 0 327.432 2.983 50 0 EFAARO CCCCn1nc(Cc2ccc(OC)c(OC)c2)nc1C1([NH3+])CC1 ZINC000822888893 1265175525 /nfs/dbraw/zinc/17/55/25/1265175525.db2.gz UJNHMMGORAPUBV-UHFFFAOYSA-N 1 0 330.432 2.634 50 0 EFAARO CC[N@H+](Cc1ccccc1)C1CCN(Cc2cnc(OC)nc2)CC1 ZINC000823071413 1265211994 /nfs/dbraw/zinc/21/19/94/1265211994.db2.gz WIBOYTLAFBQFOU-UHFFFAOYSA-N 1 0 340.471 2.972 50 0 EFAARO CCCn1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(C)n1 ZINC000823031368 1265215654 /nfs/dbraw/zinc/21/56/54/1265215654.db2.gz YCOWQVFMFLVAJD-MRXNPFEDSA-N 1 0 330.432 2.761 50 0 EFAARO CCOc1ccc(CCCNC(=O)N2CCC[C@H]([NH3+])C2)cc1OCC ZINC000823358225 1265308314 /nfs/dbraw/zinc/30/83/14/1265308314.db2.gz JINHTHDEIGVKOB-INIZCTEOSA-N 1 0 349.475 2.549 50 0 EFAARO CCc1cccc(NC(=O)CCC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000823531398 1265364594 /nfs/dbraw/zinc/36/45/94/1265364594.db2.gz NWTCSMZGEYZZSC-SFHVURJKSA-N 1 0 343.471 2.664 50 0 EFAARO CCc1nccn1CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000823557580 1265389698 /nfs/dbraw/zinc/38/96/98/1265389698.db2.gz WDFUIAASZDBCQQ-OAHLLOKOSA-N 1 0 346.500 2.678 50 0 EFAARO COc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)ccn1 ZINC000824851742 1266956652 /nfs/dbraw/zinc/95/66/52/1266956652.db2.gz BLYWOUKNYSCDRP-AWEZNQCLSA-N 1 0 331.441 2.546 50 0 EFAARO Cc1ccccc1-n1cc(C[N@@H+]2CCCN(c3ncccn3)CC2)cn1 ZINC000825235313 1267039614 /nfs/dbraw/zinc/03/96/14/1267039614.db2.gz PSBRKGYSBBRFAQ-UHFFFAOYSA-N 1 0 348.454 2.683 50 0 EFAARO O=C(NCc1ccccc1-n1ccnc1)C1([NH+]2CCCC2)CCCC1 ZINC000827661172 1267460467 /nfs/dbraw/zinc/46/04/67/1267460467.db2.gz JTASYYFIGXQMDC-UHFFFAOYSA-N 1 0 338.455 2.897 50 0 EFAARO Cc1cc2c(cc1C[N@@H+]1CCCN(C(=O)C3CCC3)CC1)OCO2 ZINC000827715319 1267470715 /nfs/dbraw/zinc/47/07/15/1267470715.db2.gz NGUAWGQMRAFAOX-UHFFFAOYSA-N 1 0 330.428 2.558 50 0 EFAARO O=C(NCCSCc1cccc(Cl)c1)NC1CC[NH2+]CC1 ZINC000828015617 1267564280 /nfs/dbraw/zinc/56/42/80/1267564280.db2.gz 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ZINC000952870380 1284890456 /nfs/dbraw/zinc/89/04/56/1284890456.db2.gz YPTIGAUPULUIKT-GOSISDBHSA-N 1 0 345.443 2.899 50 0 EFAARO CC(C)C1=NO[C@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000952870381 1284890930 /nfs/dbraw/zinc/89/09/30/1284890930.db2.gz YPTIGAUPULUIKT-SFHVURJKSA-N 1 0 345.443 2.899 50 0 EFAARO CN(C)CC[N@H+](C[C@H]1CCCO1)C1CCN(c2ccccc2F)CC1 ZINC000952870382 1284891001 /nfs/dbraw/zinc/89/10/01/1284891001.db2.gz YQNFZOJOVVXCFE-GOSISDBHSA-N 1 0 349.494 2.837 50 0 EFAARO CCCN1C[C@H]([NH2+]Cc2cc3ccc(Cl)cc3[nH]c2=O)CC1=O ZINC000952963500 1284920472 /nfs/dbraw/zinc/92/04/72/1284920472.db2.gz KNBMGNKGGGJRFE-CQSZACIVSA-N 1 0 333.819 2.694 50 0 EFAARO CCCN1C[C@@H]([NH2+]Cc2cc3ccc(Cl)cc3[nH]c2=O)CC1=O ZINC000952963492 1284920879 /nfs/dbraw/zinc/92/08/79/1284920879.db2.gz KNBMGNKGGGJRFE-AWEZNQCLSA-N 1 0 333.819 2.694 50 0 EFAARO c1ccc(-c2noc(CC[NH2+]Cc3nc4c(s3)CCCC4)n2)nc1 ZINC000952966081 1284926618 /nfs/dbraw/zinc/92/66/18/1284926618.db2.gz VMHZLGDUGPKDLC-UHFFFAOYSA-N 1 0 341.440 2.799 50 0 EFAARO CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)c2cccnc2)c1 ZINC000952970215 1284936847 /nfs/dbraw/zinc/93/68/47/1284936847.db2.gz BSMRBWCFDYJLCA-KRWDZBQOSA-N 1 0 338.411 2.757 50 0 EFAARO CCc1nccn1CCC(=O)NC[C@@H](c1sccc1C)[NH+](C)C ZINC000952970993 1284938413 /nfs/dbraw/zinc/93/84/13/1284938413.db2.gz RAYSXGPNHQRABB-AWEZNQCLSA-N 1 0 334.489 2.625 50 0 EFAARO COc1cc(Cl)cc(C[NH2+]CC2CCN(C(C)=O)CC2)c1OC ZINC000952973680 1284946275 /nfs/dbraw/zinc/94/62/75/1284946275.db2.gz XVHJRILBRPQZID-UHFFFAOYSA-N 1 0 340.851 2.705 50 0 EFAARO Cc1ccc([C@@H](CNC(=O)CCN2CCCCCC2=O)[NH+](C)C)cc1 ZINC000952979207 1284956681 /nfs/dbraw/zinc/95/66/81/1284956681.db2.gz UBHIFYUYMHJQIE-GOSISDBHSA-N 1 0 345.487 2.507 50 0 EFAARO CN(C)c1ccc(C[NH2+][C@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000952979162 1284957267 /nfs/dbraw/zinc/95/72/67/1284957267.db2.gz VALQTKFZXIOKKP-INIZCTEOSA-N 1 0 330.501 2.963 50 0 EFAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000952981565 1284976113 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Cc1ccc(S(=O)(=O)N(C)C[C@@]2(C)CC[N@H+](C)C2)cc1Cl ZINC000952989262 1284992065 /nfs/dbraw/zinc/99/20/65/1284992065.db2.gz CMIRUGMWHLKKFG-HNNXBMFYSA-N 1 0 330.881 2.611 50 0 EFAARO CCN(C[C@H]1CC[N@H+](CC)C1)S(=O)(=O)c1cc(C)sc1C ZINC000952990817 1284998179 /nfs/dbraw/zinc/99/81/79/1284998179.db2.gz UBLWTSCQFWJNLG-AWEZNQCLSA-N 1 0 330.519 2.717 50 0 EFAARO Cc1cc(C[N@H+]2C[C@H]3[C@H](C(=O)NCc4ccco4)[C@H]3C2)cc(C)c1O ZINC000105798817 1285206451 /nfs/dbraw/zinc/20/64/51/1285206451.db2.gz PBMYWLAEBVBABZ-PIIMJCKOSA-N 1 0 340.423 2.596 50 0 EFAARO CCc1nccn1CCC(=O)N[C@H]1C[N@H+](CC=C(C)C)C[C@@H]1C1CC1 ZINC000091830950 1290493686 /nfs/dbraw/zinc/49/36/86/1290493686.db2.gz QFGPSOLDAMMSFE-MSOLQXFVSA-N 1 0 344.503 2.628 50 0 EFAARO Fc1ccc2c(c1)ncnc2N1CCC([NH+]2CCSCC2)CC1 ZINC000092062272 1290635204 /nfs/dbraw/zinc/63/52/04/1290635204.db2.gz FFTRZLMNEWICQN-UHFFFAOYSA-N 1 0 332.448 2.787 50 0 EFAARO CC(C)[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000885939168 1296014220 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CCCCc1nc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)c[nH]1 ZINC000019839257 1314549736 /nfs/dbraw/zinc/54/97/36/1314549736.db2.gz INDWRPZBPSBWSA-SFHVURJKSA-N 1 0 336.524 2.667 50 0 EFAARO CC(C)n1cc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)cn1 ZINC000039448072 1315951674 /nfs/dbraw/zinc/95/16/74/1315951674.db2.gz HGDHCKDAARPBFJ-HXUWFJFHSA-N 1 0 342.487 2.533 50 0 EFAARO COCC[N@@H+]1CC[C@@H](C(=O)Nc2onc(-c3ccccc3)c2C)C1 ZINC001506396447 1405749614 /nfs/dbraw/zinc/74/96/14/1405749614.db2.gz TUTFPVUYEAEPAH-OAHLLOKOSA-N 1 0 329.400 2.557 50 0 EFAARO O=C1CCCCN1CC[NH2+]C1CCN(c2ccc(F)c(F)c2)CC1 ZINC001506398859 1405750893 /nfs/dbraw/zinc/75/08/93/1405750893.db2.gz GTQSJSGKJVCIGU-UHFFFAOYSA-N 1 0 337.414 2.536 50 0 EFAARO CCCN(Cc1ccccc1F)C(=O)CC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001506405266 1405752555 /nfs/dbraw/zinc/75/25/55/1405752555.db2.gz ADPFZADURSAEFT-QGZVFWFLSA-N 1 0 349.494 2.980 50 0 EFAARO Cc1ccc(-c2ccc(C(=O)N3CCOC4(CC[NH2+]CC4)C3)cc2)o1 ZINC001506418220 1405759605 /nfs/dbraw/zinc/75/96/05/1405759605.db2.gz GCDGPZNENUWAHW-UHFFFAOYSA-N 1 0 340.423 2.850 50 0 EFAARO COCC[N@@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001506420551 1405761405 /nfs/dbraw/zinc/76/14/05/1405761405.db2.gz ISFDITLCIKWEPB-CYBMUJFWSA-N 1 0 349.431 2.856 50 0 EFAARO CC(C)C[C@@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1ncnn1C ZINC001506424630 1405762756 /nfs/dbraw/zinc/76/27/56/1405762756.db2.gz KWKVWIGPIRHRSG-QGZVFWFLSA-N 1 0 331.464 2.750 50 0 EFAARO CCn1ncnc1[C@H](C)[NH2+]C1CCN(c2ccc(F)c(F)c2)CC1 ZINC001506423721 1405763283 /nfs/dbraw/zinc/76/32/83/1405763283.db2.gz ZFDDTAGLEFGSMC-LBPRGKRZSA-N 1 0 335.402 2.896 50 0 EFAARO CC(C)C[C@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1ncnn1C ZINC001506424627 1405763713 /nfs/dbraw/zinc/76/37/13/1405763713.db2.gz KWKVWIGPIRHRSG-KRWDZBQOSA-N 1 0 331.464 2.750 50 0 EFAARO CSc1nc(N)cc(N2CCC[N@H+](Cc3cccs3)CC2)n1 ZINC001506430927 1405767046 /nfs/dbraw/zinc/76/70/46/1405767046.db2.gz ZMHSQHVRLPSUCN-UHFFFAOYSA-N 1 0 335.502 2.555 50 0 EFAARO O=C(C1CCC1)N1CCC[N@@H+]([C@H]2CCN(c3ccccc3)C2)CC1 ZINC001506431212 1405767158 /nfs/dbraw/zinc/76/71/58/1405767158.db2.gz DWWOVKUTLVDGOF-IBGZPJMESA-N 1 0 327.472 2.600 50 0 EFAARO Cc1ccc(N2CCC([N@@H+]3CCN4C(=O)OC[C@H]4C3)CC2)cc1Cl ZINC001506431300 1405768220 /nfs/dbraw/zinc/76/82/20/1405768220.db2.gz HMMDBKVRWZDULZ-MRXNPFEDSA-N 1 0 349.862 2.754 50 0 EFAARO CCNC(=O)c1ccc(NC[C@H]2CCC[N@H+](Cc3ccco3)C2)nc1 ZINC001704300943 1417901062 /nfs/dbraw/zinc/90/10/62/1417901062.db2.gz BZLMJIXSQPPVGQ-OAHLLOKOSA-N 1 0 342.443 2.748 50 0 EFAARO Cc1cc(N2C[C@@H]3COC[C@H](C2)[N@H+](C)C3)nc2ccc(Cl)cc12 ZINC001704304380 1417902251 /nfs/dbraw/zinc/90/22/51/1417902251.db2.gz DRDJJZVUYTWGOB-HIFRSBDPSA-N 1 0 331.847 2.963 50 0 EFAARO O=C1N[C@@H]2COC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3Cl)o1)C2 ZINC001704312525 1417904961 /nfs/dbraw/zinc/90/49/61/1417904961.db2.gz SUKKJHHGFHFHGD-OLZOCXBDSA-N 1 0 346.814 2.547 50 0 EFAARO COc1nc(NCC2(c3ccccc3)CC[NH+](C)CC2)ncc1F ZINC001704312618 1417905085 /nfs/dbraw/zinc/90/50/85/1417905085.db2.gz GRHRMPTURCQRKO-UHFFFAOYSA-N 1 0 330.407 2.700 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)c1cccc(Cl)c1C ZINC001704316617 1417905789 /nfs/dbraw/zinc/90/57/89/1417905789.db2.gz XNMVKMGFAHAKIE-UHFFFAOYSA-N 1 0 334.851 2.884 50 0 EFAARO C[N@@H+]1CCC[C@]2(C(=O)[O-])CCN(c3cc[nH+]c4ccccc43)C[C@@H]12 ZINC001704324889 1417907099 /nfs/dbraw/zinc/90/70/99/1417907099.db2.gz GMSPQTGWNSKDAY-MJGOQNOKSA-N 1 0 325.412 2.610 50 0 EFAARO CN(C)C(=O)c1ccc(NC[C@H]2CC[N@@H+](C3CCCCC3)C2)nc1 ZINC001704326040 1417907893 /nfs/dbraw/zinc/90/78/93/1417907893.db2.gz UIDBPBVXJHQMTB-OAHLLOKOSA-N 1 0 330.476 2.850 50 0 EFAARO Cc1nc(CN(CC[NH+](C)C)C(=O)c2sccc2Cl)c[nH]1 ZINC001704336182 1417910384 /nfs/dbraw/zinc/91/03/84/1417910384.db2.gz UZWBLRWOFKMTJN-UHFFFAOYSA-N 1 0 326.853 2.637 50 0 EFAARO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1 ZINC001704343033 1417912688 /nfs/dbraw/zinc/91/26/88/1417912688.db2.gz HZJBDYHHGOGZCG-LJQANCHMSA-N 1 0 341.459 2.627 50 0 EFAARO Cc1[nH+]c(N2CCCC2)nc(N[C@H](c2nccn2C)C2CC2)c1C ZINC001704350947 1417914500 /nfs/dbraw/zinc/91/45/00/1417914500.db2.gz RLWSESTWTFZJCZ-HNNXBMFYSA-N 1 0 326.448 2.990 50 0 EFAARO O=c1cc([C@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)nc[nH]1 ZINC001704351018 1417914536 /nfs/dbraw/zinc/91/45/36/1417914536.db2.gz MFOSMMZZGGUOEM-ZDUSSCGKSA-N 1 0 345.472 2.619 50 0 EFAARO COc1ccc(CC[C@@H](C)[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000023282789 717932525 /nfs/dbraw/zinc/93/25/25/717932525.db2.gz BNZLMNRHOYEFEK-MRXNPFEDSA-N 1 0 326.444 2.629 50 0 EFAARO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3cnc(C)nc3)C2)c1 ZINC000022851185 715247160 /nfs/dbraw/zinc/24/71/60/715247160.db2.gz PRHSJSILYKKLHM-GOSISDBHSA-N 1 0 326.444 2.548 50 0 EFAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000022918642 715444117 /nfs/dbraw/zinc/44/41/17/715444117.db2.gz MVEKIRCCMIYCDJ-GOSISDBHSA-N 1 0 349.450 2.564 50 0 EFAARO COCC(=O)Nc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000918758831 716389914 /nfs/dbraw/zinc/38/99/14/716389914.db2.gz 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O=C1N(CC2CC2)CCC[C@]1(O)C[NH2+]Cc1cc2ccccc2s1 ZINC000055386249 214315939 /nfs/dbraw/zinc/31/59/39/214315939.db2.gz GQHPOBVVMWEFAG-IBGZPJMESA-N 1 0 344.480 2.754 50 0 EFAARO CN(C)[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC000095367186 282165511 /nfs/dbraw/zinc/16/55/11/282165511.db2.gz KIQFORJZDVCDEA-GOSISDBHSA-N 1 0 335.467 2.761 50 0 EFAARO CN(C)[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000095375452 282166282 /nfs/dbraw/zinc/16/62/82/282166282.db2.gz CFRPVYVDBASUKI-GOSISDBHSA-N 1 0 333.451 2.515 50 0 EFAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)CCn2cccn2)cc1F ZINC000011663261 201810693 /nfs/dbraw/zinc/81/06/93/201810693.db2.gz KUNCSCATCYUPMC-ZDUSSCGKSA-N 1 0 343.406 2.989 50 0 EFAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](C2CCC2)CC1 ZINC000011713716 201812020 /nfs/dbraw/zinc/81/20/20/201812020.db2.gz JLRJZWHSYPKMPT-UHFFFAOYSA-N 1 0 344.455 2.983 50 0 EFAARO CCOc1ccc2[nH]c(=O)c(C[N@H+](CC)C3CCOCC3)cc2c1 ZINC000067726870 215195874 /nfs/dbraw/zinc/19/58/74/215195874.db2.gz 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CN(C)c1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cn1 ZINC000020202717 202035037 /nfs/dbraw/zinc/03/50/37/202035037.db2.gz ACPQGSAYJQYXBU-UHFFFAOYSA-N 1 0 330.476 2.628 50 0 EFAARO C[C@H](CN1CC[NH+](C)CC1)OC(=O)c1ccc(Cl)cc1Cl ZINC000020357437 202038988 /nfs/dbraw/zinc/03/89/88/202038988.db2.gz QDMURLWZAGBWBQ-LLVKDONJSA-N 1 0 331.243 2.786 50 0 EFAARO CN(CCC[NH+](C)C)[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC000020454237 202043410 /nfs/dbraw/zinc/04/34/10/202043410.db2.gz ZHAGKFLZJDBQOL-QGZVFWFLSA-N 1 0 343.471 2.921 50 0 EFAARO CCc1cc(OCCC[NH2+]CCN2CCOCC2)ccc1Cl ZINC000020482422 202045589 /nfs/dbraw/zinc/04/55/89/202045589.db2.gz BLOMDVQFUKPOQK-UHFFFAOYSA-N 1 0 326.868 2.593 50 0 EFAARO CCn1nc(C)c(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)c1C ZINC000020538149 202047980 /nfs/dbraw/zinc/04/79/80/202047980.db2.gz PKDNAMIDJPWLIP-IBGZPJMESA-N 1 0 348.535 2.721 50 0 EFAARO CC(C)=CC[N@@H+]1CCN(Cc2cc(C)c(O)c(C)c2)C[C@@H]1CCO ZINC000020782961 202055456 /nfs/dbraw/zinc/05/54/56/202055456.db2.gz NIVGVCYETHOTDA-IBGZPJMESA-N 1 0 332.488 2.844 50 0 EFAARO C[C@H](O)C[NH2+]CCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000020550780 202049175 /nfs/dbraw/zinc/04/91/75/202049175.db2.gz BQRRJXZYYJRQLV-HNNXBMFYSA-N 1 0 348.874 2.979 50 0 EFAARO CCC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000020595184 202050001 /nfs/dbraw/zinc/05/00/01/202050001.db2.gz WTCYELVCJBRUKU-UHFFFAOYSA-N 1 0 329.366 2.672 50 0 EFAARO Cn1nc2c(c1NC(=O)c1ccc([C@H]3CCC[N@@H+]3C)s1)CCC2 ZINC000020638638 202050748 /nfs/dbraw/zinc/05/07/48/202050748.db2.gz YMETUARBPCUASG-CYBMUJFWSA-N 1 0 330.457 2.989 50 0 EFAARO C[NH+]1CCN(CCOCCOc2ccc(-c3ccccc3)cc2)CC1 ZINC000020652984 202052726 /nfs/dbraw/zinc/05/27/26/202052726.db2.gz ZZAWRXWFIOQUTQ-UHFFFAOYSA-N 1 0 340.467 2.996 50 0 EFAARO CC(C)CC[N@@H+]1CCN(Cc2ccc(O)c(Cl)c2)C[C@@H]1CCO ZINC000020918530 202058771 /nfs/dbraw/zinc/05/87/71/202058771.db2.gz SAFZURIKTCCTEC-INIZCTEOSA-N 1 0 340.895 2.960 50 0 EFAARO O=C(c1ccc2c(c1)OCCO2)N1CCC([NH+]2CCCCC2)CC1 ZINC000020992839 202060274 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CCOC(=O)N1CCC([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000023339052 202101389 /nfs/dbraw/zinc/10/13/89/202101389.db2.gz YKWUFGODQHCXJZ-SFHVURJKSA-N 1 0 332.444 2.551 50 0 EFAARO CSc1cccc(C[NH+]2CCC(n3cc(C[C@@H](C)O)nn3)CC2)c1 ZINC000023367480 202103174 /nfs/dbraw/zinc/10/31/74/202103174.db2.gz HVOIWCINHOSARL-CQSZACIVSA-N 1 0 346.500 2.760 50 0 EFAARO CC(C)CC(=O)NC[C@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000027793764 202160820 /nfs/dbraw/zinc/16/08/20/202160820.db2.gz IPXFAMSLXAOCCG-QGZVFWFLSA-N 1 0 337.895 2.791 50 0 EFAARO COc1ccc([C@@]2(O)C[n+]3ccccc3N2Cc2ccccc2)cc1 ZINC000027299025 202153664 /nfs/dbraw/zinc/15/36/64/202153664.db2.gz CPQSXHILNMULLA-NRFANRHFSA-N 1 0 333.411 2.851 50 0 EFAARO CCn1c(C)cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1C ZINC000030317921 202194889 /nfs/dbraw/zinc/19/48/89/202194889.db2.gz NZFPKJFVLLGAEV-UHFFFAOYSA-N 1 0 325.456 2.913 50 0 EFAARO OCC[NH2+]CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000032541289 202226162 /nfs/dbraw/zinc/22/61/62/202226162.db2.gz 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/nfs/dbraw/zinc/22/39/39/216223939.db2.gz VDSMEZCBRBHWBZ-FQEVSTJZSA-N 1 0 339.439 2.688 50 0 EFAARO Cc1n[nH]c(C)c1CNc1nc(-c2ccccc2)nc2c1CC[NH2+]CC2 ZINC000072431986 216226050 /nfs/dbraw/zinc/22/60/50/216226050.db2.gz HVRBLPJQPJIDAI-UHFFFAOYSA-N 1 0 348.454 2.784 50 0 EFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072478551 216257579 /nfs/dbraw/zinc/25/75/79/216257579.db2.gz QCVMSQQRVVKMEJ-MRXNPFEDSA-N 1 0 332.488 2.994 50 0 EFAARO CC(C)n1ncc2cc(C(=O)NCC3([NH+](C)C)CCCC3)cnc21 ZINC000042764710 201100276 /nfs/dbraw/zinc/10/02/76/201100276.db2.gz MUZJTGAXAVDWHL-UHFFFAOYSA-N 1 0 329.448 2.616 50 0 EFAARO C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000058298977 201141424 /nfs/dbraw/zinc/14/14/24/201141424.db2.gz HKJPHUTUMOTLJF-VQIMIIECSA-N 1 0 335.492 2.650 50 0 EFAARO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000058298976 201141869 /nfs/dbraw/zinc/14/18/69/201141869.db2.gz HKJPHUTUMOTLJF-LPHOPBHVSA-N 1 0 335.492 2.650 50 0 EFAARO OCCn1nccc1C1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000058305274 201142013 /nfs/dbraw/zinc/14/20/13/201142013.db2.gz KSTBMGQRRMSTKT-UHFFFAOYSA-N 1 0 349.862 2.787 50 0 EFAARO COc1c(C[NH2+]C[C@H]2COc3ccccc3C2)c(C(C)C)nn1C ZINC000058421662 201143146 /nfs/dbraw/zinc/14/31/46/201143146.db2.gz RLYFBLGCKMCVKD-AWEZNQCLSA-N 1 0 329.444 2.893 50 0 EFAARO Cc1nn(C)c(N(C)C)c1CNC1CC[NH+](CC2CCCC2)CC1 ZINC000058428966 201143397 /nfs/dbraw/zinc/14/33/97/201143397.db2.gz RXYRUMHUJQPRCV-UHFFFAOYSA-N 1 0 333.524 2.539 50 0 EFAARO COc1c(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c(C)nn1C ZINC000058407320 201143556 /nfs/dbraw/zinc/14/35/56/201143556.db2.gz IPOGVKZUYNAESS-UHFFFAOYSA-N 1 0 347.434 2.714 50 0 EFAARO Cc1cc[nH+]c(NC[C@@H]2CCN(Cc3nc(-c4ccco4)no3)C2)c1 ZINC000065449223 201154567 /nfs/dbraw/zinc/15/45/67/201154567.db2.gz DKLBZNBLSCLOTL-AWEZNQCLSA-N 1 0 339.399 2.967 50 0 EFAARO Cc1ccc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)s1 ZINC000065476355 201154690 /nfs/dbraw/zinc/15/46/90/201154690.db2.gz SMRPNRRNBPCASQ-CQSZACIVSA-N 1 0 334.489 2.786 50 0 EFAARO c1ccc(NC[C@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000065477951 201154752 /nfs/dbraw/zinc/15/47/52/201154752.db2.gz QQRHHBKTVOULJJ-MRXNPFEDSA-N 1 0 325.412 2.787 50 0 EFAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000065552454 201155513 /nfs/dbraw/zinc/15/55/13/201155513.db2.gz RZIBKPHTYLGPHD-OAHLLOKOSA-N 1 0 345.466 2.550 50 0 EFAARO CC[NH+](CC)CCNc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000020661908 201371148 /nfs/dbraw/zinc/37/11/48/201371148.db2.gz ZZAVMIQMPSDZDK-UHFFFAOYSA-N 1 0 328.395 2.708 50 0 EFAARO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1c(Cl)nc3ccccn31)CC2 ZINC000097199483 201382955 /nfs/dbraw/zinc/38/29/55/201382955.db2.gz SOQJTDISSNSXNY-LBPRGKRZSA-N 1 0 344.850 2.807 50 0 EFAARO Cn1cc(C2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)cn1 ZINC000097200451 201383589 /nfs/dbraw/zinc/38/35/89/201383589.db2.gz AMXKVDDPKAJOKB-UHFFFAOYSA-N 1 0 338.455 2.579 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N(Cc2ccccn2)[C@@H](CC)CO)CC1 ZINC000055385450 202692292 /nfs/dbraw/zinc/69/22/92/202692292.db2.gz LBSPYVGGPPLUTN-IBGZPJMESA-N 1 0 347.503 2.693 50 0 EFAARO COc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)c(OC)c1OC ZINC000023128626 212352835 /nfs/dbraw/zinc/35/28/35/212352835.db2.gz QMHDPZULXRRLOS-HNNXBMFYSA-N 1 0 329.396 2.806 50 0 EFAARO CC(C)[NH+]1CCC(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000023127552 212352155 /nfs/dbraw/zinc/35/21/55/212352155.db2.gz BGUXRGLYNYGNQT-UHFFFAOYSA-N 1 0 348.871 2.878 50 0 EFAARO COCC[NH+]1CCC(CNC(=O)Cc2cccc3ccccc32)CC1 ZINC000023014306 212341471 /nfs/dbraw/zinc/34/14/71/212341471.db2.gz BOFQVLFDPOAXGB-UHFFFAOYSA-N 1 0 340.467 2.857 50 0 EFAARO COc1cc(OC)c(C[NH2+]C[C@H](c2ccco2)N(C)C)c(OC)c1 ZINC000022787470 212324914 /nfs/dbraw/zinc/32/49/14/212324914.db2.gz HDAIWPRPSYJSAE-OAHLLOKOSA-N 1 0 334.416 2.698 50 0 EFAARO C[NH+]1CCN([C@@H](CNC(=O)c2cccc(F)c2)c2ccsc2)CC1 ZINC000022794218 212324678 /nfs/dbraw/zinc/32/46/78/212324678.db2.gz ZVYAGLWOIJBGPF-KRWDZBQOSA-N 1 0 347.459 2.606 50 0 EFAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1ccsc1 ZINC000022766890 212321880 /nfs/dbraw/zinc/32/18/80/212321880.db2.gz HIFYKUVFZDIWFQ-ZDUSSCGKSA-N 1 0 333.413 2.901 50 0 EFAARO CCn1c(C)cc(O)c([C@H](c2cccnc2)[NH+]2CCCCC2)c1=O ZINC000022697429 212317869 /nfs/dbraw/zinc/31/78/69/212317869.db2.gz CGOGKUBGHTWFEJ-SFHVURJKSA-N 1 0 327.428 2.853 50 0 EFAARO C[NH+](C)CCCN1C(=O)CS[C@@H]1c1ccc(Br)cc1 ZINC000000196402 201447339 /nfs/dbraw/zinc/44/73/39/201447339.db2.gz HSKHUWQBIRBHPO-CQSZACIVSA-N 1 0 343.290 2.975 50 0 EFAARO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@](O)(CO)CC2)s1 ZINC000215066949 241105795 /nfs/dbraw/zinc/10/57/95/241105795.db2.gz CUZLVTQBTJSJMT-GOSISDBHSA-N 1 0 332.469 2.828 50 0 EFAARO O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(CCCc2ccccc2)CC1 ZINC000215241961 241114980 /nfs/dbraw/zinc/11/49/80/241114980.db2.gz ARSCDARBASSXOZ-LJQANCHMSA-N 1 0 330.472 2.626 50 0 EFAARO O=C(NCCN1CCc2ccccc21)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000215285885 241116641 /nfs/dbraw/zinc/11/66/41/241116641.db2.gz XLMHVONVAHGHJB-HXUWFJFHSA-N 1 0 349.478 2.946 50 0 EFAARO O=C([C@@H]1CCc2ccccc21)N1CC[NH+](C2CCSCC2)CC1 ZINC000215310239 241117722 /nfs/dbraw/zinc/11/77/22/241117722.db2.gz FSBLQBCWEKCCTA-GOSISDBHSA-N 1 0 330.497 2.756 50 0 EFAARO CC[N@H+](Cc1cc2c(cc1OC)OCCCO2)[C@@H]1CCCC[C@H]1O ZINC000215681437 241140297 /nfs/dbraw/zinc/14/02/97/241140297.db2.gz DQOONFGVEGBENW-HZPDHXFCSA-N 1 0 335.444 2.982 50 0 EFAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3cnc(-c4ccccn4)nc3)C2)n1 ZINC000215878602 241154701 /nfs/dbraw/zinc/15/47/01/241154701.db2.gz IQTNPILELMPKMT-QGZVFWFLSA-N 1 0 334.427 2.799 50 0 EFAARO O=C(C[C@H]1CC[NH2+]C1)N(CCCO)Cc1cccc2ccccc21 ZINC000216155865 241170494 /nfs/dbraw/zinc/17/04/94/241170494.db2.gz DUYFDKHYMLPDSX-MRXNPFEDSA-N 1 0 326.440 2.550 50 0 EFAARO Cc1[nH]c2c(cccc2C[N@@H+]2CCC[C@H]2C(=O)N2CCOCC2)c1C ZINC000216205058 241174969 /nfs/dbraw/zinc/17/49/69/241174969.db2.gz HTKQNRQRPKMNEO-SFHVURJKSA-N 1 0 341.455 2.608 50 0 EFAARO OC1(c2cccnc2)CC[NH+](C[C@@]2(c3ccccc3)CCOC2)CC1 ZINC000216257735 241178658 /nfs/dbraw/zinc/17/86/58/241178658.db2.gz CZOYYROHLYWXJZ-FQEVSTJZSA-N 1 0 338.451 2.723 50 0 EFAARO CO[C@@H]1CC[N@H+](Cc2ccc(OCC(=O)N3CCC(C)CC3)cc2)C1 ZINC000216325524 241184237 /nfs/dbraw/zinc/18/42/37/241184237.db2.gz BBDCRXFUZSAHST-LJQANCHMSA-N 1 0 346.471 2.545 50 0 EFAARO O=C(NC1CCCCC1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000059916487 202778701 /nfs/dbraw/zinc/77/87/01/202778701.db2.gz IDLOOXMURNUIHM-UHFFFAOYSA-N 1 0 327.472 2.814 50 0 EFAARO NC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(-c2cc[nH]n2)s1 ZINC000216376784 241186492 /nfs/dbraw/zinc/18/64/92/241186492.db2.gz GYFDTCCXDTUWTJ-MRXNPFEDSA-N 1 0 338.436 2.550 50 0 EFAARO Cn1nc(CN2CCN(c3cc[nH+]cc3)CC2)c2c1cccc2Cl ZINC000216386017 241189626 /nfs/dbraw/zinc/18/96/26/241189626.db2.gz MKFIWZFRZBKNSK-UHFFFAOYSA-N 1 0 341.846 2.944 50 0 EFAARO OC1(C[NH+]2CCCC2)CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000216426748 241190463 /nfs/dbraw/zinc/19/04/63/241190463.db2.gz HWYHLFSXUVLXBE-UHFFFAOYSA-N 1 0 326.843 2.902 50 0 EFAARO CN(C(=O)c1ccc(-n2cnnc2)cc1)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000215664544 241135876 /nfs/dbraw/zinc/13/58/76/241135876.db2.gz PQNYPGYGRCPRRH-IBGZPJMESA-N 1 0 349.438 2.642 50 0 EFAARO O=C(c1ccc(F)cc1Cl)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000217665238 241267821 /nfs/dbraw/zinc/26/78/21/241267821.db2.gz NNBLBDKIWKJPBU-AWEZNQCLSA-N 1 0 340.826 2.806 50 0 EFAARO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000218981896 241357342 /nfs/dbraw/zinc/35/73/42/241357342.db2.gz CMWRRLAWRINTDP-XPTSAGLGSA-N 1 0 342.365 2.582 50 0 EFAARO O=C1Nc2ccc(F)cc2[C@@]12CC[NH2+][C@H]2c1ccc2c(c1)OCCO2 ZINC000061720049 202789016 /nfs/dbraw/zinc/78/90/16/202789016.db2.gz OUCRRDBJLYGBOD-PKOBYXMFSA-N 1 0 340.354 2.521 50 0 EFAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)c(F)c1 ZINC000225568165 241932023 /nfs/dbraw/zinc/93/20/23/241932023.db2.gz YOUZJVNTJJHOLQ-CQSZACIVSA-N 1 0 340.439 2.912 50 0 EFAARO [NH3+]CCCCCNS(=O)(=O)c1cccc2c(Cl)cccc21 ZINC000002169539 201526149 /nfs/dbraw/zinc/52/61/49/201526149.db2.gz SYLYAVTWUBDUGM-UHFFFAOYSA-N 1 0 326.849 2.901 50 0 in-vitro EFAARO COC(=O)c1ccc(OC[C@@H](O)C[NH+](CC(C)C)CC(C)C)cc1 ZINC000002946861 201552869 /nfs/dbraw/zinc/55/28/69/201552869.db2.gz HFOMKNHRTGZESV-KRWDZBQOSA-N 1 0 337.460 2.827 50 0 EFAARO COc1ccc([C@]2(C)N(O)[C@H](C)C(c3ccccc3)[N+]2=O)cc1OC ZINC000003904821 201584611 /nfs/dbraw/zinc/58/46/11/201584611.db2.gz HLBMHPXRVPUYOK-BFUOFWGJSA-N 1 0 342.395 2.969 50 0 EFAARO CCCC[N@H+](C)CCCNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000004110564 201590052 /nfs/dbraw/zinc/59/00/52/201590052.db2.gz MHZYMSSNFBAKTO-UHFFFAOYSA-N 1 0 331.460 2.665 50 0 EFAARO O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000244719075 243065252 /nfs/dbraw/zinc/06/52/52/243065252.db2.gz LWKKRPYQDANVNY-LLVKDONJSA-N 1 0 338.333 2.502 50 0 EFAARO C[C@@H](c1ccccn1)[N@H+](C)CCC(=O)Nc1nnc(C2CC2)s1 ZINC000244763897 243076463 /nfs/dbraw/zinc/07/64/63/243076463.db2.gz OXHRQLVEHDIPJL-NSHDSACASA-N 1 0 331.445 2.832 50 0 EFAARO CN(Cc1nc2ccccc2s1)c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000244787752 243080753 /nfs/dbraw/zinc/08/07/53/243080753.db2.gz QDBLWFPCGPECIF-PHIMTYICSA-N 1 0 341.440 2.543 50 0 EFAARO c1ccc(C2=NO[C@H](CN3CCC([NH+]4CCSCC4)CC3)C2)cc1 ZINC000244816767 243085411 /nfs/dbraw/zinc/08/54/11/243085411.db2.gz SNZRYODWOIYLSU-SFHVURJKSA-N 1 0 345.512 2.693 50 0 EFAARO c1ccc(C2=NO[C@@H](CN3CCC([NH+]4CCSCC4)CC3)C2)cc1 ZINC000244816766 243085602 /nfs/dbraw/zinc/08/56/02/243085602.db2.gz SNZRYODWOIYLSU-GOSISDBHSA-N 1 0 345.512 2.693 50 0 EFAARO CC(=O)N(C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CC(C)=CC[C@@H]3C2)cc1 ZINC000244817032 243086643 /nfs/dbraw/zinc/08/66/43/243086643.db2.gz STGBZJNVHPUYIB-SJORKVTESA-N 1 0 341.455 2.896 50 0 EFAARO c1cncc(-c2nnc(C[N@H+](CC3CCC3)C[C@H]3CCCO3)o2)c1 ZINC000244874292 243090552 /nfs/dbraw/zinc/09/05/52/243090552.db2.gz WYKWXFVIAGIWNU-MRXNPFEDSA-N 1 0 328.416 2.913 50 0 EFAARO Cc1cc(C)n(CCC(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000244873493 243091225 /nfs/dbraw/zinc/09/12/25/243091225.db2.gz WRGKZPOKIVDXMN-INIZCTEOSA-N 1 0 346.500 2.732 50 0 EFAARO Cc1nccn1CC1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000244874604 243096083 /nfs/dbraw/zinc/09/60/83/243096083.db2.gz XEBHXKLKHKKNMU-QGZVFWFLSA-N 1 0 327.428 2.744 50 0 EFAARO Cc1cc(N2CCN(Cc3cc(-c4cccnc4)no3)CC2)cc[nH+]1 ZINC000244723709 243070212 /nfs/dbraw/zinc/07/02/12/243070212.db2.gz MFUJRNQOLSEGHD-UHFFFAOYSA-N 1 0 335.411 2.762 50 0 EFAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000065435277 202848593 /nfs/dbraw/zinc/84/85/93/202848593.db2.gz ZRNYACPLGQQYBD-AWEZNQCLSA-N 1 0 339.439 2.694 50 0 EFAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000020707478 212161629 /nfs/dbraw/zinc/16/16/29/212161629.db2.gz ZRONXEIICAPIIF-QGZVFWFLSA-N 1 0 340.895 2.634 50 0 EFAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COC2CCCCC2)CC1 ZINC000020668489 212160727 /nfs/dbraw/zinc/16/07/27/212160727.db2.gz FELBNIUJXNXIIR-QGZVFWFLSA-N 1 0 348.487 2.527 50 0 EFAARO CC(C)SCCn1nc([C@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000067605247 202920773 /nfs/dbraw/zinc/92/07/73/202920773.db2.gz PXMNKJXHJRDZDB-HNNXBMFYSA-N 1 0 346.500 2.643 50 0 EFAARO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067674279 202924156 /nfs/dbraw/zinc/92/41/56/202924156.db2.gz QKSBRMMRTHDANZ-FQEVSTJZSA-N 1 0 336.439 2.668 50 0 EFAARO Cc1ccc(Oc2ncccc2CNC(=O)[C@@H]2CCC[NH2+]2)c(F)c1F ZINC000067789404 202933631 /nfs/dbraw/zinc/93/36/31/202933631.db2.gz OXXPTIREMLPKMP-ZDUSSCGKSA-N 1 0 347.365 2.829 50 0 EFAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]C1CCCC1 ZINC000067787500 202934490 /nfs/dbraw/zinc/93/44/90/202934490.db2.gz ZGWPUEHCYLMLJJ-FQEVSTJZSA-N 1 0 330.472 2.505 50 0 EFAARO COC(=O)c1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000067800791 202935227 /nfs/dbraw/zinc/93/52/27/202935227.db2.gz CHJFXSUZKIBDOS-UHFFFAOYSA-N 1 0 348.443 2.962 50 0 EFAARO COc1ccc([C@H]([NH3+])CC(=O)N2C[C@@H]3CC=CC[C@@H]3C2)cc1OC ZINC000071415653 203095011 /nfs/dbraw/zinc/09/50/11/203095011.db2.gz OAMZBWMQTNUGTR-OWCLPIDISA-N 1 0 330.428 2.518 50 0 EFAARO CCC(=O)N1CCN(CC2=CCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000071278512 203088822 /nfs/dbraw/zinc/08/88/22/203088822.db2.gz APUIFVHYGDKMEM-UHFFFAOYSA-N 1 0 345.462 2.512 50 0 EFAARO C[C@H](C[NH+](C)C)C(=O)NCc1cccnc1Oc1ccccc1F ZINC000071315133 203091062 /nfs/dbraw/zinc/09/10/62/203091062.db2.gz WDQLWDJDMWKCHR-CYBMUJFWSA-N 1 0 331.391 2.827 50 0 EFAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](CCC(N)=O)C3)ccc2c1 ZINC000071404084 203093183 /nfs/dbraw/zinc/09/31/83/203093183.db2.gz YUIQEDKWETWIMT-QGZVFWFLSA-N 1 0 340.423 2.619 50 0 EFAARO Cc1c[nH]c(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(C)c1=O ZINC000253537130 244017947 /nfs/dbraw/zinc/01/79/47/244017947.db2.gz YYDODQULIVANMM-UHFFFAOYSA-N 1 0 337.427 2.826 50 0 EFAARO CCNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000071388658 203093834 /nfs/dbraw/zinc/09/38/34/203093834.db2.gz PNZPASRSXXVDMG-UHFFFAOYSA-N 1 0 343.515 2.808 50 0 EFAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3cccnc3)nc2)C1 ZINC000071405557 203094032 /nfs/dbraw/zinc/09/40/32/203094032.db2.gz MBXIUXXVZXFGHC-MRXNPFEDSA-N 1 0 338.455 2.851 50 0 EFAARO Cc1c[nH]c(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c(C)c1=O ZINC000071415584 203094580 /nfs/dbraw/zinc/09/45/80/203094580.db2.gz ZFEBZUISNFUAHT-IBGZPJMESA-N 1 0 331.504 2.934 50 0 EFAARO [NH3+][C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000071775010 203112027 /nfs/dbraw/zinc/11/20/27/203112027.db2.gz PMNWCWCHWXYXSI-ZIAGYGMSSA-N 1 0 332.425 2.637 50 0 EFAARO CCN(C(=O)CC[NH+]1CCC(N2CCCC2=O)CC1)c1ccccc1 ZINC000071614586 203100775 /nfs/dbraw/zinc/10/07/75/203100775.db2.gz VQYWMMVZKZMNEK-UHFFFAOYSA-N 1 0 343.471 2.516 50 0 EFAARO O=C([C@H]1CCC[N@H+](Cc2c[nH]c3cc(=O)ccc-3c2)C1)N1CCCC1 ZINC000071614626 203101212 /nfs/dbraw/zinc/10/12/12/203101212.db2.gz BUDCPFWICWETCB-KRWDZBQOSA-N 1 0 339.439 2.775 50 0 EFAARO CN(C)c1nccnc1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000071721559 203105046 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EFAARO COc1ccc([C@@H]([NH3+])CC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cc1OC ZINC000071761535 203108921 /nfs/dbraw/zinc/10/89/21/203108921.db2.gz KDARUNOWLKRVEN-GWCDLVAZSA-N 1 0 344.455 2.598 50 0 EFAARO COc1ccc2cc([C@@H]3CN(C(=O)CCCC[NH3+])CCO3)ccc2c1 ZINC000071762409 203109941 /nfs/dbraw/zinc/10/99/41/203109941.db2.gz GJCCALVNXNCYPC-IBGZPJMESA-N 1 0 342.439 2.877 50 0 EFAARO CC(C)[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)CCC[N@@H+]1CC1CC1 ZINC000071764529 203110743 /nfs/dbraw/zinc/11/07/43/203110743.db2.gz RNXZDZXDILAJMG-SFHVURJKSA-N 1 0 341.459 2.540 50 0 EFAARO COc1ccc2cc([C@H]3CN(C(=O)CCCC[NH3+])CCO3)ccc2c1 ZINC000071762410 203110849 /nfs/dbraw/zinc/11/08/49/203110849.db2.gz GJCCALVNXNCYPC-LJQANCHMSA-N 1 0 342.439 2.877 50 0 EFAARO CC(C)[C@H]1CN(CC(=O)NC2CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071763327 203110903 /nfs/dbraw/zinc/11/09/03/203110903.db2.gz GBYICJXNZHCZDS-LJQANCHMSA-N 1 0 347.478 2.637 50 0 EFAARO CCc1[nH]c2ccc(CNC(=O)[C@@H]3CC[N@H+](CCOC)C3)cc2c1C ZINC000071763735 203111018 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203226949 /nfs/dbraw/zinc/22/69/49/203226949.db2.gz ANIJBGOBDSPHPN-UHFFFAOYSA-N 1 0 330.472 2.748 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNc1nc(C2CCCC2)nc2c1cnn2C ZINC000072468357 203228962 /nfs/dbraw/zinc/22/89/62/203228962.db2.gz ZFZRWSVVOXKEAO-CQSZACIVSA-N 1 0 328.464 2.917 50 0 EFAARO O=C1CC[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]2N1CCc1c[nH]cn1 ZINC000072468711 203228973 /nfs/dbraw/zinc/22/89/73/203228973.db2.gz NRFAOHVFRPURQD-DOTOQJQBSA-N 1 0 344.484 2.527 50 0 EFAARO CCc1ocnc1C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072468629 203229702 /nfs/dbraw/zinc/22/97/02/203229702.db2.gz ILMVUSHPNMOITH-UHFFFAOYSA-N 1 0 343.471 2.964 50 0 EFAARO c1cn(CCc2c[nH]c3ccccc23)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072477049 203231782 /nfs/dbraw/zinc/23/17/82/203231782.db2.gz ROLUHRUSLJYNSZ-UHFFFAOYSA-N 1 0 346.438 2.964 50 0 EFAARO CCOCc1nc2c(c(NCCc3cccs3)n1)CC[N@H+](C)CC2 ZINC000072481432 203233500 /nfs/dbraw/zinc/23/35/00/203233500.db2.gz UDTKYICBMMIYRZ-UHFFFAOYSA-N 1 0 346.500 2.760 50 0 EFAARO Cn1ncc2c1nc(C1CCCC1)nc2N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000072408018 203216123 /nfs/dbraw/zinc/21/61/23/203216123.db2.gz KGLPFFDZERDJFG-OAHLLOKOSA-N 1 0 340.475 2.695 50 0 EFAARO Cc1ncc2c(c1CNC(=O)c1c(O)ccc3ccccc31)CC[NH2+]C2 ZINC000072411886 203216784 /nfs/dbraw/zinc/21/67/84/203216784.db2.gz RQFHCEINYMOCCP-UHFFFAOYSA-N 1 0 347.418 2.825 50 0 EFAARO CCOCc1nc2c(c(N[C@@H](C)c3ccc(C)cn3)n1)CC[NH2+]CC2 ZINC000072418844 203218362 /nfs/dbraw/zinc/21/83/62/203218362.db2.gz XQJIWPYCXZSHMJ-AWEZNQCLSA-N 1 0 341.459 2.578 50 0 EFAARO C[C@H](Nc1ncnc2c1CC[NH2+]CC2)c1nc2c(s1)CCCC2 ZINC000072427360 203222125 /nfs/dbraw/zinc/22/21/25/203222125.db2.gz NFIFRKVKZGZGQW-NSHDSACASA-N 1 0 329.473 2.673 50 0 EFAARO COCCCN(C(=O)c1sccc1Cl)C1CC[NH+](C)CC1 ZINC000072480645 203233586 /nfs/dbraw/zinc/23/35/86/203233586.db2.gz HXYHBANYLNDCIK-UHFFFAOYSA-N 1 0 330.881 2.974 50 0 EFAARO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1nccs1 ZINC000073451215 203266435 /nfs/dbraw/zinc/26/64/35/203266435.db2.gz CHSXUSWHHUQFCS-OAHLLOKOSA-N 1 0 344.484 2.533 50 0 EFAARO [NH3+][C@@H](Cc1c[nH]c2ccccc12)CN1CCN(c2ccccc2)CC1 ZINC000019852718 212076188 /nfs/dbraw/zinc/07/61/88/212076188.db2.gz BLIPLITXLNBTNM-SFHVURJKSA-N 1 0 334.467 2.860 50 0 EFAARO C[C@@H](C1CCN(c2nc(-c3ccccc3)no2)CC1)[NH+]1CCOCC1 ZINC000077285945 203377203 /nfs/dbraw/zinc/37/72/03/203377203.db2.gz PXSHZLDGQRCJGM-HNNXBMFYSA-N 1 0 342.443 2.674 50 0 EFAARO O[C@]1(C[NH+]2CCCCC2)CCN(c2cccc(C(F)(F)F)n2)C1 ZINC000077300290 203378467 /nfs/dbraw/zinc/37/84/67/203378467.db2.gz GAENRBPROOZPPC-HNNXBMFYSA-N 1 0 329.366 2.528 50 0 EFAARO C/C=C/C[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077298784 203378846 /nfs/dbraw/zinc/37/88/46/203378846.db2.gz XWNTYTUGSDKLSV-RTLBZRNLSA-N 1 0 328.460 2.566 50 0 EFAARO CCCCN1C[C@]2(CCC[N@H+](Cc3cccnc3N)C2)CCC1=O ZINC000077323013 203379377 /nfs/dbraw/zinc/37/93/77/203379377.db2.gz ZPLYDNLLBYGFPH-LJQANCHMSA-N 1 0 330.476 2.669 50 0 EFAARO Cc1nc(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)nc2c1CCCC2 ZINC000077323039 203379682 /nfs/dbraw/zinc/37/96/82/203379682.db2.gz CUZHWRRGUDMDOR-INIZCTEOSA-N 1 0 345.487 2.524 50 0 EFAARO Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000077342940 203380881 /nfs/dbraw/zinc/38/08/81/203380881.db2.gz WQRICAIZHCQOQM-QGZVFWFLSA-N 1 0 338.455 2.701 50 0 EFAARO Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCC[NH2+]C3)on2)cc1 ZINC000077010631 203369718 /nfs/dbraw/zinc/36/97/18/203369718.db2.gz IOCXHGASYHPQRH-LJQANCHMSA-N 1 0 327.428 2.651 50 0 EFAARO O[C@@]1(C[NH+]2CCCC2)CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000077387553 203385068 /nfs/dbraw/zinc/38/50/68/203385068.db2.gz AXOJUGOQBNSARO-QGZVFWFLSA-N 1 0 326.843 2.902 50 0 EFAARO CC(C)c1ncc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cn1 ZINC000077407308 203386864 /nfs/dbraw/zinc/38/68/64/203386864.db2.gz ZMXSBTDSVIJDBN-FQEVSTJZSA-N 1 0 342.487 2.967 50 0 EFAARO CCCCN1C[C@]2(CCC[N@H+](Cc3cn(C)nc3C)C2)CCC1=O ZINC000077419896 203387246 /nfs/dbraw/zinc/38/72/46/203387246.db2.gz APAZMUQJCYMGJG-LJQANCHMSA-N 1 0 332.492 2.733 50 0 EFAARO c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000077421448 203387362 /nfs/dbraw/zinc/38/73/62/203387362.db2.gz RKLWXJHUJXNHGL-SFHVURJKSA-N 1 0 341.455 2.733 50 0 EFAARO C/C=C(\C)C[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077425690 203388092 /nfs/dbraw/zinc/38/80/92/203388092.db2.gz OIVSJDLRRMYULS-XLTSXLIKSA-N 1 0 342.487 2.956 50 0 EFAARO CC(C)c1nc(Cn2cnc3sc4c(c3c2=O)CC[NH2+]C4)cs1 ZINC000077424912 203388698 /nfs/dbraw/zinc/38/86/98/203388698.db2.gz JRNAOEUMZIAKSL-UHFFFAOYSA-N 1 0 346.481 2.732 50 0 EFAARO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000019790661 212067832 /nfs/dbraw/zinc/06/78/32/212067832.db2.gz MMCWTYMIIVLCRU-HXUWFJFHSA-N 1 0 340.467 2.865 50 0 EFAARO Cc1cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)no1 ZINC000077458077 203389237 /nfs/dbraw/zinc/38/92/37/203389237.db2.gz QHEVKYZWHWBZBC-UHFFFAOYSA-N 1 0 327.428 2.764 50 0 EFAARO O[C@]1(C[NH+]2CCCCC2)CCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000077454624 203389473 /nfs/dbraw/zinc/38/94/73/203389473.db2.gz NICMQPOPNPWFAR-HNNXBMFYSA-N 1 0 329.366 2.528 50 0 EFAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCOc1ccccc1 ZINC000077487916 203391417 /nfs/dbraw/zinc/39/14/17/203391417.db2.gz QFFSVSDZGGZFJT-LJQANCHMSA-N 1 0 338.451 2.971 50 0 EFAARO CCc1nc(C)c(C(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)o1 ZINC000077504586 203391966 /nfs/dbraw/zinc/39/19/66/203391966.db2.gz LSOJYTBGSLSSFV-UHFFFAOYSA-N 1 0 342.443 2.677 50 0 EFAARO Cn1ccnc1C(=O)[C@@H]1CCCN(Cc2ccc3nsnc3c2)C1 ZINC000077506172 203392372 /nfs/dbraw/zinc/39/23/72/203392372.db2.gz TZGCYTNRBPUXRO-CYBMUJFWSA-N 1 0 341.440 2.520 50 0 EFAARO CN1CC2(CC1=O)CC[NH+](CCCCOCc1ccccc1)CC2 ZINC000077518088 203392882 /nfs/dbraw/zinc/39/28/82/203392882.db2.gz GDUFNUAGSHQQFV-UHFFFAOYSA-N 1 0 330.472 2.928 50 0 EFAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)COCc1ccccc1 ZINC000077518682 203393147 /nfs/dbraw/zinc/39/31/47/203393147.db2.gz IENPGIQWRWEQFZ-HXUWFJFHSA-N 1 0 338.451 2.718 50 0 EFAARO COc1ccccc1OC1CCN(C(=O)[C@H](C)[NH+]2CCCC2)CC1 ZINC000077540154 203394438 /nfs/dbraw/zinc/39/44/38/203394438.db2.gz ZZHBZRCGUUNGSS-HNNXBMFYSA-N 1 0 332.444 2.549 50 0 EFAARO O=C(N1Cc2ccccc2[C@@H](O)C1)C1([NH+]2CCCC2)CCCCC1 ZINC000082114601 203496076 /nfs/dbraw/zinc/49/60/76/203496076.db2.gz JHZDXWHALFTYNU-SFHVURJKSA-N 1 0 328.456 2.861 50 0 EFAARO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000091476223 203635722 /nfs/dbraw/zinc/63/57/22/203635722.db2.gz MJGNYTCPEZRDGR-QZTJIDSGSA-N 1 0 344.499 2.517 50 0 EFAARO OC[C@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H]1C[NH+]1CCCCC1 ZINC000091793930 203653379 /nfs/dbraw/zinc/65/33/79/203653379.db2.gz XEUQSRGVBMKNJC-ZIAGYGMSSA-N 1 0 343.393 2.631 50 0 EFAARO Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)C(C)(C)[NH3+])c1C ZINC000091690109 203646637 /nfs/dbraw/zinc/64/66/37/203646637.db2.gz QNVDVIGAFHFHOK-OAHLLOKOSA-N 1 0 326.444 2.720 50 0 EFAARO O=C(NCC1CC[NH2+]CC1)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000096149498 203845284 /nfs/dbraw/zinc/84/52/84/203845284.db2.gz JIRARPNMNQDZCY-UHFFFAOYSA-N 1 0 333.823 2.647 50 0 EFAARO O=C(Nc1ccccc1OCc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000097506087 203948630 /nfs/dbraw/zinc/94/86/30/203948630.db2.gz NJSMTNBYDAUXQL-CALCHBBNSA-N 1 0 337.423 2.949 50 0 EFAARO COCCc1noc([C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)n1 ZINC000102541609 204040736 /nfs/dbraw/zinc/04/07/36/204040736.db2.gz XYJLAHILYWOJGJ-CYBMUJFWSA-N 1 0 341.415 2.514 50 0 EFAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(=O)[nH]c2ccccc21 ZINC000101414194 204006689 /nfs/dbraw/zinc/00/66/89/204006689.db2.gz JJMJOHPGKFUBRV-RDTXWAMCSA-N 1 0 339.439 2.935 50 0 EFAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1[C@@H]2CC[C@H]1C[C@@H](O)C2 ZINC000101947751 204026532 /nfs/dbraw/zinc/02/65/32/204026532.db2.gz WDIZMEVRPCURDT-BWTSREIZSA-N 1 0 328.456 2.800 50 0 EFAARO CC(=O)c1ccc(N2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)nc1 ZINC000106987153 204222904 /nfs/dbraw/zinc/22/29/04/204222904.db2.gz JIQDTTUQFMVPAZ-IBGZPJMESA-N 1 0 345.487 2.738 50 0 EFAARO CC(C)=CC[N@H+]1CCN(c2cc(C(C)C)nc(C)n2)C[C@@H]1CCO ZINC000106995266 204223034 /nfs/dbraw/zinc/22/30/34/204223034.db2.gz VAQYRUDGUQPPFG-KRWDZBQOSA-N 1 0 332.492 2.748 50 0 EFAARO COc1ccc([C@H](O)C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000049420894 204393988 /nfs/dbraw/zinc/39/39/88/204393988.db2.gz UNHARQAYIAICFY-HXUWFJFHSA-N 1 0 342.439 2.559 50 0 EFAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH2+]C1CCCCC1 ZINC000004338220 205705110 /nfs/dbraw/zinc/70/51/10/205705110.db2.gz GTOVOXGKRVGLKJ-UHFFFAOYSA-N 1 0 329.400 2.815 50 0 EFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000000176505 206208587 /nfs/dbraw/zinc/20/85/87/206208587.db2.gz MJJOGCTVOKSCPH-CYBMUJFWSA-N 1 0 338.835 2.944 50 0 EFAARO Cc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000000360000 206235034 /nfs/dbraw/zinc/23/50/34/206235034.db2.gz SPOQHGWLNUGWSZ-UHFFFAOYSA-N 1 0 339.439 2.764 50 0 EFAARO CO[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1OCCC[NH3+] ZINC000426386890 247272459 /nfs/dbraw/zinc/27/24/59/247272459.db2.gz LTGOWAVFUHDAHX-ZSHCYNCHSA-N 1 0 332.444 2.505 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cccnc3N)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426387753 247272887 /nfs/dbraw/zinc/27/28/87/247272887.db2.gz RJZDFGVLWSPGLF-JENIJYKNSA-N 1 0 331.460 2.602 50 0 EFAARO C[NH2+]Cc1nnc(SCC[C@@H]2CCOC2)n1-c1cccc(OC)c1 ZINC000426389873 247273913 /nfs/dbraw/zinc/27/39/13/247273913.db2.gz QEEBPDOVZXYBFJ-ZDUSSCGKSA-N 1 0 348.472 2.514 50 0 EFAARO Cc1cc(N2CCCN(C(=O)NCc3cccc(F)c3)CC2)cc[nH+]1 ZINC000426401997 247276422 /nfs/dbraw/zinc/27/64/22/247276422.db2.gz SAJAAKJJLLNMOR-UHFFFAOYSA-N 1 0 342.418 2.951 50 0 EFAARO CC[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2noc(C3CCCC3)n2)C1 ZINC000426405118 247277770 /nfs/dbraw/zinc/27/77/70/247277770.db2.gz JLVYYJFAOLTIIK-AWEZNQCLSA-N 1 0 349.479 2.601 50 0 EFAARO CC[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2noc(C3CCCC3)n2)C1 ZINC000426405119 247277906 /nfs/dbraw/zinc/27/79/06/247277906.db2.gz JLVYYJFAOLTIIK-CQSZACIVSA-N 1 0 349.479 2.601 50 0 EFAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](c2ccn(CCO)n2)C1 ZINC000426405468 247277993 /nfs/dbraw/zinc/27/79/93/247277993.db2.gz HJEYXMPIWVPXMC-KRWDZBQOSA-N 1 0 345.491 2.649 50 0 EFAARO Cc1nc(CNC(=O)c2cc(F)ccc2OCCC[NH3+])sc1C ZINC000426429780 247279534 /nfs/dbraw/zinc/27/95/34/247279534.db2.gz JLIZCASETHZQFE-UHFFFAOYSA-N 1 0 337.420 2.557 50 0 EFAARO C[C@@H](C[NH+](C)C)NC(=O)N(C)CCCOc1ccccc1Cl ZINC000426434166 247279864 /nfs/dbraw/zinc/27/98/64/247279864.db2.gz VRYKNSOQSMKAQF-ZDUSSCGKSA-N 1 0 327.856 2.700 50 0 EFAARO COC[C@@H](c1ccccn1)N(C)C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000426478065 247285337 /nfs/dbraw/zinc/28/53/37/247285337.db2.gz SQWUJUNJNKNLBU-SFHVURJKSA-N 1 0 348.491 2.531 50 0 EFAARO CN(C(=O)Nc1ccnn1C[C@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC000426475600 247285693 /nfs/dbraw/zinc/28/56/93/247285693.db2.gz XZBCRRHPXAVTJD-HNNXBMFYSA-N 1 0 331.464 2.797 50 0 EFAARO Cc1cnc(C)c(-c2ccc(C(=O)NCC[C@@H]3CCC[N@H+]3C)cc2)n1 ZINC000426485606 247286858 /nfs/dbraw/zinc/28/68/58/247286858.db2.gz KTKBYTFZTRXPOX-SFHVURJKSA-N 1 0 338.455 2.975 50 0 EFAARO CC[N@@H+]1CCC[C@](C)(C(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000426489982 247287174 /nfs/dbraw/zinc/28/71/74/247287174.db2.gz GAFDDVYAYSAQDF-FQEVSTJZSA-N 1 0 329.488 2.985 50 0 EFAARO Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000426513591 247290527 /nfs/dbraw/zinc/29/05/27/247290527.db2.gz GXRVHAPYVNLZOW-AWEZNQCLSA-N 1 0 330.432 2.689 50 0 EFAARO CC(C)[NH+]1CCC(CCNC(=O)N2CC(c3ccccn3)C2)CC1 ZINC000426567121 247292697 /nfs/dbraw/zinc/29/26/97/247292697.db2.gz QNZJVVKWEBSKCX-UHFFFAOYSA-N 1 0 330.476 2.701 50 0 EFAARO O=C(NCc1cccc2[nH]ccc21)C1CC[NH+](C2CCOCC2)CC1 ZINC000426369480 247268844 /nfs/dbraw/zinc/26/88/44/247268844.db2.gz ZQSRSGBRJDCRIQ-UHFFFAOYSA-N 1 0 341.455 2.675 50 0 EFAARO COc1ccc(OC)c(COC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000012420186 211374221 /nfs/dbraw/zinc/37/42/21/211374221.db2.gz FACHZQKKZVGCFY-UXLLHSPISA-N 1 0 337.460 2.559 50 0 EFAARO CCCN1CCC[C@@]2(CC[N@H+](Cc3nc(-c4ccco4)no3)C2)C1=O ZINC000091433987 218005101 /nfs/dbraw/zinc/00/51/01/218005101.db2.gz JOKODQHLAIIJDE-SFHVURJKSA-N 1 0 344.415 2.554 50 0 EFAARO CC(C)(C)c1cc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)[nH]n1 ZINC000091452599 218009169 /nfs/dbraw/zinc/00/91/69/218009169.db2.gz BKAMPHXPCGZWAA-IAGOWNOFSA-N 1 0 348.535 2.624 50 0 EFAARO Cn1cc(C[N@H+](C)C[C@@H]2COCCO2)c(-c2cccc(Cl)c2)n1 ZINC000011841446 211254644 /nfs/dbraw/zinc/25/46/44/211254644.db2.gz FMAWQIKCFCGZKC-MRXNPFEDSA-N 1 0 335.835 2.588 50 0 EFAARO Cc1c(C[NH2+]Cc2cccnc2N2CCOCC2)[nH]c2ccccc21 ZINC000011763293 211244533 /nfs/dbraw/zinc/24/45/33/211244533.db2.gz ZIFWAZNFRICNGW-UHFFFAOYSA-N 1 0 336.439 2.998 50 0 EFAARO O[C@]12CC[NH2+]C[C@H]1CN(Cc1ccccc1OC1CCCC1)CC2 ZINC000091858856 218078610 /nfs/dbraw/zinc/07/86/10/218078610.db2.gz FQUDVHXPTVXWIA-PXNSSMCTSA-N 1 0 330.472 2.554 50 0 EFAARO COc1ccc([C@H]2CN(C(=O)c3ccccc3SC)C[C@@H]2[NH3+])cc1 ZINC000091871865 218080740 /nfs/dbraw/zinc/08/07/40/218080740.db2.gz GIAKKLYHTDKOKH-SJORKVTESA-N 1 0 342.464 2.984 50 0 EFAARO Cc1cc(C(=O)N(CC[NH+](C)C)c2nc3ccccc3s2)nn1C ZINC000012229199 207080988 /nfs/dbraw/zinc/08/09/88/207080988.db2.gz OQKKHXHYJMBHFF-UHFFFAOYSA-N 1 0 343.456 2.547 50 0 EFAARO CCOC(=O)C1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000012304331 207101849 /nfs/dbraw/zinc/10/18/49/207101849.db2.gz SBOMSWICPRIHKD-UHFFFAOYSA-N 1 0 345.399 2.520 50 0 EFAARO COc1cccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1OC ZINC000012348472 207111961 /nfs/dbraw/zinc/11/19/61/207111961.db2.gz IFQOJHNDJIJYRJ-AWEZNQCLSA-N 1 0 334.441 2.798 50 0 EFAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc2scnc2c1 ZINC000175879193 207169963 /nfs/dbraw/zinc/16/99/63/207169963.db2.gz OXEZUDNDCWZLLL-AWEZNQCLSA-N 1 0 348.472 2.871 50 0 EFAARO COc1ccc(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000013011269 207273761 /nfs/dbraw/zinc/27/37/61/207273761.db2.gz CXCZJXQMGGJQPF-HNNXBMFYSA-N 1 0 348.468 2.727 50 0 EFAARO COc1ccc(OCC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000013011280 207274034 /nfs/dbraw/zinc/27/40/34/207274034.db2.gz GMZQYITWCKMYTL-MRXNPFEDSA-N 1 0 334.441 2.555 50 0 EFAARO COc1ccccc1OCC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000013011278 207274191 /nfs/dbraw/zinc/27/41/91/207274191.db2.gz QVEUWKBSVWVHMH-AWEZNQCLSA-N 1 0 334.441 2.555 50 0 EFAARO COCCN1C[C@]2(CCC[N@H+](Cc3ccccc3OC)C2)CCC1=O ZINC000077298606 285063583 /nfs/dbraw/zinc/06/35/83/285063583.db2.gz BRNAKSKZGSKJLO-HXUWFJFHSA-N 1 0 346.471 2.546 50 0 EFAARO CC1(C)CC(NC(=O)CC2(n3cccc3)CCOCC2)CC(C)(C)[NH2+]1 ZINC000263587010 257842007 /nfs/dbraw/zinc/84/20/07/257842007.db2.gz BBKBKDHKMPJILM-UHFFFAOYSA-N 1 0 347.503 2.809 50 0 EFAARO CN(Cc1ccc2ccccc2n1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000426580940 257962533 /nfs/dbraw/zinc/96/25/33/257962533.db2.gz IBANDFXNOJJMMB-UHFFFAOYSA-N 1 0 328.460 2.964 50 0 EFAARO O=C(NCc1cccc(F)c1)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000426443527 257968221 /nfs/dbraw/zinc/96/82/21/257968221.db2.gz ZGBFKTMENCUXRK-GOSISDBHSA-N 1 0 349.450 2.612 50 0 EFAARO O=C(CSC[C@H]1CCC[N@@H+]2CCCC[C@H]12)NCCc1ccccn1 ZINC000334161093 258015770 /nfs/dbraw/zinc/01/57/70/258015770.db2.gz SUUHDEJURSMEOQ-SJLPKXTDSA-N 1 0 347.528 2.738 50 0 EFAARO COc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]([NH3+])C2)cn1 ZINC000299771912 258084339 /nfs/dbraw/zinc/08/43/39/258084339.db2.gz XUCBKHQIOHZJFW-CYBMUJFWSA-N 1 0 342.399 2.838 50 0 EFAARO Cc1cccc(N2CCC(NC(=O)C[N@@H+]3C[C@@H]4CC[C@H]3C4)CC2)c1 ZINC000299773376 258085194 /nfs/dbraw/zinc/08/51/94/258085194.db2.gz GFFXMEPQGQWFFF-APWZRJJASA-N 1 0 327.472 2.564 50 0 EFAARO CSc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000299774897 258085231 /nfs/dbraw/zinc/08/52/31/258085231.db2.gz JLFMUTMGJIWXQS-INIZCTEOSA-N 1 0 334.485 2.782 50 0 EFAARO C[C@@H](O)C(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000299778467 258088127 /nfs/dbraw/zinc/08/81/27/258088127.db2.gz QMEZXIGONGKXEA-MRXNPFEDSA-N 1 0 338.451 2.815 50 0 EFAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000299778423 258088511 /nfs/dbraw/zinc/08/85/11/258088511.db2.gz OWYBJKWVSGFZPD-OAHLLOKOSA-N 1 0 339.443 2.963 50 0 EFAARO O=C1CC[C@H](CC[NH2+]Cc2ccccn2)N1CCc1ccccc1F ZINC000299779256 258088853 /nfs/dbraw/zinc/08/88/53/258088853.db2.gz SXSPVARFWLXOQK-GOSISDBHSA-N 1 0 341.430 2.934 50 0 EFAARO Cc1cc2cccc(NC(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)c2o1 ZINC000299781046 258089944 /nfs/dbraw/zinc/08/99/44/258089944.db2.gz VGGQMVPPDJBYLW-HOTGVXAUSA-N 1 0 329.400 2.726 50 0 EFAARO CN(CCc1cn[nH]c1)C(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000299781501 258090032 /nfs/dbraw/zinc/09/00/32/258090032.db2.gz VZVMXBBXYQKTIR-UHFFFAOYSA-N 1 0 340.471 2.713 50 0 EFAARO Cc1cnn(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)c1 ZINC000299781601 258090221 /nfs/dbraw/zinc/09/02/21/258090221.db2.gz DXBAGTSGIMGULX-IBGZPJMESA-N 1 0 340.471 2.925 50 0 EFAARO Cc1ccccc1CC1(NC(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000299788783 258094864 /nfs/dbraw/zinc/09/48/64/258094864.db2.gz XJOPYLOYORNBAZ-GOSISDBHSA-N 1 0 343.515 2.602 50 0 EFAARO Cc1nc(C(C)C)sc1CNC(=O)CC[C@H](C)[NH+]1CCOCC1 ZINC000299788304 258094944 /nfs/dbraw/zinc/09/49/44/258094944.db2.gz RSAPCGQBEKCOIP-ZDUSSCGKSA-N 1 0 339.505 2.692 50 0 EFAARO c1cnn(-c2cccc(C[NH+]3CCC(Oc4ncccn4)CC3)c2)c1 ZINC000299789526 258095496 /nfs/dbraw/zinc/09/54/96/258095496.db2.gz YYORZKQBYVELGX-UHFFFAOYSA-N 1 0 335.411 2.706 50 0 EFAARO COc1cccc(C(=O)N[C@@H](C)c2ccc(C)nc2)c1OCCC[NH3+] ZINC000299790583 258096270 /nfs/dbraw/zinc/09/62/70/258096270.db2.gz AVTDKGYFWKVNBN-AWEZNQCLSA-N 1 0 343.427 2.617 50 0 EFAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000299792067 258097532 /nfs/dbraw/zinc/09/75/32/258097532.db2.gz FCBZVEAPXHTZTI-OAHLLOKOSA-N 1 0 339.443 2.963 50 0 EFAARO C[NH+]1CCC(CNC(=O)[C@H](O)C2CCCCC2)(c2ccccc2)CC1 ZINC000299792586 258097977 /nfs/dbraw/zinc/09/79/77/258097977.db2.gz GHPLJFKEQBTQKV-LJQANCHMSA-N 1 0 344.499 2.707 50 0 EFAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)NCc1cc(C2CC2)on1 ZINC000299795215 258099581 /nfs/dbraw/zinc/09/95/81/258099581.db2.gz KWMYSQVYNQIXBY-UHFFFAOYSA-N 1 0 349.818 2.863 50 0 EFAARO C[C@@H](Cc1cnccn1)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)o1 ZINC000299795591 258099777 /nfs/dbraw/zinc/09/97/77/258099777.db2.gz MJANKEGTKOUVEL-HNNXBMFYSA-N 1 0 342.443 2.663 50 0 EFAARO CO[C@]12CC[N@H+](Cc3ccc4cc(F)ccc4n3)[C@H]1C[C@H](O)CC2 ZINC000299798166 258101836 /nfs/dbraw/zinc/10/18/36/258101836.db2.gz QYUOPHKIURNNEV-NZSAHSFTSA-N 1 0 330.403 2.878 50 0 EFAARO CCn1c2ccccc2nc1C[N@@H+]1CC[C@]2(OC)CC[C@H](O)C[C@H]12 ZINC000299799735 258102883 /nfs/dbraw/zinc/10/28/83/258102883.db2.gz ZOLXXSDIZFPQOJ-UCLAIMLFSA-N 1 0 329.444 2.561 50 0 EFAARO Cc1nnc(CNC(=O)c2cccc(C[NH+]3CCCCCC3)c2)o1 ZINC000299799281 258103222 /nfs/dbraw/zinc/10/32/22/258103222.db2.gz SCSQIHIDWLWEDK-UHFFFAOYSA-N 1 0 328.416 2.684 50 0 EFAARO Cc1nc2cc(CNC(=O)c3ccc(OCCC[NH3+])cc3)ccc2[nH]1 ZINC000299800193 258103530 /nfs/dbraw/zinc/10/35/30/258103530.db2.gz UBWMCCKTINOLJQ-UHFFFAOYSA-N 1 0 338.411 2.529 50 0 EFAARO CCCCCc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)[C@@H](O)C2)cc1 ZINC000299802026 258104809 /nfs/dbraw/zinc/10/48/09/258104809.db2.gz ZXPMQJWVEXFKRM-ROUUACIJSA-N 1 0 333.476 2.948 50 0 EFAARO C[C@@H](C[N@@H+]1CCn2nc(CNc3cnccn3)cc2C1)c1ccccc1 ZINC000299801799 258105053 /nfs/dbraw/zinc/10/50/53/258105053.db2.gz ZGCLPZGXWIUKHA-INIZCTEOSA-N 1 0 348.454 2.905 50 0 EFAARO CCOCc1nc2c(c(N[C@H](CC)c3cccnc3)n1)CC[NH2+]CC2 ZINC000072470511 258064655 /nfs/dbraw/zinc/06/46/55/258064655.db2.gz ARFKXYCSUIGEJP-MRXNPFEDSA-N 1 0 341.459 2.660 50 0 EFAARO Cc1[nH]c2c(cccc2C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1C ZINC000096164979 258067707 /nfs/dbraw/zinc/06/77/07/258067707.db2.gz PMWOEQBZELHRPX-MRXNPFEDSA-N 1 0 343.471 2.968 50 0 EFAARO CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cc4ccccc4[nH]3)CC2)O1 ZINC000299755719 258074450 /nfs/dbraw/zinc/07/44/50/258074450.db2.gz CCBWLKNCHAWJTH-GOSISDBHSA-N 1 0 341.455 2.818 50 0 EFAARO COc1ccccc1OCC[N@H+]1CC[C@]2(OC)CC[C@@H](OC)C[C@H]12 ZINC000299757558 258075497 /nfs/dbraw/zinc/07/54/97/258075497.db2.gz GWSQWANRLOAFRK-AYOQOUSVSA-N 1 0 335.444 2.732 50 0 EFAARO COc1ccc(C)cc1NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000299758727 258075779 /nfs/dbraw/zinc/07/57/79/258075779.db2.gz LHUPGJICXFNTPY-MRXNPFEDSA-N 1 0 347.459 2.769 50 0 EFAARO COc1ccc(C[NH2+]Cc2cccnc2)cc1OC[C@@H]1CCOC1 ZINC000299760225 258077595 /nfs/dbraw/zinc/07/75/95/258077595.db2.gz SXEHEGCIRGIFDK-QGZVFWFLSA-N 1 0 328.412 2.795 50 0 EFAARO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH2+]CC2 ZINC000299761377 258077842 /nfs/dbraw/zinc/07/78/42/258077842.db2.gz KQBJSOHXYFZEAU-UHFFFAOYSA-N 1 0 337.423 2.746 50 0 EFAARO Cc1nnc([C@H](C)NC(=O)c2cccc(C[NH+]3CCCCCC3)c2)[nH]1 ZINC000299761603 258078505 /nfs/dbraw/zinc/07/85/05/258078505.db2.gz WUDUQWPMOJNPMT-AWEZNQCLSA-N 1 0 341.459 2.980 50 0 EFAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccn2)N1Cc1ccc(F)cc1 ZINC000299764735 258079945 /nfs/dbraw/zinc/07/99/45/258079945.db2.gz KGMQTSRFEHEWNB-SFHVURJKSA-N 1 0 327.403 2.892 50 0 EFAARO FC(F)(F)c1nnc(N2CC[NH+](C3CCSCC3)CC2)s1 ZINC000299766107 258080619 /nfs/dbraw/zinc/08/06/19/258080619.db2.gz AEELUENJDZYNDV-UHFFFAOYSA-N 1 0 338.424 2.575 50 0 EFAARO CN(CC[NH+](C)C)C(=O)c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1 ZINC000299765634 258080951 /nfs/dbraw/zinc/08/09/51/258080951.db2.gz BHJAKYJWCQKTPH-UHFFFAOYSA-N 1 0 340.349 2.729 50 0 EFAARO COc1ccc2[nH]c(C[N@@H+]3CC[C@]4(OC)CC[C@@H](O)C[C@H]34)c(C)c2c1 ZINC000299768692 258082831 /nfs/dbraw/zinc/08/28/31/258082831.db2.gz PUXIGZGAXQBNGG-VOBQZIQPSA-N 1 0 344.455 2.989 50 0 EFAARO COC(=O)c1csc2c1nc(N1CC[NH2+]CC1)cc2C(F)(F)F ZINC000000082952 274009054 /nfs/dbraw/zinc/00/90/54/274009054.db2.gz QFXQBEWPHDCJBH-UHFFFAOYSA-N 1 0 345.346 2.511 50 0 EFAARO COc1ccc(F)cc1C[N@@H+]1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095371599 274112385 /nfs/dbraw/zinc/11/23/85/274112385.db2.gz YLAICBABEZOLGO-YLJYHZDGSA-N 1 0 343.398 2.805 50 0 EFAARO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000036047210 274112930 /nfs/dbraw/zinc/11/29/30/274112930.db2.gz WWHFQRGCCRXFNB-JLSDUUJJSA-N 1 0 342.439 2.982 50 0 EFAARO COc1ccc([C@@H]2CN(c3ncnc4[nH]ccc43)C[C@H]2[NH+](C)C)cc1 ZINC000091416635 274116906 /nfs/dbraw/zinc/11/69/06/274116906.db2.gz MVYGUEAOURYHNV-DLBZAZTESA-N 1 0 337.427 2.501 50 0 EFAARO C[C@@H](CCC(=O)NC1(c2ccc(Cl)cc2)CC1)[NH+]1CCOCC1 ZINC000299763447 274208101 /nfs/dbraw/zinc/20/81/01/274208101.db2.gz VQVGBGWVIVFZOM-AWEZNQCLSA-N 1 0 336.863 2.946 50 0 EFAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]12CC[N@@H+](C1CCOCC1)C2 ZINC000015069205 275021499 /nfs/dbraw/zinc/02/14/99/275021499.db2.gz OPOGMXKCHMJOLL-HXUWFJFHSA-N 1 0 346.446 2.819 50 0 EFAARO CC(C)[C@](C)([NH3+])C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000067856805 275718211 /nfs/dbraw/zinc/71/82/11/275718211.db2.gz PTCDKURRKVCIFF-SFHVURJKSA-N 1 0 346.862 2.988 50 0 EFAARO COc1ccc2c(c1)[nH]cc2[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000019874283 277994101 /nfs/dbraw/zinc/99/41/01/277994101.db2.gz KLTQBYJBTFFGOR-MRXNPFEDSA-N 1 0 332.367 2.623 50 0 EFAARO COc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000067982274 278057498 /nfs/dbraw/zinc/05/74/98/278057498.db2.gz NUMCUZMFFKYEGV-INIZCTEOSA-N 1 0 340.427 2.734 50 0 EFAARO CC(C)c1nc2oc3c(ncnc3N3CC[NH2+]CC3)c2c2c1CCC2 ZINC000002200470 278078453 /nfs/dbraw/zinc/07/84/53/278078453.db2.gz WNCZMEQBYLXDHB-UHFFFAOYSA-N 1 0 337.427 2.793 50 0 EFAARO CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H]([NH2+]C2CCCC2)C1 ZINC000011879508 278398302 /nfs/dbraw/zinc/39/83/02/278398302.db2.gz LMWOEBCWOGAIJE-KRWDZBQOSA-N 1 0 344.503 2.983 50 0 EFAARO Cc1cc(N2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)nc(N)[nH+]1 ZINC000092066707 278715269 /nfs/dbraw/zinc/71/52/69/278715269.db2.gz SKSDGCBNRPDISR-LJQANCHMSA-N 1 0 343.475 2.519 50 0 EFAARO C[C@H](C1CCN(c2cc(C(=O)N3CCCCC3)ccn2)CC1)[NH+](C)C ZINC000096131606 279243337 /nfs/dbraw/zinc/24/33/37/279243337.db2.gz VVJGDZGSSTVHRP-MRXNPFEDSA-N 1 0 344.503 2.874 50 0 EFAARO COc1cc2c(c(OC)c1OC)[C@@H]([C@H]1CC[C@@H]([NH3+])CC1)CC(=O)N2 ZINC000244764116 295031711 /nfs/dbraw/zinc/03/17/11/295031711.db2.gz PBQPBNMOJJZCNT-GRYCIOLGSA-N 1 0 334.416 2.656 50 0 EFAARO COc1ccc(-c2ccccc2N2CC[NH2+]CC2)c(OC)c1OC ZINC000067588982 295047409 /nfs/dbraw/zinc/04/74/09/295047409.db2.gz IMONRXHJDMPCFD-UHFFFAOYSA-N 1 0 328.412 2.789 50 0 EFAARO Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000020762377 295360151 /nfs/dbraw/zinc/36/01/51/295360151.db2.gz WETNHZVOLPIATI-YJBOKZPZSA-N 1 0 339.487 2.699 50 0 biogenic EFAARO O[C@@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1ccccc1Cl ZINC000005685429 323210719 /nfs/dbraw/zinc/21/07/19/323210719.db2.gz UZEMNULQSDGRJD-KBPBESRZSA-N 1 0 349.814 2.509 50 0 EFAARO CC[N@@H+]1C[C@H](Nc2nc(-c3ccccc3)nc3c2CCC3)[C@@H](OC)C1 ZINC000534656879 468271388 /nfs/dbraw/zinc/27/13/88/468271388.db2.gz MKSOHXLHLUEAAP-ROUUACIJSA-N 1 0 338.455 2.763 50 0 EFAARO Cc1ccc([C@@H](CNC(=O)N2CCOCC2)[NH+]2CCC(C)CC2)cc1 ZINC000040615805 472038378 /nfs/dbraw/zinc/03/83/78/472038378.db2.gz DEOUWYOJJWZBOK-LJQANCHMSA-N 1 0 345.487 2.810 50 0 EFAARO Cc1cc(N2CCc3onc(-c4cccc(F)c4)c3C2)nc(N)[nH+]1 ZINC000071315698 472548482 /nfs/dbraw/zinc/54/84/82/472548482.db2.gz LCZIWVJVNBQUHP-UHFFFAOYSA-N 1 0 325.347 2.724 50 0 EFAARO COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCC[N@H+](C)C1)CC(C)(C)O2 ZINC000071385320 472549150 /nfs/dbraw/zinc/54/91/50/472549150.db2.gz OWYFHFOLBDKMHL-BBRMVZONSA-N 1 0 332.444 2.755 50 0 EFAARO CSCC[NH+]1CCC(NC(=O)[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095502815 473214820 /nfs/dbraw/zinc/21/48/20/473214820.db2.gz XYVUHFSLFBSKJC-MRXNPFEDSA-N 1 0 348.512 2.571 50 0 EFAARO CSCC[NH+]1CCC(NC(=O)[C@H]2CCOc3ccccc3C2)CC1 ZINC000095502816 473215035 /nfs/dbraw/zinc/21/50/35/473215035.db2.gz XYVUHFSLFBSKJC-INIZCTEOSA-N 1 0 348.512 2.571 50 0 EFAARO C[C@@H]([NH2+]C1CCN(c2ncnc3ccsc32)CC1)c1ccncn1 ZINC000095505881 473215413 /nfs/dbraw/zinc/21/54/13/473215413.db2.gz GQZVLMRKIHDFIV-GFCCVEGCSA-N 1 0 340.456 2.801 50 0 EFAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000095507710 473216554 /nfs/dbraw/zinc/21/65/54/473216554.db2.gz VMQDBCFSVVJAEK-INIZCTEOSA-N 1 0 347.507 2.666 50 0 EFAARO CCn1nc(CNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)c2ccccc21 ZINC000095508842 473216679 /nfs/dbraw/zinc/21/66/79/473216679.db2.gz NWKDFVVMOISNHD-OAHLLOKOSA-N 1 0 328.460 2.793 50 0 EFAARO COC(=O)c1ccc(NC(=O)NCC[C@H]2CCC[N@@H+]2C)c(Cl)c1 ZINC000095516386 473217615 /nfs/dbraw/zinc/21/76/15/473217615.db2.gz MCRNMZGHOGZNGL-GFCCVEGCSA-N 1 0 339.823 2.732 50 0 EFAARO CCC[C@@H]1CN(C(=O)CCC(=O)c2ccc(F)cc2)C[C@H]1[NH+](C)C ZINC000095517625 473217989 /nfs/dbraw/zinc/21/79/89/473217989.db2.gz XATYKMUJRFUPAP-NVXWUHKLSA-N 1 0 334.435 2.977 50 0 EFAARO COc1ccc2c(c1)OC[C@]1(CO)C[N@@H+](CCCC(F)(F)F)C[C@H]21 ZINC000095529691 473220727 /nfs/dbraw/zinc/22/07/27/473220727.db2.gz DQBWTPVYFQOULJ-GDBMZVCRSA-N 1 0 345.361 2.808 50 0 EFAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(c2nnc[nH]2)CC1 ZINC000095530462 473222220 /nfs/dbraw/zinc/22/22/20/473222220.db2.gz OJYDLVMSMJTKNF-DOTOQJQBSA-N 1 0 345.491 2.555 50 0 EFAARO [NH3+][C@@H]1CCCCN(c2nnnn2-c2ccc(-c3ccccc3)cc2)C1 ZINC000082083775 473286180 /nfs/dbraw/zinc/28/61/80/473286180.db2.gz BYAGKQVMHRKOPA-QGZVFWFLSA-N 1 0 334.427 2.647 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)CCOc2ccccc2)CC1 ZINC000082092572 473288019 /nfs/dbraw/zinc/28/80/19/473288019.db2.gz XFRGZEATWYGOMN-UHFFFAOYSA-N 1 0 339.439 2.898 50 0 EFAARO OC[C@@H]1CCCC[N@@H+]1CCn1cc(-c2ccc3ccccc3c2)nn1 ZINC000082098541 473288231 /nfs/dbraw/zinc/28/82/31/473288231.db2.gz RJPFUKILMAIHCU-IBGZPJMESA-N 1 0 336.439 2.945 50 0 EFAARO O=c1c2c3c(sc2ncn1Cc1ccc2ccccc2n1)C[NH2+]CC3 ZINC000082096734 473288265 /nfs/dbraw/zinc/28/82/65/473288265.db2.gz LNATXQWOFZYJSN-UHFFFAOYSA-N 1 0 348.431 2.700 50 0 EFAARO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1C ZINC000082107806 473289617 /nfs/dbraw/zinc/28/96/17/473289617.db2.gz OEMPKFPRRRPTSE-OAQYLSRUSA-N 1 0 344.499 2.890 50 0 EFAARO Cc1ccc2[nH]c(C[NH2+][C@H]3CCOC4(CCOCC4)C3)nc2c1C ZINC000082109706 473290647 /nfs/dbraw/zinc/29/06/47/473290647.db2.gz LWJSOUVJVPKNEB-HNNXBMFYSA-N 1 0 329.444 2.998 50 0 EFAARO c1c(CNc2ncccn2)nn2c1C[N@H+](C1CCCCC1)CCC2 ZINC000082109585 473290673 /nfs/dbraw/zinc/29/06/73/473290673.db2.gz MGMDXFCEVNITKU-UHFFFAOYSA-N 1 0 326.448 2.824 50 0 EFAARO CSCc1nc(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)cs1 ZINC000082108057 473291459 /nfs/dbraw/zinc/29/14/59/473291459.db2.gz BXFTXEDAZUNCOP-CYBMUJFWSA-N 1 0 342.530 2.866 50 0 EFAARO C[NH2+][C@@H](C(=O)N1CC(Oc2ccccc2Cl)C1)c1ccccc1 ZINC000082120956 473291821 /nfs/dbraw/zinc/29/18/21/473291821.db2.gz OKIIQNRDAUYLBY-QGZVFWFLSA-N 1 0 330.815 2.890 50 0 EFAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)[C@H](c1ccccc1)C1CCCC1 ZINC000082136720 473293683 /nfs/dbraw/zinc/29/36/83/473293683.db2.gz YUKVTUMAVDUTGV-LJQANCHMSA-N 1 0 338.455 2.577 50 0 EFAARO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000082127858 473294204 /nfs/dbraw/zinc/29/42/04/473294204.db2.gz JIJNTSWZQNHTDK-QGZVFWFLSA-N 1 0 334.423 2.955 50 0 EFAARO Cc1cc(C)n(CC2(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)n1 ZINC000082137025 473294215 /nfs/dbraw/zinc/29/42/15/473294215.db2.gz VMBQTGKBRJPXQS-QGZVFWFLSA-N 1 0 333.476 2.598 50 0 EFAARO COc1ccc(F)c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1F ZINC000082155721 473295867 /nfs/dbraw/zinc/29/58/67/473295867.db2.gz PYZBGRLUVMBNRD-LBPRGKRZSA-N 1 0 327.371 2.791 50 0 EFAARO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(c2nccn2CC2CC2)CC1 ZINC000082160573 473297251 /nfs/dbraw/zinc/29/72/51/473297251.db2.gz ACSQLBONRBJJME-OAHLLOKOSA-N 1 0 344.503 2.920 50 0 EFAARO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(c2nccn2CC2CC2)CC1 ZINC000082160571 473297702 /nfs/dbraw/zinc/29/77/02/473297702.db2.gz ACSQLBONRBJJME-HNNXBMFYSA-N 1 0 344.503 2.920 50 0 EFAARO CC(C)Cc1cc(C(=O)N(C)[C@H](C[NH+](C)C)c2ccccc2)n(C)n1 ZINC000082156304 473297812 /nfs/dbraw/zinc/29/78/12/473297812.db2.gz WRHOCHNGYKVABN-LJQANCHMSA-N 1 0 342.487 2.994 50 0 EFAARO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000146332235 473298234 /nfs/dbraw/zinc/29/82/34/473298234.db2.gz XVGAIUQGUPGMIU-AWEZNQCLSA-N 1 0 340.464 2.661 50 0 EFAARO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000146332016 473299085 /nfs/dbraw/zinc/29/90/85/473299085.db2.gz XVGAIUQGUPGMIU-CQSZACIVSA-N 1 0 340.464 2.661 50 0 EFAARO C[NH+](C)CCCOc1ccc(-c2ccc(N3CCOCC3)cc2)cn1 ZINC000096137061 473310939 /nfs/dbraw/zinc/31/09/39/473310939.db2.gz FOXWHNNTKANQSV-UHFFFAOYSA-N 1 0 341.455 2.916 50 0 EFAARO C[N@@H+]1CCCN(C(=O)[C@@H](Cc2ccc(O)cc2)c2ccccc2)CC1 ZINC000096137215 473311607 /nfs/dbraw/zinc/31/16/07/473311607.db2.gz HSKAEQAVZVYSCC-FQEVSTJZSA-N 1 0 338.451 2.883 50 0 EFAARO CCCc1cc(N2CCC([NH2+]Cc3cc(C)nn3C)CC2)nc(C)n1 ZINC000096138230 473311643 /nfs/dbraw/zinc/31/16/43/473311643.db2.gz ZZGFKYUEFVJKMS-UHFFFAOYSA-N 1 0 342.491 2.538 50 0 EFAARO CC[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)CC[N@@H+]1C(C)C ZINC000096141225 473312946 /nfs/dbraw/zinc/31/29/46/473312946.db2.gz PNFKDGGDVZJTDE-QGZVFWFLSA-N 1 0 330.476 2.627 50 0 EFAARO CC[C@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)CC[N@@H+]1C(C)C ZINC000096141226 473313215 /nfs/dbraw/zinc/31/32/15/473313215.db2.gz PNFKDGGDVZJTDE-KRWDZBQOSA-N 1 0 330.476 2.627 50 0 EFAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3cccnc3c2)C1 ZINC000096149985 473314110 /nfs/dbraw/zinc/31/41/10/473314110.db2.gz WUTROTZWXIZCQV-HNNXBMFYSA-N 1 0 342.443 2.715 50 0 EFAARO COCCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3cccnc3c2)C1 ZINC000096149984 473315003 /nfs/dbraw/zinc/31/50/03/473315003.db2.gz WUTROTZWXIZCQV-OAHLLOKOSA-N 1 0 342.443 2.715 50 0 EFAARO Cc1nc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000096167041 473323258 /nfs/dbraw/zinc/32/32/58/473323258.db2.gz OJYFPNCKJOGXPK-CYBMUJFWSA-N 1 0 335.498 2.836 50 0 EFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000000176273 471331268 /nfs/dbraw/zinc/33/12/68/471331268.db2.gz DIPYKFHAIZSMGP-QGZVFWFLSA-N 1 0 344.455 2.779 50 0 EFAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000000176258 471331437 /nfs/dbraw/zinc/33/14/37/471331437.db2.gz HJCKSXVTNQDGGU-UHFFFAOYSA-N 1 0 340.370 2.569 50 0 EFAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc(C)ccc2C)C1 ZINC000000176318 471331811 /nfs/dbraw/zinc/33/18/11/471331811.db2.gz NIGJPTCHWRQBHJ-INIZCTEOSA-N 1 0 332.444 2.907 50 0 EFAARO CC(C)CCNC(=O)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000000299277 471344719 /nfs/dbraw/zinc/34/47/19/471344719.db2.gz YZVTUNKEJKCCHK-UHFFFAOYSA-N 1 0 332.444 2.790 50 0 EFAARO COc1cc(OC)cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000000350361 471350043 /nfs/dbraw/zinc/35/00/43/471350043.db2.gz DDCXDFCSGZSAMR-UHFFFAOYSA-N 1 0 332.444 2.794 50 0 EFAARO C[NH+]1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000000515004 471367992 /nfs/dbraw/zinc/36/79/92/471367992.db2.gz YLVLBALXFSJBIB-UHFFFAOYSA-N 1 0 336.650 2.747 50 0 EFAARO CC[NH+](CC)C[C@@H](C)OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000001879864 471399062 /nfs/dbraw/zinc/39/90/62/471399062.db2.gz XGMLBSQKOYUTEI-GFCCVEGCSA-N 1 0 325.405 2.600 50 0 EFAARO CCOc1ccc2[nH]c3c(ncn(CC[NH+](CC)CC)c3=O)c2c1 ZINC000002325961 471405859 /nfs/dbraw/zinc/40/58/59/471405859.db2.gz WSMWCIPUZTYPDE-UHFFFAOYSA-N 1 0 328.416 2.618 50 0 EFAARO Cc1ccc(OC[C@H](O)C[N@H+](CCO)Cc2ccccc2)c(C)c1 ZINC000002451843 471407924 /nfs/dbraw/zinc/40/79/24/471407924.db2.gz DIRFDJONDWSQAR-LJQANCHMSA-N 1 0 329.440 2.538 50 0 EFAARO OCCC[NH2+]C[C@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000002495420 471410014 /nfs/dbraw/zinc/41/00/14/471410014.db2.gz WTKGATGXKIDLBE-AWEZNQCLSA-N 1 0 330.453 2.622 50 0 EFAARO COc1cccc(-c2cc(C(F)(F)F)nc(N3CC[NH2+]CC3)n2)c1 ZINC000002554513 471411628 /nfs/dbraw/zinc/41/16/28/471411628.db2.gz RSIDYVYIIJMCNE-UHFFFAOYSA-N 1 0 338.333 2.581 50 0 EFAARO COC(=O)c1ccc(OC[C@H](O)C[NH+](CC(C)C)CC(C)C)cc1 ZINC000002946862 471428396 /nfs/dbraw/zinc/42/83/96/471428396.db2.gz HFOMKNHRTGZESV-QGZVFWFLSA-N 1 0 337.460 2.827 50 0 EFAARO C[NH+]1CCN(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CC1 ZINC000003116715 471433151 /nfs/dbraw/zinc/43/31/51/471433151.db2.gz PTUPHYVNUUPZNG-UHFFFAOYSA-N 1 0 331.366 2.969 50 0 EFAARO COC(=O)C1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000003421218 471445529 /nfs/dbraw/zinc/44/55/29/471445529.db2.gz UCKNTZUMSJJSMC-UHFFFAOYSA-N 1 0 341.407 2.667 50 0 biogenic EFAARO Cc1cc(=O)oc2cc(OC[C@H](O)C[N@H+]3CCCC[C@@H]3C)ccc12 ZINC000004393062 471465350 /nfs/dbraw/zinc/46/53/50/471465350.db2.gz KYKUPUDMOQVOCQ-LSDHHAIUSA-N 1 0 331.412 2.716 50 0 EFAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)CC[NH+]1CCCCC1 ZINC000004503577 471466973 /nfs/dbraw/zinc/46/69/73/471466973.db2.gz JRLLVJYNJAYYDE-UHFFFAOYSA-N 1 0 329.400 2.769 50 0 EFAARO Cc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)s1 ZINC000004488585 471467330 /nfs/dbraw/zinc/46/73/30/471467330.db2.gz SGSZWADBSFDKBZ-UHFFFAOYSA-N 1 0 331.470 2.914 50 0 EFAARO CC1(C)CC(NS(=O)(=O)c2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000004594026 471469275 /nfs/dbraw/zinc/46/92/75/471469275.db2.gz KNJKZLPXGQJFLE-UHFFFAOYSA-N 1 0 330.881 2.928 50 0 EFAARO CC[NH+](CC)CCOC(=O)c1ccccc1I ZINC000004664768 471470875 /nfs/dbraw/zinc/47/08/75/471470875.db2.gz YBOINLHVOAMYNS-UHFFFAOYSA-N 1 0 347.196 2.790 50 0 EFAARO COc1ccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)cc1OC ZINC000004725483 471472114 /nfs/dbraw/zinc/47/21/14/471472114.db2.gz HFOJAHSSAWEDMS-UHFFFAOYSA-N 1 0 334.460 2.688 50 0 EFAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)c2ccco2)c1=N ZINC000004793543 471475289 /nfs/dbraw/zinc/47/52/89/471475289.db2.gz OGNHKPNBIHINDP-QGZVFWFLSA-N 1 0 342.443 2.591 50 0 EFAARO O=C1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 ZINC000005024760 471482865 /nfs/dbraw/zinc/48/28/65/471482865.db2.gz VSJHOQPEROZCOF-HNNXBMFYSA-N 1 0 332.762 2.901 50 0 EFAARO c1csc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c1 ZINC000004993788 471483564 /nfs/dbraw/zinc/48/35/64/471483564.db2.gz LQBWEEZXFNPFJK-UHFFFAOYSA-N 1 0 331.470 2.996 50 0 EFAARO COc1ccccc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000005050791 471484547 /nfs/dbraw/zinc/48/45/47/471484547.db2.gz DOSNVVGXQMWNKY-UHFFFAOYSA-N 1 0 325.412 2.699 50 0 EFAARO O=C(C1CC[NH+](Cc2cccnc2)CC1)N1CCc2ccccc2C1 ZINC000006045719 471529592 /nfs/dbraw/zinc/52/95/92/471529592.db2.gz HARTZMNMYDASMO-UHFFFAOYSA-N 1 0 335.451 2.879 50 0 EFAARO COc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCC(N)=O ZINC000006701266 471560820 /nfs/dbraw/zinc/56/08/20/471560820.db2.gz KEDCYJDGYHCTFC-UHFFFAOYSA-N 1 0 334.803 2.503 50 0 EFAARO COc1ccc(/C=C(/NC(C)=O)[NH2+]Cc2ccccc2)cc1OC ZINC000006856714 471573890 /nfs/dbraw/zinc/57/38/90/471573890.db2.gz JPNARAXGKYHFEH-XDHOZWIPSA-N 1 0 326.396 2.928 50 0 EFAARO Cn1nnnc1SCCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000007541549 471620792 /nfs/dbraw/zinc/62/07/92/471620792.db2.gz DIZAGGIJBPRTII-UHFFFAOYSA-N 1 0 332.260 2.789 50 0 EFAARO CCC[NH+]1CCC(NC(=O)COc2ccc(F)cc2Cl)CC1 ZINC000008157517 471668495 /nfs/dbraw/zinc/66/84/95/471668495.db2.gz GHNJFVYBRYPOJJ-UHFFFAOYSA-N 1 0 328.815 2.849 50 0 EFAARO Cc1nc(N2CC[NH+](C)CC2)[nH]c(=O)c1Cc1cccc2ccccc21 ZINC000008673146 471698386 /nfs/dbraw/zinc/69/83/86/471698386.db2.gz WIUNFEVZGHNWSS-UHFFFAOYSA-N 1 0 348.450 2.986 50 0 EFAARO Cc1nc(N2CC[NH+](C)CC2)[nH]c(=O)c1Cc1ccc(C(C)C)cc1 ZINC000008766970 471704657 /nfs/dbraw/zinc/70/46/57/471704657.db2.gz AGISLXPRPHEEEQ-UHFFFAOYSA-N 1 0 340.471 2.957 50 0 EFAARO O=C(c1ccc2ccccc2c1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008973305 471707476 /nfs/dbraw/zinc/70/74/76/471707476.db2.gz JQPXBRWCQYAQCC-UHFFFAOYSA-N 1 0 346.434 2.840 50 0 EFAARO Cc1ccc(Nc2nc(NCC[NH+](C)C)nc3nccnc32)cc1C ZINC000009074589 471708776 /nfs/dbraw/zinc/70/87/76/471708776.db2.gz DNYWAEXBBJMXGN-UHFFFAOYSA-N 1 0 337.431 2.754 50 0 EFAARO CCCc1c(=O)[nH]c(N2CC[NH+](CC)CC2)nc1-c1ccccc1 ZINC000009196360 471711753 /nfs/dbraw/zinc/71/17/53/471711753.db2.gz VCCIBMARPIRQNV-UHFFFAOYSA-N 1 0 326.444 2.531 50 0 EFAARO Nc1cc(N)[nH+]c(SCCCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000009667381 471720179 /nfs/dbraw/zinc/72/01/79/471720179.db2.gz NZGLHJCNDVTZGF-UHFFFAOYSA-N 1 0 337.836 2.805 50 0 EFAARO C[NH+](C)CCCNC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000010312768 471732636 /nfs/dbraw/zinc/73/26/36/471732636.db2.gz UTLFDVUVTGYKDV-UHFFFAOYSA-N 1 0 325.412 2.620 50 0 EFAARO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)cc1 ZINC000010544213 471738008 /nfs/dbraw/zinc/73/80/08/471738008.db2.gz ACUDMHLWTRHWLL-HNNXBMFYSA-N 1 0 340.489 2.628 50 0 EFAARO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000010544029 471738173 /nfs/dbraw/zinc/73/81/73/471738173.db2.gz IGWBHYUUBZAHBD-KBPBESRZSA-N 1 0 344.908 2.986 50 0 EFAARO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccccc1F ZINC000010544243 471738263 /nfs/dbraw/zinc/73/82/63/471738263.db2.gz OCHKTOHTMQOYEX-INIZCTEOSA-N 1 0 342.480 2.900 50 0 EFAARO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011841729 471759517 /nfs/dbraw/zinc/75/95/17/471759517.db2.gz OTCLXHMQQYILQS-HXUWFJFHSA-N 1 0 331.456 2.836 50 0 EFAARO CC(C)(C)CN1CCC[C@@]2(CC[N@H+](CCCn3cccn3)C2)C1=O ZINC000011813636 471759713 /nfs/dbraw/zinc/75/97/13/471759713.db2.gz ZKILPIVRMYIZQP-IBGZPJMESA-N 1 0 332.492 2.634 50 0 EFAARO CN(C(=O)C1CCOCC1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011840659 471759973 /nfs/dbraw/zinc/75/99/73/471759973.db2.gz PVRTVPJXZLXPKQ-FQEVSTJZSA-N 1 0 344.499 2.969 50 0 EFAARO C[NH+](C)CCNC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000011817764 471760541 /nfs/dbraw/zinc/76/05/41/471760541.db2.gz OSLCBVCOJRSJAI-KRWDZBQOSA-N 1 0 340.423 2.615 50 0 EFAARO c1csc(C[N@@H+]2CC[C@H](C3CCN(c4ncccn4)CC3)C2)n1 ZINC000011817299 471760753 /nfs/dbraw/zinc/76/07/53/471760753.db2.gz BMGNTJFNNTVQAL-HNNXBMFYSA-N 1 0 329.473 2.672 50 0 EFAARO C[NH+]1CCC(N2CCC[C@@H](NC(=O)c3cccc(Cl)c3)C2)CC1 ZINC000011949398 471762175 /nfs/dbraw/zinc/76/21/75/471762175.db2.gz VJRODUZCMXHXMB-MRXNPFEDSA-N 1 0 335.879 2.628 50 0 EFAARO CC(C)(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)c3csnn3)CC2)C1 ZINC000012023758 471762660 /nfs/dbraw/zinc/76/26/60/471762660.db2.gz ATOLYGXXIUPNAX-CQSZACIVSA-N 1 0 336.505 2.758 50 0 EFAARO O=C(CCN1CCCCC1=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011998872 471762940 /nfs/dbraw/zinc/76/29/40/471762940.db2.gz WQAUBGYZMVBFID-GOSISDBHSA-N 1 0 349.519 2.550 50 0 EFAARO COc1ccccc1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012072600 471763368 /nfs/dbraw/zinc/76/33/68/471763368.db2.gz AEKPBAISPHYVJD-NRFANRHFSA-N 1 0 342.483 2.962 50 0 EFAARO CSCCN1C(=O)CC[C@@H]1CC[NH2+]CCOc1ccc(F)cc1 ZINC000012100210 471764393 /nfs/dbraw/zinc/76/43/93/471764393.db2.gz DQQQYIHPSNZQKN-OAHLLOKOSA-N 1 0 340.464 2.538 50 0 EFAARO Cc1ncc(C[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)n1C ZINC000012302301 471770125 /nfs/dbraw/zinc/77/01/25/471770125.db2.gz NTSNAUZWJLPLKI-KRWDZBQOSA-N 1 0 334.427 2.748 50 0 EFAARO COC(=O)C1CC[NH+](Cc2c[nH]nc2-c2ccc(OC)c(F)c2)CC1 ZINC000012305576 471770561 /nfs/dbraw/zinc/77/05/61/471770561.db2.gz HVXREBQDMBHDDK-UHFFFAOYSA-N 1 0 347.390 2.609 50 0 EFAARO O=C1CC[N@H+](C[C@@H]2CC=CCC2)CCN1CCOc1ccccc1 ZINC000012283283 471770673 /nfs/dbraw/zinc/77/06/73/471770673.db2.gz MIEQWOQBFKOGGH-GOSISDBHSA-N 1 0 328.456 2.956 50 0 EFAARO CC(=O)N1CCC([NH2+]Cc2cccnc2-n2cnc3ccccc32)CC1 ZINC000012304933 471771071 /nfs/dbraw/zinc/77/10/71/471771071.db2.gz JWDOPTHTTQRCGH-UHFFFAOYSA-N 1 0 349.438 2.521 50 0 EFAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2=O)c1 ZINC000012373117 471772907 /nfs/dbraw/zinc/77/29/07/471772907.db2.gz KQHPSNWLLDSTTF-HXUWFJFHSA-N 1 0 328.456 2.920 50 0 EFAARO CSc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCC(CO)CC2)C1 ZINC000012429600 471775108 /nfs/dbraw/zinc/77/51/08/471775108.db2.gz GAAOBTHPKAIMIR-INIZCTEOSA-N 1 0 348.512 2.717 50 0 EFAARO COC(=O)CCCC(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012386638 471775347 /nfs/dbraw/zinc/77/53/47/471775347.db2.gz IXLWNTWTWWZXGV-GOSISDBHSA-N 1 0 346.471 2.543 50 0 EFAARO CN(C(=O)c1c[nH]cn1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012446023 471775699 /nfs/dbraw/zinc/77/56/99/471775699.db2.gz KEZTUKMDFLWTLF-KRWDZBQOSA-N 1 0 326.444 2.579 50 0 EFAARO Cc1cccc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)n1 ZINC000012447906 471775766 /nfs/dbraw/zinc/77/57/66/471775766.db2.gz FLEBUUUFBZTFEM-LJQANCHMSA-N 1 0 345.487 2.677 50 0 EFAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](CCCn3cccn3)C2)c1 ZINC000012465748 471776325 /nfs/dbraw/zinc/77/63/25/471776325.db2.gz FDPDNGUTRBPTJY-KRWDZBQOSA-N 1 0 327.428 2.877 50 0 EFAARO CN(CCC[NH+](C)C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000012573643 471783252 /nfs/dbraw/zinc/78/32/52/471783252.db2.gz ACCYUCOGBPVYDW-KRWDZBQOSA-N 1 0 337.895 2.828 50 0 EFAARO O=C1C[C@@H]([NH2+]C2CCSCC2)CN1CCc1cccc(Cl)c1 ZINC000012702312 471790124 /nfs/dbraw/zinc/79/01/24/471790124.db2.gz HMRHREDNTXBXOB-MRXNPFEDSA-N 1 0 338.904 2.969 50 0 EFAARO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000012702612 471790420 /nfs/dbraw/zinc/79/04/20/471790420.db2.gz BGSMDKVTZZERLF-IBGZPJMESA-N 1 0 336.451 2.657 50 0 EFAARO CCOCc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)ccc1OC ZINC000012750641 471792812 /nfs/dbraw/zinc/79/28/12/471792812.db2.gz BCAYMBWNORNIKW-HXUWFJFHSA-N 1 0 346.471 2.676 50 0 EFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000013328606 471826203 /nfs/dbraw/zinc/82/62/03/471826203.db2.gz XSVNPOMPSPGRRX-UHFFFAOYSA-N 1 0 338.407 2.810 50 0 EFAARO O=S(=O)(Cc1c(F)cccc1Cl)NCCC[NH+]1CCCCC1 ZINC000013613367 471834845 /nfs/dbraw/zinc/83/48/45/471834845.db2.gz DAMBNCMCAITLMU-UHFFFAOYSA-N 1 0 348.871 2.775 50 0 EFAARO Cn1c2ccc(C[NH2+]CCc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000013721226 471840737 /nfs/dbraw/zinc/84/07/37/471840737.db2.gz YPQIYECDHHJEHX-UHFFFAOYSA-N 1 0 329.831 2.863 50 0 EFAARO CCC[N@@H+]1CC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000013835341 471843802 /nfs/dbraw/zinc/84/38/02/471843802.db2.gz KBYRJQLFUMUNLE-LJQANCHMSA-N 1 0 339.435 2.950 50 0 EFAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CC1CC1)C2 ZINC000014743017 471878640 /nfs/dbraw/zinc/87/86/40/471878640.db2.gz UFZFDLVCKGOQCY-MRXNPFEDSA-N 1 0 344.503 2.776 50 0 EFAARO CC(C)CN1C(=O)N(C)C2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000014740504 471878891 /nfs/dbraw/zinc/87/88/91/471878891.db2.gz MMRPNSLGJUFRRM-UHFFFAOYSA-N 1 0 329.444 2.571 50 0 EFAARO O=C(NC1CCCC1)[C@H]1C[NH2+]C[C@@H](COc2ccc3c(c2)CCC3)C1 ZINC000014747112 471878934 /nfs/dbraw/zinc/87/89/34/471878934.db2.gz ZMZONRBRCFNFRE-MAUKXSAKSA-N 1 0 342.483 2.839 50 0 EFAARO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1coc(COc2ccccc2)n1 ZINC000014953192 471882972 /nfs/dbraw/zinc/88/29/72/471882972.db2.gz PGFPCLZHLAGHRA-HNNXBMFYSA-N 1 0 343.427 2.667 50 0 EFAARO CCc1ccc(CNCc2cccnc2N2CCC[N@H+](C)CC2)o1 ZINC000015065038 471887553 /nfs/dbraw/zinc/88/75/53/471887553.db2.gz MYZLQKMUENNNJC-UHFFFAOYSA-N 1 0 328.460 2.669 50 0 EFAARO COc1cccc(C[NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1 ZINC000015066584 471888005 /nfs/dbraw/zinc/88/80/05/471888005.db2.gz XZIOYAQYPADIDG-GOSISDBHSA-N 1 0 342.414 2.768 50 0 EFAARO COc1ccc(OC)c(C[NH2+][C@H]2COc3c(cccc3OC)C2)c1 ZINC000015063539 471888025 /nfs/dbraw/zinc/88/80/25/471888025.db2.gz UMYQFVIJKAYDSA-OAHLLOKOSA-N 1 0 329.396 2.806 50 0 EFAARO Cc1cc(C(=O)N2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)n(C)n1 ZINC000015076352 471888907 /nfs/dbraw/zinc/88/89/07/471888907.db2.gz PURVFHWXNLAEEE-QGZVFWFLSA-N 1 0 332.492 2.559 50 0 EFAARO Cc1cc2c(cc1C)[n+](C[C@H](O)COC[C@H]1CC=CCC1)cn2C ZINC000015745999 471916046 /nfs/dbraw/zinc/91/60/46/471916046.db2.gz HLYUHARIZFXDFI-ROUUACIJSA-N 1 0 329.464 2.816 50 0 EFAARO CCC[NH+]1CCC(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)CC1 ZINC000016604035 471944476 /nfs/dbraw/zinc/94/44/76/471944476.db2.gz AKLLCLRJVHSINS-GOSISDBHSA-N 1 0 334.460 2.843 50 0 EFAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)CC1 ZINC000016605654 471944676 /nfs/dbraw/zinc/94/46/76/471944676.db2.gz MPPCLNBHVABINL-HNNXBMFYSA-N 1 0 330.472 2.933 50 0 EFAARO O=C1C[C@@H]([NH2+]Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000018276757 471974480 /nfs/dbraw/zinc/97/44/80/471974480.db2.gz XLIRJIHUJIXQCN-OAHLLOKOSA-N 1 0 332.762 2.901 50 0 EFAARO CC(=O)N1CCN(c2ncccc2C[NH2+]C2CCCCCCC2)CC1 ZINC000019219118 471977889 /nfs/dbraw/zinc/97/78/89/471977889.db2.gz UKVWWMYCEKZXEF-UHFFFAOYSA-N 1 0 344.503 2.953 50 0 EFAARO CC12CN3CC(C)(CN(C1)C3c1ccc(Cl)cc1Cl)C2[NH3+] ZINC000019331061 471979619 /nfs/dbraw/zinc/97/96/19/471979619.db2.gz ZXPPEUWUCKXGNS-UHFFFAOYSA-N 1 0 326.271 2.977 50 0 EFAARO c1ccc(-c2ccccc2OCC[NH2+]CCN2CCOCC2)cc1 ZINC000020500004 471990562 /nfs/dbraw/zinc/99/05/62/471990562.db2.gz MNGQTLOVHWCJEW-UHFFFAOYSA-N 1 0 326.440 2.654 50 0 EFAARO C[C@@H]1C[NH+](C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 ZINC000020726029 471992131 /nfs/dbraw/zinc/99/21/31/471992131.db2.gz FBOZRYQGULRQCH-VKRPKONCSA-N 1 0 337.504 2.690 50 0 EFAARO C[C@@H]1C[N@@H+](C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000020726025 471992756 /nfs/dbraw/zinc/99/27/56/471992756.db2.gz FBOZRYQGULRQCH-HYCCEDHASA-N 1 0 337.504 2.690 50 0 EFAARO O=S(=O)(Cc1ccc(F)cc1)NCCCc1[nH+]cc2ccccn21 ZINC000036127170 471998779 /nfs/dbraw/zinc/99/87/79/471998779.db2.gz ZQBPVJUHAYZMOJ-UHFFFAOYSA-N 1 0 347.415 2.526 50 0 EFAARO CC[NH+]1CCN(c2cc(C)nc3c(-c4ccc(F)cc4)cnn32)CC1 ZINC000021799073 472004104 /nfs/dbraw/zinc/00/41/04/472004104.db2.gz RYFWMOYACCMPSD-UHFFFAOYSA-N 1 0 339.418 2.986 50 0 EFAARO c1ccc2c(c1)CC(N1CCC[C@H]([NH2+]Cc3cccc4nonc43)C1)C2 ZINC000039355547 472023417 /nfs/dbraw/zinc/02/34/17/472023417.db2.gz KHXZDWFIVIRSGJ-SFHVURJKSA-N 1 0 348.450 2.944 50 0 EFAARO CC[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000022943662 472024178 /nfs/dbraw/zinc/02/41/78/472024178.db2.gz PAODFPCGRKFSDN-INIZCTEOSA-N 1 0 325.456 2.655 50 0 EFAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c(OC)c1 ZINC000039543576 472024166 /nfs/dbraw/zinc/02/41/66/472024166.db2.gz HQCQIYBMUFPTAS-GOSISDBHSA-N 1 0 348.487 2.515 50 0 EFAARO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C3CCOCC3)C2)o1 ZINC000039485127 472024614 /nfs/dbraw/zinc/02/46/14/472024614.db2.gz ZLWIOKVROLCVPM-INIZCTEOSA-N 1 0 334.460 2.875 50 0 EFAARO Cc1nn(C(C)C)c(C)c1CN1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039508824 472024641 /nfs/dbraw/zinc/02/46/41/472024641.db2.gz OKKQBNDJKAPJTM-LJQANCHMSA-N 1 0 348.535 2.892 50 0 EFAARO c1cnn(C2C[NH+](C3CCN(c4ccc(-c5cc[nH]n5)cc4)CC3)C2)c1 ZINC000023192186 472028623 /nfs/dbraw/zinc/02/86/23/472028623.db2.gz RICCZAVSLAFRCP-UHFFFAOYSA-N 1 0 348.454 2.799 50 0 EFAARO C[N@H+](Cc1ccncn1)C1CCN(c2cccc(-n3cccn3)c2)CC1 ZINC000023192050 472028675 /nfs/dbraw/zinc/02/86/75/472028675.db2.gz ZYVHREFLJNNDKK-UHFFFAOYSA-N 1 0 348.454 2.763 50 0 EFAARO COc1cc2[nH+]c(N3CCC[C@H](CO)C3)cc(C)c2c(OC)c1OC ZINC000023550180 472034598 /nfs/dbraw/zinc/03/45/98/472034598.db2.gz NQFRKZRYVGMUQE-ZDUSSCGKSA-N 1 0 346.427 2.778 50 0 EFAARO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000067559983 472049153 /nfs/dbraw/zinc/04/91/53/472049153.db2.gz VWYPNXRTIMIZKJ-HNNXBMFYSA-N 1 0 326.444 2.815 50 0 EFAARO CC(C)SCCn1nc([C@@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000067605245 472057859 /nfs/dbraw/zinc/05/78/59/472057859.db2.gz PXMNKJXHJRDZDB-OAHLLOKOSA-N 1 0 346.500 2.643 50 0 EFAARO Cc1ccc(NC(=O)NCCNc2cc(N(C)C)nc(C)[nH+]2)c(C)c1 ZINC000067629800 472062659 /nfs/dbraw/zinc/06/26/59/472062659.db2.gz MLHWLZXUACDIMP-UHFFFAOYSA-N 1 0 342.447 2.701 50 0 EFAARO O=C1N(CCC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1ccco1 ZINC000067641884 472063843 /nfs/dbraw/zinc/06/38/43/472063843.db2.gz SFZOGCWQOYGGCS-LJQANCHMSA-N 1 0 334.460 2.693 50 0 EFAARO CCn1ncc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccsc3)C2)c1C ZINC000067641735 472063942 /nfs/dbraw/zinc/06/39/42/472063942.db2.gz PUPLJVYJTWXTOS-AWEZNQCLSA-N 1 0 332.473 2.525 50 0 EFAARO C[C@H](Oc1ccccc1)C(=O)Nc1cc(C2=CCC[N@H+](C)C2)nn1C ZINC000067640999 472064147 /nfs/dbraw/zinc/06/41/47/472064147.db2.gz LFDBLBKNXIJYDM-AWEZNQCLSA-N 1 0 340.427 2.545 50 0 EFAARO Cc1cc(C[C@@H](C)Nc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)n[nH]1 ZINC000067649546 472065513 /nfs/dbraw/zinc/06/55/13/472065513.db2.gz UWJMBFQMXGWUSZ-CYBMUJFWSA-N 1 0 348.454 2.864 50 0 EFAARO [NH3+]C1(C(=O)N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)CCC1 ZINC000067649449 472065569 /nfs/dbraw/zinc/06/55/69/472065569.db2.gz PLZVANRHSOTDDH-UHFFFAOYSA-N 1 0 342.418 2.803 50 0 EFAARO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000067649953 472066109 /nfs/dbraw/zinc/06/61/09/472066109.db2.gz ZACHRMBYDLOHBC-DLBZAZTESA-N 1 0 336.439 2.761 50 0 EFAARO O=C(c1ccccc1)N1CCC([NH2+]CCc2nc3ccccc3[nH]2)CC1 ZINC000067654230 472066324 /nfs/dbraw/zinc/06/63/24/472066324.db2.gz MVJWSVYNCWDCIZ-UHFFFAOYSA-N 1 0 348.450 3.000 50 0 EFAARO CSc1ccc(-c2nc(CN3CCO[C@H](CC[NH3+])C3)c(C)o2)cc1 ZINC000067675365 472070129 /nfs/dbraw/zinc/07/01/29/472070129.db2.gz KTVJPKDALYGDGK-OAHLLOKOSA-N 1 0 347.484 2.922 50 0 EFAARO c1ccc(OCCNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)cc1 ZINC000067674540 472070301 /nfs/dbraw/zinc/07/03/01/472070301.db2.gz JBXHVASIKUSCEA-UHFFFAOYSA-N 1 0 347.422 2.675 50 0 EFAARO CCOc1ccccc1CCCNc1nc(C)nc2c1CC[NH2+]C2 ZINC000067691293 472072971 /nfs/dbraw/zinc/07/29/71/472072971.db2.gz RENNFPVTAWOCOG-UHFFFAOYSA-N 1 0 326.444 2.874 50 0 EFAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Cc3cccnc3)C2)cc1C ZINC000067689227 472073302 /nfs/dbraw/zinc/07/33/02/472073302.db2.gz DPBLPXPZDRBYRF-FQEVSTJZSA-N 1 0 337.467 2.879 50 0 EFAARO CC(C)C[NH+]1CCC(N[C@H](C)c2nc(-c3ccccn3)no2)CC1 ZINC000067690734 472073345 /nfs/dbraw/zinc/07/33/45/472073345.db2.gz TZUCCLHYKCSKNN-CQSZACIVSA-N 1 0 329.448 2.903 50 0 EFAARO Cc1ccc(O)c(C[NH+]2CCN(c3cccc(C(C)C)n3)CC2)n1 ZINC000067694536 472073797 /nfs/dbraw/zinc/07/37/97/472073797.db2.gz RLBUQEGSDNCLKG-UHFFFAOYSA-N 1 0 326.444 2.936 50 0 EFAARO Cc1cc(C)cc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)c1 ZINC000067713844 472078368 /nfs/dbraw/zinc/07/83/68/472078368.db2.gz HFZKSKOZABKJCG-INIZCTEOSA-N 1 0 341.459 2.681 50 0 EFAARO C[N@H+](CCC(=O)N1CCCc2ccccc21)Cc1[nH]nc2c1CCC2 ZINC000067724264 472079197 /nfs/dbraw/zinc/07/91/97/472079197.db2.gz CJOHCTWXUQOOIL-UHFFFAOYSA-N 1 0 338.455 2.700 50 0 EFAARO O=C(C[NH2+]Cc1c[nH]nc1-c1ccccc1)NCc1ccccc1F ZINC000067726970 472079876 /nfs/dbraw/zinc/07/98/76/472079876.db2.gz VTGFZSUAOCWIFW-UHFFFAOYSA-N 1 0 338.386 2.622 50 0 EFAARO COc1ccc(F)c(F)c1C[NH+]1CCC2(CC1)CCNC(=O)CC2 ZINC000067739653 472081665 /nfs/dbraw/zinc/08/16/65/472081665.db2.gz PZTZJQZMFGLAIS-UHFFFAOYSA-N 1 0 338.398 2.856 50 0 EFAARO O=C(CC[N@@H+]1CCc2onc(-c3cccc(F)c3)c2C1)NC1CC1 ZINC000067758138 472084880 /nfs/dbraw/zinc/08/48/80/472084880.db2.gz QMEFNMKUSGPNQY-UHFFFAOYSA-N 1 0 329.375 2.508 50 0 EFAARO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3occc3C)C2)cc1O ZINC000067757126 472085160 /nfs/dbraw/zinc/08/51/60/472085160.db2.gz JODJQORHXNXSHA-OAHLLOKOSA-N 1 0 344.411 2.554 50 0 EFAARO Cc1nnc(NC(=O)c2cccc(CN(C)Cc3ccno3)c2)s1 ZINC000067773143 472087620 /nfs/dbraw/zinc/08/76/20/472087620.db2.gz BIAROSKDLUXAAL-UHFFFAOYSA-N 1 0 343.412 2.719 50 0 EFAARO O=C(c1scc2c1CCCC2)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000067772616 472087947 /nfs/dbraw/zinc/08/79/47/472087947.db2.gz WEHDSXWWGDVPPJ-MRXNPFEDSA-N 1 0 348.512 2.688 50 0 EFAARO COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067805980 472091685 /nfs/dbraw/zinc/09/16/85/472091685.db2.gz ZSMBYRGLIAMKSG-HNNXBMFYSA-N 1 0 327.428 2.592 50 0 EFAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1C ZINC000067805751 472091995 /nfs/dbraw/zinc/09/19/95/472091995.db2.gz ZHJODLVJUJJZOG-KRWDZBQOSA-N 1 0 336.501 2.597 50 0 EFAARO Cc1ccc(-c2nc(CNC(=O)[C@H](C)C[NH3+])[nH]c2-c2ccccn2)cc1 ZINC000067834364 472096892 /nfs/dbraw/zinc/09/68/92/472096892.db2.gz NWTVOLZXLJPPFR-CQSZACIVSA-N 1 0 349.438 2.658 50 0 EFAARO CCNC(=O)[C@H]1CC[N@H+](Cc2nc(-c3ccccc3C)oc2C)C1 ZINC000067847320 472097557 /nfs/dbraw/zinc/09/75/57/472097557.db2.gz MJXXQHYGCOIVHO-HNNXBMFYSA-N 1 0 327.428 2.916 50 0 EFAARO CCn1c(=O)n(Cc2ccc(C(C)C)cc2)nc1[C@H]1CCC[NH2+]C1 ZINC000067846952 472097902 /nfs/dbraw/zinc/09/79/02/472097902.db2.gz SYZIXSPQKSFNRP-KRWDZBQOSA-N 1 0 328.460 2.703 50 0 EFAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc(C)nc3)cnn2c1 ZINC000067851387 472098416 /nfs/dbraw/zinc/09/84/16/472098416.db2.gz XGZKGSCLDJPRNU-UHFFFAOYSA-N 1 0 338.415 2.527 50 0 EFAARO CC[N@@H+]1CC[C@@H](C(=O)NCc2cccnc2N(C)C2CCCCC2)C1 ZINC000067851238 472098651 /nfs/dbraw/zinc/09/86/51/472098651.db2.gz UJWBJCPVFRFQDL-QGZVFWFLSA-N 1 0 344.503 2.809 50 0 EFAARO CC1(C(=O)NCc2cccnc2N2CCCCCCC2)CC[NH2+]CC1 ZINC000067852386 472099181 /nfs/dbraw/zinc/09/91/81/472099181.db2.gz ZYWCQQKZYLAXAZ-UHFFFAOYSA-N 1 0 344.503 2.858 50 0 EFAARO O=C(NC[C@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)C1)C1CCC1 ZINC000067867370 472100535 /nfs/dbraw/zinc/10/05/35/472100535.db2.gz ABNHIEVDKGGSHG-QGZVFWFLSA-N 1 0 338.455 2.611 50 0 EFAARO Cc1cncc(C(=O)NCC[C@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000067866951 472100859 /nfs/dbraw/zinc/10/08/59/472100859.db2.gz WNODIDDTMSUCIX-QGZVFWFLSA-N 1 0 338.455 2.817 50 0 EFAARO CC[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)CC1CCOCC1 ZINC000067872934 472101994 /nfs/dbraw/zinc/10/19/94/472101994.db2.gz SJPAZDHDXNRQQB-UHFFFAOYSA-N 1 0 344.411 2.505 50 0 EFAARO Cc1cc(C[NH+]2CCC(c3ccncc3)CC2)c(C)n1-n1cnnc1 ZINC000067895692 472106353 /nfs/dbraw/zinc/10/63/53/472106353.db2.gz LRNLHSRIOJXHHZ-UHFFFAOYSA-N 1 0 336.443 2.782 50 0 EFAARO COC[C@H](C)C1CCN(c2cc(C3CC[NH2+]CC3)nc(C)n2)CC1 ZINC000067909916 472108394 /nfs/dbraw/zinc/10/83/94/472108394.db2.gz BGAOOSHNQFIESD-AWEZNQCLSA-N 1 0 332.492 2.751 50 0 EFAARO C[C@H](CC1=CCC[N@H+](C)C1)NC(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000067921445 472109554 /nfs/dbraw/zinc/10/95/54/472109554.db2.gz YXGOMSXGPCCCQV-LLVKDONJSA-N 1 0 338.354 2.778 50 0 EFAARO Cc1nc2ccc(Cl)cn2c1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000067934134 472111727 /nfs/dbraw/zinc/11/17/27/472111727.db2.gz UFPJOCFXQMYDKL-ZDUSSCGKSA-N 1 0 334.851 2.758 50 0 EFAARO CC[C@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)CC[N@@H+]1C(C)C ZINC000067966512 472115945 /nfs/dbraw/zinc/11/59/45/472115945.db2.gz VKOWZQHYZTWLKP-KRWDZBQOSA-N 1 0 330.476 2.627 50 0 EFAARO C/C=C(\C)C[N@@H+]1CCC[C@H](c2nn(C)c(=O)n2-c2ccccc2)C1 ZINC000067983001 472118170 /nfs/dbraw/zinc/11/81/70/472118170.db2.gz QXTFSHDMPQIOAI-MRJCOXNESA-N 1 0 326.444 2.717 50 0 EFAARO [NH3+]C[C@@H]1Cc2cc(Cl)cc(-c3cc(C(=O)NC4CC4)ccn3)c2O1 ZINC000067982901 472118399 /nfs/dbraw/zinc/11/83/99/472118399.db2.gz ZAMMAHNIKKZBLD-AWEZNQCLSA-N 1 0 343.814 2.556 50 0 EFAARO CC[N@H+](CCc1nc2cc(F)ccc2[nH]1)C1CCN(C(C)=O)CC1 ZINC000067974908 472118440 /nfs/dbraw/zinc/11/84/40/472118440.db2.gz PCCNJCDMHMBLLP-UHFFFAOYSA-N 1 0 332.423 2.577 50 0 EFAARO Cc1ccc(OCc2occc2C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000067974850 472119104 /nfs/dbraw/zinc/11/91/04/472119104.db2.gz LGHQQVHXRRYOGS-HNNXBMFYSA-N 1 0 328.412 2.849 50 0 EFAARO Cc1c(C[NH2+][C@H](C)CCCC(C)(C)O)c2ccccc2n1CC(N)=O ZINC000055154330 472144346 /nfs/dbraw/zinc/14/43/46/472144346.db2.gz ULYGMNJRZWXEIZ-CQSZACIVSA-N 1 0 345.487 2.854 50 0 EFAARO CCN(CC[NH+](C)C)C(=O)c1cccc(NC(=O)C2CCCC2)c1 ZINC000055183382 472149060 /nfs/dbraw/zinc/14/90/60/472149060.db2.gz PXJLWKFVHOIBBG-UHFFFAOYSA-N 1 0 331.460 2.839 50 0 EFAARO CCC(=O)c1ccc(OCC(=O)NCCCC[NH+]2CCCC2)cc1 ZINC000055197092 472151107 /nfs/dbraw/zinc/15/11/07/472151107.db2.gz OPPZUVVNPNQUHP-UHFFFAOYSA-N 1 0 332.444 2.650 50 0 EFAARO O=C(C[NH2+]Cc1cccnc1)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000055207914 472152551 /nfs/dbraw/zinc/15/25/51/472152551.db2.gz AGCLGEDSSLSSOD-UHFFFAOYSA-N 1 0 341.745 2.978 50 0 EFAARO COCC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000055211523 472152914 /nfs/dbraw/zinc/15/29/14/472152914.db2.gz MCJHOWRURJUMCW-QGZVFWFLSA-N 1 0 333.407 2.843 50 0 EFAARO CCN(CC1CCOCC1)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055227748 472156207 /nfs/dbraw/zinc/15/62/07/472156207.db2.gz QFVKHJUREXNNCX-QGZVFWFLSA-N 1 0 334.460 2.767 50 0 EFAARO CCNc1ncc(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)cn1 ZINC000055254414 472157875 /nfs/dbraw/zinc/15/78/75/472157875.db2.gz PJZPPBKPBDCVLW-UHFFFAOYSA-N 1 0 333.480 2.635 50 0 EFAARO Cc1ccc(C[N@H+](CCCO)CCn2c(=O)oc3ccccc32)s1 ZINC000055310326 472166094 /nfs/dbraw/zinc/16/60/94/472166094.db2.gz YESUYIFEBBWNGO-UHFFFAOYSA-N 1 0 346.452 2.849 50 0 EFAARO CN(C)Cc1cn(C2CC[NH+](CCCc3ccccc3)CC2)nn1 ZINC000055387085 472176950 /nfs/dbraw/zinc/17/69/50/472176950.db2.gz BLCXUWGHTVZPOV-UHFFFAOYSA-N 1 0 327.476 2.609 50 0 EFAARO O=C(NCCCc1ccccc1O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055393279 472177810 /nfs/dbraw/zinc/17/78/10/472177810.db2.gz LWDAJLMLNDTFSS-QGZVFWFLSA-N 1 0 342.439 2.946 50 0 EFAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCn1cccc1 ZINC000084456762 472182271 /nfs/dbraw/zinc/18/22/71/472182271.db2.gz QIIPLVYVCFYIJQ-IBGZPJMESA-N 1 0 340.471 2.652 50 0 EFAARO COCc1ncc(CN(CC[NH+](C)C)Cc2ccc(C)s2)cn1 ZINC000055414981 472182413 /nfs/dbraw/zinc/18/24/13/472182413.db2.gz UHGXSSOAYFOXKY-UHFFFAOYSA-N 1 0 334.489 2.557 50 0 EFAARO COc1ccc(CNc2nc(CC[NH3+])nc3ccccc32)c(OC)c1 ZINC000055413583 472183186 /nfs/dbraw/zinc/18/31/86/472183186.db2.gz CJJUMEJJRXUIJX-UHFFFAOYSA-N 1 0 338.411 2.760 50 0 EFAARO COCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000068524712 472203609 /nfs/dbraw/zinc/20/36/09/472203609.db2.gz OUFVFKHZUGVXLJ-LLVKDONJSA-N 1 0 329.803 2.569 50 0 EFAARO COCC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000085467936 472250154 /nfs/dbraw/zinc/25/01/54/472250154.db2.gz MYOQIUAMIZPUBR-UHFFFAOYSA-N 1 0 331.243 2.834 50 0 EFAARO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000085468150 472251621 /nfs/dbraw/zinc/25/16/21/472251621.db2.gz SJJRYCZWDHPCOL-BLGFXRMMSA-N 1 0 341.499 2.574 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccc3nccnc3c2)CC1 ZINC000085533052 472254633 /nfs/dbraw/zinc/25/46/33/472254633.db2.gz ROIQHQJJJJWBBX-UHFFFAOYSA-N 1 0 347.422 2.686 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000044571153 472317008 /nfs/dbraw/zinc/31/70/08/472317008.db2.gz AZOMOOWMZYDWME-MRXNPFEDSA-N 1 0 329.469 2.953 50 0 EFAARO Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)[NH+](C)C)cc1 ZINC000031773294 472394345 /nfs/dbraw/zinc/39/43/45/472394345.db2.gz HWOVRAXVWMABQC-MRXNPFEDSA-N 1 0 326.396 2.756 50 0 EFAARO O[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000097137398 472458043 /nfs/dbraw/zinc/45/80/43/472458043.db2.gz ZQKBJCZCOPFLKV-HXUWFJFHSA-N 1 0 340.423 2.798 50 0 EFAARO C=C1C(N2CCC[NH2+]CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000045796210 472466018 /nfs/dbraw/zinc/46/60/18/472466018.db2.gz YZLWDARNIBCTCU-UHFFFAOYSA-N 1 0 347.484 2.578 50 0 EFAARO COc1ccc(C)cc1[C@H](O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200707 472477158 /nfs/dbraw/zinc/47/71/58/472477158.db2.gz URJFYLVZTGSTDM-SJLPKXTDSA-N 1 0 341.455 2.866 50 0 EFAARO O[C@@H](C[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccc(F)c(F)c1 ZINC000097200706 472478805 /nfs/dbraw/zinc/47/88/05/472478805.db2.gz GFEUQYIYJZZJDC-DYVFJYSZSA-N 1 0 333.382 2.827 50 0 EFAARO Cc1ccsc1[C@H](CNC(=O)CCc1[nH]nc(C)c1C)[NH+](C)C ZINC000097259275 472488014 /nfs/dbraw/zinc/48/80/14/472488014.db2.gz JAXUXLNAQFQQDE-HNNXBMFYSA-N 1 0 334.489 2.748 50 0 EFAARO CNc1cc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)ccn1 ZINC000097334164 472490454 /nfs/dbraw/zinc/49/04/54/472490454.db2.gz NPHRRMVVPWLZJU-KRWDZBQOSA-N 1 0 338.455 2.651 50 0 EFAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccs1 ZINC000097475589 472498909 /nfs/dbraw/zinc/49/89/09/472498909.db2.gz LJQVWGOTTUELQJ-HNNXBMFYSA-N 1 0 341.440 2.566 50 0 EFAARO COc1cc(F)c(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)cc1OC ZINC000097514467 472499825 /nfs/dbraw/zinc/49/98/25/472499825.db2.gz OZHVEFUPJQMNKD-IBGZPJMESA-N 1 0 331.387 2.936 50 0 EFAARO COCC1(C(=O)NC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000097551220 472500032 /nfs/dbraw/zinc/50/00/32/472500032.db2.gz SZEKQHWPXISLLY-IBGZPJMESA-N 1 0 344.499 2.874 50 0 EFAARO CCn1nc(C)c(CN2CC[NH+](C3Cc4ccccc4C3)CC2)c1C ZINC000097568889 472501407 /nfs/dbraw/zinc/50/14/07/472501407.db2.gz JLVMURQUEHIMLD-UHFFFAOYSA-N 1 0 338.499 2.805 50 0 EFAARO O=C(NCCC[N@H+]1CCC[C@H](CO)C1)Nc1cc(F)cc(Cl)c1 ZINC000097575019 472501688 /nfs/dbraw/zinc/50/16/88/472501688.db2.gz GVUMBXCGQZIODO-LBPRGKRZSA-N 1 0 343.830 2.695 50 0 EFAARO Cc1ccc(-c2ccc(NC(=O)NC[C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000097637991 472502968 /nfs/dbraw/zinc/50/29/68/472502968.db2.gz GOZWHZILORJWIB-SFHVURJKSA-N 1 0 325.412 2.772 50 0 EFAARO FC(F)Oc1ccccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000097713660 472505138 /nfs/dbraw/zinc/50/51/38/472505138.db2.gz OBHFFIAHUOBEJY-UHFFFAOYSA-N 1 0 326.387 2.585 50 0 EFAARO Cc1cc(C)n(C2C[NH+](C[C@H](C)Cc3ccc4c(c3)OCO4)C2)n1 ZINC000097756362 472506387 /nfs/dbraw/zinc/50/63/87/472506387.db2.gz ZCXVBKAVYVPJOD-CYBMUJFWSA-N 1 0 327.428 2.964 50 0 EFAARO Cc1nc2cc(C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)ccc2s1 ZINC000097805484 472507760 /nfs/dbraw/zinc/50/77/60/472507760.db2.gz BFCCBGBHGDIVQU-HNNXBMFYSA-N 1 0 347.484 2.788 50 0 EFAARO COCC1(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)CCC1 ZINC000097819614 472508363 /nfs/dbraw/zinc/50/83/63/472508363.db2.gz FEVQKGMBFYEQQS-QGZVFWFLSA-N 1 0 334.435 2.896 50 0 EFAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)CCCc2cn[nH]c2)C1 ZINC000097815081 472508647 /nfs/dbraw/zinc/50/86/47/472508647.db2.gz MXSWSIWHPRMODE-SFHVURJKSA-N 1 0 340.471 2.679 50 0 EFAARO Cc1nc(C(=O)N(Cc2cccnc2)C2CC[NH+](C)CC2)c(C)s1 ZINC000097797786 472508698 /nfs/dbraw/zinc/50/86/98/472508698.db2.gz KGENXUNLRDPQBS-UHFFFAOYSA-N 1 0 344.484 2.892 50 0 EFAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000101828321 472553819 /nfs/dbraw/zinc/55/38/19/472553819.db2.gz VECLMGKGWXLRCE-MGYGNFHQSA-N 1 0 327.509 2.934 50 0 EFAARO Cc1ccccc1C[NH+]1CCN(c2ccc(Cn3ccnc3)cn2)CC1 ZINC000077564104 472556834 /nfs/dbraw/zinc/55/68/34/472556834.db2.gz CUEYWCCEPYMCKT-UHFFFAOYSA-N 1 0 347.466 2.957 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1)CCC2 ZINC000077565811 472557330 /nfs/dbraw/zinc/55/73/30/472557330.db2.gz NLIILWKVSVXRTA-FQEVSTJZSA-N 1 0 344.499 2.871 50 0 EFAARO Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000059308061 472624104 /nfs/dbraw/zinc/62/41/04/472624104.db2.gz FZRBMONDBFWRJN-GOSISDBHSA-N 1 0 340.423 2.579 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1F)c1ccc2c(c1)CCO2 ZINC000090607235 472641951 /nfs/dbraw/zinc/64/19/51/472641951.db2.gz MHYMGTSIJQAXRS-MRXNPFEDSA-N 1 0 346.377 2.932 50 0 EFAARO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)n1cccc1 ZINC000131264624 472660478 /nfs/dbraw/zinc/66/04/78/472660478.db2.gz PXEPSAHKFRTACP-OAHLLOKOSA-N 1 0 329.419 2.969 50 0 EFAARO CC(C)CC[N@@H+]1CCN(Cc2cc(F)cc(F)c2)C[C@H]1CCO ZINC000104367384 472667990 /nfs/dbraw/zinc/66/79/90/472667990.db2.gz UOHVQVSJEFPZRB-GOSISDBHSA-N 1 0 326.431 2.880 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2ccc(OC(C)C)cc2)C[C@H]1CCO ZINC000104491220 472674210 /nfs/dbraw/zinc/67/42/10/472674210.db2.gz CSMVRYSYFDLZBA-LJQANCHMSA-N 1 0 334.504 2.998 50 0 EFAARO CCc1[nH+]c(N)nc(N2CCC(CCn3ccnc3C)CC2)c1C ZINC000091306025 472754334 /nfs/dbraw/zinc/75/43/34/472754334.db2.gz VPRKPKJTNHJBEC-UHFFFAOYSA-N 1 0 328.464 2.741 50 0 EFAARO CC(C)Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)n(C)n1 ZINC000091364605 472759723 /nfs/dbraw/zinc/75/97/23/472759723.db2.gz SNLIIBNWVITOAU-OAHLLOKOSA-N 1 0 332.492 2.613 50 0 EFAARO CNc1nc(NC[C@H]2COc3cc(OC)ccc3C2)[nH+]c2c1CCC2 ZINC000091410875 472763179 /nfs/dbraw/zinc/76/31/79/472763179.db2.gz WKINOEKGAGYNSP-LBPRGKRZSA-N 1 0 340.427 2.679 50 0 EFAARO c1ccc(OCCC[N@@H+]2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)cc1 ZINC000091444956 472767359 /nfs/dbraw/zinc/76/73/59/472767359.db2.gz HHXCTHAGXMZFNU-QZTJIDSGSA-N 1 0 338.455 2.846 50 0 EFAARO CN(C)c1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cn1 ZINC000120931271 472770412 /nfs/dbraw/zinc/77/04/12/472770412.db2.gz ASWIOSCJBDCGIW-UHFFFAOYSA-N 1 0 336.443 2.570 50 0 EFAARO CCCc1n[nH]cc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC=C(C)C)C1 ZINC000091486788 472773338 /nfs/dbraw/zinc/77/33/38/472773338.db2.gz SUDJDXLSXQTLGJ-HZPDHXFCSA-N 1 0 330.476 2.865 50 0 EFAARO C[C@@H]1CN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC000091519215 472775207 /nfs/dbraw/zinc/77/52/07/472775207.db2.gz OOWLSDWWFIHZDN-UTKZUKDTSA-N 1 0 344.499 2.908 50 0 EFAARO CCc1cc(N2CC[C@@H](Cc3cccc(CO)c3)C2)nc(N(C)C)[nH+]1 ZINC000091547805 472776003 /nfs/dbraw/zinc/77/60/03/472776003.db2.gz CQULRSGDFPQNQK-INIZCTEOSA-N 1 0 340.471 2.666 50 0 EFAARO CCC(C)(C)c1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)cc1 ZINC000091552089 472777658 /nfs/dbraw/zinc/77/76/58/472777658.db2.gz VLUKIXUJNAQBNW-SJORKVTESA-N 1 0 336.501 2.732 50 0 EFAARO CCC[C@H](C)C[N@@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000091596157 472780563 /nfs/dbraw/zinc/78/05/63/472780563.db2.gz BZMKYLJTSUZYRT-HNNXBMFYSA-N 1 0 332.492 2.941 50 0 EFAARO O=C1NCCC[C@]12CC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C2 ZINC000091625794 472785393 /nfs/dbraw/zinc/78/53/93/472785393.db2.gz SCSKOIHJECNVIT-OAHLLOKOSA-N 1 0 330.325 2.947 50 0 EFAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000091635441 472788853 /nfs/dbraw/zinc/78/88/53/472788853.db2.gz LKAQYZQEARETCK-UHFFFAOYSA-N 1 0 328.464 2.665 50 0 EFAARO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cc1 ZINC000091644570 472788971 /nfs/dbraw/zinc/78/89/71/472788971.db2.gz LOVYHEQZJHNJNA-QRWLVFNGSA-N 1 0 346.471 2.645 50 0 EFAARO CCC[C@H]1C[N@H+](CC2CCC2)C[C@@H]1NC(=O)c1nn(C)cc1Cl ZINC000091663169 472789803 /nfs/dbraw/zinc/78/98/03/472789803.db2.gz BQXBGWUDDYEABO-ZFWWWQNUSA-N 1 0 338.883 2.704 50 0 EFAARO CCc1nc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)cs1 ZINC000091656650 472791005 /nfs/dbraw/zinc/79/10/05/472791005.db2.gz DKCLCFQVLXRURA-RHSMWYFYSA-N 1 0 335.517 2.781 50 0 EFAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc[nH]1)CC2 ZINC000091690271 472794265 /nfs/dbraw/zinc/79/42/65/472794265.db2.gz IGJJRJYWSPWUIJ-UHFFFAOYSA-N 1 0 341.459 2.528 50 0 EFAARO CCCCOc1c(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3O)cccc1OC ZINC000091713796 472798355 /nfs/dbraw/zinc/79/83/55/472798355.db2.gz VMVXEEPWBYMVFM-HDICACEKSA-N 1 0 349.471 2.582 50 0 EFAARO Cc1ccc(C)c2c(=O)cc(CN3CC[N@@H+]4CCCC[C@@H]4C3)[nH]c12 ZINC000091780671 472806730 /nfs/dbraw/zinc/80/67/30/472806730.db2.gz PHCAVZKQNMHCRM-QGZVFWFLSA-N 1 0 325.456 2.815 50 0 EFAARO c1cnn(Cc2nnc(C3CCN(c4cc[nH+]cc4)CC3)n2C2CC2)c1 ZINC000091808033 472811323 /nfs/dbraw/zinc/81/13/23/472811323.db2.gz BBKIXFSIEXNOAQ-UHFFFAOYSA-N 1 0 349.442 2.637 50 0 EFAARO C[C@@H](C(=O)N1CCCC1)[NH+]1CCC(c2nccn2CC2CCC2)CC1 ZINC000091845794 472815994 /nfs/dbraw/zinc/81/59/94/472815994.db2.gz AQINMTNMAXOEJD-INIZCTEOSA-N 1 0 344.503 2.874 50 0 EFAARO O=C(Cc1ccc(O)cc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091847913 472816878 /nfs/dbraw/zinc/81/68/78/472816878.db2.gz NKULJUYMCNHOIW-QZTJIDSGSA-N 1 0 328.456 2.658 50 0 EFAARO Cn1cc(CC[NH+]2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)cn1 ZINC000091877228 472819240 /nfs/dbraw/zinc/81/92/40/472819240.db2.gz VMQRIXCPTINBKC-UHFFFAOYSA-N 1 0 344.503 2.610 50 0 EFAARO CCC[C@@]1(CO)CCC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000091876849 472820640 /nfs/dbraw/zinc/82/06/40/472820640.db2.gz VVVCUDHGNOAFQB-LJQANCHMSA-N 1 0 326.444 2.913 50 0 EFAARO Cc1nn(C)c(C)c1CN(C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21)C(C)C ZINC000063871869 472823275 /nfs/dbraw/zinc/82/32/75/472823275.db2.gz AZJWFHBNLKOVDW-WOJBJXKFSA-N 1 0 348.535 2.627 50 0 EFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2c[nH]cn2)C3)cc1 ZINC000091894403 472823420 /nfs/dbraw/zinc/82/34/20/472823420.db2.gz ATEVXBBBFORBAE-FUHWJXTLSA-N 1 0 326.444 2.515 50 0 EFAARO c1cc(C[NH2+]Cc2cccnc2-n2ccnc2)n(-c2nccs2)c1 ZINC000063885201 472824035 /nfs/dbraw/zinc/82/40/35/472824035.db2.gz JDLTVIDIDKKJHE-UHFFFAOYSA-N 1 0 336.424 2.804 50 0 EFAARO Cc1ccc(C[NH+]2CCC3(CC2)NC(c2ccccc2)=NC3=O)s1 ZINC000063882523 472824380 /nfs/dbraw/zinc/82/43/80/472824380.db2.gz YNDXVPWWMGFCPR-UHFFFAOYSA-N 1 0 339.464 2.968 50 0 EFAARO Cc1cc(N2CCC(Cn3cc(C4CCCC4)nn3)CC2)nc(N)[nH+]1 ZINC000063883634 472824405 /nfs/dbraw/zinc/82/44/05/472824405.db2.gz NSFSJQOQNKYXQE-UHFFFAOYSA-N 1 0 341.463 2.533 50 0 EFAARO CCN1CC2(CCC1=O)CC[NH+](CCOc1ccc(F)cc1)CC2 ZINC000091895151 472824426 /nfs/dbraw/zinc/82/44/26/472824426.db2.gz QSKQXFOYMAMHBT-UHFFFAOYSA-N 1 0 334.435 2.929 50 0 EFAARO CCN(CC)CC[N@@H+]1CC[C@@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091943694 472830107 /nfs/dbraw/zinc/83/01/07/472830107.db2.gz WXKDOWYEGSVYAT-HXUWFJFHSA-N 1 0 335.536 2.975 50 0 EFAARO CCN(CC)CC[N@@H+]1CC[C@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091943695 472830273 /nfs/dbraw/zinc/83/02/73/472830273.db2.gz WXKDOWYEGSVYAT-FQEVSTJZSA-N 1 0 335.536 2.975 50 0 EFAARO COCCC[N@@H+]1CC[C@H](CNC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC000091950896 472830715 /nfs/dbraw/zinc/83/07/15/472830715.db2.gz MKOVPELKMCFEQI-MRXNPFEDSA-N 1 0 343.471 2.873 50 0 EFAARO Cc1nn(C)cc1-c1ccnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000048200554 472831047 /nfs/dbraw/zinc/83/10/47/472831047.db2.gz WQBUUFDNAVYSQZ-UHFFFAOYSA-N 1 0 328.464 2.907 50 0 EFAARO CC(C)([NH3+])c1cn(C2CCN(C(=O)C3(C)CCCCC3)CC2)nn1 ZINC000048218418 472834012 /nfs/dbraw/zinc/83/40/12/472834012.db2.gz WTOOQHJUFZTVNO-UHFFFAOYSA-N 1 0 333.480 2.606 50 0 EFAARO Cc1nc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccn3)C2)cs1 ZINC000091987090 472836629 /nfs/dbraw/zinc/83/66/29/472836629.db2.gz XBVFHGSMEIEKIU-MAUKXSAKSA-N 1 0 328.485 2.943 50 0 EFAARO Cc1nc(Cn2cc(-c3cc(C[NH+]4CCCCC4)cs3)nn2)no1 ZINC000091986241 472836944 /nfs/dbraw/zinc/83/69/44/472836944.db2.gz PAKBHFGVNHJQMA-UHFFFAOYSA-N 1 0 344.444 2.732 50 0 EFAARO Cc1cccc2cc(C(=O)N3C[C@H](CO)[C@H](C[NH+]4CCCC4)C3)oc21 ZINC000091997914 472838686 /nfs/dbraw/zinc/83/86/86/472838686.db2.gz UOANPYWMVQISRK-IAGOWNOFSA-N 1 0 342.439 2.518 50 0 EFAARO O=C1[C@@H](c2ccccc2)CC2(CC[NH+](CCCO)CC2)CN1C1CC1 ZINC000092065322 472848465 /nfs/dbraw/zinc/84/84/65/472848465.db2.gz MVFRPSVVIITROM-LJQANCHMSA-N 1 0 342.483 2.630 50 0 EFAARO Cc1ocnc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000092061960 472849072 /nfs/dbraw/zinc/84/90/72/472849072.db2.gz QLQDNSBMQOBNOP-DLBZAZTESA-N 1 0 325.412 2.720 50 0 EFAARO CCO[C@H]1C[C@@H](O)C12CC[NH+](C1CCN(c3ccccc3)CC1)CC2 ZINC000092081492 472856736 /nfs/dbraw/zinc/85/67/36/472856736.db2.gz XFCUCUCZUBMPOS-UXHICEINSA-N 1 0 344.499 2.907 50 0 EFAARO C[NH+](C)[C@@H](CNC(=O)N1CCOc2ccccc2C1)c1cccs1 ZINC000079570822 472886888 /nfs/dbraw/zinc/88/68/88/472886888.db2.gz UJRKCFGDJYYPHD-HNNXBMFYSA-N 1 0 345.468 2.955 50 0 EFAARO Cc1ccc(-c2noc(CC[NH+]3CCN(c4ccccn4)CC3)n2)cc1 ZINC000065288297 472921668 /nfs/dbraw/zinc/92/16/68/472921668.db2.gz IAUFUEMGRQCKIQ-UHFFFAOYSA-N 1 0 349.438 2.805 50 0 EFAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1-c1cnc2ccnn2c1C ZINC000065375389 472929333 /nfs/dbraw/zinc/92/93/33/472929333.db2.gz YUWWUGCVWJTVCX-UHFFFAOYSA-N 1 0 331.383 2.866 50 0 EFAARO C[C@H]([NH2+]CCc1csc(-c2cccnc2)n1)C(=O)NC1CCCC1 ZINC000065376391 472930027 /nfs/dbraw/zinc/93/00/27/472930027.db2.gz GGEJINLYNMFLRT-ZDUSSCGKSA-N 1 0 344.484 2.785 50 0 EFAARO COC[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2c(C)cnn2C)c1 ZINC000065376327 472930393 /nfs/dbraw/zinc/93/03/93/472930393.db2.gz JYLKOFIDRZFXOY-KRWDZBQOSA-N 1 0 342.443 2.592 50 0 EFAARO COc1cc(CCC(=O)N2CCC3(CC[N@H+](C)C3)CC2)ccc1C ZINC000065382936 472931270 /nfs/dbraw/zinc/93/12/70/472931270.db2.gz ZYJHYDYETXCEPB-UHFFFAOYSA-N 1 0 330.472 2.881 50 0 EFAARO CC(C)n1ccnc1CNC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000065386117 472931541 /nfs/dbraw/zinc/93/15/41/472931541.db2.gz UGRWHQLZHRJGLW-UHFFFAOYSA-N 1 0 330.432 2.585 50 0 EFAARO CCOc1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)cc(Cl)c1O ZINC000065394817 472932008 /nfs/dbraw/zinc/93/20/08/472932008.db2.gz RUGNIBCOLWSMGE-UHFFFAOYSA-N 1 0 338.835 2.546 50 0 EFAARO CCn1c(=O)[nH]nc1CC1CC[NH+](C/C(C)=C/c2ccco2)CC1 ZINC000065395843 472932359 /nfs/dbraw/zinc/93/23/59/472932359.db2.gz RAQMYCGEVJKFSC-SDNWHVSQSA-N 1 0 330.432 2.542 50 0 EFAARO Cc1cc(C)nc(CC[NH2+]CC(=O)Nc2ccc(Cl)cc2F)n1 ZINC000065399286 472934021 /nfs/dbraw/zinc/93/40/21/472934021.db2.gz RVXYWZFVXXALGO-UHFFFAOYSA-N 1 0 336.798 2.657 50 0 EFAARO O=C(C[C@@H]1CCc2ccccc21)NC1CC[NH+](C2CCOCC2)CC1 ZINC000065406962 472934927 /nfs/dbraw/zinc/93/49/27/472934927.db2.gz NYEWTSOCGPFOCY-KRWDZBQOSA-N 1 0 342.483 2.866 50 0 EFAARO NC(=O)c1ccc(NC(=O)CC[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000065408089 472935088 /nfs/dbraw/zinc/93/50/88/472935088.db2.gz XJZJXAFECJIQTJ-GOSISDBHSA-N 1 0 337.423 2.781 50 0 EFAARO Cc1[nH+]c(N(C)C)nc(N(C)Cc2cc(-c3ccncc3)no2)c1C ZINC000065404893 472935131 /nfs/dbraw/zinc/93/51/31/472935131.db2.gz FWFIVJUBMKRLPX-UHFFFAOYSA-N 1 0 338.415 2.846 50 0 EFAARO COc1cccc([C@@H]2CC[N@H+](Cc3ccc(OC)c(O)c3)C[C@H]2O)c1 ZINC000065434340 472941068 /nfs/dbraw/zinc/94/10/68/472941068.db2.gz NDYLNVFPOKZIPX-PKOBYXMFSA-N 1 0 343.423 2.760 50 0 EFAARO C[C@H]([NH2+]CCC(=O)Nc1cccnc1)c1cnn(-c2ccccc2)c1 ZINC000065432271 472941177 /nfs/dbraw/zinc/94/11/77/472941177.db2.gz IBLRMOHNLRETPH-HNNXBMFYSA-N 1 0 335.411 2.947 50 0 EFAARO Fc1ccc([C@]2(C[NH2+]Cc3nc(-c4ccco4)no3)CCOC2)cc1 ZINC000065429394 472941737 /nfs/dbraw/zinc/94/17/37/472941737.db2.gz KTNHBNBTNFPVEY-SFHVURJKSA-N 1 0 343.358 2.917 50 0 EFAARO CCc1cc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)nc(N(C)C)[nH+]1 ZINC000065434164 472941918 /nfs/dbraw/zinc/94/19/18/472941918.db2.gz RGZBMVGEKZBLGI-GFCCVEGCSA-N 1 0 348.472 2.682 50 0 EFAARO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC3(CNC(=O)C3)CC2)c1C ZINC000065460299 472946810 /nfs/dbraw/zinc/94/68/10/472946810.db2.gz IYOXNNLOJRELGA-UHFFFAOYSA-N 1 0 328.456 2.917 50 0 EFAARO Cc1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)c2cccnc12 ZINC000065463329 472948485 /nfs/dbraw/zinc/94/84/85/472948485.db2.gz SAYGNAGQWPSZEE-UHFFFAOYSA-N 1 0 337.402 2.795 50 0 EFAARO Cc1nc(CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)nc2c1CCCC2 ZINC000065470227 472950007 /nfs/dbraw/zinc/95/00/07/472950007.db2.gz VAHJAHCWDBDLKG-INIZCTEOSA-N 1 0 344.503 2.587 50 0 EFAARO CC(C)c1nnsc1CNc1nc(CC[NH3+])nc2ccccc21 ZINC000065492451 472955961 /nfs/dbraw/zinc/95/59/61/472955961.db2.gz KFJTWNSSEWRBLJ-UHFFFAOYSA-N 1 0 328.445 2.718 50 0 EFAARO Cc1ccccc1-c1ncc(C[NH+]2CCC3(CNC(=O)C3)CC2)cn1 ZINC000065530506 472968466 /nfs/dbraw/zinc/96/84/66/472968466.db2.gz KYQCYSJCVVLXHQ-UHFFFAOYSA-N 1 0 336.439 2.554 50 0 EFAARO CC(C)=CCC[N@H+]1CCC[C@@H](c2nnc(Cn3ccnc3C)n2C)C1 ZINC000095361280 473190299 /nfs/dbraw/zinc/19/02/99/473190299.db2.gz HXWASYKWLXCGOC-QGZVFWFLSA-N 1 0 342.491 2.904 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(O)(Cc2ccccc2)CC1 ZINC000095355739 473190644 /nfs/dbraw/zinc/19/06/44/473190644.db2.gz BDZHXGSNICTJKF-LJQANCHMSA-N 1 0 344.499 2.847 50 0 EFAARO CC(C)c1noc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)n1 ZINC000095361685 473191122 /nfs/dbraw/zinc/19/11/22/473191122.db2.gz FRYLNPRQWNWBFH-DOTOQJQBSA-N 1 0 341.459 2.684 50 0 EFAARO C[N@@H+]1CCC[C@H](CCC(=O)NCCN2CCCc3ccccc32)C1 ZINC000095362399 473191341 /nfs/dbraw/zinc/19/13/41/473191341.db2.gz YJSNBACSMWMIHB-QGZVFWFLSA-N 1 0 329.488 2.677 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(O)(Cc2ccccc2)CC1 ZINC000095355740 473191473 /nfs/dbraw/zinc/19/14/73/473191473.db2.gz BDZHXGSNICTJKF-IBGZPJMESA-N 1 0 344.499 2.847 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2ccc(Cl)cn2)C1 ZINC000095366291 473191790 /nfs/dbraw/zinc/19/17/90/473191790.db2.gz XZUCGUMFQZVRSO-CQSZACIVSA-N 1 0 333.867 2.877 50 0 EFAARO C[C@@H]1CN(C(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)CC[NH2+]1 ZINC000095363772 473191832 /nfs/dbraw/zinc/19/18/32/473191832.db2.gz LXRTUMLJXVJHFW-CYBMUJFWSA-N 1 0 338.386 2.574 50 0 EFAARO CN(C)[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCC1)c1ccccc1F ZINC000095371925 473191895 /nfs/dbraw/zinc/19/18/95/473191895.db2.gz WTZWQSIARAMLFO-GOSISDBHSA-N 1 0 335.467 2.761 50 0 EFAARO Cc1nccn1CCCC(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000095370645 473191963 /nfs/dbraw/zinc/19/19/63/473191963.db2.gz FULSINQBCRGZJM-SFHVURJKSA-N 1 0 332.492 2.839 50 0 EFAARO Cc1ccc2cccc(OCCn3cc([C@@H]4CCC[NH2+]C4)nn3)c2n1 ZINC000095370270 473191978 /nfs/dbraw/zinc/19/19/78/473191978.db2.gz KWNOTFAEUNRGDN-MRXNPFEDSA-N 1 0 337.427 2.681 50 0 EFAARO COC(=O)c1ccc2ccn(CC[C@@H]3CCCC[N@@H+]3C)c(=O)c2c1 ZINC000095366797 473192155 /nfs/dbraw/zinc/19/21/55/473192155.db2.gz QIOAFVVNFYXPSC-INIZCTEOSA-N 1 0 328.412 2.663 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1nc(-c2ccccc2F)no1 ZINC000095364356 473192219 /nfs/dbraw/zinc/19/22/19/473192219.db2.gz MABNGYOZZMNBGX-CYBMUJFWSA-N 1 0 346.406 2.756 50 0 EFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N(CCCO)Cc1ccc(Cl)cc1 ZINC000095369187 473192469 /nfs/dbraw/zinc/19/24/69/473192469.db2.gz MJDCHQXLSBSFIA-QGZVFWFLSA-N 1 0 338.879 2.925 50 0 EFAARO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095369041 473192570 /nfs/dbraw/zinc/19/25/70/473192570.db2.gz SJJYDNRUUUTQFU-AWEZNQCLSA-N 1 0 332.423 2.925 50 0 EFAARO CSCC[NH+]1CCC(Nc2ncnc3nc(C)cc(C)c32)CC1 ZINC000095367558 473192610 /nfs/dbraw/zinc/19/26/10/473192610.db2.gz RSJXGCROIKVMBY-UHFFFAOYSA-N 1 0 331.489 2.881 50 0 EFAARO O=C(c1ccccn1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095380473 473192964 /nfs/dbraw/zinc/19/29/64/473192964.db2.gz YYKHFISYHXGMPR-QFBILLFUSA-N 1 0 347.462 2.785 50 0 EFAARO C[N@@H+]1CCC[C@H](CCC(=O)NCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000095378299 473193283 /nfs/dbraw/zinc/19/32/83/473193283.db2.gz ZAFHQDDQTAXCLW-CYBMUJFWSA-N 1 0 348.878 2.997 50 0 EFAARO CC(C)(C)c1cc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)[nH]n1 ZINC000095378866 473193544 /nfs/dbraw/zinc/19/35/44/473193544.db2.gz PSCPJCVXVMXZEN-OXQOHEQNSA-N 1 0 341.455 2.678 50 0 EFAARO Nc1ncccc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095373665 473193595 /nfs/dbraw/zinc/19/35/95/473193595.db2.gz GCRWZCMUWDAAJP-QFBILLFUSA-N 1 0 340.446 2.899 50 0 EFAARO O=C(NCCCc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095379705 473193806 /nfs/dbraw/zinc/19/38/06/473193806.db2.gz YANFMLJSGYYLSR-QGZVFWFLSA-N 1 0 348.462 2.766 50 0 EFAARO CCc1noc(CN(CC)C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)n1 ZINC000095386439 473194213 /nfs/dbraw/zinc/19/42/13/473194213.db2.gz IVERHQVTKGNUQP-MRXNPFEDSA-N 1 0 342.443 2.761 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N(CCO)Cc1ccccc1Cl ZINC000095387476 473194243 /nfs/dbraw/zinc/19/42/43/473194243.db2.gz VPYNBKZGVJGEOC-MRXNPFEDSA-N 1 0 338.879 2.925 50 0 EFAARO CCn1nc(CNC(=O)CC2CC[NH+](CC)CC2)c2ccccc21 ZINC000095387557 473194340 /nfs/dbraw/zinc/19/43/40/473194340.db2.gz XUCUOPAZWAZNIK-UHFFFAOYSA-N 1 0 328.460 2.794 50 0 EFAARO Cc1nccn1Cc1nnc([C@@H]2CCC[N@H+](CC3CCCC3)C2)n1C ZINC000095391127 473194358 /nfs/dbraw/zinc/19/43/58/473194358.db2.gz KMVZCFVNFGPJPK-QGZVFWFLSA-N 1 0 342.491 2.738 50 0 EFAARO CSc1ncc(CNC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)n1C ZINC000095387235 473194476 /nfs/dbraw/zinc/19/44/76/473194476.db2.gz RADZHRHOCRAASJ-HNNXBMFYSA-N 1 0 344.484 2.539 50 0 EFAARO COCCCN1CC2(CC1=O)CC[NH+](Cc1cccc(C)c1)CC2 ZINC000095384788 473194483 /nfs/dbraw/zinc/19/44/83/473194483.db2.gz SPEFCDNFSGCIKQ-UHFFFAOYSA-N 1 0 330.472 2.846 50 0 EFAARO O=C(c1cccc(O)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095386903 473194568 /nfs/dbraw/zinc/19/45/68/473194568.db2.gz UPUVNPUJQPRKSY-FUHWJXTLSA-N 1 0 337.423 2.524 50 0 EFAARO O=C(C1CC[NH+](C2CCCCC2)CC1)N1CCC(c2nnc[nH]2)CC1 ZINC000095385589 473194587 /nfs/dbraw/zinc/19/45/87/473194587.db2.gz ZCWIDRLRADGTFS-UHFFFAOYSA-N 1 0 345.491 2.555 50 0 EFAARO COCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095390285 473194914 /nfs/dbraw/zinc/19/49/14/473194914.db2.gz NTLRTKITWQKSKR-GOSISDBHSA-N 1 0 342.483 2.894 50 0 EFAARO O=C(N[C@@H]1CCN(c2ccccn2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000126370632 473511148 /nfs/dbraw/zinc/51/11/48/473511148.db2.gz AXCUQNJVBMWDAS-VQBCORBOSA-N 1 0 340.471 2.928 50 0 EFAARO COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CN1CCN(C)CC1 ZINC000169681393 473548260 /nfs/dbraw/zinc/54/82/60/473548260.db2.gz DQAPLRLZIYTUGS-OAHLLOKOSA-N 1 0 345.487 2.561 50 0 EFAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccco2)n[nH]1 ZINC000169681012 473548374 /nfs/dbraw/zinc/54/83/74/473548374.db2.gz YSVKCYCPZSDEBP-CJNGLKHVSA-N 1 0 328.416 2.664 50 0 EFAARO C[NH+](C)[C@@H](CNC(=O)N1CCC(c2cc[nH]n2)CC1)c1cccs1 ZINC000172505271 473627223 /nfs/dbraw/zinc/62/72/23/473627223.db2.gz YKMPHJORVHDISE-HNNXBMFYSA-N 1 0 347.488 2.663 50 0 EFAARO COc1cc2c(cc1C[N@H+](C)CCC1(O)CCCC1)OCCCO2 ZINC000215877135 474140125 /nfs/dbraw/zinc/14/01/25/474140125.db2.gz KHEOYWFSIGQPBO-UHFFFAOYSA-N 1 0 335.444 2.984 50 0 EFAARO CCc1nccn1CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000219916897 474151123 /nfs/dbraw/zinc/15/11/23/474151123.db2.gz BJSZZLIMDHPRDO-SFHVURJKSA-N 1 0 340.471 2.616 50 0 EFAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1cccnc1 ZINC000220035101 474153023 /nfs/dbraw/zinc/15/30/23/474153023.db2.gz ICKHTYFTDSTZND-FQEVSTJZSA-N 1 0 337.467 2.995 50 0 EFAARO CC(=O)c1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C)c3)CC2)s1 ZINC000220244602 474154848 /nfs/dbraw/zinc/15/48/48/474154848.db2.gz QOCNCEJIUPOMHZ-UHFFFAOYSA-N 1 0 343.452 2.925 50 0 EFAARO CC(C)(C)n1ccc(C(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000221417802 474161214 /nfs/dbraw/zinc/16/12/14/474161214.db2.gz SQFUUTFYGKXEGY-SFHVURJKSA-N 1 0 347.503 2.960 50 0 EFAARO O[C@@H](c1cc2n(n1)CCC[N@H+](CCCc1cccnc1)C2)C1CC1 ZINC000223034219 474178510 /nfs/dbraw/zinc/17/85/10/474178510.db2.gz BPMXHWIELURBDW-LJQANCHMSA-N 1 0 326.444 2.560 50 0 EFAARO c1nc(CO[C@@H]2COCC[C@H]2[NH2+]C2Cc3ccccc3C2)cs1 ZINC000223079498 474179098 /nfs/dbraw/zinc/17/90/98/474179098.db2.gz VEEGPAHXLYSTHB-QZTJIDSGSA-N 1 0 330.453 2.574 50 0 EFAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCCC1)c1ccccc1Cl ZINC000223585549 474186857 /nfs/dbraw/zinc/18/68/57/474186857.db2.gz YTTGJZBYLIQJGF-XLNGHYISSA-N 1 0 334.847 2.712 50 0 EFAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)C1(c2ccc(Cl)cc2)CCC1 ZINC000223687239 474189231 /nfs/dbraw/zinc/18/92/31/474189231.db2.gz PASHNZYCTFRBGM-IRXDYDNUSA-N 1 0 348.874 2.741 50 0 EFAARO COc1cccc(OCC(=O)NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000223821602 474190748 /nfs/dbraw/zinc/19/07/48/474190748.db2.gz JLHIFIQZHHSCSN-INIZCTEOSA-N 1 0 346.471 2.845 50 0 EFAARO CCS(=O)(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000223943047 474194218 /nfs/dbraw/zinc/19/42/18/474194218.db2.gz AUWUQXCFQYOALL-QGZVFWFLSA-N 1 0 342.480 2.708 50 0 EFAARO O=C(NC[C@H](c1ccsc1)N1CCC1)c1ccc2nsnc2c1 ZINC000225593697 474228051 /nfs/dbraw/zinc/22/80/51/474228051.db2.gz KJIJMJHKGXWJDK-OAHLLOKOSA-N 1 0 344.465 2.930 50 0 EFAARO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000229219636 474251453 /nfs/dbraw/zinc/25/14/53/474251453.db2.gz SVPGPJOHIBFJTK-IAGOWNOFSA-N 1 0 329.444 2.646 50 0 EFAARO CC(C)Cn1cncc1CNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000230513776 474260616 /nfs/dbraw/zinc/26/06/16/474260616.db2.gz OCPIHAIIPAUXOZ-SFHVURJKSA-N 1 0 340.471 2.645 50 0 EFAARO O=C(CCCn1ccnc1)NC[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000240163545 474547726 /nfs/dbraw/zinc/54/77/26/474547726.db2.gz JBVGOUSEIDMZAJ-HNNXBMFYSA-N 1 0 346.862 2.959 50 0 EFAARO CC[C@@H](C(=O)N(CC)CCc1nc2cc(F)ccc2[nH]1)[NH+]1CCCC1 ZINC000240824917 474551157 /nfs/dbraw/zinc/55/11/57/474551157.db2.gz QMBNVRUHORRHPQ-KRWDZBQOSA-N 1 0 346.450 2.967 50 0 EFAARO COc1cc2c(cc1OC)C[N@H+](C[C@H](O)CO[C@H]1CCC[C@H]1C)CC2 ZINC000244673992 474565389 /nfs/dbraw/zinc/56/53/89/474565389.db2.gz HZKWJLGDBRNGQP-JLSDUUJJSA-N 1 0 349.471 2.628 50 0 EFAARO Fc1ccc(-c2cc(N3CC[N@@H+]4CCC[C@H]4C3)n3nccc3n2)cc1 ZINC000244659790 474565542 /nfs/dbraw/zinc/56/55/42/474565542.db2.gz HIRVFTKHERLOAP-INIZCTEOSA-N 1 0 337.402 2.820 50 0 EFAARO Cc1cc(C)c2[nH]c(C[NH2+]C[C@H]3CC[C@H](C(N)=O)CC3)cc(=O)c2c1 ZINC000244673909 474565747 /nfs/dbraw/zinc/56/57/47/474565747.db2.gz HXVZORKPGJAVMM-SHTZXODSSA-N 1 0 341.455 2.939 50 0 EFAARO OC1(c2ccc(F)cc2)CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000244796032 474566506 /nfs/dbraw/zinc/56/65/06/474566506.db2.gz RRSKZYPNVGSASB-QGZVFWFLSA-N 1 0 343.398 2.949 50 0 EFAARO OC1(c2ccc(F)cc2)CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000244796031 474566559 /nfs/dbraw/zinc/56/65/59/474566559.db2.gz RRSKZYPNVGSASB-KRWDZBQOSA-N 1 0 343.398 2.949 50 0 EFAARO CCc1cc(N[C@H]2CC[C@H](n3cnnc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000244816911 474567224 /nfs/dbraw/zinc/56/72/24/474567224.db2.gz SQXRMCBJFBTUSF-WKILWMFISA-N 1 0 341.463 2.827 50 0 EFAARO Cc1nccc(C2CC[NH+]([C@H](C)C(=O)NCc3ccccc3)CC2)n1 ZINC000252482003 474668080 /nfs/dbraw/zinc/66/80/80/474668080.db2.gz CWQBNQOTRHKUEI-OAHLLOKOSA-N 1 0 338.455 2.669 50 0 EFAARO CCc1nnc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccccn2)s1 ZINC000252490548 474677297 /nfs/dbraw/zinc/67/72/97/474677297.db2.gz KWUPOKWODHICQQ-CYBMUJFWSA-N 1 0 331.445 2.661 50 0 EFAARO CCN(C[C@H]1CC[N@H+](C)C1)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000252497602 474680862 /nfs/dbraw/zinc/68/08/62/474680862.db2.gz QKRFTLRQWDGWPS-HNNXBMFYSA-N 1 0 327.432 2.678 50 0 EFAARO COC[C@@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000252501284 474682931 /nfs/dbraw/zinc/68/29/31/474682931.db2.gz UDLWWOGGUZKUBV-GFCCVEGCSA-N 1 0 326.824 2.646 50 0 EFAARO Cc1ccc(C(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)cc1Cl ZINC000252522942 474692888 /nfs/dbraw/zinc/69/28/88/474692888.db2.gz BMKWFPCNLPHNGX-BFYDXBDKSA-N 1 0 336.863 2.517 50 0 EFAARO Cn1c(COc2cccc(C(F)(F)F)c2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252548746 474695109 /nfs/dbraw/zinc/69/51/09/474695109.db2.gz QJUPOVAKIMVGKX-JGZJWPJOSA-N 1 0 326.322 2.618 50 0 EFAARO Cc1noc(C)c1CCC(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253414739 474741941 /nfs/dbraw/zinc/74/19/41/474741941.db2.gz YKQNIDCTPIKJMA-FUHWJXTLSA-N 1 0 333.476 2.947 50 0 biogenic EFAARO Cc1[nH]c2c(cc(F)cc2F)c1CCNC(=O)[C@H]1[C@@H]([NH3+])[C@H]2C=C[C@@H]1C2 ZINC000299763862 476150531 /nfs/dbraw/zinc/15/05/31/476150531.db2.gz FUTOLIPKYJGTIJ-KRRMDGCSSA-N 1 0 345.393 2.563 50 0 EFAARO O=C(CCc1cccc(F)c1)N[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000299754908 476152084 /nfs/dbraw/zinc/15/20/84/476152084.db2.gz BYNMMFLDPPYJFD-LJQANCHMSA-N 1 0 341.430 2.934 50 0 EFAARO Cc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)s1 ZINC000299755161 476152124 /nfs/dbraw/zinc/15/21/24/476152124.db2.gz AUKQHLYIBDGXFM-UHFFFAOYSA-N 1 0 340.456 2.671 50 0 EFAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccccn1 ZINC000299774766 476152687 /nfs/dbraw/zinc/15/26/87/476152687.db2.gz GHHDZWUHPMJGEU-KRWDZBQOSA-N 1 0 328.412 2.938 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cnn(-c4ccccc4F)c3)[C@H]1C[C@@H](O)CC2 ZINC000299774094 476153982 /nfs/dbraw/zinc/15/39/82/476153982.db2.gz GIAYCJRQRLQFSS-ZYSHUDEJSA-N 1 0 345.418 2.516 50 0 EFAARO O=C(C1CC[NH+](Cc2ccnn2-c2ccccc2)CC1)N1CCCC1 ZINC000448212669 477145140 /nfs/dbraw/zinc/14/51/40/477145140.db2.gz LNWPQYCWYQKEFD-UHFFFAOYSA-N 1 0 338.455 2.707 50 0 EFAARO CN(CC[C@@H]1CCCCO1)C(=O)c1cc(Cl)ccc1OCC[NH3+] ZINC000426518321 477711472 /nfs/dbraw/zinc/71/14/72/477711472.db2.gz MEPGMVWYPRFDFS-AWEZNQCLSA-N 1 0 340.851 2.709 50 0 EFAARO Cn1c(SCCOCc2ccccc2)nnc1[C@H]1CCC[NH2+]C1 ZINC000426523558 477713868 /nfs/dbraw/zinc/71/38/68/477713868.db2.gz QENOSADKOLYFAT-HNNXBMFYSA-N 1 0 332.473 2.591 50 0 EFAARO C[NH2+]Cc1nnc(SCc2ccc(F)c(C(F)(F)F)c2)n1C ZINC000426528085 477715482 /nfs/dbraw/zinc/71/54/82/477715482.db2.gz TUAOMXFDVCTSFF-UHFFFAOYSA-N 1 0 334.342 2.985 50 0 EFAARO C[C@H](NC(=O)c1cc(Cl)ccc1OCC[NH3+])[C@H](O)c1ccccc1 ZINC000426548373 477719187 /nfs/dbraw/zinc/71/91/87/477719187.db2.gz BBSMZKJOHIIMHW-SJCJKPOMSA-N 1 0 348.830 2.529 50 0 EFAARO NC(=O)C1(NC(=O)c2cccc(C[NH+]3CCCCCC3)c2)CCCC1 ZINC000426545424 477719391 /nfs/dbraw/zinc/71/93/91/477719391.db2.gz PVLDZGNFMDTWMM-UHFFFAOYSA-N 1 0 343.471 2.591 50 0 EFAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)N1CC(c2cccnc2)C1 ZINC000426593888 477723867 /nfs/dbraw/zinc/72/38/67/477723867.db2.gz WJCCYWYRELDGNB-UHFFFAOYSA-N 1 0 345.830 2.702 50 0 EFAARO CCc1oc(C(=O)N2CCc3nocc3C2)cc1C[NH+]1CCCC1 ZINC000426589158 477723917 /nfs/dbraw/zinc/72/39/17/477723917.db2.gz WXVDWUPBNUJVNR-UHFFFAOYSA-N 1 0 329.400 2.624 50 0 EFAARO O=C(NCc1ccco1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000426641565 477730832 /nfs/dbraw/zinc/73/08/32/477730832.db2.gz PJEYBEZVUZQSHC-SFHVURJKSA-N 1 0 339.439 2.664 50 0 EFAARO OCCn1ccc([C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)n1 ZINC000426647860 477732292 /nfs/dbraw/zinc/73/22/92/477732292.db2.gz CJOYBXFVMCGQID-AWEZNQCLSA-N 1 0 342.468 2.865 50 0 EFAARO COc1cc(C)ccc1C[N@@H+]1CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12 ZINC000426662632 477733912 /nfs/dbraw/zinc/73/39/12/477733912.db2.gz ZXHHVXWPLZUSFT-YSIASYRMSA-N 1 0 349.471 2.525 50 0 EFAARO CCC1CC[NH+](CCNC(=O)N(C)[C@@H](C)Cc2ccccn2)CC1 ZINC000426701502 477740362 /nfs/dbraw/zinc/74/03/62/477740362.db2.gz WZEPITUXUYHUMN-INIZCTEOSA-N 1 0 332.492 2.776 50 0 EFAARO O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)N1C[C@H]2C[C@@H]1CCC2 ZINC000534575216 478157653 /nfs/dbraw/zinc/15/76/53/478157653.db2.gz JIXQDCXXBUOTIE-QAPCUYQASA-N 1 0 343.471 2.941 50 0 EFAARO CCCOc1ccc(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000534590096 478160647 /nfs/dbraw/zinc/16/06/47/478160647.db2.gz ADKGNFREWNSQMT-QGZVFWFLSA-N 1 0 331.460 2.508 50 0 EFAARO CN(CCSc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000534586970 478161239 /nfs/dbraw/zinc/16/12/39/478161239.db2.gz GDPIIUXVAXDZKP-HNNXBMFYSA-N 1 0 333.501 2.904 50 0 EFAARO CC[C@H](C[NH+](C)C)NC(=O)N1CCC(c2ccccc2OC)CC1 ZINC000534588895 478161299 /nfs/dbraw/zinc/16/12/99/478161299.db2.gz OABCBHVDKVGWRB-MRXNPFEDSA-N 1 0 333.476 2.924 50 0 EFAARO Cc1ccc(C)c(OCCCN(C)C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000534642239 478164666 /nfs/dbraw/zinc/16/46/66/478164666.db2.gz PUKSOFOHYFQAPM-QGZVFWFLSA-N 1 0 333.476 2.808 50 0 EFAARO C[C@H](CNC(=O)N1CCC(c2cccc(O)c2)CC1)[NH+]1CCCC1 ZINC000534650132 478166287 /nfs/dbraw/zinc/16/62/87/478166287.db2.gz PNHZFLGJBZJNTJ-OAHLLOKOSA-N 1 0 331.460 2.766 50 0 EFAARO CN(C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1)[C@H]1CC[N@H+](C)C1 ZINC000534670088 478168096 /nfs/dbraw/zinc/16/80/96/478168096.db2.gz MUWYKKBDVNZUBF-HNNXBMFYSA-N 1 0 344.846 2.760 50 0 EFAARO Cc1ccnc(C[C@@H](C)N(C)C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000534666140 478168450 /nfs/dbraw/zinc/16/84/50/478168450.db2.gz SUHUOBNZGXRHQA-MRXNPFEDSA-N 1 0 332.492 2.837 50 0 EFAARO CC[C@@H](CNC(=O)N(C)Cc1ccc2nonc2c1)[NH+]1CCCCC1 ZINC000534671548 478168931 /nfs/dbraw/zinc/16/89/31/478168931.db2.gz AZXAKFPPBNKNKC-HNNXBMFYSA-N 1 0 345.447 2.629 50 0 EFAARO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc(F)cc2F)CCCCC1 ZINC000540939541 478514683 /nfs/dbraw/zinc/51/46/83/478514683.db2.gz OACYRSVGKLICDD-UHFFFAOYSA-N 1 0 346.443 2.649 50 0 EFAARO C[C@@H](CCC(=O)N1CCC2(C1)CCCCCC2)[NH+]1CCN(C)CC1 ZINC000584885850 479271294 /nfs/dbraw/zinc/27/12/94/479271294.db2.gz SPFDBBOJELBAKE-SFHVURJKSA-N 1 0 335.536 2.975 50 0 EFAARO CC[C@H](NC(=O)C1CC[NH+](C2CCOCC2)CC1)c1ccncc1 ZINC000584893202 479274275 /nfs/dbraw/zinc/27/42/75/479274275.db2.gz FPXUWGOVELTYPN-SFHVURJKSA-N 1 0 331.460 2.540 50 0 EFAARO CC[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(O)cc1 ZINC000584896183 479274750 /nfs/dbraw/zinc/27/47/50/479274750.db2.gz ALXCJQUMBPACKP-GOSISDBHSA-N 1 0 340.427 2.770 50 0 EFAARO CCO[C@H]1C[N@H+](CC)C[C@@H]1n1cnc2c(C)cc(Cl)cc2c1=O ZINC000584899461 479275606 /nfs/dbraw/zinc/27/56/06/479275606.db2.gz TZRYKLQDDWRZFH-GJZGRUSLSA-N 1 0 335.835 2.640 50 0 EFAARO CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[C@H](c3nccn3C)C2)c1 ZINC000585135023 479295156 /nfs/dbraw/zinc/29/51/56/479295156.db2.gz UQAGXTJZHIJGMK-WMZOPIPTSA-N 1 0 340.471 2.986 50 0 EFAARO CCO/C=C/[C@@](O)(C[NH2+]Cc1cnc(C(C)(C)C)nc1)C(F)(F)F ZINC000585136206 479296359 /nfs/dbraw/zinc/29/63/59/479296359.db2.gz WAVDADCVTCQOQY-LQYUOIDQSA-N 1 0 347.381 2.707 50 0 EFAARO [NH3+]Cc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 ZINC000575598488 479448501 /nfs/dbraw/zinc/44/85/01/479448501.db2.gz GRRDUDJQILRRES-HNNXBMFYSA-N 1 0 335.450 2.827 50 0 in-vitro EFAARO CN(C)c1ccc(CN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cn1 ZINC000660803533 482153912 /nfs/dbraw/zinc/15/39/12/482153912.db2.gz MOVDUWPHLQKJRA-FQEVSTJZSA-N 1 0 337.423 2.758 50 0 EFAARO Cc1ccccc1NC(=O)[C@@H](C)N1CCC([NH+]2CCSCC2)CC1 ZINC000244858497 525256023 /nfs/dbraw/zinc/25/60/23/525256023.db2.gz VMFCYPOGAYRTLL-MRXNPFEDSA-N 1 0 347.528 2.835 50 0 EFAARO CC(C)CN(Cc1ccccn1)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000426563199 535059590 /nfs/dbraw/zinc/05/95/90/535059590.db2.gz GTDIQWPHJYHWIF-KRWDZBQOSA-N 1 0 332.492 2.980 50 0 EFAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccc(F)c(Cl)c1 ZINC000244742183 535480489 /nfs/dbraw/zinc/48/04/89/535480489.db2.gz ODDKEMWZGNKTRP-GFCCVEGCSA-N 1 0 328.815 2.849 50 0 EFAARO CC[NH+](CC)Cc1cc(C(=O)N2CCC(c3nnc[nH]3)CC2)c(C)o1 ZINC000218793632 535599841 /nfs/dbraw/zinc/59/98/41/535599841.db2.gz YUDJYZVKLKRFNR-UHFFFAOYSA-N 1 0 345.447 2.568 50 0 EFAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(-c2ccncc2C)cc1 ZINC000426381405 535635498 /nfs/dbraw/zinc/63/54/98/535635498.db2.gz GGFYGWCUUZATBV-OALUTQOASA-N 1 0 339.439 2.506 50 0 EFAARO CC[C@H](NC(=O)CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H](O)C1 ZINC000244741989 536155331 /nfs/dbraw/zinc/15/53/31/536155331.db2.gz OACVUOXODWYJKO-UFYCRDLUSA-N 1 0 344.499 2.954 50 0 EFAARO C[N@@H+]1CCC[C@H]1CCNC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000426429832 536390434 /nfs/dbraw/zinc/39/04/34/536390434.db2.gz PPBHJKBMTCCURI-SFHVURJKSA-N 1 0 345.487 2.862 50 0 EFAARO C[N@H+](C[C@@H]1CCN(c2ccccc2)C1)CC(C)(C)CN1CCOCC1 ZINC000215355862 536434026 /nfs/dbraw/zinc/43/40/26/536434026.db2.gz NMGGYXGSWRDELR-IBGZPJMESA-N 1 0 345.531 2.803 50 0 EFAARO COc1cccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1F ZINC000423493540 546217546 /nfs/dbraw/zinc/21/75/46/546217546.db2.gz BTZNTOHYDUOQEP-ZBFHGGJFSA-N 1 0 346.377 2.849 50 0 EFAARO COc1cccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)c1F ZINC000423493539 546217571 /nfs/dbraw/zinc/21/75/71/546217571.db2.gz BTZNTOHYDUOQEP-HOCLYGCPSA-N 1 0 346.377 2.849 50 0 EFAARO COc1cccc(N2CC[N@H+](Cc3ccc(CO)o3)CC2(C)C)c1 ZINC000670438218 547489175 /nfs/dbraw/zinc/48/91/75/547489175.db2.gz ZOZIJONASHRVMW-UHFFFAOYSA-N 1 0 330.428 2.881 50 0 EFAARO Cc1nn(C)cc1C[N@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000670444746 547489967 /nfs/dbraw/zinc/48/99/67/547489967.db2.gz VPXHLGOCSBCBHA-UHFFFAOYSA-N 1 0 334.851 2.520 50 0 EFAARO Cc1c(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)ccn1C ZINC000670444648 547490121 /nfs/dbraw/zinc/49/01/21/547490121.db2.gz VPZAKNOBAFUXJG-KRWDZBQOSA-N 1 0 325.456 2.861 50 0 EFAARO Fc1ccc(N2CCC([NH2+][C@@H]3CCc4c[nH]nc4C3)CC2)cc1F ZINC000670442211 547490764 /nfs/dbraw/zinc/49/07/64/547490764.db2.gz PYSMCYFIDBMVHR-CQSZACIVSA-N 1 0 332.398 2.804 50 0 EFAARO CNc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000670446585 547491522 /nfs/dbraw/zinc/49/15/22/547491522.db2.gz JRVLUXZDWJHGRP-NSHDSACASA-N 1 0 336.486 2.641 50 0 EFAARO O=C(CSc1ccccn1)NCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000670454423 547492577 /nfs/dbraw/zinc/49/25/77/547492577.db2.gz WRMMFLZANKURDR-QGZVFWFLSA-N 1 0 341.480 2.779 50 0 EFAARO Cc1ccc(-c2ccc(C(=O)NCC[N@@H+]3CCC[C@H](CO)C3)cc2)o1 ZINC000670456683 547493101 /nfs/dbraw/zinc/49/31/01/547493101.db2.gz BERLOAASJATOII-INIZCTEOSA-N 1 0 342.439 2.689 50 0 EFAARO O=C(N[C@@H](CO)c1ccc(F)cc1)C1([NH+]2CCCC2)CCCCC1 ZINC000670470007 547494758 /nfs/dbraw/zinc/49/47/58/547494758.db2.gz FJZXHOATKRXUHD-KRWDZBQOSA-N 1 0 334.435 2.774 50 0 EFAARO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C)c1ccncc1F ZINC000685940764 550196842 /nfs/dbraw/zinc/19/68/42/550196842.db2.gz HROCZWXHHATODY-LALPHHSUSA-N 1 0 333.411 2.507 50 0 EFAARO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C)c1ccncc1F ZINC000685940769 550197063 /nfs/dbraw/zinc/19/70/63/550197063.db2.gz HROCZWXHHATODY-YWPYICTPSA-N 1 0 333.411 2.507 50 0 EFAARO Cc1nccnc1C[N@H+]1C[C@H](c2nnc(C(C)C)[nH]2)[C@@H](C2CC2)C1 ZINC000685943175 550197280 /nfs/dbraw/zinc/19/72/80/550197280.db2.gz SKVNVZPNRPTUMJ-CABCVRRESA-N 1 0 326.448 2.652 50 0 EFAARO C[C@@H]1Cc2ccccc2CN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685941351 550197543 /nfs/dbraw/zinc/19/75/43/550197543.db2.gz AOWNOWOISHUSER-CQSZACIVSA-N 1 0 338.455 2.806 50 0 EFAARO C[NH+](C)C[C@@H]1COCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000823690018 1265415229 /nfs/dbraw/zinc/41/52/29/1265415229.db2.gz JWPLZDUGHXIXGN-HNNXBMFYSA-N 1 0 331.485 2.820 50 0 EFAARO Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@@H]3CCCN3C(=O)[C@@H]2C)c1 ZINC001772701789 1249285462 /nfs/dbraw/zinc/28/54/62/1249285462.db2.gz OPAGWVMQAMBKLL-RDJZCZTQSA-N 1 0 338.455 2.889 50 0 EFAARO CNCc1nnc(NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC001772703315 1249287188 /nfs/dbraw/zinc/28/71/88/1249287188.db2.gz WOWMNCSJIIVPAC-MRXNPFEDSA-N 1 0 329.448 2.646 50 0 EFAARO Clc1cnn(CCN2C[C@@H]3C[NH2+]C[C@@]3(CCc3ccccc3)C2)c1 ZINC001772705684 1249290167 /nfs/dbraw/zinc/29/01/67/1249290167.db2.gz ZFRHHNDDCRGDED-HKUYNNGSSA-N 1 0 344.890 2.691 50 0 EFAARO Cc1oc(-c2ccc(C)cc2)nc1C[N@@H+]1C[C@@H]2COCC[C@]2(CO)C1 ZINC001772705786 1249290711 /nfs/dbraw/zinc/29/07/11/1249290711.db2.gz NGGSGUMVLHAUFD-YLJYHZDGSA-N 1 0 342.439 2.789 50 0 EFAARO Cc1oc(-c2ccccc2F)nc1C[N@@H+]1C[C@@H]2COCC[C@]2(CO)C1 ZINC001772705049 1249291924 /nfs/dbraw/zinc/29/19/24/1249291924.db2.gz ONHOKVXGGJBKQF-AUUYWEPGSA-N 1 0 346.402 2.620 50 0 EFAARO CCCCOc1c(C[N@@H+]2C[C@@H]3COCC[C@]3(CO)C2)cccc1OC ZINC001772707472 1249292863 /nfs/dbraw/zinc/29/28/63/1249292863.db2.gz NUDUPDMWUQUVOM-YLJYHZDGSA-N 1 0 349.471 2.705 50 0 EFAARO CNCc1nnc(NC[C@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)o1 ZINC001772708566 1249296710 /nfs/dbraw/zinc/29/67/10/1249296710.db2.gz DLGBXZUQXWSNMT-QGZVFWFLSA-N 1 0 343.475 2.983 50 0 EFAARO Cc1oc(-c2ccc(F)cc2)nc1C[N@@H+]1C[C@@H]2COCC[C@]2(CO)C1 ZINC001772710823 1249298985 /nfs/dbraw/zinc/29/89/85/1249298985.db2.gz SJUKRTQDANEADP-DNVCBOLYSA-N 1 0 346.402 2.620 50 0 EFAARO Cc1nnsc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000823765121 1265427322 /nfs/dbraw/zinc/42/73/22/1265427322.db2.gz WPTHEIALCQVUAL-UHFFFAOYSA-N 1 0 332.429 2.572 50 0 EFAARO C[NH+]1CCC(Oc2ccc(NC(=O)Cc3cccnc3)cc2)CC1 ZINC000823764717 1265427631 /nfs/dbraw/zinc/42/76/31/1265427631.db2.gz ANBACWBQMMLZLQ-UHFFFAOYSA-N 1 0 325.412 2.736 50 0 EFAARO Cc1noc(C)c1CC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000823765048 1265427688 /nfs/dbraw/zinc/42/76/88/1265427688.db2.gz QWOGZFGGMWNNSJ-UHFFFAOYSA-N 1 0 343.427 2.946 50 0 EFAARO CSCCC(=O)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012304025 1265838938 /nfs/dbraw/zinc/83/89/38/1265838938.db2.gz SJNCQFFNQNJCIZ-SFHVURJKSA-N 1 0 347.528 2.895 50 0 EFAARO O=C(C[NH+]1CCCCC1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000012306785 1265848472 /nfs/dbraw/zinc/84/84/72/1265848472.db2.gz CEPUWSLAXGOCEW-UHFFFAOYSA-N 1 0 342.418 2.586 50 0 EFAARO Cc1cccc(-n2ccnc2C[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000012316604 1265905891 /nfs/dbraw/zinc/90/58/91/1265905891.db2.gz GELXFVVJIHTDSQ-KRWDZBQOSA-N 1 0 348.454 2.729 50 0 EFAARO O=C(CCC1CC[NH+]([C@@H]2CCSC2)CC1)NCc1cccnc1 ZINC000012318333 1265911492 /nfs/dbraw/zinc/91/14/92/1265911492.db2.gz XOEVVMQYYYHFKC-QGZVFWFLSA-N 1 0 333.501 2.696 50 0 EFAARO Cc1cccc(C[NH2+][C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)n1 ZINC000012318720 1265911984 /nfs/dbraw/zinc/91/19/84/1265911984.db2.gz OUYZTHRHZRFNTC-GOSISDBHSA-N 1 0 343.858 2.977 50 0 EFAARO O=C(NCC1CC[NH+]([C@H]2CCOC2)CC1)Nc1ccccc1Cl ZINC000618255224 1263286222 /nfs/dbraw/zinc/28/62/22/1263286222.db2.gz ABLOWHRTMYLKSP-AWEZNQCLSA-N 1 0 337.851 2.962 50 0 EFAARO O=C(N[C@H]1CCN(Cc2ccsc2)C1)c1ccc2nsnc2c1 ZINC000618256418 1263287351 /nfs/dbraw/zinc/28/73/51/1263287351.db2.gz HTAISYVQQVKEOT-ZDUSSCGKSA-N 1 0 344.465 2.757 50 0 EFAARO O=C(N[C@@H]1CC[N@H+](Cc2ccsc2)C1)[C@@H]1CCc2ccccc2O1 ZINC000618256206 1263287735 /nfs/dbraw/zinc/28/77/35/1263287735.db2.gz FHHWORCDPZIMMK-AEFFLSMTSA-N 1 0 342.464 2.832 50 0 EFAARO O=C(N[C@H]1CCN(Cc2ccsc2)C1)c1cnc2ccccc2n1 ZINC000618257373 1263288464 /nfs/dbraw/zinc/28/84/64/1263288464.db2.gz VEYDGOFBYUQQDV-AWEZNQCLSA-N 1 0 338.436 2.696 50 0 EFAARO COCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000011767544 1263779221 /nfs/dbraw/zinc/77/92/21/1263779221.db2.gz GMSIASVVOJYAJU-NRFANRHFSA-N 1 0 344.499 2.970 50 0 EFAARO COC(=O)CC[C@H](C)[N@@H+]1CCc2[nH]nc(-c3cccc(OC)c3)c2C1 ZINC000011819952 1264005853 /nfs/dbraw/zinc/00/58/53/1264005853.db2.gz KDMILPMEJAJJSX-ZDUSSCGKSA-N 1 0 343.427 2.785 50 0 EFAARO CC[N@@H+]1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000011874639 1264397987 /nfs/dbraw/zinc/39/79/87/1264397987.db2.gz GVHIPEQHPCFDKI-HXUWFJFHSA-N 1 0 343.515 2.843 50 0 EFAARO CN(C)c1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1cccn1-c1cccnc1 ZINC000011937203 1264649475 /nfs/dbraw/zinc/64/94/75/1264649475.db2.gz CVMHOMZETJPCIL-SFHVURJKSA-N 1 0 348.454 2.896 50 0 EFAARO CC(C)(O)Cn1ncnc1CC1CC[NH+](Cc2ccccc2)CC1 ZINC000821528993 1264974843 /nfs/dbraw/zinc/97/48/43/1264974843.db2.gz XPDADVSLESESGD-UHFFFAOYSA-N 1 0 328.460 2.504 50 0 EFAARO CCCc1ccc(C[NH+]2CCC(CNC(=O)c3cncn3C)CC2)o1 ZINC000823010903 1265193061 /nfs/dbraw/zinc/19/30/61/1265193061.db2.gz IEGJDLLQDFKAIR-UHFFFAOYSA-N 1 0 344.459 2.608 50 0 EFAARO COCC[NH+]1CCC(c2nnc(Cc3cccc(Cl)c3)[nH]2)CC1 ZINC000824413148 1266890158 /nfs/dbraw/zinc/89/01/58/1266890158.db2.gz KQEVMZXLRUASKZ-UHFFFAOYSA-N 1 0 334.851 2.875 50 0 EFAARO COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[NH+]1CCCCCC1)CC3 ZINC000824758608 1266939712 /nfs/dbraw/zinc/93/97/12/1266939712.db2.gz QCOWDYQXMWMRJD-UHFFFAOYSA-N 1 0 341.455 2.937 50 0 EFAARO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)nc(C)n1 ZINC000825264422 1267049468 /nfs/dbraw/zinc/04/94/68/1267049468.db2.gz GVPPMAZNPQTMGV-AWEZNQCLSA-N 1 0 330.457 2.549 50 0 EFAARO Cc1c[nH+]ccc1NCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000827641375 1267455385 /nfs/dbraw/zinc/45/53/85/1267455385.db2.gz CIXBMMANCJACIA-CQSZACIVSA-N 1 0 347.846 2.769 50 0 EFAARO C[C@@H](C(=O)N(C)CC[NH+]1CCCCCC1)n1cnc2ccccc21 ZINC000827654559 1267459814 /nfs/dbraw/zinc/45/98/14/1267459814.db2.gz SCRHZXUWRNZWDO-INIZCTEOSA-N 1 0 328.460 2.932 50 0 EFAARO O=C(CN1CCCCC1=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000828075059 1267581732 /nfs/dbraw/zinc/58/17/32/1267581732.db2.gz DSIPWMXWMDXVPH-UHFFFAOYSA-N 1 0 329.444 2.624 50 0 EFAARO Cc1cc(C)cc(N2CCC([NH2+]CCN3CCCC[C@@H]3CO)CC2)c1 ZINC000828710780 1267884953 /nfs/dbraw/zinc/88/49/53/1267884953.db2.gz CWURADNZWRJSMX-HXUWFJFHSA-N 1 0 345.531 2.709 50 0 EFAARO Cc1ccccc1CN1CC[N@@H+](C2CCSCC2)C[C@H]1CCO ZINC000828747635 1267906304 /nfs/dbraw/zinc/90/63/04/1267906304.db2.gz RVLQUATZQNWYKU-LJQANCHMSA-N 1 0 334.529 2.759 50 0 EFAARO O=C(c1c[nH]cn1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012433633 1268309078 /nfs/dbraw/zinc/30/90/78/1268309078.db2.gz KACXPQAEDYZZFY-HXUWFJFHSA-N 1 0 338.455 2.581 50 0 EFAARO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)nc(C)n1 ZINC000012439944 1268388983 /nfs/dbraw/zinc/38/89/83/1268388983.db2.gz CVQDPLLKLNTWJB-SFHVURJKSA-N 1 0 338.455 2.530 50 0 EFAARO Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(CC(C)(C)C)C3=O)n1C ZINC000012444480 1268430697 /nfs/dbraw/zinc/43/06/97/1268430697.db2.gz URFXDZGFHVDBBZ-IBGZPJMESA-N 1 0 332.492 2.589 50 0 EFAARO CN(CCC(=O)Nc1cccnc1)Cc1noc(-c2ccccc2)n1 ZINC000065408482 1271357255 /nfs/dbraw/zinc/35/72/55/1271357255.db2.gz PVQBVDNNDZRVFO-UHFFFAOYSA-N 1 0 337.383 2.592 50 0 EFAARO O=C([O-])[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc(Oc3ccccc3)c1)C2 ZINC000065423220 1271679487 /nfs/dbraw/zinc/67/94/87/1271679487.db2.gz DNGKLOKNDQIIFX-JXFKEZNVSA-N 1 0 338.407 2.585 50 0 EFAARO O=c1ccc(C2CC2)nn1CC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000585503238 1281872492 /nfs/dbraw/zinc/87/24/92/1281872492.db2.gz ALNROFSPQNAESF-UHFFFAOYSA-N 1 0 345.487 2.528 50 0 EFAARO CC(C)C[NH+]1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1 ZINC000585500858 1281872991 /nfs/dbraw/zinc/87/29/91/1281872991.db2.gz RGZWUXSFCSKOHB-UHFFFAOYSA-N 1 0 326.444 2.673 50 0 EFAARO CN(C)c1cncc(C[C@@H]2CC[C@H](C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)O2)n1 ZINC000952854527 1284871043 /nfs/dbraw/zinc/87/10/43/1284871043.db2.gz CVIRJSMGAZMJIS-OGWHTMIXSA-N 1 0 342.487 2.531 50 0 EFAARO CN(C)c1ccc(C[C@@H]2CC[C@H](C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)O2)nn1 ZINC000952854433 1284871836 /nfs/dbraw/zinc/87/18/36/1284871836.db2.gz GXVSNYYGGBBOKI-OGWHTMIXSA-N 1 0 342.487 2.531 50 0 EFAARO COc1cccc2c1OCC(C[NH2+]CCCn1nc(C)cc1C)=C2 ZINC000952872047 1284895788 /nfs/dbraw/zinc/89/57/88/1284895788.db2.gz IOAXYFMPLPLSKV-UHFFFAOYSA-N 1 0 327.428 2.964 50 0 EFAARO [NH3+][C@@H](CC(=O)Nc1ccc(CC(=O)NC2CC2)cc1)c1ccccc1 ZINC000952865796 1284909863 /nfs/dbraw/zinc/90/98/63/1284909863.db2.gz XMYXICJWPYGFPR-SFHVURJKSA-N 1 0 337.423 2.536 50 0 EFAARO Cc1ccc([C@H](O)CNC(=O)C2([NH+]3CCCC3)CCCCC2)cc1 ZINC000952867109 1284911225 /nfs/dbraw/zinc/91/12/25/1284911225.db2.gz IVDZDCYHSQRTNR-GOSISDBHSA-N 1 0 330.472 2.943 50 0 EFAARO O=C([C@H]1CCCc2c3ccccc3[nH]c21)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000952962402 1284918192 /nfs/dbraw/zinc/91/81/92/1284918192.db2.gz BIOFWZJJQKWKDV-MQOOWTBDSA-N 1 0 335.451 2.797 50 0 EFAARO OC[C@@H]1CCCN(CC[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000952963970 1284923074 /nfs/dbraw/zinc/92/30/74/1284923074.db2.gz LVPKQJBLNSUDOV-GOSISDBHSA-N 1 0 332.488 2.802 50 0 EFAARO CCc1nccn1CCC[NH2+]CC1=Cc2cc(OC)ccc2OC1 ZINC000952963967 1284923596 /nfs/dbraw/zinc/92/35/96/1284923596.db2.gz KHQPDPFMNHSNSX-UHFFFAOYSA-N 1 0 327.428 2.910 50 0 EFAARO CSCC[C@@H](CO)[NH2+]C1CCN(c2ccc(F)cc2C)CC1 ZINC000952965318 1284924906 /nfs/dbraw/zinc/92/49/06/1284924906.db2.gz OJRGATSFSXSHRM-INIZCTEOSA-N 1 0 326.481 2.807 50 0 EFAARO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 ZINC000952965774 1284925932 /nfs/dbraw/zinc/92/59/32/1284925932.db2.gz RVRYLJYBFQDERH-SFHVURJKSA-N 1 0 343.471 2.711 50 0 EFAARO CCN1CCN(Cc2cc3ccc(SC)cc3[nH]c2=O)[C@H](C)C1=O ZINC000952970009 1284934911 /nfs/dbraw/zinc/93/49/11/1284934911.db2.gz BLNTTXADDGMAAO-GFCCVEGCSA-N 1 0 345.468 2.715 50 0 EFAARO Clc1ccc(C[NH2+]C23C[C@H]4C[C@@H](C2)CC(n2ncnn2)(C4)C3)o1 ZINC000952969400 1284935398 /nfs/dbraw/zinc/93/53/98/1284935398.db2.gz MZNWZTITBBBRAL-RJAIZQQDSA-N 1 0 333.823 2.757 50 0 EFAARO C[C@H](C[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc2c(c1)OCO2 ZINC000952972941 1284945382 /nfs/dbraw/zinc/94/53/82/1284945382.db2.gz HMCQIQZNACWYBI-LBPRGKRZSA-N 1 0 339.395 2.966 50 0 EFAARO CCNC(=O)c1cc(NC(=O)C[N@H+](C)C2CCCC2)ccc1Cl ZINC000952974102 1284948818 /nfs/dbraw/zinc/94/88/18/1284948818.db2.gz ZEJLBSAPRNRUSS-UHFFFAOYSA-N 1 0 337.851 2.903 50 0 EFAARO CC1=C(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)OCCO1 ZINC000952977003 1284952198 /nfs/dbraw/zinc/95/21/98/1284952198.db2.gz ZCYGFIJZJCWYHR-GOSISDBHSA-N 1 0 344.455 2.998 50 0 EFAARO C[C@@H](C[N@H+](C)Cc1ccc(-c2ccccn2)cc1)N1CCOCC1 ZINC000952978309 1284955425 /nfs/dbraw/zinc/95/54/25/1284955425.db2.gz DVZGFBZQEPZNDT-KRWDZBQOSA-N 1 0 325.456 2.901 50 0 EFAARO CCNC(=O)c1cc(NC(=O)[C@@H]2CCCCC[N@@H+]2C)ccc1Cl ZINC000952980157 1284958953 /nfs/dbraw/zinc/95/89/53/1284958953.db2.gz YGEYOHVIPDWMRL-HNNXBMFYSA-N 1 0 337.851 2.903 50 0 EFAARO CCNC(=O)c1cc(NC(=O)[C@H]2CCCCC[N@@H+]2C)ccc1Cl ZINC000952980159 1284959299 /nfs/dbraw/zinc/95/92/99/1284959299.db2.gz YGEYOHVIPDWMRL-OAHLLOKOSA-N 1 0 337.851 2.903 50 0 EFAARO CC(C)c1csc(C[NH2+]C[C@@H](c2ccccn2)N2CCOCC2)n1 ZINC000952967666 1284962136 /nfs/dbraw/zinc/96/21/36/1284962136.db2.gz LQEQIRSDOUWENC-KRWDZBQOSA-N 1 0 346.500 2.825 50 0 EFAARO CC[NH+]1CCN(CC(=O)N(C)CCCSc2ccc(C)cc2)CC1 ZINC000952981243 1284976381 /nfs/dbraw/zinc/97/63/81/1284976381.db2.gz LCQJOKORHPGMPT-UHFFFAOYSA-N 1 0 349.544 2.573 50 0 EFAARO Cc1ccc(N2CCC([NH+]3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000952982920 1284979216 /nfs/dbraw/zinc/97/92/16/1284979216.db2.gz HQOQLXIZTHCXSA-UHFFFAOYSA-N 1 0 337.471 2.576 50 0 EFAARO CO[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000952985832 1284985399 /nfs/dbraw/zinc/98/53/99/1284985399.db2.gz HQVUNIGKBNXGLU-ZWKOTPCHSA-N 1 0 328.387 2.599 50 0 EFAARO C[C@@H](C[N@H+](C)Cc1ccc(-c2cccnc2)cc1)N1CCOCC1 ZINC000952987354 1284988217 /nfs/dbraw/zinc/98/82/17/1284988217.db2.gz HFLKGWMWXRASGH-KRWDZBQOSA-N 1 0 325.456 2.901 50 0 EFAARO COc1ccccc1Cc1nc([C@@H]2CCC[NH2+]C2)n(-c2cccnc2)n1 ZINC000952988152 1284989952 /nfs/dbraw/zinc/98/99/52/1284989952.db2.gz OILXPPNJCNWMLN-MRXNPFEDSA-N 1 0 349.438 2.729 50 0 EFAARO COc1ccc(-n2ccnc2C[NH2+]CCc2c(C)n[nH]c2C)cc1 ZINC000952988139 1284990129 /nfs/dbraw/zinc/99/01/29/1284990129.db2.gz BJOYMSAAIMQTLV-UHFFFAOYSA-N 1 0 325.416 2.553 50 0 EFAARO CN(Cc1cccc(O)c1)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000952989905 1284995752 /nfs/dbraw/zinc/99/57/52/1284995752.db2.gz DTYJGUZDDDLGFX-UHFFFAOYSA-N 1 0 328.412 2.856 50 0 EFAARO COCCc1ncc(C[N@@H+]2CCC[C@](CO)(CC=C(C)C)C2)cn1 ZINC000092066499 1290636230 /nfs/dbraw/zinc/63/62/30/1290636230.db2.gz ULNSPIMGRWUHDS-IBGZPJMESA-N 1 0 333.476 2.596 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N2CCC(Oc3cccnc3)CC2)CC1 ZINC000095368306 1292080143 /nfs/dbraw/zinc/08/01/43/1292080143.db2.gz DIIYYFVZRYTCDZ-UHFFFAOYSA-N 1 0 331.460 2.572 50 0 EFAARO CCn1ccnc1CN(C)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095388705 1292103067 /nfs/dbraw/zinc/10/30/67/1292103067.db2.gz SXTFHFBTXIPUIS-UHFFFAOYSA-N 1 0 332.492 2.906 50 0 EFAARO CN1C[C@@H]([NH3+])C[C@H]1c1nc(C2CCCC2)nn1CCc1ccccc1 ZINC000096150564 1292779410 /nfs/dbraw/zinc/77/94/10/1292779410.db2.gz OKBADVIZUQWTRG-ROUUACIJSA-N 1 0 339.487 2.882 50 0 EFAARO O=C1Nc2ccccc2C12CC[NH+](Cc1ccn3nccc3c1)CC2 ZINC001237536617 1313662311 /nfs/dbraw/zinc/66/23/11/1313662311.db2.gz AAFAHWURHNUAPZ-UHFFFAOYSA-N 1 0 332.407 2.820 50 0 EFAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3ccc(SC)cc3)C2)C1=O ZINC000012708294 1307063693 /nfs/dbraw/zinc/06/36/93/1307063693.db2.gz VGHNRXGIIWLPOK-IBGZPJMESA-N 1 0 348.512 2.869 50 0 EFAARO CC(C)CN1C(=O)N(C)C2(CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000014535710 1311157951 /nfs/dbraw/zinc/15/79/51/1311157951.db2.gz AYEIGWFXJWEXHX-UHFFFAOYSA-N 1 0 343.471 2.614 50 0 EFAARO CC(C)CN1C[C@@H](OCc2ccncc2)C[N@@H+](C2CCCC2)CC1=O ZINC000014743390 1311231940 /nfs/dbraw/zinc/23/19/40/1311231940.db2.gz AZKXDABSBVHDAJ-IBGZPJMESA-N 1 0 345.487 2.710 50 0 EFAARO CC(C)(O)C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000014948147 1311402115 /nfs/dbraw/zinc/40/21/15/1311402115.db2.gz JGUWMQFWGYPLON-OAQYLSRUSA-N 1 0 344.499 2.705 50 0 EFAARO CC(=O)c1cc(CN2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)cs1 ZINC000015069068 1311466554 /nfs/dbraw/zinc/46/65/54/1311466554.db2.gz JHQSIMRRELCNFA-IAGOWNOFSA-N 1 0 336.501 2.762 50 0 EFAARO COc1ccccc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001016194844 1312647728 /nfs/dbraw/zinc/64/77/28/1312647728.db2.gz NKPMTMBGJYJHRN-MRXNPFEDSA-N 1 0 330.453 2.690 50 0 EFAARO CC(C)Cc1noc(-c2ccc(N3CC[NH+](CC4CC4)CC3)nc2)n1 ZINC000020774180 1314718460 /nfs/dbraw/zinc/71/84/60/1314718460.db2.gz UUSTVIODWWUVEX-UHFFFAOYSA-N 1 0 341.459 2.862 50 0 EFAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1C ZINC000020996436 1314755758 /nfs/dbraw/zinc/75/57/58/1314755758.db2.gz JUCFLXFQKVHNEJ-QGZVFWFLSA-N 1 0 326.444 2.805 50 0 EFAARO CN1CC[N@H+](C)CC12CC[NH+](Cc1ccc([C@@H]3CCCO3)s1)CC2 ZINC000067676336 1316065251 /nfs/dbraw/zinc/06/52/51/1316065251.db2.gz FMGVUHHHIWOTJG-KRWDZBQOSA-N 1 0 349.544 2.811 50 0 EFAARO Cc1cc(C)c2[nH+]ccc(N3CC[C@H]4[NH2+]CCC[C@]4(C(=O)[O-])C3)c2c1 ZINC000072153773 1316227475 /nfs/dbraw/zinc/22/74/75/1316227475.db2.gz ZFINHGHOCWHNSE-XLIONFOSSA-N 1 0 339.439 2.885 50 0 EFAARO O=C1CC[N@H+](C[C@@H]2CCOC2)CCN1CCCCc1ccccc1 ZINC001506401264 1405750845 /nfs/dbraw/zinc/75/08/45/1405750845.db2.gz PVDMDFRYBHNPMX-IBGZPJMESA-N 1 0 330.472 2.580 50 0 EFAARO Cc1ccc(N2CCC([NH2+]Cc3nnc4n3CCC4)CC2)cc1Cl ZINC001506399289 1405751128 /nfs/dbraw/zinc/75/11/28/1405751128.db2.gz MADDGTKSQWRMMA-UHFFFAOYSA-N 1 0 345.878 2.945 50 0 EFAARO C[N@H+](Cc1cnc2ccccc2n1)[C@H]1CCC(=O)N(CC2CC2)CC1 ZINC001506402378 1405751937 /nfs/dbraw/zinc/75/19/37/1405751937.db2.gz QTJCIKRKUFIEET-KRWDZBQOSA-N 1 0 338.455 2.853 50 0 EFAARO O=C1C[C@@H]([NH2+]C2CSCCSC2)CN1c1cccc(Cl)c1 ZINC001506402951 1405751951 /nfs/dbraw/zinc/75/19/51/1405751951.db2.gz LEDYSDNOACHMHF-GFCCVEGCSA-N 1 0 342.917 2.884 50 0 EFAARO C[N@H+](Cc1cnc2ccccc2n1)[C@@H]1CCC(=O)N(CC2CC2)CC1 ZINC001506402380 1405752065 /nfs/dbraw/zinc/75/20/65/1405752065.db2.gz QTJCIKRKUFIEET-QGZVFWFLSA-N 1 0 338.455 2.853 50 0 EFAARO CC[NH+](CC)CC1(NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC001506404523 1405752780 /nfs/dbraw/zinc/75/27/80/1405752780.db2.gz DZGVSLSHEIYKSQ-UHFFFAOYSA-N 1 0 346.880 2.501 50 0 EFAARO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2F)CC1 ZINC001506407324 1405754069 /nfs/dbraw/zinc/75/40/69/1405754069.db2.gz QPLQWSLUWBSEDU-AWEZNQCLSA-N 1 0 348.871 2.725 50 0 EFAARO CSCC[NH+]1CCN(Cc2cnn(-c3ccc(C)c(C)c3)c2)CC1 ZINC001506407867 1405755510 /nfs/dbraw/zinc/75/55/10/1405755510.db2.gz SMYGDZVGQNCXOJ-UHFFFAOYSA-N 1 0 344.528 2.970 50 0 EFAARO Cc1noc(C)c1CCC[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC001506411754 1405757097 /nfs/dbraw/zinc/75/70/97/1405757097.db2.gz KUBXEFWYMBKIAJ-UHFFFAOYSA-N 1 0 342.443 2.513 50 0 EFAARO Cc1ccc(C2(O)CC[NH+]([C@@H]3CCN(c4ccccc4)C3)CC2)nc1 ZINC001506417796 1405759727 /nfs/dbraw/zinc/75/97/27/1405759727.db2.gz LFQAGZUKABCSLQ-LJQANCHMSA-N 1 0 337.467 2.952 50 0 EFAARO Cc1ccc(N2CCC([NH+]3CCC4(CNC(=O)O4)CC3)CC2)cc1 ZINC001506420696 1405760787 /nfs/dbraw/zinc/76/07/87/1405760787.db2.gz ADDWKEBXCPIRFH-UHFFFAOYSA-N 1 0 329.444 2.538 50 0 EFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCc2noc(-c3ccccc3)n2)n1 ZINC001506418846 1405761412 /nfs/dbraw/zinc/76/14/12/1405761412.db2.gz UEWDMDXCEVSWQR-CQSZACIVSA-N 1 0 325.416 2.771 50 0 EFAARO Cc1nc(C(=O)NC[C@H]2CCCN(c3cc[nH+]c(C)c3)C2)cs1 ZINC001506422612 1405762237 /nfs/dbraw/zinc/76/22/37/1405762237.db2.gz DIMQXGWHFXCEOB-CQSZACIVSA-N 1 0 330.457 2.801 50 0 EFAARO Nc1nc(CCC[NH2+]Cc2cc(F)ccc2-n2cccn2)cs1 ZINC001506422653 1405762239 /nfs/dbraw/zinc/76/22/39/1405762239.db2.gz FLZQIIYSENTLMZ-UHFFFAOYSA-N 1 0 331.420 2.773 50 0 EFAARO COc1ccc2c(C)cc(NCCC[N@@H+]3CCC[C@@H](O)C3)nc2c1 ZINC001506426874 1405764022 /nfs/dbraw/zinc/76/40/22/1405764022.db2.gz JVBWAHJIXCGILB-OAHLLOKOSA-N 1 0 329.444 2.811 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)NCc2cccs2)CC1 ZINC001506428155 1405765894 /nfs/dbraw/zinc/76/58/94/1405765894.db2.gz XNSGTFNBALSMRJ-UHFFFAOYSA-N 1 0 330.457 2.873 50 0 EFAARO C[NH+]1CCC(n2nccc2NC(=O)c2nccc3ccccc32)CC1 ZINC001506430045 1405767091 /nfs/dbraw/zinc/76/70/91/1405767091.db2.gz XAPKJVXFHRZCSL-UHFFFAOYSA-N 1 0 335.411 2.950 50 0 EFAARO C[N@@H+]1CCC[C@]2(CO)CCN(Cc3ccc(F)c(Cl)c3)C[C@@H]12 ZINC001704297927 1417900379 /nfs/dbraw/zinc/90/03/79/1417900379.db2.gz AUAANWDTRGQABJ-IAGOWNOFSA-N 1 0 326.843 2.758 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)c1ccc(F)cc1Cl ZINC001704312004 1417904218 /nfs/dbraw/zinc/90/42/18/1417904218.db2.gz JCBPVKZJGWZQGO-UHFFFAOYSA-N 1 0 338.814 2.715 50 0 EFAARO Cc1cc(C)cc(CCC(=O)N(CC[NH+](C)C)Cc2c[nH]cn2)c1 ZINC001704314295 1417905140 /nfs/dbraw/zinc/90/51/40/1417905140.db2.gz XPGSSQNZSAIELE-UHFFFAOYSA-N 1 0 328.460 2.550 50 0 EFAARO CC(C)c1ccc(CC(=O)N(CC[NH+](C)C)Cc2c[nH]cn2)cc1 ZINC001704312586 1417905182 /nfs/dbraw/zinc/90/51/82/1417905182.db2.gz GBFHUVBHJUQFDE-UHFFFAOYSA-N 1 0 328.460 2.666 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)Cc1ccc(OC(F)F)cc1 ZINC001704336532 1417910596 /nfs/dbraw/zinc/91/05/96/1417910596.db2.gz XJTXGWNMHWHUSY-UHFFFAOYSA-N 1 0 338.402 2.883 50 0 EFAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2nnc(-c3cccnc3)o2)c1 ZINC001704350985 1417914649 /nfs/dbraw/zinc/91/46/49/1417914649.db2.gz KVAAQXICEYDKGZ-INIZCTEOSA-N 1 0 338.415 2.773 50 0 EFAARO Cc1c[nH]c(C[NH+]2CCC(OCc3ccccn3)CC2)c(C)c1=O ZINC001704349913 1417914661 /nfs/dbraw/zinc/91/46/61/1417914661.db2.gz LIFNYNWXDOAPHR-UHFFFAOYSA-N 1 0 327.428 2.568 50 0 EFAARO C[NH+](C)Cc1csc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)c1 ZINC000091893401 714565574 /nfs/dbraw/zinc/56/55/74/714565574.db2.gz RGSILPCJRJDQIR-HZPDHXFCSA-N 1 0 345.468 2.505 50 0 EFAARO O=C(CCC[NH+]1CCCCC1)N1CCC(Oc2cccnc2)CC1 ZINC000095365654 717487265 /nfs/dbraw/zinc/48/72/65/717487265.db2.gz QXUQNWADMGPLGA-UHFFFAOYSA-N 1 0 331.460 2.718 50 0 EFAARO O=C(Cc1ccsc1)N1CCC[N@@H+](C[C@@H](O)c2ccccc2)CC1 ZINC000980653786 717545322 /nfs/dbraw/zinc/54/53/22/717545322.db2.gz CVUGXPKCXFOGGL-GOSISDBHSA-N 1 0 344.480 2.559 50 0 EFAARO O=C1CCCCCCCN1[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023232410 717747890 /nfs/dbraw/zinc/74/78/90/717747890.db2.gz UNNQTBXWYAWHDG-UXHICEINSA-N 1 0 342.483 2.906 50 0 EFAARO [NH3+]Cc1cc(F)c(Br)c(I)c1 ZINC000169797858 718900790 /nfs/dbraw/zinc/90/07/90/718900790.db2.gz XSHMCCSPKRJPNG-UHFFFAOYSA-N 1 0 329.938 2.652 50 0 EFAARO Cn1cc(CN(C(=O)c2ccc([C@H]3CCC[NH2+]3)s2)C2CC2)cn1 ZINC000019745435 719398600 /nfs/dbraw/zinc/39/86/00/719398600.db2.gz UZIQFZVAISBJLL-CQSZACIVSA-N 1 0 330.457 2.711 50 0 EFAARO O=c1c2ccncc2ncn1CC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032587189 725687246 /nfs/dbraw/zinc/68/72/46/725687246.db2.gz QERBALHOTYXIPI-MRXNPFEDSA-N 1 0 326.444 2.979 50 0 EFAARO O=C(c1ccc(F)cc1Cl)N1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000989598962 1106475516 /nfs/dbraw/zinc/47/55/16/1106475516.db2.gz CWLMGPGIEYKHIB-ZDUSSCGKSA-N 1 0 340.826 2.664 50 0 EFAARO COC[C@H](C)[N@@H+]1CCCN(C(=O)Cc2ccc3ccccc3c2)CC1 ZINC000989634198 1106496874 /nfs/dbraw/zinc/49/68/74/1106496874.db2.gz VWUDXWKLFFPSKA-KRWDZBQOSA-N 1 0 340.467 2.952 50 0 EFAARO CC1CC[NH+](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000004745400 210267833 /nfs/dbraw/zinc/26/78/33/210267833.db2.gz CCWHFSXFOUWOGR-UHFFFAOYSA-N 1 0 340.464 2.711 50 0 EFAARO COc1ccc(C[N@H+](C)C2CCSCC2)cc1Cn1cncn1 ZINC000097618959 219042168 /nfs/dbraw/zinc/04/21/68/219042168.db2.gz FDJBTCAPLYRJSH-UHFFFAOYSA-N 1 0 332.473 2.662 50 0 EFAARO CC[NH+](CC)CCCNC(=O)c1nnn(-c2cccc(Cl)c2)c1C ZINC000051317693 214087975 /nfs/dbraw/zinc/08/79/75/214087975.db2.gz XFTNTCPBCWUENL-UHFFFAOYSA-N 1 0 349.866 2.691 50 0 EFAARO Cn1ccnc1C1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC000097637927 219043168 /nfs/dbraw/zinc/04/31/68/219043168.db2.gz MIFCHQLGHCASOW-UHFFFAOYSA-N 1 0 342.443 2.629 50 0 EFAARO CN1CCN([C@@H]2CC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)CC1 ZINC000097654207 219044384 /nfs/dbraw/zinc/04/43/84/219044384.db2.gz NGVGAAZIMVEXFW-LJQANCHMSA-N 1 0 343.515 2.830 50 0 EFAARO O=C(COc1ccc(Br)cc1)OCC[NH+]1CCCCC1 ZINC000004723164 210260450 /nfs/dbraw/zinc/26/04/50/210260450.db2.gz HGJZZUXHUQIDQJ-UHFFFAOYSA-N 1 0 342.233 2.857 50 0 EFAARO COC(=O)[C@H]1CC2(CCN(Cc3ccccc3)CC2)[N@@H+]2CCC[C@H]12 ZINC000004722435 210259563 /nfs/dbraw/zinc/25/95/63/210259563.db2.gz VEWGPGAAIZSOKU-ZWKOTPCHSA-N 1 0 328.456 2.679 50 0 EFAARO CCc1ccc2oc(=O)cc(C[NH+]3CCC4(CC3)OCCO4)c2c1 ZINC000054219986 214225299 /nfs/dbraw/zinc/22/52/99/214225299.db2.gz YHLCCQHFWTVUQJ-UHFFFAOYSA-N 1 0 329.396 2.694 50 0 biogenic,in-vitro EFAARO O=C(NCc1cccc(-c2ccccc2)c1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000097730182 219052587 /nfs/dbraw/zinc/05/25/87/219052587.db2.gz YWMFUZSYMQEOJO-HXUWFJFHSA-N 1 0 338.451 2.674 50 0 EFAARO C[NH+](C)CCN(CCn1c(=O)oc2ccccc21)Cc1ccsc1 ZINC000055099181 214271773 /nfs/dbraw/zinc/27/17/73/214271773.db2.gz JFMULILGJSVQHJ-UHFFFAOYSA-N 1 0 345.468 2.720 50 0 EFAARO O[C@]1(c2ccccc2)CC[N@H+](Cc2cnc(N3CCCC3)s2)C1 ZINC000097744779 219054001 /nfs/dbraw/zinc/05/40/01/219054001.db2.gz KRJUDMVQHFBWFE-GOSISDBHSA-N 1 0 329.469 2.837 50 0 EFAARO COCC[N@H+](Cc1cc(C)c(OC(C)=O)c(C)c1)C1CCN(C)CC1 ZINC000055131391 214277626 /nfs/dbraw/zinc/27/76/26/214277626.db2.gz BDYYZEPBZFPPRZ-UHFFFAOYSA-N 1 0 348.487 2.771 50 0 EFAARO COC(=O)c1cccc(C[N@H+](C)CCOc2ccc(C)cc2C)n1 ZINC000055183147 214285676 /nfs/dbraw/zinc/28/56/76/214285676.db2.gz KGIMVSMBHAYGCR-UHFFFAOYSA-N 1 0 328.412 2.996 50 0 EFAARO O=C(C[NH2+]Cc1cccnc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000055207909 214288107 /nfs/dbraw/zinc/28/81/07/214288107.db2.gz GTYSKHSCJCGPNU-UHFFFAOYSA-N 1 0 325.290 2.709 50 0 EFAARO Cc1nc2c(ncnc2N(CC[NH+](C)C)Cc2ccccc2C)o1 ZINC000055211435 214288840 /nfs/dbraw/zinc/28/88/40/214288840.db2.gz NFXCQLLSTBAXIU-UHFFFAOYSA-N 1 0 325.416 2.803 50 0 EFAARO Cc1c(NCc2cccnc2)cccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000055310135 214305843 /nfs/dbraw/zinc/30/58/43/214305843.db2.gz OCTVIGDGGYPJEZ-KRWDZBQOSA-N 1 0 338.455 2.778 50 0 EFAARO CCOc1ccc(CN(CCOC)C(=O)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000055393199 214316789 /nfs/dbraw/zinc/31/67/89/214316789.db2.gz URNSRUBBXPAGDX-GOSISDBHSA-N 1 0 348.487 2.791 50 0 EFAARO c1cncc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCOC2)c1 ZINC000055393650 214318645 /nfs/dbraw/zinc/31/86/45/214318645.db2.gz FWPKIZDRKFYXPZ-QGZVFWFLSA-N 1 0 326.396 2.849 50 0 EFAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cnc3ccccn32)s1 ZINC000055413342 214321516 /nfs/dbraw/zinc/32/15/16/214321516.db2.gz RRBTWNPPYMRJJM-UHFFFAOYSA-N 1 0 342.468 2.908 50 0 EFAARO COCC[N@@H+]1CC[C@@H](C(=O)NCc2ccc(-c3ccccc3)cc2)C1 ZINC000097785339 219057464 /nfs/dbraw/zinc/05/74/64/219057464.db2.gz YQUKZZQMGZSIFN-HXUWFJFHSA-N 1 0 338.451 2.938 50 0 EFAARO CCOCCOc1cccc(NC(=O)NC[C@H]2CCCCC[NH2+]2)c1 ZINC000097823475 219058788 /nfs/dbraw/zinc/05/87/88/219058788.db2.gz YTRFMHLRDWZTCR-MRXNPFEDSA-N 1 0 335.448 2.756 50 0 EFAARO CCOCCOc1cccc(NC(=O)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC000097823471 219059003 /nfs/dbraw/zinc/05/90/03/219059003.db2.gz YTRFMHLRDWZTCR-INIZCTEOSA-N 1 0 335.448 2.756 50 0 EFAARO C[NH+]1CCC(c2nnc(C3CCOCC3)[nH]2)(c2ccccc2)CC1 ZINC000097823240 219059042 /nfs/dbraw/zinc/05/90/42/219059042.db2.gz YEFLKNCVYRSKIZ-UHFFFAOYSA-N 1 0 326.444 2.710 50 0 EFAARO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000056908344 214395553 /nfs/dbraw/zinc/39/55/53/214395553.db2.gz MUEFBFDNRPCKBY-LBPRGKRZSA-N 1 0 346.349 2.882 50 0 EFAARO COc1ccccc1C(=O)NC1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000098211940 219087610 /nfs/dbraw/zinc/08/76/10/219087610.db2.gz PPNUZQLEYWKMCU-UHFFFAOYSA-N 1 0 343.427 2.694 50 0 EFAARO O=C(NCC[NH2+]C1CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000004498181 210204441 /nfs/dbraw/zinc/20/44/41/210204441.db2.gz PGJASAYGTAHNBI-UHFFFAOYSA-N 1 0 343.496 2.732 50 0 EFAARO COc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCC(N)=O ZINC000004488516 210201577 /nfs/dbraw/zinc/20/15/77/210201577.db2.gz AQBAXMLDAXFBHN-UHFFFAOYSA-N 1 0 340.832 2.564 50 0 EFAARO O=C(CC[NH+]1CCC(c2cccc(O)c2)CC1)Nc1cccnc1 ZINC000065380850 214881422 /nfs/dbraw/zinc/88/14/22/214881422.db2.gz AYAWQCJPQYWMOJ-UHFFFAOYSA-N 1 0 325.412 2.995 50 0 EFAARO NC(=O)c1ccc(NC(=O)CC[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000065408087 214899374 /nfs/dbraw/zinc/89/93/74/214899374.db2.gz XJZJXAFECJIQTJ-SFHVURJKSA-N 1 0 337.423 2.781 50 0 EFAARO Cc1ccc(-n2nc(C3CC3)nc2CN2CC[C@@H]([NH+](C)C)C2)cc1C ZINC000065431742 214907228 /nfs/dbraw/zinc/90/72/28/214907228.db2.gz PZPZGRGFOWINSC-GOSISDBHSA-N 1 0 339.487 2.897 50 0 EFAARO Cc1sc2nc(CC[NH3+])nc(NCCc3ccncc3)c2c1C ZINC000065453091 214914312 /nfs/dbraw/zinc/91/43/12/214914312.db2.gz MGTLENRFEXVXTH-UHFFFAOYSA-N 1 0 327.457 2.859 50 0 EFAARO CC(C)Cc1noc([C@H](C)Nc2nc(CC[NH3+])nc3ccccc32)n1 ZINC000065455867 214915450 /nfs/dbraw/zinc/91/54/50/214915450.db2.gz XGNKTWLFJITFCV-LBPRGKRZSA-N 1 0 340.431 2.886 50 0 EFAARO CCc1c(C)nn(CCNc2nc(CC[NH3+])nc3ccccc32)c1C ZINC000065467988 214923133 /nfs/dbraw/zinc/92/31/33/214923133.db2.gz YPTBVVMUMUIYCI-UHFFFAOYSA-N 1 0 338.459 2.619 50 0 EFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000004163385 210135529 /nfs/dbraw/zinc/13/55/29/210135529.db2.gz XJOYTTJOOXXVOB-AWEZNQCLSA-N 1 0 327.428 2.731 50 0 EFAARO CCC(=O)c1ccc(OCC(=O)N2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC000065501979 214936767 /nfs/dbraw/zinc/93/67/67/214936767.db2.gz XFPMESNEDRFZOD-UHFFFAOYSA-N 1 0 344.455 2.602 50 0 EFAARO CCOC(=O)N1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000004022963 210102206 /nfs/dbraw/zinc/10/22/06/210102206.db2.gz RGSRYTUDCNEWKF-UHFFFAOYSA-N 1 0 345.487 2.862 50 0 EFAARO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000004030079 210105177 /nfs/dbraw/zinc/10/51/77/210105177.db2.gz AJVSSGNKSYTTHY-UHFFFAOYSA-N 1 0 325.412 2.699 50 0 EFAARO O=C(NCc1ccco1)[C@H]1[C@@H]2C[N@@H+](Cc3ccnc4ccccc34)C[C@@H]21 ZINC000102343027 219196172 /nfs/dbraw/zinc/19/61/72/219196172.db2.gz BWOHVWJWCIPOSF-RUYXUALKSA-N 1 0 347.418 2.822 50 0 EFAARO O=C(C1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1)N1CCCC1 ZINC000067434360 215145059 /nfs/dbraw/zinc/14/50/59/215145059.db2.gz WEAJOCSPZIOYPJ-UHFFFAOYSA-N 1 0 328.416 2.504 50 0 EFAARO COC(=O)c1cc2n(n1)CCCN(Cc1c[nH]c3c1cccc3C)C2 ZINC000067447329 215146309 /nfs/dbraw/zinc/14/63/09/215146309.db2.gz KBCKXJNMKMNSBA-UHFFFAOYSA-N 1 0 338.411 2.865 50 0 EFAARO Cc1ccc(Oc2ncccc2CNC(=O)[C@@H](C)[NH+]2CCCC2)cn1 ZINC000067457879 215147796 /nfs/dbraw/zinc/14/77/96/215147796.db2.gz DKVRFAHTSFGTKN-OAHLLOKOSA-N 1 0 340.427 2.678 50 0 EFAARO Cc1cccnc1C(=O)NC[C@@H]1CC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000067459345 215148366 /nfs/dbraw/zinc/14/83/66/215148366.db2.gz NXRKHLQAFFGUGN-INIZCTEOSA-N 1 0 335.451 2.609 50 0 EFAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)n1 ZINC000067457706 215148454 /nfs/dbraw/zinc/14/84/54/215148454.db2.gz GZBAZVLYUUYTBU-CQSZACIVSA-N 1 0 342.491 2.909 50 0 EFAARO COc1cc(-c2ccc(C3(O)CC[NH2+]CC3)cc2)cc(OC)c1OC ZINC000067540101 215158972 /nfs/dbraw/zinc/15/89/72/215158972.db2.gz RCBKLAVZCVGDKW-UHFFFAOYSA-N 1 0 343.423 2.950 50 0 EFAARO COc1ccc(CN(C)c2cc([C@H]3CCC[NH2+]C3)nc(C)n2)cc1 ZINC000067540643 215159480 /nfs/dbraw/zinc/15/94/80/215159480.db2.gz JCUAKGJBLFRBJT-INIZCTEOSA-N 1 0 326.444 2.897 50 0 EFAARO CC(C)[N@@H+]1CCC[C@H](CCNC(=O)Cc2noc3ccccc23)C1 ZINC000067542228 215159758 /nfs/dbraw/zinc/15/97/58/215159758.db2.gz WBDKNRVVKXZKDX-OAHLLOKOSA-N 1 0 329.444 2.997 50 0 EFAARO C[C@@H]1CCCN(C(=O)CC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000067559979 215161731 /nfs/dbraw/zinc/16/17/31/215161731.db2.gz VWYPNXRTIMIZKJ-OAHLLOKOSA-N 1 0 326.444 2.815 50 0 EFAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3cc(F)cc(F)c3)oc2C)C1 ZINC000067562784 215163193 /nfs/dbraw/zinc/16/31/93/215163193.db2.gz IWZMCUKGBZLEGV-GFCCVEGCSA-N 1 0 349.381 2.886 50 0 EFAARO Cc1ncc(CO)c(C[NH+]2CCC([C@@H](O)c3cccs3)CC2)c1O ZINC000067587502 215164605 /nfs/dbraw/zinc/16/46/05/215164605.db2.gz XZVBFNOTHXHMBI-GOSISDBHSA-N 1 0 348.468 2.595 50 0 EFAARO C[C@H](C(=O)NCc1cccnc1-n1cnc2ccccc21)[NH+]1CCCC1 ZINC000067640926 215170140 /nfs/dbraw/zinc/17/01/40/215170140.db2.gz BWVNKPDUVIRVBO-OAHLLOKOSA-N 1 0 349.438 2.521 50 0 EFAARO O=S(=O)(c1cccc2ccccc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067589050 215166352 /nfs/dbraw/zinc/16/63/52/215166352.db2.gz VVKZYVHIWQHICQ-GOSISDBHSA-N 1 0 330.453 2.604 50 0 EFAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccccc2Cl)n1 ZINC000067613181 215168780 /nfs/dbraw/zinc/16/87/80/215168780.db2.gz NHCMQPMKFGMYSS-UHFFFAOYSA-N 1 0 333.823 2.712 50 0 EFAARO Cc1ccccc1-c1noc([C@@H](C)Nc2cc(CC[NH3+])nc(C)n2)n1 ZINC000067679361 215184667 /nfs/dbraw/zinc/18/46/67/215184667.db2.gz WPGVAJULXUBLNC-GFCCVEGCSA-N 1 0 338.415 2.818 50 0 EFAARO CC(C)=CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccnc(C(C)C)n2)C1 ZINC000067675208 215179983 /nfs/dbraw/zinc/17/99/83/215179983.db2.gz DSANNHXRYPDXFJ-MRXNPFEDSA-N 1 0 330.476 2.894 50 0 EFAARO CC(C)(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000067688326 215183735 /nfs/dbraw/zinc/18/37/35/215183735.db2.gz SOFDIUNXFSJHTA-KRWDZBQOSA-N 1 0 340.471 2.857 50 0 EFAARO Cc1ccccc1C[N@@H+]1CCC[C@H](CCNS(=O)(=O)C2CC2)C1 ZINC000067688582 215184202 /nfs/dbraw/zinc/18/42/02/215184202.db2.gz RRBXWZYZKFTHKF-MRXNPFEDSA-N 1 0 336.501 2.679 50 0 EFAARO O[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cnn3cccnc23)CC1 ZINC000067688371 215184368 /nfs/dbraw/zinc/18/43/68/215184368.db2.gz FXGDSFCYQZBPKS-IBGZPJMESA-N 1 0 336.439 2.545 50 0 EFAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCCCCCC3)cnn2c1 ZINC000067714402 215192732 /nfs/dbraw/zinc/19/27/32/215192732.db2.gz PLOWVAJKMCEXSF-UHFFFAOYSA-N 1 0 343.475 2.977 50 0 EFAARO Cc1nccn1[C@@H](C)C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000067723808 215194993 /nfs/dbraw/zinc/19/49/93/215194993.db2.gz IXUWSJBSIALYOK-AWEZNQCLSA-N 1 0 332.473 2.549 50 0 EFAARO CC1=C(CC[N@@H+]2CC[C@H](CNS(C)(=O)=O)C2)C(C)(C)CCC1 ZINC000067743828 215202226 /nfs/dbraw/zinc/20/22/26/215202226.db2.gz KSOUYTRARVLZTM-OAHLLOKOSA-N 1 0 328.522 2.774 50 0 EFAARO [NH3+]C[C@H]1Cc2cc(F)cc(-c3ccc(N4CCCCCC4)nn3)c2O1 ZINC000067743584 215202266 /nfs/dbraw/zinc/20/22/66/215202266.db2.gz YXIMEKKHXUYCCD-OAHLLOKOSA-N 1 0 342.418 2.925 50 0 EFAARO Cc1n[nH]c(C)c1CCCN(C)c1nc(CC[NH3+])nc2ccccc21 ZINC000067754849 215202844 /nfs/dbraw/zinc/20/28/44/215202844.db2.gz WUOBHZBCUIACMA-UHFFFAOYSA-N 1 0 338.459 2.540 50 0 EFAARO CC(C)c1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc[nH]3)C2)on1 ZINC000067755573 215203057 /nfs/dbraw/zinc/20/30/57/215203057.db2.gz XSBKROKXLKOFQN-AWEZNQCLSA-N 1 0 330.432 2.768 50 0 EFAARO CC(C)Oc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000067755454 215203333 /nfs/dbraw/zinc/20/33/33/215203333.db2.gz RKUGVONFNAJFEE-GOSISDBHSA-N 1 0 346.471 2.535 50 0 EFAARO C[NH+]1CCC2(CC1)CCCN(C(=O)c1ccc3[nH]cnc3c1)CC2 ZINC000067727096 215196382 /nfs/dbraw/zinc/19/63/82/215196382.db2.gz NCJBTLIXUOGMIT-UHFFFAOYSA-N 1 0 326.444 2.901 50 0 EFAARO CCC[NH+]1CCC(Cc2noc(-c3ccc4[nH]c(=O)[nH]c4c3)n2)CC1 ZINC000067725592 215196500 /nfs/dbraw/zinc/19/65/00/215196500.db2.gz CRNAQVADMWRXSF-UHFFFAOYSA-N 1 0 341.415 2.571 50 0 EFAARO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3occc3C)C2)cc1O ZINC000067757121 215204580 /nfs/dbraw/zinc/20/45/80/215204580.db2.gz JODJQORHXNXSHA-HNNXBMFYSA-N 1 0 344.411 2.554 50 0 EFAARO CC(C)=CCCn1nc(C2CC[NH2+]CC2)n(-c2ccccc2)c1=O ZINC000067787882 215211839 /nfs/dbraw/zinc/21/18/39/215211839.db2.gz HFHPRDHYHGJCLE-UHFFFAOYSA-N 1 0 326.444 2.857 50 0 EFAARO c1ccc(-c2nc3ncccn3c2CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000067790190 215213168 /nfs/dbraw/zinc/21/31/68/215213168.db2.gz HALVOMWADJUDOR-NRFANRHFSA-N 1 0 347.466 2.972 50 0 EFAARO Cc1cccc2cc(C[N@@H+]3CCC[C@@H](Cn4ccnc4)C3)c(=O)[nH]c12 ZINC000067803176 215214734 /nfs/dbraw/zinc/21/47/34/215214734.db2.gz UWPAYFFLRZUPPG-MRXNPFEDSA-N 1 0 336.439 2.945 50 0 EFAARO Cc1c2ccccc2oc1C[N@@H+]1CC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000067818457 215219452 /nfs/dbraw/zinc/21/94/52/215219452.db2.gz KSUQOTPEMVSCAB-CQSZACIVSA-N 1 0 348.468 2.645 50 0 EFAARO CCC(=O)NCc1ccccc1-c1cc2c(c(F)c1)O[C@@H](C[NH3+])C2 ZINC000067821814 215222866 /nfs/dbraw/zinc/22/28/66/215222866.db2.gz ODIZMRQWBNTVPQ-OAHLLOKOSA-N 1 0 328.387 2.781 50 0 EFAARO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000067822082 215223308 /nfs/dbraw/zinc/22/33/08/215223308.db2.gz BJGNTJRLPLECFM-HNNXBMFYSA-N 1 0 342.439 2.891 50 0 EFAARO Cc1c[nH+]ccc1NCCn1cc(-c2ccc3c(c2)OCCO3)nn1 ZINC000067803919 215216680 /nfs/dbraw/zinc/21/66/80/215216680.db2.gz AROPWRQFJAKJRJ-UHFFFAOYSA-N 1 0 337.383 2.532 50 0 EFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCc2cn3ccccc3n2)C1 ZINC000067805955 215217948 /nfs/dbraw/zinc/21/79/48/215217948.db2.gz JRMMOJFDDPASOY-INIZCTEOSA-N 1 0 328.460 2.504 50 0 EFAARO Cc1ccccc1-c1c[nH]nc1C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000067847143 215229116 /nfs/dbraw/zinc/22/91/16/215229116.db2.gz QWJUWWODCGWOLZ-SFHVURJKSA-N 1 0 338.455 2.843 50 0 EFAARO Cc1nc(C2CC[NH2+]CC2)cc(N(C)C[C@@H]2Cc3ccccc3O2)n1 ZINC000067847427 215230546 /nfs/dbraw/zinc/23/05/46/215230546.db2.gz RAAAEGICBNBBID-KRWDZBQOSA-N 1 0 338.455 2.692 50 0 EFAARO CN1CC[NH+](CC[C@H]2CCCCN2Cc2nc3ccccc3[nH]2)CC1 ZINC000067855361 215233273 /nfs/dbraw/zinc/23/32/73/215233273.db2.gz ADCMUJGPSQXVDO-QGZVFWFLSA-N 1 0 341.503 2.555 50 0 EFAARO COc1ccc(C)cc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000067855648 215233652 /nfs/dbraw/zinc/23/36/52/215233652.db2.gz YVBBQPOCMDPLPN-UHFFFAOYSA-N 1 0 346.471 2.624 50 0 EFAARO O[C@@H]1C[N@H+](Cc2ccccc2F)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067871565 215236245 /nfs/dbraw/zinc/23/62/45/215236245.db2.gz JQTDOEQKZSSCJO-DOTOQJQBSA-N 1 0 329.371 2.905 50 0 EFAARO CCc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccc(C)nc3)C2)nc1 ZINC000067872970 215237243 /nfs/dbraw/zinc/23/72/43/215237243.db2.gz GOIWLSZBYUFQCY-KRWDZBQOSA-N 1 0 338.455 2.599 50 0 EFAARO 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C[C@@H]([NH2+]C[C@H](O)COCCOc1ccc(F)cc1)c1ccccc1 ZINC000038642105 213219028 /nfs/dbraw/zinc/21/90/28/213219028.db2.gz ZOTRJEOURCINOH-QAPCUYQASA-N 1 0 333.403 2.933 50 0 EFAARO Cc1ccccc1OCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000000561773 209664587 /nfs/dbraw/zinc/66/45/87/209664587.db2.gz JYTWYGWRBBDUAS-UHFFFAOYSA-N 1 0 339.439 2.764 50 0 EFAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000036025342 213056342 /nfs/dbraw/zinc/05/63/42/213056342.db2.gz VECLMGKGWXLRCE-RPVYPSMYSA-N 1 0 327.509 2.934 50 0 EFAARO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccc3c(c2)OCO3)c1C ZINC000034928825 213001018 /nfs/dbraw/zinc/00/10/18/213001018.db2.gz GMMZZIPDFFUURU-UHFFFAOYSA-N 1 0 330.384 2.827 50 0 EFAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3ccncc3)nc2)C1 ZINC000071749259 215806180 /nfs/dbraw/zinc/80/61/80/215806180.db2.gz LTEDEROZWYLYLC-INIZCTEOSA-N 1 0 338.455 2.851 50 0 EFAARO O=c1[nH]nc(C2CC[NH+](C3CCCC3)CC2)n1Cc1ccccc1 ZINC000071763059 215817760 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COC(=O)c1cc(C[NH+]2CCC(c3cc(=O)[nH]c(C)n3)CC2)cs1 ZINC000072139101 216026086 /nfs/dbraw/zinc/02/60/86/216026086.db2.gz GYASIXKTPXMCTM-UHFFFAOYSA-N 1 0 347.440 2.718 50 0 EFAARO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](CCC(=O)N(C)C)C1 ZINC000072139099 216026296 /nfs/dbraw/zinc/02/62/96/216026296.db2.gz HULQMAVXJYDKGO-INIZCTEOSA-N 1 0 328.460 2.723 50 0 EFAARO Cn1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)cn1 ZINC000072145073 216031065 /nfs/dbraw/zinc/03/10/65/216031065.db2.gz YGFZZNQIZKNALP-QGZVFWFLSA-N 1 0 342.443 2.552 50 0 EFAARO COCC[N@@H+]1CCC[C@H](CN(C)c2cc(C(C)C)nc3ccnn32)C1 ZINC000072147848 216034665 /nfs/dbraw/zinc/03/46/65/216034665.db2.gz GYIPBHZLAGRCRY-MRXNPFEDSA-N 1 0 345.491 2.647 50 0 EFAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCCc2ccccc2)CC1 ZINC000072151282 216039044 /nfs/dbraw/zinc/03/90/44/216039044.db2.gz PTQVTPMEDRTSLQ-HXUWFJFHSA-N 1 0 332.488 2.705 50 0 EFAARO O=C(c1cccnc1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072152523 216040568 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CCn1nc(C)c(CCNC(=O)c2cccc([C@@H]3CC[NH2+]C3)c2)c1C ZINC000072161708 216049786 /nfs/dbraw/zinc/04/97/86/216049786.db2.gz XFOZTULRGSVJJK-GOSISDBHSA-N 1 0 340.471 2.569 50 0 EFAARO c1c(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)nnn1-c1ccccc1 ZINC000072153799 216042402 /nfs/dbraw/zinc/04/24/02/216042402.db2.gz AKGLQCRNHUMSLU-SFTDATJTSA-N 1 0 345.450 2.726 50 0 EFAARO c1ccc2c(c1)C[C@H](Nc1nc(-c3ccncc3)nc3c1C[NH2+]C3)CO2 ZINC000072155896 216045828 /nfs/dbraw/zinc/04/58/28/216045828.db2.gz HYFPLVGEBBUKKB-HNNXBMFYSA-N 1 0 345.406 2.557 50 0 EFAARO OC[C@]12CCC[NH2+][C@@H]1CCN(Cc1ccc(F)c(C(F)(F)F)c1)C2 ZINC000072155941 216045867 /nfs/dbraw/zinc/04/58/67/216045867.db2.gz MDWOWHFREKXRTL-HZPDHXFCSA-N 1 0 346.368 2.781 50 0 EFAARO Cc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000072157362 216047211 /nfs/dbraw/zinc/04/72/11/216047211.db2.gz JGBDIZKQKFMZDZ-MRXNPFEDSA-N 1 0 326.444 2.941 50 0 EFAARO Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000072156828 216047321 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CC[C@H](Cn1ccnc1)NC(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072167512 216058090 /nfs/dbraw/zinc/05/80/90/216058090.db2.gz LACRHGOJRFWMPD-LJQANCHMSA-N 1 0 340.471 2.634 50 0 EFAARO COc1cccc(CN2CC[N@H+](C[C@H]3CCOC(C)(C)C3)CC2=O)c1 ZINC000072171284 216062486 /nfs/dbraw/zinc/06/24/86/216062486.db2.gz PZUJGIJZLAMEAM-KRWDZBQOSA-N 1 0 346.471 2.545 50 0 EFAARO CN(C(=O)c1n[nH]cc1Cl)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072172382 216063359 /nfs/dbraw/zinc/06/33/59/216063359.db2.gz VEQRFGCGGNYYNB-HNNXBMFYSA-N 1 0 346.862 2.842 50 0 EFAARO Cc1ccc2nc(CNC(=O)c3ccccc3[C@H]3CC[NH2+]C3)cn2c1 ZINC000072168630 216058945 /nfs/dbraw/zinc/05/89/45/216058945.db2.gz HZTYJEPXDOUOAO-HNNXBMFYSA-N 1 0 334.423 2.650 50 0 EFAARO CC[NH+](CC)CCNC(=O)c1nnsc1-c1ccc(Cl)cc1 ZINC000072242931 216082425 /nfs/dbraw/zinc/08/24/25/216082425.db2.gz FIWIDKWXWZPODV-UHFFFAOYSA-N 1 0 338.864 2.930 50 0 EFAARO COc1cccc(SCC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000072272914 216095559 /nfs/dbraw/zinc/09/55/59/216095559.db2.gz 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216204259 /nfs/dbraw/zinc/20/42/59/216204259.db2.gz TVYPMVHUHHHTGY-UHFFFAOYSA-N 1 0 348.491 2.952 50 0 EFAARO CC(C)(O)CCc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)cc1 ZINC000072412314 216205425 /nfs/dbraw/zinc/20/54/25/216205425.db2.gz LEIGUEJGGMXBAF-UHFFFAOYSA-N 1 0 344.499 2.977 50 0 EFAARO CC(C)=CCC[N@@H+]1CCC[C@@H](c2cc(N3CCOCC3)ncn2)C1 ZINC000072423793 216213882 /nfs/dbraw/zinc/21/38/82/216213882.db2.gz RROANYZDYGAOAA-QGZVFWFLSA-N 1 0 330.476 2.849 50 0 EFAARO CCc1n[nH]cc1C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072424640 216214949 /nfs/dbraw/zinc/21/49/49/216214949.db2.gz ZNVRGKXUXFKYTC-UHFFFAOYSA-N 1 0 342.487 2.699 50 0 EFAARO COc1ccc([C@H](C)Nc2nc(C)nc3c2CC[NH2+]CC3)cc1F ZINC000072428467 216219022 /nfs/dbraw/zinc/21/90/22/216219022.db2.gz WHLFEKICUJVZPB-NSHDSACASA-N 1 0 330.407 2.794 50 0 EFAARO COCCCN(Cc1nc2ccccc2n1C)C1CC[NH+](C)CC1 ZINC000072427981 216219500 /nfs/dbraw/zinc/21/95/00/216219500.db2.gz QXYJACFUOCHUTQ-UHFFFAOYSA-N 1 0 330.476 2.506 50 0 EFAARO 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216254788 /nfs/dbraw/zinc/25/47/88/216254788.db2.gz CVKWZRRGRXYOIK-UHFFFAOYSA-N 1 0 341.390 2.835 50 0 EFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072478552 216256263 /nfs/dbraw/zinc/25/62/63/216256263.db2.gz QCVMSQQRVVKMEJ-INIZCTEOSA-N 1 0 332.488 2.994 50 0 EFAARO Cn1ccnc1-c1nccn1-c1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000072474921 216252684 /nfs/dbraw/zinc/25/26/84/216252684.db2.gz VQTPMLSESQDPAV-UHFFFAOYSA-N 1 0 337.427 2.746 50 0 EFAARO c1coc(-c2nc3c(c(NCCc4nccs4)n2)CC[NH2+]CC3)c1 ZINC000072475019 216253235 /nfs/dbraw/zinc/25/32/35/216253235.db2.gz YAYJRPICANLCBV-UHFFFAOYSA-N 1 0 341.440 2.536 50 0 EFAARO Nc1ccsc1C(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072479092 216258808 /nfs/dbraw/zinc/25/88/08/216258808.db2.gz URKPLSSUXCZPMO-INIZCTEOSA-N 1 0 341.480 2.646 50 0 EFAARO CC(C)CCN1CC2(CCN([C@@H](C)CC[NH+](C)C)CC2)OC1=O ZINC000072480511 216259828 /nfs/dbraw/zinc/25/98/28/216259828.db2.gz KZSSXFJGUASKAW-INIZCTEOSA-N 1 0 325.497 2.660 50 0 EFAARO c1ncc(C[N@@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)[nH]1 ZINC000072480226 216260271 /nfs/dbraw/zinc/26/02/71/216260271.db2.gz AFBCUBXPGILIKO-UHFFFAOYSA-N 1 0 348.454 2.988 50 0 EFAARO COc1ccc([C@]2(O)C[n+]3ccccc3N2Cc2ccccc2)cc1 ZINC000027299031 212552535 /nfs/dbraw/zinc/55/25/35/212552535.db2.gz CPQSXHILNMULLA-OAQYLSRUSA-N 1 0 333.411 2.851 50 0 EFAARO Cc1ccccc1-c1noc(CCC(=O)N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000065372220 238781947 /nfs/dbraw/zinc/78/19/47/238781947.db2.gz SZLZBNDSXXMAOF-HNNXBMFYSA-N 1 0 342.443 2.565 50 0 EFAARO Cn1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c1-c1ccccc1 ZINC000023619130 212386136 /nfs/dbraw/zinc/38/61/36/212386136.db2.gz XEBDUWNHAPAXOI-MRXNPFEDSA-N 1 0 349.438 2.550 50 0 EFAARO Cc1cccc(CN2CC[N@H+](CCc3ccccc3)C[C@@H]2CCO)n1 ZINC000023375256 212372749 /nfs/dbraw/zinc/37/27/49/212372749.db2.gz OLQKGMNMRITFMZ-NRFANRHFSA-N 1 0 339.483 2.501 50 0 EFAARO OCC1CCN([C@@H]2CCC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000023372882 212372182 /nfs/dbraw/zinc/37/21/82/212372182.db2.gz NJMHRNBUCAJZMQ-XIWZRWORSA-N 1 0 332.532 2.980 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2cccc3cnccc32)C[C@@H]1CCO ZINC000023374157 212372275 /nfs/dbraw/zinc/37/22/75/212372275.db2.gz PZIXHVCAAHSZJY-IBGZPJMESA-N 1 0 327.472 2.759 50 0 EFAARO OCC[C@@H]1CN(Cc2cc3ccccc3[nH]2)CC[N@@H+]1C1CCCC1 ZINC000023375075 212372291 /nfs/dbraw/zinc/37/22/91/212372291.db2.gz XNQVNZFXNVMOFZ-LJQANCHMSA-N 1 0 327.472 2.979 50 0 EFAARO C[C@H](O)c1cn(C2CC[NH+](Cc3cc4ccccc4o3)CC2)nn1 ZINC000023398838 212375235 /nfs/dbraw/zinc/37/52/35/212375235.db2.gz CRLGKFHIFYYPOD-ZDUSSCGKSA-N 1 0 326.400 2.915 50 0 EFAARO CC(=O)N1CCC([N@@H+](C)[C@H]2CCCN(CCc3ccccc3)C2)CC1 ZINC000023360923 212370778 /nfs/dbraw/zinc/37/07/78/212370778.db2.gz BMGNUPJFKYMQHY-NRFANRHFSA-N 1 0 343.515 2.636 50 0 EFAARO C[N@@H+]1CCN(Cc2cccc(OCc3ccccc3)c2)C[C@@H]1CCO ZINC000023360013 212370131 /nfs/dbraw/zinc/37/01/31/212370131.db2.gz NMYICTCICSAGAL-FQEVSTJZSA-N 1 0 340.467 2.764 50 0 EFAARO Cc1cccc(-n2cc(-c3ccnc(N4CC[C@H]([NH+](C)C)C4)n3)cn2)c1 ZINC000023214433 212360640 /nfs/dbraw/zinc/36/06/40/212360640.db2.gz PNBHRMQOXLCKDM-SFHVURJKSA-N 1 0 348.454 2.778 50 0 EFAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]C/C(Cl)=C/c2ccccc2)CN1C(C)C ZINC000023158424 212357021 /nfs/dbraw/zinc/35/70/21/212357021.db2.gz FTVLZFMYMTZRLQ-XFJWKQMHSA-N 1 0 349.906 2.843 50 0 EFAARO COCC[NH+]1CCC(CNC(=O)c2ccc(OC(C)C)cc2)CC1 ZINC000023127918 212352791 /nfs/dbraw/zinc/35/27/91/212352791.db2.gz YHLLKIFHZXPQHJ-UHFFFAOYSA-N 1 0 334.460 2.562 50 0 EFAARO Cc1ncc(CN2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)s1 ZINC000022932941 212335928 /nfs/dbraw/zinc/33/59/28/212335928.db2.gz SWDGKINHJJAOSU-SFHVURJKSA-N 1 0 345.512 2.829 50 0 EFAARO CC[NH+]1CCN(C[C@@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000022918008 212334098 /nfs/dbraw/zinc/33/40/98/212334098.db2.gz FGUGTIYSGNXZMK-LJQANCHMSA-N 1 0 340.467 2.731 50 0 EFAARO C[NH+]1CCN([C@H](CNC(=O)c2ccccc2F)c2ccsc2)CC1 ZINC000022765498 212321986 /nfs/dbraw/zinc/32/19/86/212321986.db2.gz CTRKSAMCZWNWDH-QGZVFWFLSA-N 1 0 347.459 2.606 50 0 EFAARO COc1cc(Br)c(CN2CCC[N@H+](C)CC2)cc1OC ZINC000022586548 212308599 /nfs/dbraw/zinc/30/85/99/212308599.db2.gz CAPPZGDXDOBFFZ-UHFFFAOYSA-N 1 0 343.265 2.604 50 0 EFAARO Cc1ccc(OCCOCCN2CC[NH+](C)CC2)c(C(C)(C)C)c1 ZINC000022184747 212280153 /nfs/dbraw/zinc/28/01/53/212280153.db2.gz XYLIARHRUQFPOA-UHFFFAOYSA-N 1 0 334.504 2.935 50 0 EFAARO COCCOC1CC[NH+](Cc2cnn(-c3cccc(F)c3)c2)CC1 ZINC000214992148 241099533 /nfs/dbraw/zinc/09/95/33/241099533.db2.gz KXAGRPPTRMMLEV-UHFFFAOYSA-N 1 0 333.407 2.639 50 0 EFAARO COc1cc(C[NH+]2CCC(Cc3nc(C)no3)CC2)cc(OC)c1 ZINC000215037922 241101888 /nfs/dbraw/zinc/10/18/88/241101888.db2.gz HHWBVWQLNOLKGA-UHFFFAOYSA-N 1 0 331.416 2.850 50 0 EFAARO CC(C)c1noc(C2CC[NH+](Cc3cccc(OCCO)c3)CC2)n1 ZINC000215021617 241103552 /nfs/dbraw/zinc/10/35/52/241103552.db2.gz ODAUIVBLHFDSNH-UHFFFAOYSA-N 1 0 345.443 2.944 50 0 EFAARO CO[C@H]1CCC[N@H+](Cc2ccc(OCC(=O)NC(C)(C)C)cc2)C1 ZINC000215185360 241112245 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ZINC000215897624 241154194 /nfs/dbraw/zinc/15/41/94/241154194.db2.gz YBZAITGTWPRQEG-UHFFFAOYSA-N 1 0 341.455 2.554 50 0 EFAARO Cc1cccnc1CN1CCN(CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000215971052 241156267 /nfs/dbraw/zinc/15/62/67/241156267.db2.gz KOPBFJSUVAEHID-UHFFFAOYSA-N 1 0 330.520 2.630 50 0 EFAARO Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)cc(=O)[nH]1 ZINC000215959471 241156549 /nfs/dbraw/zinc/15/65/49/241156549.db2.gz NOLOEYIOONASER-SFHVURJKSA-N 1 0 339.439 2.640 50 0 EFAARO c1cnn(C[C@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)s3)CCCO2)c1 ZINC000216171867 241172212 /nfs/dbraw/zinc/17/22/12/241172212.db2.gz RYCKNDBUJJAZKK-CQSZACIVSA-N 1 0 343.456 2.626 50 0 EFAARO CN(CC(=O)NCC1(c2ccccc2)CCCCC1)C1CC[NH2+]CC1 ZINC000216207748 241175404 /nfs/dbraw/zinc/17/54/04/241175404.db2.gz CXKDXLLSMVFFJW-UHFFFAOYSA-N 1 0 343.515 2.689 50 0 EFAARO CN1CC2(CC[NH+](Cc3ccc([C@H]4CCCCO4)o3)CC2)OC1=O ZINC000216311503 241183940 /nfs/dbraw/zinc/18/39/40/241183940.db2.gz NXYNRLRCDGLCFT-OAHLLOKOSA-N 1 0 334.416 2.938 50 0 EFAARO COc1cccc(CN(C(=O)[C@H]2C[NH2+]CCO2)C2CCCCCC2)c1 ZINC000216365916 241185590 /nfs/dbraw/zinc/18/55/90/241185590.db2.gz CAGWMAYHIUSJGW-LJQANCHMSA-N 1 0 346.471 2.735 50 0 EFAARO CCN(Cc1cnc(-c2ccc(OC)cc2)nc1)C[C@@H]1CC[N@H+](C)C1 ZINC000216388860 241187798 /nfs/dbraw/zinc/18/77/98/241187798.db2.gz DUUMQBZDHFMQSG-MRXNPFEDSA-N 1 0 340.471 2.926 50 0 EFAARO CNC(=O)CN(C)Cc1cc(C[NH+]2CCC(C)CC2)c(C)cc1C ZINC000215416820 241125764 /nfs/dbraw/zinc/12/57/64/241125764.db2.gz NMURRNGLKZZDJR-UHFFFAOYSA-N 1 0 331.504 2.713 50 0 EFAARO O[C@H](Cn1c2ccccc2c2cc(Cl)ccc21)CN1CC[NH2+]CC1 ZINC000022063803 212274155 /nfs/dbraw/zinc/27/41/55/212274155.db2.gz VKKSFIKVBRODPF-HNNXBMFYSA-N 1 0 343.858 2.714 50 0 EFAARO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H]([NH3+])C1CCCCC1 ZINC000219372514 241383104 /nfs/dbraw/zinc/38/31/04/241383104.db2.gz IOAUXAWCIUVCJB-GOSISDBHSA-N 1 0 326.444 2.943 50 0 EFAARO C[C@@H]1OCC[C@@]1(O)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000228053016 242137769 /nfs/dbraw/zinc/13/77/69/242137769.db2.gz FQLGNPFXDKBPJA-SXSDBLRQSA-N 1 0 340.261 2.825 50 0 EFAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]C(C)C)CN1Cc1cccc2ccccc21 ZINC000020998781 212198323 /nfs/dbraw/zinc/19/83/23/212198323.db2.gz XPEBYDPCTZQZCU-ICSRJNTNSA-N 1 0 339.483 2.917 50 0 EFAARO COc1cccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)c1 ZINC000020999181 212197902 /nfs/dbraw/zinc/19/79/02/212197902.db2.gz KSJYXUPLYFDGEN-IBGZPJMESA-N 1 0 332.488 2.897 50 0 EFAARO OCC[C@H]1CN(Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000020914086 212186257 /nfs/dbraw/zinc/18/62/57/212186257.db2.gz ITECPZCYJLRLHU-FQEVSTJZSA-N 1 0 328.431 2.895 50 0 EFAARO C[N@@H+]1CCCN(CC(=O)N2CCCC[C@H]2c2cccc(F)c2)CC1 ZINC000244716279 243066356 /nfs/dbraw/zinc/06/63/56/243066356.db2.gz LMDLZGZCYAQIKR-SFHVURJKSA-N 1 0 333.451 2.517 50 0 EFAARO [NH3+][C@H]1C[C@H](c2cc(NCc3ccc4c(c3)OCO4)nc(C3CC3)n2)C1 ZINC000243893868 243030343 /nfs/dbraw/zinc/03/03/43/243030343.db2.gz AUWGTLNDUBWFTI-HDJSIYSDSA-N 1 0 338.411 2.900 50 0 EFAARO CSc1ncc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000243893582 243030948 /nfs/dbraw/zinc/03/09/48/243030948.db2.gz ASNYXMRMXRGOBT-KRWDZBQOSA-N 1 0 328.485 2.905 50 0 EFAARO Cc1ccccc1[C@@]1(O)CC[N@H+](CCC(=O)NCc2cccs2)C1 ZINC000244574920 243042117 /nfs/dbraw/zinc/04/21/17/243042117.db2.gz CTPYWBSBBMOEDH-LJQANCHMSA-N 1 0 344.480 2.656 50 0 EFAARO CSCC1CC[NH+](CCN2CCN(c3ccccc3)CC2)CC1 ZINC000244633267 243046164 /nfs/dbraw/zinc/04/61/64/243046164.db2.gz GACUVJKUSVNTSQ-UHFFFAOYSA-N 1 0 333.545 2.884 50 0 EFAARO O=C(C[NH+]1CCCCCCC1)NCc1ccc2c(c1)OCCCO2 ZINC000244673878 243055292 /nfs/dbraw/zinc/05/52/92/243055292.db2.gz HXHDASLOXONVBO-UHFFFAOYSA-N 1 0 332.444 2.730 50 0 EFAARO CCN(CCn1cccn1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244773914 243078296 /nfs/dbraw/zinc/07/82/96/243078296.db2.gz PIRGIQFXFRPVOK-IBGZPJMESA-N 1 0 340.471 2.786 50 0 EFAARO [NH3+][C@H]1C[C@@H](c2cc(NCC3(c4ccccc4)CCOCC3)ncn2)C1 ZINC000244840191 243088818 /nfs/dbraw/zinc/08/88/18/243088818.db2.gz UIHMALSCOJOMLF-WOVMCDHWSA-N 1 0 338.455 2.842 50 0 EFAARO Cc1nc2cc(OCc3nnc([C@H]4C[C@@H]([NH3+])C4)n3C)ccc2s1 ZINC000244873287 243091757 /nfs/dbraw/zinc/09/17/57/243091757.db2.gz WNJHESFANJNGQC-PHIMTYICSA-N 1 0 329.429 2.517 50 0 EFAARO COc1cc(NC(=O)C[N@@H+]2CCCC3(CCOCC3)C2)cc(OC)c1 ZINC000244874735 243093839 /nfs/dbraw/zinc/09/38/39/243093839.db2.gz XGHKGMLEBXYTKW-UHFFFAOYSA-N 1 0 348.443 2.535 50 0 EFAARO Cc1cc(C)n(CC[N@@H+](C)CCC(=O)Nc2cc(F)ccc2F)n1 ZINC000244882891 243097287 /nfs/dbraw/zinc/09/72/87/243097287.db2.gz YBCPSRJWLOZZJY-UHFFFAOYSA-N 1 0 336.386 2.739 50 0 EFAARO CC(C)c1cc(CN(C)Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)on1 ZINC000244734887 243069764 /nfs/dbraw/zinc/06/97/64/243069764.db2.gz NNMAGSWUEKAUMC-BETUJISGSA-N 1 0 344.463 2.561 50 0 EFAARO CC(=O)Nc1ccc(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)cc1 ZINC000020783069 212172621 /nfs/dbraw/zinc/17/26/21/212172621.db2.gz ZKKAKFXFUKKYKJ-FQEVSTJZSA-N 1 0 347.503 2.560 50 0 EFAARO COCCCNC(=O)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000020732569 212166256 /nfs/dbraw/zinc/16/62/56/212166256.db2.gz YFXDOBSMBVYCHN-UHFFFAOYSA-N 1 0 338.451 2.861 50 0 EFAARO S=C1N=NC(c2cccnc2)N1CCC[NH2+]Cc1ccccc1 ZINC000020675713 212162638 /nfs/dbraw/zinc/16/26/38/212162638.db2.gz ZTTZNMFGFFNQJE-UHFFFAOYSA-N 1 0 325.441 2.809 50 0 EFAARO S=C(NC1CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020665499 212160082 /nfs/dbraw/zinc/16/00/82/212160082.db2.gz DSMKMHPMQVSNHC-UHFFFAOYSA-N 1 0 325.481 2.994 50 0 EFAARO CSc1ccccc1C(=O)N1CCC[C@H](N(C)CCC[NH+](C)C)C1 ZINC000020599098 212151147 /nfs/dbraw/zinc/15/11/47/212151147.db2.gz YAGDVOBYUIEDHJ-INIZCTEOSA-N 1 0 349.544 2.897 50 0 EFAARO CCC[NH+]1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000020595133 212149826 /nfs/dbraw/zinc/14/98/26/212149826.db2.gz NKRMEICCZYQWER-UHFFFAOYSA-N 1 0 330.259 2.960 50 0 EFAARO COC(=O)c1ccc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)cc1 ZINC000020539949 212145964 /nfs/dbraw/zinc/14/59/64/212145964.db2.gz YPRSAJNHEFVUHU-INIZCTEOSA-N 1 0 327.380 2.575 50 0 EFAARO CN(C)CC[N@H+](C)[C@@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000020542108 212145354 /nfs/dbraw/zinc/14/53/54/212145354.db2.gz BQBMUOOWDFNAIE-OAHLLOKOSA-N 1 0 327.875 2.937 50 0 EFAARO C[NH+](C)C[C@@H](O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000076556447 216791495 /nfs/dbraw/zinc/79/14/95/216791495.db2.gz YTCUZCMHOROESO-OAHLLOKOSA-N 1 0 325.412 2.538 50 0 EFAARO O=c1cc([C@H]2C[C@H]([NH2+]C3CSCCSC3)C2)nc(C2CC2)[nH]1 ZINC000253534780 244006674 /nfs/dbraw/zinc/00/66/74/244006674.db2.gz CFNYXHHVWSRTFA-HAQNSBGRSA-N 1 0 337.514 2.744 50 0 EFAARO CC[NH+]1CCN(CCOc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000020406313 212125562 /nfs/dbraw/zinc/12/55/62/212125562.db2.gz HLZCRGLFIDOZOX-UHFFFAOYSA-N 1 0 338.451 2.934 50 0 EFAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C(C)C)CN1Cc1ccccc1Cl ZINC000020272341 212116011 /nfs/dbraw/zinc/11/60/11/212116011.db2.gz XQCUZVMLJZGBGG-WBVHZDCISA-N 1 0 337.895 2.806 50 0 EFAARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)C2 ZINC000020232646 212113147 /nfs/dbraw/zinc/11/31/47/212113147.db2.gz WVSBVABRCTYQEC-QGZVFWFLSA-N 1 0 326.396 2.747 50 0 EFAARO OCC[C@@H]1CN(Cc2nccs2)CC[N@@H+]1CCCc1ccccc1 ZINC000020166277 212108742 /nfs/dbraw/zinc/10/87/42/212108742.db2.gz KBIBXGPHMTTYLS-GOSISDBHSA-N 1 0 345.512 2.645 50 0 EFAARO Clc1ccc(OCCOCCN2CC[NH2+]CC2)c2ccccc12 ZINC000020118084 212102698 /nfs/dbraw/zinc/10/26/98/212102698.db2.gz HKKWZPWKCWYOHP-UHFFFAOYSA-N 1 0 334.847 2.794 50 0 EFAARO C[NH+]1CCN(CCOCCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000020118049 212103223 /nfs/dbraw/zinc/10/32/23/212103223.db2.gz CVUZJTJTNLBFLK-UHFFFAOYSA-N 1 0 333.259 2.636 50 0 EFAARO Cc1cc(Cl)c(OCCOCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000020118207 212103253 /nfs/dbraw/zinc/10/32/53/212103253.db2.gz UXGCOSBPOYSYCP-UHFFFAOYSA-N 1 0 333.259 2.602 50 0 EFAARO COc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)CC(C)(C)SC)c1 ZINC000019884547 212079272 /nfs/dbraw/zinc/07/92/72/212079272.db2.gz VCGPUPUUSGONAO-KBPBESRZSA-N 1 0 327.490 2.945 50 0 EFAARO c1nn(CCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)c2ccccc12 ZINC000077437879 216904026 /nfs/dbraw/zinc/90/40/26/216904026.db2.gz VPBUUDLWJCETAI-QGZVFWFLSA-N 1 0 329.444 2.744 50 0 EFAARO CCn1c2ccccc2c2cc(CNCC[NH2+]C[C@@H](C)O)ccc21 ZINC000019872278 212077235 /nfs/dbraw/zinc/07/72/35/212077235.db2.gz OCJURGOCJPGPAO-OAHLLOKOSA-N 1 0 325.456 2.874 50 0 EFAARO COc1ccc(OCC(=O)N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000019841990 212075783 /nfs/dbraw/zinc/07/57/83/212075783.db2.gz VGYNDCKCGVGKCE-UHFFFAOYSA-N 1 0 346.471 2.941 50 0 EFAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cccc3ccccc32)cc1 ZINC000019871822 212077690 /nfs/dbraw/zinc/07/76/90/212077690.db2.gz VXZRQQMOCBAJCN-UHFFFAOYSA-N 1 0 340.448 2.820 50 0 EFAARO Cc1ccc(CN2CC[C@H]([N@H+](C)Cc3ccon3)CCC2=O)cc1 ZINC000019770830 212063307 /nfs/dbraw/zinc/06/33/07/212063307.db2.gz HSLNAPAIQTTZCR-GOSISDBHSA-N 1 0 327.428 2.996 50 0 EFAARO CC(=O)N1CCC(N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC1 ZINC000019744511 212060811 /nfs/dbraw/zinc/06/08/11/212060811.db2.gz ZPWVZLJTBJUCCN-OAQYLSRUSA-N 1 0 343.515 2.636 50 0 EFAARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2coc3ccccc3c2=O)C1 ZINC000019732443 212058635 /nfs/dbraw/zinc/05/86/35/212058635.db2.gz ZEHUWWBKNAIOAA-CABCVRRESA-N 1 0 348.402 2.574 50 0 EFAARO CCCCc1nc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)c[nH]1 ZINC000019720995 212058152 /nfs/dbraw/zinc/05/81/52/212058152.db2.gz VFTCLDBABJLQEJ-IBGZPJMESA-N 1 0 348.535 2.954 50 0 EFAARO O[C@H](COCc1ccccc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019720431 212057163 /nfs/dbraw/zinc/05/71/63/212057163.db2.gz YYYAPPYXGCPAPW-FQEVSTJZSA-N 1 0 344.430 2.525 50 0 EFAARO COc1cc(OC)c(CN2CCC[N@H+](C)CC2)cc1Br ZINC000019536405 212039267 /nfs/dbraw/zinc/03/92/67/212039267.db2.gz KEDKUNDQJRZHCY-UHFFFAOYSA-N 1 0 343.265 2.604 50 0 EFAARO O=C1C[C@H]([NH2+]CCc2ccccc2Cl)C(=O)N1c1ccccc1 ZINC000019372939 212023992 /nfs/dbraw/zinc/02/39/92/212023992.db2.gz VBJDWKGJQJGZLK-INIZCTEOSA-N 1 0 328.799 2.804 50 0 EFAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]C(C)C)CN1Cc1cccc2ccccc21 ZINC000019229289 212007447 /nfs/dbraw/zinc/00/74/47/212007447.db2.gz XPEBYDPCTZQZCU-QUCCMNQESA-N 1 0 339.483 2.917 50 0 EFAARO OCC[C@@H]1CN(Cc2ccc(O)c(Cl)c2)CC[N@@H+]1C1CCCC1 ZINC000019227443 212007464 /nfs/dbraw/zinc/00/74/64/212007464.db2.gz LBOCSTCSTSXLEW-MRXNPFEDSA-N 1 0 338.879 2.857 50 0 EFAARO C[NH+](C)CC[C@H]1CN(C(=O)c2ccc3cccc(Cl)c3n2)CCO1 ZINC000019148216 212001471 /nfs/dbraw/zinc/00/14/71/212001471.db2.gz VEQIEVPHBPJICU-AWEZNQCLSA-N 1 0 347.846 2.681 50 0 EFAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2F)CC1 ZINC000016602616 211917531 /nfs/dbraw/zinc/91/75/31/211917531.db2.gz RHOKYJQEKNSDTH-GFCCVEGCSA-N 1 0 326.387 2.723 50 0 EFAARO O=C(Nc1ccccc1)[C@@H]1C[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000062001468 284366669 /nfs/dbraw/zinc/36/66/69/284366669.db2.gz BGNAVPVVCKLCJF-WJPUGNRLSA-N 1 0 347.418 2.957 50 0 biogenic EFAARO CCn1cc(C[NH2+][C@H]2CC(=O)N(Cc3cccc4ccccc43)C2)cn1 ZINC000015073208 211797725 /nfs/dbraw/zinc/79/77/25/211797725.db2.gz MXVPFHRTBVIYAP-IBGZPJMESA-N 1 0 348.450 2.947 50 0 EFAARO CCCc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)cn1 ZINC000015062036 211794092 /nfs/dbraw/zinc/79/40/92/211794092.db2.gz AYQCCMFBLSGTNG-FQEVSTJZSA-N 1 0 342.487 2.654 50 0 EFAARO CC(C)C[NH2+][C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000014538663 211742355 /nfs/dbraw/zinc/74/23/55/211742355.db2.gz XROXEOOKKUPJOV-ZDUSSCGKSA-N 1 0 346.500 2.515 50 0 EFAARO O=C(CC[NH+]1CCCCC1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000082087401 217461940 /nfs/dbraw/zinc/46/19/40/217461940.db2.gz CMSUPCFRWRIFHS-UHFFFAOYSA-N 1 0 333.451 2.740 50 0 EFAARO COc1ccc(OC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)cc1 ZINC000082109642 217468822 /nfs/dbraw/zinc/46/88/22/217468822.db2.gz ZZBIVHHYNKPQRD-UHFFFAOYSA-N 1 0 346.471 2.939 50 0 EFAARO Cn1ncc(N2CC[C@H](C[NH2+]C3CC(C)(C)CC(C)(C)C3)C2)cc1=O ZINC000082120674 217472323 /nfs/dbraw/zinc/47/23/23/217472323.db2.gz WXXPWOVOKWXJDR-OAHLLOKOSA-N 1 0 346.519 2.801 50 0 EFAARO Cc1ccnc([C@H](NC(=O)c2cccc(OCC[NH3+])c2)C2CC2)c1 ZINC000426382830 247272421 /nfs/dbraw/zinc/27/24/21/247272421.db2.gz XLSKXHCVLGWNKF-GOSISDBHSA-N 1 0 325.412 2.609 50 0 EFAARO CCc1ccccc1-c1cccc(C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000426382885 247272956 /nfs/dbraw/zinc/27/29/56/247272956.db2.gz HKZZMQHZGVYXHF-SFHVURJKSA-N 1 0 326.440 2.568 50 0 EFAARO C[N@H+](CCCNC(=O)N1CC(Oc2ccccc2)C1)C1CCCC1 ZINC000426389647 247274541 /nfs/dbraw/zinc/27/45/41/247274541.db2.gz LYRPCHBVVUSZJG-UHFFFAOYSA-N 1 0 331.460 2.724 50 0 EFAARO Cc1c[nH+]ccc1NCCNC(=O)N(C)Cc1csc(C(C)C)n1 ZINC000426401762 247276548 /nfs/dbraw/zinc/27/65/48/247276548.db2.gz HPXBXLVAOZWVLJ-UHFFFAOYSA-N 1 0 347.488 2.645 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCOc2ccc(Cl)cc2C1 ZINC000426407545 247277179 /nfs/dbraw/zinc/27/71/79/247277179.db2.gz MLRRUFIKLCNEOE-OAHLLOKOSA-N 1 0 337.851 2.728 50 0 EFAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](c2ccn(CCO)n2)C1 ZINC000426405469 247278247 /nfs/dbraw/zinc/27/82/47/247278247.db2.gz HJEYXMPIWVPXMC-QGZVFWFLSA-N 1 0 345.491 2.649 50 0 EFAARO O=C(NCC1CC[NH2+]CC1)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000426433948 247279909 /nfs/dbraw/zinc/27/99/09/247279909.db2.gz DEQIAWCIUGJLPM-SFHVURJKSA-N 1 0 342.418 2.609 50 0 EFAARO Cc1cccc(OCCCN(C)C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000426477235 247285040 /nfs/dbraw/zinc/28/50/40/247285040.db2.gz PHRXODJVLUZPQF-KRWDZBQOSA-N 1 0 333.476 2.747 50 0 EFAARO CC[NH+]1CCC(CCNC(=O)N2CC(Oc3ccccc3F)C2)CC1 ZINC000426478640 247285448 /nfs/dbraw/zinc/28/54/48/247285448.db2.gz AURLKQVBKMTSIC-UHFFFAOYSA-N 1 0 349.450 2.720 50 0 EFAARO NC(=O)CCCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000426490200 247286715 /nfs/dbraw/zinc/28/67/15/247286715.db2.gz JJEZDXDEQQXGEX-XHSDSOJGSA-N 1 0 340.427 2.571 50 0 EFAARO [NH3+]CCOc1cccc(C(=O)NC2(c3cc(F)ccc3F)CC2)c1 ZINC000426490239 247287054 /nfs/dbraw/zinc/28/70/54/247287054.db2.gz RRWHLDBEMOKSTO-UHFFFAOYSA-N 1 0 332.350 2.721 50 0 EFAARO CO[C@]12CC[N@H+](Cc3c(C)cnn3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426513702 247289809 /nfs/dbraw/zinc/28/98/09/247289809.db2.gz PRVCYCQRACSASP-NZSAHSFTSA-N 1 0 333.476 2.667 50 0 EFAARO Cc1ccc(-c2cc(CSc3nnc(CC[NH3+])n3C)on2)cc1 ZINC000426512333 247290676 /nfs/dbraw/zinc/29/06/76/247290676.db2.gz VDUUZFHDFMBPAH-UHFFFAOYSA-N 1 0 329.429 2.572 50 0 EFAARO CCN(Cc1ccncc1)C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000426562841 247292170 /nfs/dbraw/zinc/29/21/70/247292170.db2.gz GKFUGJATTLEVSI-LJQANCHMSA-N 1 0 338.455 2.670 50 0 EFAARO O=C(NCc1csc(-c2cccs2)n1)N1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000426734247 247293366 /nfs/dbraw/zinc/29/33/66/247293366.db2.gz HEDVILOYOHBITI-YPMHNXCESA-N 1 0 348.497 2.765 50 0 EFAARO Cc1ccccc1[C@@H](O)CNC(=O)NCCCC[NH+]1CCCCCC1 ZINC000426728264 247293943 /nfs/dbraw/zinc/29/39/43/247293943.db2.gz KQHHUHZEOQBDNY-IBGZPJMESA-N 1 0 347.503 2.984 50 0 EFAARO C[NH2+]CCN(C)C(=O)c1ccc(-c2ccc(C(=O)OC)cc2C)cc1 ZINC000426376579 247271490 /nfs/dbraw/zinc/27/14/90/247271490.db2.gz VROZQDGKKQCEAL-UHFFFAOYSA-N 1 0 340.423 2.740 50 0 EFAARO O=C(N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1ccccc1 ZINC000012430569 211378353 /nfs/dbraw/zinc/37/83/53/211378353.db2.gz QPDVQEYKIMJYGZ-IBGZPJMESA-N 1 0 348.446 2.617 50 0 EFAARO Cc1ccnn1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(C)(C)C)C2 ZINC000012476205 211392228 /nfs/dbraw/zinc/39/22/28/211392228.db2.gz KAIXRYVGVLFNPS-FQEVSTJZSA-N 1 0 346.519 2.942 50 0 EFAARO CC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012468980 211390140 /nfs/dbraw/zinc/39/01/40/211390140.db2.gz XFBLNLMHOFBZEN-MRXNPFEDSA-N 1 0 336.863 2.642 50 0 EFAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](CCCn3cccn3)C2)c1 ZINC000012465744 211389817 /nfs/dbraw/zinc/38/98/17/211389817.db2.gz FDPDNGUTRBPTJY-QGZVFWFLSA-N 1 0 327.428 2.877 50 0 EFAARO O=C1N(Cc2ccccc2F)CCC[C@@]1(O)C[NH2+]CC1CCCCC1 ZINC000012438254 211382461 /nfs/dbraw/zinc/38/24/61/211382461.db2.gz IYDIWMVAUHJTJO-HXUWFJFHSA-N 1 0 348.462 2.849 50 0 EFAARO O=C(CC[C@H]1CCC[N@@H+](C2CSCCSC2)C1)NC1CC1 ZINC000012437910 211380971 /nfs/dbraw/zinc/38/09/71/211380971.db2.gz UUXTVPNMOUWNIL-CYBMUJFWSA-N 1 0 328.547 2.606 50 0 EFAARO CC[NH+]1CCC(CNC(=O)c2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000012411939 211371353 /nfs/dbraw/zinc/37/13/53/211371353.db2.gz IXJJKCYNARIEKO-UHFFFAOYSA-N 1 0 343.427 2.812 50 0 EFAARO COc1ccc(CCN2C[C@H]([NH2+]Cc3ccc(C)o3)CC2=O)cc1 ZINC000012385709 211364933 /nfs/dbraw/zinc/36/49/33/211364933.db2.gz ULSOEUVJFKEBGL-MRXNPFEDSA-N 1 0 328.412 2.530 50 0 EFAARO O=C(c1sccc1Cl)N1CCC[C@H]([NH+]2CCC(CO)CC2)C1 ZINC000012300886 211336510 /nfs/dbraw/zinc/33/65/10/211336510.db2.gz VFYIXAINSAOZAP-ZDUSSCGKSA-N 1 0 342.892 2.710 50 0 EFAARO Cc1cc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c(C)o1 ZINC000095369889 291698837 /nfs/dbraw/zinc/69/88/37/291698837.db2.gz WNDVXPXCDOPDHE-INIZCTEOSA-N 1 0 344.459 2.674 50 0 EFAARO CC(=O)N1CCC([NH2+]Cc2cccnc2Oc2ccccc2)CC1 ZINC000012305317 211339790 /nfs/dbraw/zinc/33/97/90/211339790.db2.gz HXFFBQCOWXQNIZ-UHFFFAOYSA-N 1 0 325.412 2.974 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 ZINC000012196454 211317538 /nfs/dbraw/zinc/31/75/38/211317538.db2.gz OSVSYZOCTQGJEL-OAHLLOKOSA-N 1 0 348.349 2.726 50 0 EFAARO CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cc(C)cc(C)c3)CC2)O1 ZINC000012205977 211320860 /nfs/dbraw/zinc/32/08/60/211320860.db2.gz IWHPLDVQWMVVKQ-LJQANCHMSA-N 1 0 330.472 2.953 50 0 EFAARO CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cc(C)cc(C)c3)CC2)O1 ZINC000012205967 211320062 /nfs/dbraw/zinc/32/00/62/211320062.db2.gz IWHPLDVQWMVVKQ-IBGZPJMESA-N 1 0 330.472 2.953 50 0 EFAARO O=C1CC[C@H](CC[NH2+]Cc2cccnc2)N1Cc1ccccc1F ZINC000012134900 211301486 /nfs/dbraw/zinc/30/14/86/211301486.db2.gz DNBGCZOFTVGQRW-QGZVFWFLSA-N 1 0 327.403 2.892 50 0 EFAARO O=C(CCN1CCCCO1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012111933 211291503 /nfs/dbraw/zinc/29/15/03/211291503.db2.gz HRSUFQPCRLNLTB-GOSISDBHSA-N 1 0 337.508 2.565 50 0 EFAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2ccco2)cc1 ZINC000012097133 211290619 /nfs/dbraw/zinc/29/06/19/211290619.db2.gz BYUYBQCIMKMATF-MRXNPFEDSA-N 1 0 328.412 2.959 50 0 EFAARO CCc1nc(C)c(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC000012091855 211289313 /nfs/dbraw/zinc/28/93/13/211289313.db2.gz XCACROKVGRJFIS-QGZVFWFLSA-N 1 0 341.455 2.982 50 0 EFAARO CC(=O)N1CCC(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000012053241 211284528 /nfs/dbraw/zinc/28/45/28/211284528.db2.gz WZPWZSJVFAVYJK-SFHVURJKSA-N 1 0 349.519 2.548 50 0 EFAARO O=C(CCc1cnccn1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012028458 211281614 /nfs/dbraw/zinc/28/16/14/211281614.db2.gz VXOPCPCHRBLASV-SFHVURJKSA-N 1 0 330.476 2.570 50 0 EFAARO CN(C(=O)c1cnccn1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012001820 211278246 /nfs/dbraw/zinc/27/82/46/211278246.db2.gz VGOVHWCLKVQXLW-GOSISDBHSA-N 1 0 338.455 2.646 50 0 EFAARO CCCn1ccnc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091391112 218000511 /nfs/dbraw/zinc/00/05/11/218000511.db2.gz ZVMWPKJSNKVGSC-PKOBYXMFSA-N 1 0 339.487 2.785 50 0 EFAARO CCCn1ncc(C[NH+]2CCC(n3nccc3NC(C)=O)CC2)c1C ZINC000011951642 211274829 /nfs/dbraw/zinc/27/48/29/211274829.db2.gz POEKGHNOTVEJKB-UHFFFAOYSA-N 1 0 344.463 2.594 50 0 EFAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)c3cccc(Cl)c3)C2)CC1 ZINC000011949403 211274654 /nfs/dbraw/zinc/27/46/54/211274654.db2.gz VJRODUZCMXHXMB-INIZCTEOSA-N 1 0 335.879 2.628 50 0 EFAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH2+]CC1CCCCC1 ZINC000011951124 211273946 /nfs/dbraw/zinc/27/39/46/211273946.db2.gz QWMGLKIUNCEKCG-FQEVSTJZSA-N 1 0 348.462 2.849 50 0 EFAARO CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)cc1OCC ZINC000091416952 218002795 /nfs/dbraw/zinc/00/27/95/218002795.db2.gz AAUVEYYNIQXKLY-GOEBONIOSA-N 1 0 332.444 2.650 50 0 EFAARO O=C1NCCC[C@]12CC[N@@H+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC000091425847 218003551 /nfs/dbraw/zinc/00/35/51/218003551.db2.gz UTKMDKSKSLDBSG-OAHLLOKOSA-N 1 0 328.334 2.687 50 0 EFAARO CCn1nc(CC(C)C)cc1C(=O)N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000091426954 218004220 /nfs/dbraw/zinc/00/42/20/218004220.db2.gz VQFSWVQMLNIGAJ-OAHLLOKOSA-N 1 0 332.492 2.800 50 0 EFAARO C[C@@H](Cc1cnccn1)[NH2+]Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091434280 218004902 /nfs/dbraw/zinc/00/49/02/218004902.db2.gz QWGHNVHVKSTQCN-NSHDSACASA-N 1 0 328.803 2.692 50 0 EFAARO CCCNc1ncc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cn1 ZINC000091625121 218034176 /nfs/dbraw/zinc/03/41/76/218034176.db2.gz WFRAEYQYISTITB-FUHWJXTLSA-N 1 0 329.492 2.605 50 0 EFAARO CC(C)([NH3+])C(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 ZINC000091505504 218015643 /nfs/dbraw/zinc/01/56/43/218015643.db2.gz VBPAHMXUKSRZMP-HNNXBMFYSA-N 1 0 326.444 2.739 50 0 EFAARO COc1ccc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1 ZINC000091526224 218018189 /nfs/dbraw/zinc/01/81/89/218018189.db2.gz UAXSLFCYPNBLLC-WMLDXEAASA-N 1 0 332.419 2.667 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C1(c3ccc(C)cc3)CC1)C2 ZINC000091625381 218034484 /nfs/dbraw/zinc/03/44/84/218034484.db2.gz AFWRZACOLJLROQ-IEBWSBKVSA-N 1 0 342.483 2.596 50 0 EFAARO CCCn1ncc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1C ZINC000091563342 218022113 /nfs/dbraw/zinc/02/21/13/218022113.db2.gz VHCWBIBTIXUNFH-SFHVURJKSA-N 1 0 328.460 2.943 50 0 EFAARO COc1ccc(COC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000011852190 211258848 /nfs/dbraw/zinc/25/88/48/211258848.db2.gz CKDCLCXRNBMMGP-YQQAZPJKSA-N 1 0 337.460 2.844 50 0 EFAARO CCCCc1c(C)[nH+]c(N)nc1N1CCC(C(=O)N2CCCC2)CC1 ZINC000091574377 218023333 /nfs/dbraw/zinc/02/33/33/218023333.db2.gz AQNOCCOHXSEPPI-UHFFFAOYSA-N 1 0 345.491 2.549 50 0 EFAARO OC[C@H]1CN(c2nc3ccccc3s2)C[C@H]1C[NH+]1CCCCC1 ZINC000091575281 218023674 /nfs/dbraw/zinc/02/36/74/218023674.db2.gz LQFULGBRRUDQFW-HUUCEWRRSA-N 1 0 331.485 2.827 50 0 EFAARO Cc1cccc(Cl)c1S(=O)(=O)N1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000091585746 218024134 /nfs/dbraw/zinc/02/41/34/218024134.db2.gz CVSPZXAROQGTBY-DZGCQCFKSA-N 1 0 344.908 2.855 50 0 EFAARO CC(C)CN(C)c1ccc(C(=O)NCC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000011838877 211253349 /nfs/dbraw/zinc/25/33/49/211253349.db2.gz LWKSVJWOEVVTEW-KRWDZBQOSA-N 1 0 332.492 2.778 50 0 EFAARO CC(C)(C)CN1C[C@H]([NH2+]Cc2cccn2-c2ccccn2)CC1=O ZINC000011821941 211252715 /nfs/dbraw/zinc/25/27/15/211252715.db2.gz WGGUCXLTEDMYLN-OAHLLOKOSA-N 1 0 326.444 2.609 50 0 EFAARO C[C@@H](c1cccs1)n1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000091690306 218047437 /nfs/dbraw/zinc/04/74/37/218047437.db2.gz DNNNXFRROUEFJL-LBPRGKRZSA-N 1 0 328.445 2.737 50 0 EFAARO Cc1cc(N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)ncn1 ZINC000091690053 218047865 /nfs/dbraw/zinc/04/78/65/218047865.db2.gz VVZGWALHEGQWIS-UHFFFAOYSA-N 1 0 340.475 2.518 50 0 EFAARO C[C@H](c1cccs1)n1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000091690308 218048547 /nfs/dbraw/zinc/04/85/47/218048547.db2.gz DNNNXFRROUEFJL-GFCCVEGCSA-N 1 0 328.445 2.737 50 0 EFAARO Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(Cc3cccc(C)c3)C2=O)o1 ZINC000011717327 211240278 /nfs/dbraw/zinc/24/02/78/211240278.db2.gz IHSSAIPSDIDCLK-FQEVSTJZSA-N 1 0 342.439 2.540 50 0 EFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCSC)C3)cc1 ZINC000091636734 218036539 /nfs/dbraw/zinc/03/65/39/218036539.db2.gz OUUBGZHQKNNDEU-DLBZAZTESA-N 1 0 348.512 2.871 50 0 EFAARO COc1cccc(F)c1C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000091635384 218036671 /nfs/dbraw/zinc/03/66/71/218036671.db2.gz ZSXDAQAVJPFYLB-UHFFFAOYSA-N 1 0 343.402 2.890 50 0 EFAARO COCCN1CC2(CCC1=O)CC[NH+](CCc1cccc(F)c1)CC2 ZINC000091644151 218037806 /nfs/dbraw/zinc/03/78/06/218037806.db2.gz FKXRKLVMTXLFPM-UHFFFAOYSA-N 1 0 348.462 2.719 50 0 EFAARO O=c1cc(C[NH2+]C[C@@H](O)c2ccc(O)cc2)[nH]c2c(Cl)cccc12 ZINC000091644813 218038185 /nfs/dbraw/zinc/03/81/85/218038185.db2.gz HHSRCJBOUYJRIL-QGZVFWFLSA-N 1 0 344.798 2.710 50 0 EFAARO CCc1ccccc1C[NH+]1CCC2(CCC(=O)N(C[C@H](C)O)C2)CC1 ZINC000091644597 218038219 /nfs/dbraw/zinc/03/82/19/218038219.db2.gz WZKBNLOCUXKTHN-KRWDZBQOSA-N 1 0 344.499 2.834 50 0 EFAARO CC(C)n1cnnc1C[N@@H+]1CC[C@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091645089 218039184 /nfs/dbraw/zinc/03/91/84/218039184.db2.gz TZZMFQJVCKJSSP-IBGZPJMESA-N 1 0 345.491 2.616 50 0 EFAARO COCC[C@]1(O)CC[N@H+](Cc2cnn(-c3ccccc3F)c2)C[C@H]1C ZINC000091655806 218040904 /nfs/dbraw/zinc/04/09/04/218040904.db2.gz IBBPUPKAJCEDCL-DNVCBOLYSA-N 1 0 347.434 2.621 50 0 EFAARO COc1ccc([C@H]2CN(C(=O)CCc3ccsc3)C[C@@H]2[NH3+])cc1 ZINC000091662996 218042549 /nfs/dbraw/zinc/04/25/49/218042549.db2.gz IOOUVRQTMZHITN-SJORKVTESA-N 1 0 330.453 2.643 50 0 EFAARO CCn1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)c(C)n1 ZINC000091665652 218044152 /nfs/dbraw/zinc/04/41/52/218044152.db2.gz ZSEMOSZZWSJPSX-AZUAARDMSA-N 1 0 339.487 2.703 50 0 EFAARO O=C(CCc1cc2n(n1)CCC[N@H+](C[C@H]1CC=CCC1)C2)NC1CC1 ZINC000091678081 218045122 /nfs/dbraw/zinc/04/51/22/218045122.db2.gz ZDLOUFVJGBLCMH-INIZCTEOSA-N 1 0 342.487 2.656 50 0 EFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCCN(Cc2cccc(F)c2)CC1 ZINC000091756835 218060622 /nfs/dbraw/zinc/06/06/22/218060622.db2.gz TUBPBBHKSUAOEE-LJQANCHMSA-N 1 0 347.478 2.734 50 0 EFAARO CCCc1cnc(C)nc1N1C[C@H]([NH3+])[C@@H](c2ccc(OC)cc2)C1 ZINC000091757376 218060743 /nfs/dbraw/zinc/06/07/43/218060743.db2.gz CSCRRKUSKMIUMR-MSOLQXFVSA-N 1 0 326.444 2.677 50 0 EFAARO COc1ccccc1C[NH2+][C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000011661923 211229789 /nfs/dbraw/zinc/22/97/89/211229789.db2.gz RJBQEOFTSYTYHD-SFHVURJKSA-N 1 0 336.435 2.553 50 0 EFAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1 ZINC000091770440 218063551 /nfs/dbraw/zinc/06/35/51/218063551.db2.gz VTAJRZZAVBHBAT-HXUWFJFHSA-N 1 0 344.499 2.826 50 0 EFAARO CCCn1ccnc1-c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000091779644 218065186 /nfs/dbraw/zinc/06/51/86/218065186.db2.gz JUHCBYFCJSDNNM-KRWDZBQOSA-N 1 0 336.443 2.999 50 0 EFAARO CC(C)[C@@H]([NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1)c1nccn1C ZINC000091781222 218065390 /nfs/dbraw/zinc/06/53/90/218065390.db2.gz FNJPRYYNULGCFS-QGZVFWFLSA-N 1 0 328.391 2.888 50 0 EFAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000091781989 218065395 /nfs/dbraw/zinc/06/53/95/218065395.db2.gz RKPKYSMUXVXWNM-HXUWFJFHSA-N 1 0 333.472 2.989 50 0 EFAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCCCc2nc3ccccc3n2C)C1 ZINC000091932375 218090251 /nfs/dbraw/zinc/09/02/51/218090251.db2.gz YDPHUMYVGVTUKX-HXUWFJFHSA-N 1 0 342.487 2.744 50 0 EFAARO COc1cccc([C@H]2CN(C(=O)CCc3ccccc3F)C[C@@H]2[NH3+])c1 ZINC000091943318 218092094 /nfs/dbraw/zinc/09/20/94/218092094.db2.gz JHAWMGIPKIHCSF-MJGOQNOKSA-N 1 0 342.414 2.720 50 0 EFAARO CC(=O)N1CCC([N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000091859041 218078715 /nfs/dbraw/zinc/07/87/15/218078715.db2.gz XKMDXTDMTZAOOL-TZIWHRDSSA-N 1 0 341.499 2.594 50 0 EFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cn3c(cccc3C)n1)C2 ZINC000091872082 218080692 /nfs/dbraw/zinc/08/06/92/218080692.db2.gz BQPMQACNKNDRRD-HZPDHXFCSA-N 1 0 326.444 2.589 50 0 EFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(c1ccc(Cl)cn1)CC2 ZINC000091876980 218083748 /nfs/dbraw/zinc/08/37/48/218083748.db2.gz UBANBHGXTAOVQX-UHFFFAOYSA-N 1 0 331.851 2.832 50 0 EFAARO OC[C@H]1CN(Cc2cc3ccccc3o2)C[C@H]1C[NH+]1CCCCC1 ZINC000091906769 218086752 /nfs/dbraw/zinc/08/67/52/218086752.db2.gz AJEWIUNPDRQXGA-QZTJIDSGSA-N 1 0 328.456 2.959 50 0 EFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cn3cc(Cl)ccc3n1)C2 ZINC000092003801 218101714 /nfs/dbraw/zinc/10/17/14/218101714.db2.gz VWTRAKHAHNOYIU-UKRRQHHQSA-N 1 0 346.862 2.934 50 0 EFAARO O=C1[C@H]2CC[C@H](C[N@H+](CCOCc3ccccc3)C2)N1CC1CCC1 ZINC000092028769 218105976 /nfs/dbraw/zinc/10/59/76/218105976.db2.gz XUEKBNTYLRWTCK-VQTJNVASSA-N 1 0 342.483 2.926 50 0 EFAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC000091950894 218093668 /nfs/dbraw/zinc/09/36/68/218093668.db2.gz MKOVPELKMCFEQI-INIZCTEOSA-N 1 0 343.471 2.873 50 0 EFAARO c1ccc(C[NH+]2CCN(CCNc3cc(C4CC4)ncn3)CC2)cc1 ZINC000091952352 218094809 /nfs/dbraw/zinc/09/48/09/218094809.db2.gz LBEBISWHSPACPG-UHFFFAOYSA-N 1 0 337.471 2.584 50 0 EFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccccc2F)C1 ZINC000010544122 211180574 /nfs/dbraw/zinc/18/05/74/211180574.db2.gz PQIGMTCDNGBJJV-HUUCEWRRSA-N 1 0 342.480 2.613 50 0 EFAARO CCOc1c(C[NH2+][C@@H](CC)CO)cc(Br)cc1OC ZINC000010474297 211176123 /nfs/dbraw/zinc/17/61/23/211176123.db2.gz UWPFDJBLRXUAPM-LBPRGKRZSA-N 1 0 332.238 2.717 50 0 EFAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000010003193 211139204 /nfs/dbraw/zinc/13/92/04/211139204.db2.gz CDGBWVXPKPAPNM-CQSZACIVSA-N 1 0 331.391 2.991 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCCc2noc(-c3ccccc3)n2)C1 ZINC000095353647 218287371 /nfs/dbraw/zinc/28/73/71/218287371.db2.gz ICEKVICYLLKSDZ-HNNXBMFYSA-N 1 0 342.443 2.517 50 0 EFAARO O=C(NCCCc1ccccn1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095353746 218287438 /nfs/dbraw/zinc/28/74/38/218287438.db2.gz MODJTDFIAHMBQR-MRXNPFEDSA-N 1 0 327.428 2.636 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000095352504 218287473 /nfs/dbraw/zinc/28/74/73/218287473.db2.gz CQZHLNGPPZWVOA-MRXNPFEDSA-N 1 0 344.434 2.604 50 0 EFAARO CCc1nnc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)o1 ZINC000095354872 218288215 /nfs/dbraw/zinc/28/82/15/218288215.db2.gz YVNJARNGSYYIDB-DLBZAZTESA-N 1 0 326.444 2.728 50 0 EFAARO O=C(NCc1ccco1)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000009113096 211041342 /nfs/dbraw/zinc/04/13/42/211041342.db2.gz MEXAAFLVMTWSMJ-UHFFFAOYSA-N 1 0 342.395 2.537 50 0 EFAARO CCn1nc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)c2ccccc21 ZINC000095352322 218285423 /nfs/dbraw/zinc/28/54/23/218285423.db2.gz CLMQLSMBTTWABD-OAHLLOKOSA-N 1 0 328.460 2.937 50 0 EFAARO CCCO[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000095352224 218286202 /nfs/dbraw/zinc/28/62/02/218286202.db2.gz QMHDFTMJIUJKAL-GOSISDBHSA-N 1 0 334.460 2.909 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC000095353123 218287118 /nfs/dbraw/zinc/28/71/18/218287118.db2.gz SFUBEUZMLIAAHO-UHFFFAOYSA-N 1 0 347.478 2.985 50 0 EFAARO CCn1nc(CNC(=O)CC[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000095355387 218289143 /nfs/dbraw/zinc/28/91/43/218289143.db2.gz JEKPBNDKPKSYGP-HNNXBMFYSA-N 1 0 328.460 2.794 50 0 EFAARO O=C(c1ccn(C(F)F)n1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000095358772 218291526 /nfs/dbraw/zinc/29/15/26/218291526.db2.gz OQIWPGSVXMLRHG-ZDUSSCGKSA-N 1 0 326.391 2.759 50 0 EFAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCc2ccc3c(c2)nc(C)n3C)C1 ZINC000095357894 218291545 /nfs/dbraw/zinc/29/15/45/218291545.db2.gz RMVCHHNCYXNTFK-IBGZPJMESA-N 1 0 328.460 2.620 50 0 EFAARO COc1ccc([C@@H]2CN(C(=O)NC(C)C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095359114 218291669 /nfs/dbraw/zinc/29/16/69/218291669.db2.gz IZIDZXHQNCKZQL-IPMKNSEASA-N 1 0 343.471 2.675 50 0 EFAARO CN(CCCc1nccn1C)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095361349 218294759 /nfs/dbraw/zinc/29/47/59/218294759.db2.gz WBEIMDRLZQNGOS-SFHVURJKSA-N 1 0 340.471 2.592 50 0 EFAARO O=C1NCCCc2nc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)[nH]c21 ZINC000095361514 218294795 /nfs/dbraw/zinc/29/47/95/218294795.db2.gz LTVWPQFNGGRMKB-MRXNPFEDSA-N 1 0 338.455 2.508 50 0 EFAARO Cc1cc(C)nc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)n1 ZINC000095364395 218296861 /nfs/dbraw/zinc/29/68/61/218296861.db2.gz VYGBHIJAAHIYAL-UHFFFAOYSA-N 1 0 342.491 2.626 50 0 EFAARO Cc1nc[nH]c1C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC000095375273 218307308 /nfs/dbraw/zinc/30/73/08/218307308.db2.gz AOQOKYGMKPAQAL-KRWDZBQOSA-N 1 0 338.455 2.699 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000095376373 218308531 /nfs/dbraw/zinc/30/85/31/218308531.db2.gz IZMLNABSLIBEPL-MRXNPFEDSA-N 1 0 347.507 2.666 50 0 EFAARO Cc1ccccc1[C@@H](C(=O)NCCNc1cc[nH+]cc1C)N(C)C ZINC000095368396 218301335 /nfs/dbraw/zinc/30/13/35/218301335.db2.gz JGYUUOJQCSEEGI-SFHVURJKSA-N 1 0 326.444 2.529 50 0 EFAARO O=C(CC[N@@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1)N1CCCC1 ZINC000095369078 218301981 /nfs/dbraw/zinc/30/19/81/218301981.db2.gz HHABORBZWVHXNY-GOSISDBHSA-N 1 0 344.503 2.875 50 0 EFAARO O=C(NCCNc1cccnc1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095376474 218308640 /nfs/dbraw/zinc/30/86/40/218308640.db2.gz ARZWJCRXBKYCKK-UHFFFAOYSA-N 1 0 330.476 2.654 50 0 EFAARO Nc1nc(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC000095369731 218302345 /nfs/dbraw/zinc/30/23/45/218302345.db2.gz GZTSXUHSMWBNBC-UHFFFAOYSA-N 1 0 344.484 2.684 50 0 EFAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N[C@@H](CO)c1ccccc1 ZINC000095370839 218303876 /nfs/dbraw/zinc/30/38/76/218303876.db2.gz KEIIRFVGAKTYBX-GBESFXJTSA-N 1 0 330.472 2.881 50 0 EFAARO CN(C)C(=O)c1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)o1 ZINC000095371507 218303904 /nfs/dbraw/zinc/30/39/04/218303904.db2.gz OQFDGMUZCXPFSG-DLBZAZTESA-N 1 0 345.487 2.678 50 0 EFAARO Cc1oc(=O)n(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1C ZINC000095371449 218304218 /nfs/dbraw/zinc/30/42/18/218304218.db2.gz IZNCTWDSUCCCSG-UHFFFAOYSA-N 1 0 349.862 2.924 50 0 EFAARO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)o1 ZINC000095371272 218304487 /nfs/dbraw/zinc/30/44/87/218304487.db2.gz BMJBQMZMKIYUET-MRXNPFEDSA-N 1 0 334.445 2.562 50 0 EFAARO CCCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095371731 218304514 /nfs/dbraw/zinc/30/45/14/218304514.db2.gz AUSREMPJOHUCKS-DFQSSKMNSA-N 1 0 328.456 2.884 50 0 EFAARO CCn1ncnc1[C@H](C)NC(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095371882 218305133 /nfs/dbraw/zinc/30/51/33/218305133.db2.gz AGCBBFTYIGPHHT-AWEZNQCLSA-N 1 0 333.480 2.520 50 0 EFAARO CC[NH+]1CCC(CC(=O)N[C@H](c2ccccn2)C(F)(F)F)CC1 ZINC000095372439 218305476 /nfs/dbraw/zinc/30/54/76/218305476.db2.gz CLPBQAFUCFQDQC-OAHLLOKOSA-N 1 0 329.366 2.923 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCc1nc(-c2ccccc2)no1 ZINC000095373832 218306905 /nfs/dbraw/zinc/30/69/05/218306905.db2.gz KKWMAADREHDFLY-INIZCTEOSA-N 1 0 342.443 2.660 50 0 EFAARO CN(C)c1nc(CNC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)cs1 ZINC000095375683 218309282 /nfs/dbraw/zinc/30/92/82/218309282.db2.gz VGCUKOWRQOFQLB-HNNXBMFYSA-N 1 0 344.484 2.606 50 0 EFAARO CCn1nc(CNC(=O)[C@@]2(C)CCC[N@H+](CC)C2)c2ccccc21 ZINC000095377793 218310712 /nfs/dbraw/zinc/31/07/12/218310712.db2.gz VWCUBGSMNOEDJW-IBGZPJMESA-N 1 0 328.460 2.794 50 0 EFAARO C[N@@H+]1CCC[C@H](CCC(=O)NCc2nc(-c3ccccc3F)no2)C1 ZINC000095380628 218312154 /nfs/dbraw/zinc/31/21/54/218312154.db2.gz WEKDQHLEBVALSO-CYBMUJFWSA-N 1 0 346.406 2.614 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCc2nc(-c3ccccc3F)no2)C1 ZINC000095380629 218312471 /nfs/dbraw/zinc/31/24/71/218312471.db2.gz WEKDQHLEBVALSO-ZDUSSCGKSA-N 1 0 346.406 2.614 50 0 EFAARO CN(CCC[C@@H]1CCCO1)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095381122 218313164 /nfs/dbraw/zinc/31/31/64/218313164.db2.gz JBLLFZZKNHYTHF-QGZVFWFLSA-N 1 0 334.460 2.909 50 0 EFAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCCc2noc(-c3ccccc3)n2)C1 ZINC000095382537 218314474 /nfs/dbraw/zinc/31/44/74/218314474.db2.gz CWOLNHLCGIWIKF-IBGZPJMESA-N 1 0 342.443 2.517 50 0 EFAARO C[C@H]([NH2+]C1CCN(c2nc3ccccc3o2)CC1)c1nnc(N)s1 ZINC000095388194 218320571 /nfs/dbraw/zinc/32/05/71/218320571.db2.gz DFOSLYATMNEVDS-JTQLQIEISA-N 1 0 344.444 2.581 50 0 EFAARO COc1ccc([C@@H]2CN(C(=O)C(C)C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095388917 218320783 /nfs/dbraw/zinc/32/07/83/218320783.db2.gz CRFXZTHGCFEUKK-IPMKNSEASA-N 1 0 328.456 2.740 50 0 EFAARO COCCCN1CC2(CC1=O)CC[NH+](Cc1cc(C(C)C)no1)CC2 ZINC000095383555 218315622 /nfs/dbraw/zinc/31/56/22/218315622.db2.gz CGOHDVXGRQXKIW-UHFFFAOYSA-N 1 0 349.475 2.649 50 0 EFAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCCCc2nc3cc(F)ccc3[nH]2)C1 ZINC000095382972 218315865 /nfs/dbraw/zinc/31/58/65/218315865.db2.gz LUZMXFVNBHGPJA-IBGZPJMESA-N 1 0 346.450 2.873 50 0 EFAARO O=C(NCC1(Cn2cccn2)CC1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095382859 218315978 /nfs/dbraw/zinc/31/59/78/218315978.db2.gz YUZMPJCHOKSEMP-SFHVURJKSA-N 1 0 338.455 2.560 50 0 EFAARO C[N@@H+]1CCC[C@H](CCC(=O)NCCc2nc3c(s2)CCCC3)C1 ZINC000095386657 218318289 /nfs/dbraw/zinc/31/82/89/218318289.db2.gz JEWGNFSSXVDTTJ-CQSZACIVSA-N 1 0 335.517 2.803 50 0 EFAARO O=C(Cc1cccnc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095392138 218324372 /nfs/dbraw/zinc/32/43/72/218324372.db2.gz YLXTUYVVHBRZPA-VQTJNVASSA-N 1 0 335.451 2.747 50 0 EFAARO Cc1nc(-c2nc3cc(C)ccn3c2F)n(C2CC[NH+](C)CC2)n1 ZINC000096153369 218630043 /nfs/dbraw/zinc/63/00/43/218630043.db2.gz SWMCYYIXQLEVFW-UHFFFAOYSA-N 1 0 328.395 2.615 50 0 EFAARO COc1ccnc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000172225781 533042049 /nfs/dbraw/zinc/04/20/49/533042049.db2.gz INLQRLOEJAAFMT-UHFFFAOYSA-N 1 0 339.439 2.527 50 0 EFAARO CC(=O)N(CC[NH+](C)C)c1nc2ccc(Br)cc2s1 ZINC000005115339 210391458 /nfs/dbraw/zinc/39/14/58/210391458.db2.gz ICRCDXHCFBFFFE-UHFFFAOYSA-N 1 0 342.262 2.973 50 0 EFAARO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COc1ccccc1F ZINC000005060507 210379110 /nfs/dbraw/zinc/37/91/10/210379110.db2.gz BRNQLOOQMLTKMX-AWEZNQCLSA-N 1 0 325.424 2.579 50 0 EFAARO C[C@@H](C[NH+]1CCC(C(=O)NC[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000005045736 210373443 /nfs/dbraw/zinc/37/34/43/210373443.db2.gz PJYQXZWPDTULML-LPHOPBHVSA-N 1 0 330.472 2.797 50 0 EFAARO O=C(NC[C@@H]1CCCO1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000005045728 210373158 /nfs/dbraw/zinc/37/31/58/210373158.db2.gz FAZMFTKCIPTXLK-KRWDZBQOSA-N 1 0 336.863 2.847 50 0 EFAARO CC(C)c1ncc(C[N@H+](C)C[C@H]2CC(=O)N(C3CCCC3)C2)cn1 ZINC000097324003 219011753 /nfs/dbraw/zinc/01/17/53/219011753.db2.gz ORZQIGCQOJFURM-OAHLLOKOSA-N 1 0 330.476 2.823 50 0 EFAARO CC(C)c1ncc(C[N@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)cn1 ZINC000097324002 219011947 /nfs/dbraw/zinc/01/19/47/219011947.db2.gz ORZQIGCQOJFURM-HNNXBMFYSA-N 1 0 330.476 2.823 50 0 EFAARO COc1ccc(CN(Cc2ccncc2)C(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000097323858 219012259 /nfs/dbraw/zinc/01/22/59/219012259.db2.gz UWHJJTQJJDGRME-ZWKOTPCHSA-N 1 0 339.439 2.746 50 0 EFAARO Cc1cc(NC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)ccc1Cl ZINC000097334331 219012579 /nfs/dbraw/zinc/01/25/79/219012579.db2.gz KKSQQBNHLMEXDL-MRXNPFEDSA-N 1 0 325.840 2.569 50 0 EFAARO COCC[N@@H+]1CC[C@@H](CN(C)Cc2cn(-c3ccccc3)nc2C)C1 ZINC000097259318 219006326 /nfs/dbraw/zinc/00/63/26/219006326.db2.gz OLOBXZBOYUVOCL-SFHVURJKSA-N 1 0 342.487 2.581 50 0 EFAARO COc1ccc2ccccc2c1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000097259140 219006409 /nfs/dbraw/zinc/00/64/09/219006409.db2.gz DIDUGCSOLHNYPX-GOSISDBHSA-N 1 0 326.440 2.991 50 0 EFAARO Cc1n[nH]c(CCC(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)c1C ZINC000097347375 219014026 /nfs/dbraw/zinc/01/40/26/219014026.db2.gz YHAJIRNIOMKMIG-HNNXBMFYSA-N 1 0 346.500 2.801 50 0 EFAARO CC(C)c1nc(CN2CCCC[C@@H]2CC[NH+]2CCN(C)CC2)co1 ZINC000097468613 219027464 /nfs/dbraw/zinc/02/74/64/219027464.db2.gz YXZFMLBOFKGSCI-GOSISDBHSA-N 1 0 334.508 2.790 50 0 EFAARO COc1ccc(-c2ncc(CN3CC([NH+]4CCCCC4)C3)cn2)cc1 ZINC000097499544 219030452 /nfs/dbraw/zinc/03/04/52/219030452.db2.gz FKWPRGMLSYWHDT-UHFFFAOYSA-N 1 0 338.455 2.822 50 0 EFAARO Cn1ccnc1C1CCN(C(=O)C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000097505876 219031165 /nfs/dbraw/zinc/03/11/65/219031165.db2.gz RRPKZMZNRQCWKO-UHFFFAOYSA-N 1 0 344.503 2.781 50 0 EFAARO Cc1ccccc1-c1ncc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000097528919 219033716 /nfs/dbraw/zinc/03/37/16/219033716.db2.gz VSWAVURUKPSACU-MRXNPFEDSA-N 1 0 342.512 2.598 50 0 EFAARO O=C([C@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1)N1CCCCC1 ZINC000004746250 210268511 /nfs/dbraw/zinc/26/85/11/210268511.db2.gz XTPRYRMZFUZEGJ-INIZCTEOSA-N 1 0 330.428 2.640 50 0 EFAARO C[C@H](c1ccc(C(=O)NCCC(=O)N2CCCC2)o1)[NH+]1CCCCC1 ZINC000097551225 219034865 /nfs/dbraw/zinc/03/48/65/219034865.db2.gz JQCPUTGQRJNNJF-OAHLLOKOSA-N 1 0 347.459 2.569 50 0 EFAARO OC[C@H]1CN(c2ncccc2C(F)(F)F)C[C@H]1C[NH+]1CCCCC1 ZINC000092066748 285293403 /nfs/dbraw/zinc/29/34/03/285293403.db2.gz HPBGVHLLXYTMPH-ZIAGYGMSSA-N 1 0 343.393 2.631 50 0 EFAARO C[NH+](C)CCCNC(=O)N1CCC[C@H](COc2cccc(F)c2)C1 ZINC000426550686 257963570 /nfs/dbraw/zinc/96/35/70/257963570.db2.gz VJGPKGCDDYVTOR-HNNXBMFYSA-N 1 0 337.439 2.578 50 0 EFAARO CCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1cc(OC)no1 ZINC000334160370 258016338 /nfs/dbraw/zinc/01/63/38/258016338.db2.gz CFXAXNUAESJSEE-DOTOQJQBSA-N 1 0 349.475 2.729 50 0 EFAARO CCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1cc(OC)no1 ZINC000334160371 258016443 /nfs/dbraw/zinc/01/64/43/258016443.db2.gz CFXAXNUAESJSEE-NVXWUHKLSA-N 1 0 349.475 2.729 50 0 EFAARO CCC(=O)NCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299771642 258084093 /nfs/dbraw/zinc/08/40/93/258084093.db2.gz VFSANJXZXBICSO-XHSDSOJGSA-N 1 0 340.427 2.789 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000299772407 258084754 /nfs/dbraw/zinc/08/47/54/258084754.db2.gz WMOKSPHRNGNGDV-CQSZACIVSA-N 1 0 348.834 2.533 50 0 EFAARO C[N@@H+]1CCCC[C@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000299772406 258084816 /nfs/dbraw/zinc/08/48/16/258084816.db2.gz WMOKSPHRNGNGDV-AWEZNQCLSA-N 1 0 348.834 2.533 50 0 EFAARO Cc1ccccc1-c1ccccc1C(=O)N1CCN2CC[N@@H+](C)C[C@@H]2C1 ZINC000299773498 258085276 /nfs/dbraw/zinc/08/52/76/258085276.db2.gz DEXCBCVFJPMUBN-GOSISDBHSA-N 1 0 349.478 2.734 50 0 EFAARO C[NH+](C)Cc1ccc(-c2cccc(C(=O)NCCc3cn[nH]c3)c2)nc1 ZINC000299780252 258089622 /nfs/dbraw/zinc/08/96/22/258089622.db2.gz ACGVUMIFZKDKTK-UHFFFAOYSA-N 1 0 349.438 2.506 50 0 EFAARO CO[C@]12CC[N@H+](Cc3c[nH]nc3C3CCCCC3)[C@H]1C[C@@H](O)CC2 ZINC000299780132 258089705 /nfs/dbraw/zinc/08/97/05/258089705.db2.gz ACZCAQFQMAHWJH-JENIJYKNSA-N 1 0 333.476 2.962 50 0 EFAARO O=C(NCc1cc2n(n1)CC[N@H+](CC1CCCCC1)C2)C1CCC1 ZINC000299783600 258091833 /nfs/dbraw/zinc/09/18/33/258091833.db2.gz WMZRKGAGDDQAOG-UHFFFAOYSA-N 1 0 330.476 2.695 50 0 EFAARO Cc1ccc(C)c2c(=O)cc(C[N@@H+](C)CC3(CO)CCOCC3)[nH]c12 ZINC000299785139 258092523 /nfs/dbraw/zinc/09/25/23/258092523.db2.gz JUZLYDALEFWFFZ-UHFFFAOYSA-N 1 0 344.455 2.778 50 0 EFAARO Cc1nnc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)s1 ZINC000299786936 258093566 /nfs/dbraw/zinc/09/35/66/258093566.db2.gz OHAMHPSDUYOYJF-UHFFFAOYSA-N 1 0 328.485 2.522 50 0 EFAARO CCc1ocnc1C(=O)NCC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000299787073 258093943 /nfs/dbraw/zinc/09/39/43/258093943.db2.gz VECHNBDVAWTEIJ-UHFFFAOYSA-N 1 0 331.416 2.780 50 0 EFAARO CSc1ccccc1C(=O)N1CCC2(CC1)C[N@H+](C)CCCN2C ZINC000299789243 258095421 /nfs/dbraw/zinc/09/54/21/258095421.db2.gz VJSHMTSUUHDBPA-UHFFFAOYSA-N 1 0 347.528 2.651 50 0 EFAARO c1c(CNc2cnccn2)nn2c1C[N@H+](CCCc1ccccc1)CC2 ZINC000299789488 258095482 /nfs/dbraw/zinc/09/54/82/258095482.db2.gz VTFWYRLSEAGCRW-UHFFFAOYSA-N 1 0 348.454 2.734 50 0 EFAARO Cc1ccc(-c2ccc(NC(=O)NC[C@]3(O)CC[NH2+]C3)cc2)cc1 ZINC000299790756 258096331 /nfs/dbraw/zinc/09/63/31/258096331.db2.gz CHNRDPRSKZSGNP-IBGZPJMESA-N 1 0 325.412 2.508 50 0 EFAARO CC(C)Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)s1 ZINC000299793655 258098527 /nfs/dbraw/zinc/09/85/27/258098527.db2.gz HALOISDWUIGDNP-IRXDYDNUSA-N 1 0 332.473 2.884 50 0 EFAARO CC(C)c1cc(CN(C)C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)on1 ZINC000299801101 258104334 /nfs/dbraw/zinc/10/43/34/258104334.db2.gz XXHLJSINMNKVAV-MRXNPFEDSA-N 1 0 340.427 2.808 50 0 EFAARO COc1cccc([C@@H]2CN(c3ncccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072161231 258064506 /nfs/dbraw/zinc/06/45/06/258064506.db2.gz OQDGIFYKBAFZHQ-IPMKNSEASA-N 1 0 336.439 2.552 50 0 EFAARO Cc1[nH]c2c(cccc2C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1C ZINC000096164978 258067717 /nfs/dbraw/zinc/06/77/17/258067717.db2.gz PMWOEQBZELHRPX-INIZCTEOSA-N 1 0 343.471 2.968 50 0 EFAARO Cc1cc(CC(=O)N(C)CC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000299755426 258074236 /nfs/dbraw/zinc/07/42/36/258074236.db2.gz CMTYSWFVLYBDMA-UHFFFAOYSA-N 1 0 341.455 2.896 50 0 EFAARO Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cc(C)ccc1OCC[NH3+] ZINC000299757145 258075455 /nfs/dbraw/zinc/07/54/55/258075455.db2.gz NELWRSWDMWMAJD-AWEZNQCLSA-N 1 0 330.432 2.506 50 0 EFAARO COCC[N@@H+]1CCC[C@H](CN(C)C(=O)Nc2ccc(C)c(OC)c2)C1 ZINC000299758522 258076351 /nfs/dbraw/zinc/07/63/51/258076351.db2.gz MGBSWZDCNIQFPZ-MRXNPFEDSA-N 1 0 349.475 2.826 50 0 EFAARO COc1ccc(C[NH2+]Cc2cccnc2)cc1OC[C@H]1CCOC1 ZINC000299760222 258077494 /nfs/dbraw/zinc/07/74/94/258077494.db2.gz SXEHEGCIRGIFDK-KRWDZBQOSA-N 1 0 328.412 2.795 50 0 EFAARO Cn1ccnc1[C@H](NC(=O)CC[NH+]1CCCCCC1)c1ccccc1 ZINC000299764819 258080070 /nfs/dbraw/zinc/08/00/70/258080070.db2.gz MJGSTDZHRHFBEA-LJQANCHMSA-N 1 0 340.471 2.892 50 0 EFAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3sc(N)nc3C)CC2)o1 ZINC000299767029 258081731 /nfs/dbraw/zinc/08/17/31/258081731.db2.gz AVRPSENEXDPFEY-UHFFFAOYSA-N 1 0 348.472 2.577 50 0 EFAARO COC[C@H](Nc1cc(C)[nH+]c(N2CCCCC2)n1)c1ccccn1 ZINC000065500178 132810419 /nfs/dbraw/zinc/81/04/19/132810419.db2.gz PTCMGMDGTJUBPH-INIZCTEOSA-N 1 0 327.432 2.970 50 0 EFAARO c1ccc2c(c1)cccc2-c1cnnc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000012753497 135697937 /nfs/dbraw/zinc/69/79/37/135697937.db2.gz WXSIOSJTFNCPTJ-MRXNPFEDSA-N 1 0 331.423 2.976 50 0 EFAARO Cc1ccc([C@@H](C(=O)N2CCC3(C2)CC[NH+](C)CC3)N(C)C)cc1 ZINC000095375407 292190090 /nfs/dbraw/zinc/19/00/90/292190090.db2.gz CCHRTUAQPMZURO-SFHVURJKSA-N 1 0 329.488 2.542 50 0 EFAARO COc1ccc(-n2nnnc2C2([NH+]3CCCCC3)CCCC2)cc1 ZINC000035622421 286266198 /nfs/dbraw/zinc/26/61/98/286266198.db2.gz BKRBGPAAYHTGBS-UHFFFAOYSA-N 1 0 327.432 2.926 50 0 EFAARO COCC[NH+](CCOC)Cc1c(C)[nH]c2ccc(Cl)cc2c1=O ZINC000095661420 292488792 /nfs/dbraw/zinc/48/87/92/292488792.db2.gz SALXNKZOPDZQTK-UHFFFAOYSA-N 1 0 338.835 2.585 50 0 EFAARO C[NH+](C)CCSc1nc2sc3c(c2c2ncnn21)CCCC3 ZINC000005518060 544421838 /nfs/dbraw/zinc/42/18/38/544421838.db2.gz VHBZWLBVGGOSLQ-UHFFFAOYSA-N 1 0 333.486 2.872 50 0 EFAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(OC)c1 ZINC000005675600 272960766 /nfs/dbraw/zinc/96/07/66/272960766.db2.gz DUBLLWSLOXJTJY-UHFFFAOYSA-N 1 0 346.471 2.928 50 0 EFAARO CC(=O)NC1=NC2=[NH+]C(c3ccccc3)=C[C@H](c3ccc(F)cc3)N2N1 ZINC000013127679 273492371 /nfs/dbraw/zinc/49/23/71/273492371.db2.gz RAJMFTOCXIHJQF-QGZVFWFLSA-N 1 0 349.369 2.590 50 0 EFAARO CN1CC[NH+](C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000020220136 273896688 /nfs/dbraw/zinc/89/66/88/273896688.db2.gz OTDLWHAQWPZHRA-UHFFFAOYSA-N 1 0 341.421 2.917 50 0 EFAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3cccc(SC)c3)C2)C1=O ZINC000012431046 274027528 /nfs/dbraw/zinc/02/75/28/274027528.db2.gz QQBULNQUBJVKTK-IBGZPJMESA-N 1 0 348.512 2.869 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCCN(C)C3=O)CCC2 ZINC000091665561 274100976 /nfs/dbraw/zinc/10/09/76/274100976.db2.gz CUTMYLMRTMYQRI-HXUWFJFHSA-N 1 0 328.456 2.628 50 0 EFAARO COc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000010017945 274116091 /nfs/dbraw/zinc/11/60/91/274116091.db2.gz NNSXUUNXKKGQFN-IBGZPJMESA-N 1 0 342.439 2.802 50 0 EFAARO COc1ccc2c(c1)c([C@@H]1NC(=[NH2+])Nc3nc4ccccc4n31)cn2C ZINC000004623179 274139958 /nfs/dbraw/zinc/13/99/58/274139958.db2.gz FIZWMCLQSFCKDM-QGZVFWFLSA-N 1 0 346.394 2.633 50 0 EFAARO C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@]1(O)C1CCC1 ZINC000091441609 274331346 /nfs/dbraw/zinc/33/13/46/274331346.db2.gz KAGFOZRJENYWEK-IERDGZPVSA-N 1 0 342.483 2.906 50 0 EFAARO O=C1NCN(c2ccccc2)[C@@]12CCC[N@H+](CCc1ccccc1)C2 ZINC000004709236 275023963 /nfs/dbraw/zinc/02/39/63/275023963.db2.gz JXDTXVMMITZPOQ-OAQYLSRUSA-N 1 0 335.451 2.658 50 0 EFAARO c1ccc(C[N@H+]2CCC[C@@H]2CN2CCN(c3ccccn3)CC2)cc1 ZINC000244773770 275066991 /nfs/dbraw/zinc/06/69/91/275066991.db2.gz PGDHITUDOJKWCG-HXUWFJFHSA-N 1 0 336.483 2.868 50 0 EFAARO c1csc(C[N@@H+]2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)n1 ZINC000011817298 275074730 /nfs/dbraw/zinc/07/47/30/275074730.db2.gz BMGNTJFNNTVQAL-OAHLLOKOSA-N 1 0 329.473 2.672 50 0 EFAARO CC[NH+](CC)CCn1ccnc1-c1cc2ccc(F)cc2[nH]c1=O ZINC000067675427 276101964 /nfs/dbraw/zinc/10/19/64/276101964.db2.gz DNBUEWNRQNHSIU-UHFFFAOYSA-N 1 0 328.391 2.873 50 0 EFAARO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]C3CCCCCC3)C2=O)cc1 ZINC000019022525 277077344 /nfs/dbraw/zinc/07/73/44/277077344.db2.gz BNJCTVOXQGPBNU-KRWDZBQOSA-N 1 0 343.427 2.589 50 0 EFAARO CC(=O)c1ccccc1C(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000082106469 277115401 /nfs/dbraw/zinc/11/54/01/277115401.db2.gz BOYHTFMGMNWHSW-UHFFFAOYSA-N 1 0 337.423 2.945 50 0 EFAARO COCCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000096180868 277208095 /nfs/dbraw/zinc/20/80/95/277208095.db2.gz UIWKIPANPAHCIF-GFCCVEGCSA-N 1 0 343.830 2.959 50 0 EFAARO CC(C)Cc1cc(C(=O)N(C)[C@@H](C[NH+](C)C)c2ccccc2)n(C)n1 ZINC000082156299 277511326 /nfs/dbraw/zinc/51/13/26/277511326.db2.gz WRHOCHNGYKVABN-IBGZPJMESA-N 1 0 342.487 2.994 50 0 EFAARO CC(C)Cn1c2ccccc2nc1CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072436335 277516523 /nfs/dbraw/zinc/51/65/23/277516523.db2.gz WMKGMTRASQWFMR-FQEVSTJZSA-N 1 0 344.503 2.581 50 0 EFAARO CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@H]([NH2+]C2CCCC2)C1 ZINC000011879507 278398307 /nfs/dbraw/zinc/39/83/07/278398307.db2.gz LMWOEBCWOGAIJE-QGZVFWFLSA-N 1 0 344.503 2.983 50 0 EFAARO Cc1nn(C)c2nc(C)nc(N3CCC([C@@H](C)[NH+]4CCCC4)CC3)c12 ZINC000072463600 279207307 /nfs/dbraw/zinc/20/73/07/279207307.db2.gz ADZKNNSEAPOFCD-CQSZACIVSA-N 1 0 342.491 2.681 50 0 EFAARO CC(C)N(C(=O)c1ccccc1-c1nc2c([nH]1)C[NH2+]CC2)C(C)C ZINC000095379952 279315674 /nfs/dbraw/zinc/31/56/74/279315674.db2.gz FCFUPLQARHVKHZ-UHFFFAOYSA-N 1 0 326.444 2.981 50 0 EFAARO O=C(CCn1cc(Cl)cn1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000091486927 279759910 /nfs/dbraw/zinc/75/99/10/279759910.db2.gz IEYTXDYKUIITKA-MRXNPFEDSA-N 1 0 338.883 2.794 50 0 EFAARO Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=[NH+][C@@H]2[C@@H]1CC=CCC1 ZINC000010385397 280305295 /nfs/dbraw/zinc/30/52/95/280305295.db2.gz NDSXEAOGJROIBK-ZBFHGGJFSA-N 1 0 327.432 2.674 50 0 EFAARO Cc1cc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)sc1-c1ccccc1 ZINC000072120779 280335279 /nfs/dbraw/zinc/33/52/79/280335279.db2.gz KZYIIJJNLZZLKM-LJQANCHMSA-N 1 0 344.480 2.862 50 0 EFAARO Cc1cc(N2CCCN(C(=O)[C@H]3CCCO3)CC2)c2ccccc2[nH+]1 ZINC000361815738 280549232 /nfs/dbraw/zinc/54/92/32/280549232.db2.gz SSUOVBPZALJREV-LJQANCHMSA-N 1 0 339.439 2.761 50 0 EFAARO Cc1ccc([C@@H]2CN(CC(=O)N3CCCCCC3)C[C@H]2[NH+](C)C)cc1 ZINC000077428585 280962023 /nfs/dbraw/zinc/96/20/23/280962023.db2.gz JYKJKHRYVOZMCQ-VQTJNVASSA-N 1 0 343.515 2.727 50 0 EFAARO Cc1ccc2c(C)cc(N3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)nc2c1C ZINC000095368292 281042276 /nfs/dbraw/zinc/04/22/76/281042276.db2.gz ONDQNBYNRXIOTK-JXFKEZNVSA-N 1 0 325.456 2.711 50 0 EFAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH2+]C[C@@H]2CCCO2)CCCC1 ZINC000000571519 281130243 /nfs/dbraw/zinc/13/02/43/281130243.db2.gz PQWLICSTABIMFW-IRXDYDNUSA-N 1 0 342.483 2.958 50 0 EFAARO Cc1ccccc1N1CCC([N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)CC1 ZINC000091895883 281346766 /nfs/dbraw/zinc/34/67/66/281346766.db2.gz GDMJZQJQQFEMJI-NRFANRHFSA-N 1 0 341.499 2.908 50 0 EFAARO Cc1cnc(C)c(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)n1 ZINC000095497376 281582052 /nfs/dbraw/zinc/58/20/52/281582052.db2.gz ZYLGNFOGSDYKEO-QGZVFWFLSA-N 1 0 342.491 2.626 50 0 EFAARO Cc1nc2c(c(N(C)Cc3cccnc3Cl)n1)CC[N@H+](C)CC2 ZINC000065530084 282008406 /nfs/dbraw/zinc/00/84/06/282008406.db2.gz ZXHNMAPDCIAWHE-UHFFFAOYSA-N 1 0 331.851 2.500 50 0 EFAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)Cn2cccn2)cc1 ZINC000077489564 289224771 /nfs/dbraw/zinc/22/47/71/289224771.db2.gz UORNCMHMYNBHSF-GOSISDBHSA-N 1 0 326.444 2.699 50 0 EFAARO [NH3+]C1(C(=O)N2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)CCC1 ZINC000067955278 303354343 /nfs/dbraw/zinc/35/43/43/303354343.db2.gz YIWGYZGHWOWXGB-MRXNPFEDSA-N 1 0 338.455 2.588 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2cccc(Cl)c2)nn1C ZINC000095476001 473211428 /nfs/dbraw/zinc/21/14/28/473211428.db2.gz YNXOUDNCMVYBNP-OAHLLOKOSA-N 1 0 346.862 2.955 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1ccn2CCOC ZINC000095476997 473211640 /nfs/dbraw/zinc/21/16/40/473211640.db2.gz VMIQPDVORLYURC-OAHLLOKOSA-N 1 0 329.444 2.502 50 0 EFAARO Cn1cnnc1C1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095497913 473213696 /nfs/dbraw/zinc/21/36/96/473213696.db2.gz DLEUBTDOWVBLDE-HNNXBMFYSA-N 1 0 326.444 2.636 50 0 EFAARO [NH3+][C@H](C(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1)C1CCCCC1 ZINC000095503560 473214842 /nfs/dbraw/zinc/21/48/42/473214842.db2.gz BSULVAPLOSMJGW-SFHVURJKSA-N 1 0 338.455 2.869 50 0 EFAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1cc(-c2ccccc2F)no1 ZINC000095501152 473214862 /nfs/dbraw/zinc/21/48/62/473214862.db2.gz QMDGNHLWPCZQBZ-KRWDZBQOSA-N 1 0 331.391 2.971 50 0 EFAARO CCOCc1nc([C@H]2CCC[N@H+](C)C2)n(CCc2ccccc2)n1 ZINC000095504852 473215932 /nfs/dbraw/zinc/21/59/32/473215932.db2.gz DYAJCCHVEFRANE-KRWDZBQOSA-N 1 0 328.460 2.867 50 0 EFAARO COc1cc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)ccn1 ZINC000095512550 473218284 /nfs/dbraw/zinc/21/82/84/473218284.db2.gz MLMLDIRIIZUOOC-ZWKOTPCHSA-N 1 0 339.439 2.568 50 0 EFAARO Cc1nn(C)c2nc(N3CC[N@H+](C)C[C@@H]3c3ccccc3)sc12 ZINC000095518600 473219205 /nfs/dbraw/zinc/21/92/05/473219205.db2.gz ZDWPUIBQGSCIFR-CQSZACIVSA-N 1 0 327.457 2.831 50 0 EFAARO O=C(c1ccc2c(c1)CCO2)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095525354 473219964 /nfs/dbraw/zinc/21/99/64/473219964.db2.gz VEODJMJLYJSSTQ-CRAIPNDOSA-N 1 0 326.440 2.568 50 0 EFAARO C[N@H+](Cc1nc2cc(F)ccc2[nH]1)C1CCN(c2ncccn2)CC1 ZINC000095524976 473220324 /nfs/dbraw/zinc/22/03/24/473220324.db2.gz PFHRUYRAMOLWLR-UHFFFAOYSA-N 1 0 340.406 2.593 50 0 EFAARO COc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 ZINC000138655837 473222253 /nfs/dbraw/zinc/22/22/53/473222253.db2.gz CJFDXPGKFHZRJB-GFOFROLCSA-N 1 0 330.428 2.741 50 0 EFAARO [NH3+][C@H]1CCCCN(c2nnnn2-c2ccc(-c3ccccc3)cc2)C1 ZINC000082083773 473286222 /nfs/dbraw/zinc/28/62/22/473286222.db2.gz BYAGKQVMHRKOPA-KRWDZBQOSA-N 1 0 334.427 2.647 50 0 EFAARO Cc1nc(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)sc1Cl ZINC000082097437 473287192 /nfs/dbraw/zinc/28/71/92/473287192.db2.gz ASLTYADDRSHHKW-LBPRGKRZSA-N 1 0 330.881 2.965 50 0 EFAARO [NH3+]C[C@H]1CCCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 ZINC000082099715 473289124 /nfs/dbraw/zinc/28/91/24/473289124.db2.gz XRAYMUQSBFLPFL-OAHLLOKOSA-N 1 0 334.423 2.812 50 0 EFAARO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 ZINC000082099718 473289414 /nfs/dbraw/zinc/28/94/14/473289414.db2.gz XRAYMUQSBFLPFL-HNNXBMFYSA-N 1 0 334.423 2.812 50 0 EFAARO CCn1c(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)nc2ccccc21 ZINC000082109289 473291198 /nfs/dbraw/zinc/29/11/98/473291198.db2.gz RTAZLUMOAAZBSI-INIZCTEOSA-N 1 0 343.471 2.917 50 0 EFAARO C[NH2+][C@H](C(=O)N1CC(Oc2ccccc2Cl)C1)c1ccccc1 ZINC000082120955 473292850 /nfs/dbraw/zinc/29/28/50/473292850.db2.gz OKIIQNRDAUYLBY-KRWDZBQOSA-N 1 0 330.815 2.890 50 0 EFAARO Cc1ccc(C2(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CC2)cc1 ZINC000082126443 473294332 /nfs/dbraw/zinc/29/43/32/473294332.db2.gz YDJINUUVTBACRP-UHFFFAOYSA-N 1 0 342.483 2.597 50 0 EFAARO Cc1cc(N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000082161128 473297998 /nfs/dbraw/zinc/29/79/98/473297998.db2.gz MWCBBUAELBUYMT-QGZVFWFLSA-N 1 0 348.454 2.996 50 0 EFAARO Cc1noc(C)c1CCC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000082156812 473298237 /nfs/dbraw/zinc/29/82/37/473298237.db2.gz ALBOHCBISDBOER-UHFFFAOYSA-N 1 0 342.443 2.666 50 0 EFAARO O=C(NCC[NH+]1CCCCC1)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000096140245 473312443 /nfs/dbraw/zinc/31/24/43/473312443.db2.gz SDMKLTVUJXGSMV-UHFFFAOYSA-N 1 0 348.838 2.528 50 0 EFAARO Cc1nn(C)c2nc(N[C@H]3CCC[N@H+](Cc4cccnc4)C3)sc12 ZINC000096142213 473312643 /nfs/dbraw/zinc/31/26/43/473312643.db2.gz GKZIJJMBNYEGAS-AWEZNQCLSA-N 1 0 342.472 2.810 50 0 EFAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)Cc2cscn2)C1 ZINC000096141215 473313281 /nfs/dbraw/zinc/31/32/81/473313281.db2.gz AGPYFDIYFHXPHH-HNNXBMFYSA-N 1 0 329.469 2.632 50 0 EFAARO Cc1ccc(-c2cc(-c3nc(CC4CC[NH+](C)CC4)no3)n[nH]2)o1 ZINC000096147964 473314404 /nfs/dbraw/zinc/31/44/04/473314404.db2.gz MMLRIMFTEVWGRL-UHFFFAOYSA-N 1 0 327.388 2.912 50 0 EFAARO C[C@@H](c1nc(-c2ccncc2)nn1CCO)[N@H+](C)C1CCCCC1 ZINC000096148095 473314715 /nfs/dbraw/zinc/31/47/15/473314715.db2.gz KUMQISDHIYILNR-AWEZNQCLSA-N 1 0 329.448 2.658 50 0 EFAARO COCCc1nc(C[C@H]2CCCC[N@@H+]2C)n(CCc2ccccc2)n1 ZINC000096148039 473315146 /nfs/dbraw/zinc/31/51/46/473315146.db2.gz CDSTYABWBCNRAI-GOSISDBHSA-N 1 0 342.487 2.737 50 0 EFAARO C[C@H](c1ccc(-c2cccc(OCC(N)=O)c2)cc1)[NH+]1CCOCC1 ZINC000096152039 473316557 /nfs/dbraw/zinc/31/65/57/473316557.db2.gz IBCAXYXZTYEZHG-OAHLLOKOSA-N 1 0 340.423 2.611 50 0 EFAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1n[nH]c2c1CCCC2 ZINC000096163464 473321965 /nfs/dbraw/zinc/32/19/65/473321965.db2.gz AJTAPRYLAQKSQM-MRXNPFEDSA-N 1 0 338.455 2.508 50 0 EFAARO CSCC[NH+]1CCC(Nc2nc3c(s2)c(C)nn3C)CC1 ZINC000096180512 473322484 /nfs/dbraw/zinc/32/24/84/473322484.db2.gz SHVMXEYAIDCQDE-UHFFFAOYSA-N 1 0 325.507 2.578 50 0 EFAARO Cc1nc(CC(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000096167042 473323239 /nfs/dbraw/zinc/32/32/39/473323239.db2.gz OJYFPNCKJOGXPK-ZDUSSCGKSA-N 1 0 335.498 2.836 50 0 EFAARO CCOC(=O)c1cnn(CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000083351202 473339971 /nfs/dbraw/zinc/33/99/71/473339971.db2.gz KLSLTMBETJBRPR-UHFFFAOYSA-N 1 0 327.428 2.972 50 0 EFAARO O=C(CCc1ccc2c(c1)CCO2)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096343860 473375350 /nfs/dbraw/zinc/37/53/50/473375350.db2.gz UHDLBSVWLKMWNJ-RTBURBONSA-N 1 0 342.483 2.935 50 0 EFAARO CCOC(=O)c1cnc2ccc(OCC)cc2c1NCC[NH+](C)C ZINC000000071821 471319527 /nfs/dbraw/zinc/31/95/27/471319527.db2.gz ONMQZLLJOTZRKH-UHFFFAOYSA-N 1 0 331.416 2.784 50 0 EFAARO CC(C)CC(=O)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000000105527 471323935 /nfs/dbraw/zinc/32/39/35/471323935.db2.gz BZEXPZVKBGUTEG-UHFFFAOYSA-N 1 0 343.515 2.841 50 0 EFAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000000176513 471331010 /nfs/dbraw/zinc/33/10/10/471331010.db2.gz QFGWNMBGXWSTTM-UHFFFAOYSA-N 1 0 338.835 2.944 50 0 EFAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc(C)ccc2OC)C1 ZINC000000254513 471339748 /nfs/dbraw/zinc/33/97/48/471339748.db2.gz MXBRIHIXJIKSHK-HNNXBMFYSA-N 1 0 348.443 2.607 50 0 EFAARO CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H]([NH+]2CCCCC2)[C@H]1O ZINC000000293718 471344053 /nfs/dbraw/zinc/34/40/53/471344053.db2.gz HZFAZVKVQKOGJZ-FUHWJXTLSA-N 1 0 329.396 2.852 50 0 biogenic EFAARO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000000317563 471346874 /nfs/dbraw/zinc/34/68/74/471346874.db2.gz HYRHYHLBFXEDCZ-OAHLLOKOSA-N 1 0 344.455 2.886 50 0 EFAARO CC[NH+]1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1 ZINC000000468669 471363576 /nfs/dbraw/zinc/36/35/76/471363576.db2.gz QDYPJKCCLPSRKO-UHFFFAOYSA-N 1 0 342.834 2.611 50 0 EFAARO COc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000000556328 471370892 /nfs/dbraw/zinc/37/08/92/471370892.db2.gz UTEFTXDPDDNWJD-UHFFFAOYSA-N 1 0 325.412 2.699 50 0 EFAARO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000000757676 471374713 /nfs/dbraw/zinc/37/47/13/471374713.db2.gz DLSAKBCKYGKSDB-LJQANCHMSA-N 1 0 344.499 2.969 50 0 EFAARO CC[C@]1(C)C[C@@](O)(CC[NH2+]Cc2ccc(OC)c(OC)c2)CCO1 ZINC000001774011 471397843 /nfs/dbraw/zinc/39/78/43/471397843.db2.gz LYWNZVLBDLLGAO-RTBURBONSA-N 1 0 337.460 2.894 50 0 biogenic EFAARO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2ccccc2Cl)CC1 ZINC000002228928 471403490 /nfs/dbraw/zinc/40/34/90/471403490.db2.gz KYBLETXRWFZIMH-UHFFFAOYSA-N 1 0 335.879 2.646 50 0 EFAARO CCCc1nc2oc3c(ncnc3NCC[NH3+])c2c2c1CCCC2 ZINC000002438466 471407902 /nfs/dbraw/zinc/40/79/02/471407902.db2.gz FRLVVMJDZXXETI-UHFFFAOYSA-N 1 0 325.416 2.973 50 0 EFAARO CCOC(=O)C1CC[NH+](C[C@@H](O)CO[C@H](CC)c2ccccc2)CC1 ZINC000002694604 471416486 /nfs/dbraw/zinc/41/64/86/471416486.db2.gz CKONUNUKDQTABY-RTBURBONSA-N 1 0 349.471 2.790 50 0 EFAARO COc1ccc(NC(=O)CC[N@H+](CCO)Cc2ccccc2)cc1 ZINC000002765114 471420319 /nfs/dbraw/zinc/42/03/19/471420319.db2.gz MOCCXTPJFYESMV-UHFFFAOYSA-N 1 0 328.412 2.518 50 0 EFAARO O=C(NC(=S)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000002869027 471426938 /nfs/dbraw/zinc/42/69/38/471426938.db2.gz VNLJKDIKAVYCCM-UHFFFAOYSA-N 1 0 331.485 2.652 50 0 EFAARO CCOC(=O)c1sc2ncnc(NCC[NH+](CC)CC)c2c1C ZINC000002886984 471427788 /nfs/dbraw/zinc/42/77/88/471427788.db2.gz IWBDUSNGAQKJKC-UHFFFAOYSA-N 1 0 336.461 2.930 50 0 EFAARO CCOc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000003219956 471436246 /nfs/dbraw/zinc/43/62/46/471436246.db2.gz MOOQJTURCNUBDA-MRXNPFEDSA-N 1 0 337.383 2.540 50 0 EFAARO Cc1ccc(OCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000004385382 471463978 /nfs/dbraw/zinc/46/39/78/471463978.db2.gz WWVZWKLVKPXGTM-UHFFFAOYSA-N 1 0 339.439 2.764 50 0 EFAARO O=C1C[C@@H]([C@H]2CCCC=C2[NH+]2CCOCC2)C(=O)N1C1CCCCC1 ZINC000005015739 471483072 /nfs/dbraw/zinc/48/30/72/471483072.db2.gz MXERHNYIYPIRJW-SJORKVTESA-N 1 0 346.471 2.710 50 0 EFAARO Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000005217107 471492649 /nfs/dbraw/zinc/49/26/49/471492649.db2.gz WXZVVEKZXQGEAG-LBPRGKRZSA-N 1 0 332.429 2.842 50 0 EFAARO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000005253734 471494929 /nfs/dbraw/zinc/49/49/29/471494929.db2.gz XFBBRDRLWNQMNT-CYBMUJFWSA-N 1 0 343.427 2.933 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@H]3CC)C2=O)cc1 ZINC000006500115 471547597 /nfs/dbraw/zinc/54/75/97/471547597.db2.gz DEYMRGFPFBMRFM-PBHICJAKSA-N 1 0 330.428 2.982 50 0 EFAARO CC[NH+](CC)CCn1cnc2c(c(C)c(C)n2-c2cccnc2)c1=N ZINC000006672175 471558277 /nfs/dbraw/zinc/55/82/77/471558277.db2.gz MNBXJUOYIJZQJQ-UHFFFAOYSA-N 1 0 338.459 2.660 50 0 EFAARO C[NH+](C)CCCn1cnc2c3cc(Br)ccc3[nH]c2c1=O ZINC000006669572 471558362 /nfs/dbraw/zinc/55/83/62/471558362.db2.gz ZYRNACCFGQKPCT-UHFFFAOYSA-N 1 0 349.232 2.592 50 0 EFAARO CC[NH+](CC)CCNc1cc(C)nc2c3c(nn21)nc(C)cc3C ZINC000006759139 471566541 /nfs/dbraw/zinc/56/65/41/471566541.db2.gz LFPRCIYJGDYRTH-UHFFFAOYSA-N 1 0 326.448 2.956 50 0 EFAARO CCC[NH+]1CCC2(C[C@H]2C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000012456389 471776277 /nfs/dbraw/zinc/77/62/77/471776277.db2.gz VQHOOZJRDZYEHG-IBGZPJMESA-N 1 0 341.499 2.847 50 0 EFAARO CC[NH+](CC)CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000012580723 471784422 /nfs/dbraw/zinc/78/44/22/471784422.db2.gz NMGVKGIASCLFHD-QGZVFWFLSA-N 1 0 335.467 2.590 50 0 EFAARO CC(C)(C)CN1CCC[C@](O)(C[NH2+]Cc2cccc3[nH]ccc32)C1=O ZINC000012597276 471784982 /nfs/dbraw/zinc/78/49/82/471784982.db2.gz UMQAWTREGYKHEX-FQEVSTJZSA-N 1 0 343.471 2.657 50 0 EFAARO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000012747317 471793125 /nfs/dbraw/zinc/79/31/25/471793125.db2.gz BZYCVBKFRXWVAW-QGZVFWFLSA-N 1 0 344.455 2.601 50 0 EFAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1cc(C2CC2)on1 ZINC000012836248 471800340 /nfs/dbraw/zinc/80/03/40/471800340.db2.gz QDVFAUQXUGXUCE-QGZVFWFLSA-N 1 0 339.439 2.989 50 0 EFAARO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000013646210 471836213 /nfs/dbraw/zinc/83/62/13/471836213.db2.gz IMDXZELLAHADLO-OAHLLOKOSA-N 1 0 328.453 2.759 50 0 EFAARO O=S(=O)(Cc1ccc(Cl)cc1)NCCC[NH+]1CCCCC1 ZINC000013670565 471837698 /nfs/dbraw/zinc/83/76/98/471837698.db2.gz GNIDHNUTOGDEIX-UHFFFAOYSA-N 1 0 330.881 2.635 50 0 EFAARO CC[NH+]1CCC2(CC1)OCCN2C(=O)c1ccc(OC)c(Cl)c1 ZINC000013725759 471840985 /nfs/dbraw/zinc/84/09/85/471840985.db2.gz RLMAMZQDDXZPFJ-UHFFFAOYSA-N 1 0 338.835 2.633 50 0 EFAARO O[C@H](CCC[NH+]1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000013834243 471844892 /nfs/dbraw/zinc/84/48/92/471844892.db2.gz LVXYAFNPMXCRJI-GOSISDBHSA-N 1 0 329.419 2.857 50 0 EFAARO CCCn1cc(C[NH2+][C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c(C)n1 ZINC000014971027 471884279 /nfs/dbraw/zinc/88/42/79/471884279.db2.gz ZQZWUDZTIHKUEB-SFHVURJKSA-N 1 0 344.434 2.631 50 0 EFAARO CCC(CC)C[NH+]1CCC(n2cc(C(=O)N(CC)CC)nn2)CC1 ZINC000014992546 471884371 /nfs/dbraw/zinc/88/43/71/471884371.db2.gz YGOORZLCOKKCFB-UHFFFAOYSA-N 1 0 335.496 2.833 50 0 EFAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3c[nH]cn3)C2)cc1 ZINC000015063503 471888105 /nfs/dbraw/zinc/88/81/05/471888105.db2.gz QVMSLMHEKCLSDA-GOSISDBHSA-N 1 0 342.487 2.805 50 0 EFAARO COc1cc(C[C@@H]2CC(C[NH+]3CCCCC3)=NO2)cc2c1OCO2 ZINC000015085670 471888460 /nfs/dbraw/zinc/88/84/60/471888460.db2.gz PWBNIKLMOZLDGM-OAHLLOKOSA-N 1 0 332.400 2.597 50 0 EFAARO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CCC(N)=O)CC2 ZINC000015083052 471888881 /nfs/dbraw/zinc/88/88/81/471888881.db2.gz YMVNEOZGJQBOGY-FQEVSTJZSA-N 1 0 340.423 2.527 50 0 biogenic EFAARO O=C1N(CCc2ccccc2)CCC[C@]1(O)C[NH2+]C1CCCCC1 ZINC000015076291 471889348 /nfs/dbraw/zinc/88/93/48/471889348.db2.gz QBASEYLTPGJZNT-FQEVSTJZSA-N 1 0 330.472 2.505 50 0 EFAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2F)CC1 ZINC000016602618 471942822 /nfs/dbraw/zinc/94/28/22/471942822.db2.gz RHOKYJQEKNSDTH-LBPRGKRZSA-N 1 0 326.387 2.723 50 0 EFAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000016622114 471944063 /nfs/dbraw/zinc/94/40/63/471944063.db2.gz OGLLAPBNSNCTLS-ZDUSSCGKSA-N 1 0 331.416 2.801 50 0 EFAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[NH+](C)C ZINC000016604011 471944273 /nfs/dbraw/zinc/94/42/73/471944273.db2.gz HNUIWMPETJRSFH-UHFFFAOYSA-N 1 0 325.771 2.734 50 0 EFAARO C[NH+]1CCN(c2ccc([C@H](O)c3ccc(Cl)cc3)cc2N)CC1 ZINC000016651791 471946279 /nfs/dbraw/zinc/94/62/79/471946279.db2.gz WDKQMONFNDCHNZ-GOSISDBHSA-N 1 0 331.847 2.756 50 0 EFAARO CCn1nc(CC(=O)NCC[NH+](CC)CC)c2ccccc2c1=S ZINC000016671545 471947345 /nfs/dbraw/zinc/94/73/45/471947345.db2.gz HYGDBSRPZSQCAC-UHFFFAOYSA-N 1 0 346.500 2.786 50 0 EFAARO O=C1C[C@H]([NH2+]CCc2ccccc2F)C(=O)N1c1ccc(Cl)cc1 ZINC000018115934 471969482 /nfs/dbraw/zinc/96/94/82/471969482.db2.gz ZRLKKUJPUWYEKS-INIZCTEOSA-N 1 0 346.789 2.943 50 0 EFAARO COc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000018190537 471972097 /nfs/dbraw/zinc/97/20/97/471972097.db2.gz HOBDKWMUZCTUHR-INIZCTEOSA-N 1 0 344.798 2.770 50 0 EFAARO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000018223104 471973828 /nfs/dbraw/zinc/97/38/28/471973828.db2.gz XBEWRZWPPTUION-IBGZPJMESA-N 1 0 347.418 2.628 50 0 EFAARO CN1CC[NH+](CCn2c(C(C)(C)C)cn3c4ccccc4nc32)CC1 ZINC000019691055 471982984 /nfs/dbraw/zinc/98/29/84/471982984.db2.gz HIHJVHOIMHPEGD-UHFFFAOYSA-N 1 0 339.487 2.834 50 0 EFAARO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000019812158 471983930 /nfs/dbraw/zinc/98/39/30/471983930.db2.gz BUELKERURUOIFV-IBGZPJMESA-N 1 0 326.440 2.557 50 0 EFAARO CC1=C(CC[NH+]2CCN(c3cnn(C)c(=O)c3)CC2)C(C)(C)CCC1 ZINC000019840632 471984051 /nfs/dbraw/zinc/98/40/51/471984051.db2.gz LJTFGECMROHTHI-UHFFFAOYSA-N 1 0 344.503 2.819 50 0 EFAARO C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)c1ccccc1 ZINC000035080234 471993933 /nfs/dbraw/zinc/99/39/33/471993933.db2.gz HGOOISFRTZCVFQ-XIRDDKMYSA-N 1 0 334.460 2.955 50 0 EFAARO C[NH+]1CCN(CC[C@@H]2CCCCN2C(=S)Nc2ccccc2)CC1 ZINC000022935438 472023488 /nfs/dbraw/zinc/02/34/88/472023488.db2.gz RHIRKHKXAMLAIB-SFHVURJKSA-N 1 0 346.544 2.875 50 0 EFAARO Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000023230549 472028218 /nfs/dbraw/zinc/02/82/18/472028218.db2.gz NBGZKUGCLABWPY-LJQANCHMSA-N 1 0 326.440 2.557 50 0 EFAARO Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H](CNS(C)(=O)=O)C2)o1 ZINC000067724791 472079544 /nfs/dbraw/zinc/07/95/44/472079544.db2.gz ORCMHWHCYKFOLX-OAHLLOKOSA-N 1 0 348.468 2.626 50 0 EFAARO Cc1ccc2[nH]c(CCNC(=O)C3CC[NH+](C(C)C)CC3)nc2c1C ZINC000067724683 472079723 /nfs/dbraw/zinc/07/97/23/472079723.db2.gz OEBZTEBSOKGGDB-UHFFFAOYSA-N 1 0 342.487 2.959 50 0 EFAARO Cc1cc(N2CCc3onc(-c4ccccc4F)c3C2)nc(N)[nH+]1 ZINC000067755536 472083976 /nfs/dbraw/zinc/08/39/76/472083976.db2.gz GMIHELFLTBPQTP-UHFFFAOYSA-N 1 0 325.347 2.724 50 0 EFAARO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC000067769460 472086522 /nfs/dbraw/zinc/08/65/22/472086522.db2.gz WIDNUWRABMXIRK-OAHLLOKOSA-N 1 0 332.469 2.519 50 0 EFAARO COc1ccc2c(C)nc(N3CCC[C@@]4(CC[N@H+](C)C4)C3)nc2c1 ZINC000067881370 472103944 /nfs/dbraw/zinc/10/39/44/472103944.db2.gz CTINJVOPJXJELZ-IBGZPJMESA-N 1 0 326.444 2.869 50 0 EFAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](CCNC(=O)NC2CCCC2)C1 ZINC000067895248 472107028 /nfs/dbraw/zinc/10/70/28/472107028.db2.gz AASOUPRUADELER-OAHLLOKOSA-N 1 0 333.480 2.562 50 0 EFAARO COc1ccc(C[NH2+]C[C@H](O)COc2cccc(C)c2)cc1OC ZINC000068049440 472128090 /nfs/dbraw/zinc/12/80/90/472128090.db2.gz ZYIFWAXAQFMLBC-INIZCTEOSA-N 1 0 331.412 2.542 50 0 EFAARO C[NH+](C)C1(CNC(=O)c2cc3ccccc3oc2=O)CCCCC1 ZINC000027579776 472184074 /nfs/dbraw/zinc/18/40/74/472184074.db2.gz UMHBPUSVMRYDNM-UHFFFAOYSA-N 1 0 328.412 2.787 50 0 EFAARO O=C1CC[C@]2(CCC[N@H+](C/C=C/c3ccccc3)C2)CN1CCCO ZINC000085479065 472254819 /nfs/dbraw/zinc/25/48/19/472254819.db2.gz OQRADWPVJNLNSV-ZSIUJALASA-N 1 0 342.483 2.787 50 0 EFAARO Cc1ccc(CSc2ncc(CN3CC[NH+](C)CC3)c(=O)[nH]2)cc1 ZINC000043804357 472264137 /nfs/dbraw/zinc/26/41/37/472264137.db2.gz UTTFGNKGXYPLAM-UHFFFAOYSA-N 1 0 344.484 2.530 50 0 EFAARO CN(C(=O)c1sc(N)nc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000031972513 472405802 /nfs/dbraw/zinc/40/58/02/472405802.db2.gz REUBVDHQRHVXME-UHFFFAOYSA-N 1 0 330.457 2.559 50 0 EFAARO C[NH+](C)Cc1ccc(C(=O)N(Cc2cocn2)Cc2cocn2)cc1 ZINC000097076765 472431723 /nfs/dbraw/zinc/43/17/23/472431723.db2.gz LWSBGMSYYKRZIO-UHFFFAOYSA-N 1 0 340.383 2.567 50 0 EFAARO CSc1ccc(-c2noc(CN3CC[NH+](C(C)C)CC3)n2)cc1 ZINC000057427630 472433553 /nfs/dbraw/zinc/43/35/53/472433553.db2.gz KTTNXHJUIHXFSF-UHFFFAOYSA-N 1 0 332.473 2.985 50 0 EFAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1cc(Br)cs1)CC2 ZINC000097199355 472475080 /nfs/dbraw/zinc/47/50/80/472475080.db2.gz XJEUGHPHMZECNW-JTQLQIEISA-N 1 0 341.278 2.769 50 0 EFAARO Cc1ccc(NC[C@H]2CC[N@H+](Cc3ccc4c(c3)OC(=O)C4)C2)nc1 ZINC000097200520 472478744 /nfs/dbraw/zinc/47/87/44/472478744.db2.gz NGMGRYYLLRNCFW-MRXNPFEDSA-N 1 0 337.423 2.786 50 0 EFAARO CN(C)c1ccc(CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000077285468 472494549 /nfs/dbraw/zinc/49/45/49/472494549.db2.gz DTNHWSUUUMYNGB-UHFFFAOYSA-N 1 0 329.488 2.772 50 0 EFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N(Cc1cccnc1)Cc1cccnc1 ZINC000097528038 472500042 /nfs/dbraw/zinc/50/00/42/472500042.db2.gz ALIYJRUXUQUVSA-LJQANCHMSA-N 1 0 338.455 2.880 50 0 EFAARO Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2)n1 ZINC000077319885 472502361 /nfs/dbraw/zinc/50/23/61/472502361.db2.gz IMIWXKXDNWWZTI-PKOBYXMFSA-N 1 0 338.455 2.798 50 0 EFAARO C[C@H](c1ccc(C(=O)NCCCn2ccnc2)o1)[NH+]1CCCCC1 ZINC000097642209 472502609 /nfs/dbraw/zinc/50/26/09/472502609.db2.gz OXFCJHYLPXJGNP-OAHLLOKOSA-N 1 0 330.432 2.843 50 0 EFAARO Cn1ccnc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077321494 472503973 /nfs/dbraw/zinc/50/39/73/472503973.db2.gz PIKUKRIKUXOGAM-QGZVFWFLSA-N 1 0 349.438 2.701 50 0 EFAARO Cc1[nH]c(=O)c(C(=O)NC2(C[NH+]3CCCC3)CCCCC2)c(C)c1C ZINC000097766265 472506859 /nfs/dbraw/zinc/50/68/59/472506859.db2.gz NIBILJZSWHYMBY-UHFFFAOYSA-N 1 0 345.487 2.829 50 0 EFAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCc1cc(Cl)no1 ZINC000077355065 472510866 /nfs/dbraw/zinc/51/08/66/472510866.db2.gz GLVPTIWDWOHVFS-OAHLLOKOSA-N 1 0 347.846 2.776 50 0 EFAARO O=C(Cc1cccnc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077355989 472511562 /nfs/dbraw/zinc/51/15/62/472511562.db2.gz DSMBQLNZBCUZOE-UHFFFAOYSA-N 1 0 337.467 2.791 50 0 EFAARO COc1c(F)cc(C[N@@H+]2CCCC[C@H]2CCNC(C)=O)cc1F ZINC000077356587 472511828 /nfs/dbraw/zinc/51/18/28/472511828.db2.gz LUJLGYKHXHVDEV-AWEZNQCLSA-N 1 0 326.387 2.854 50 0 EFAARO c1ccc(-c2nc(N3CCC[N@@H+](Cc4cccnc4)CC3)no2)cc1 ZINC000077379160 472516301 /nfs/dbraw/zinc/51/63/01/472516301.db2.gz HABZTXHYIHUJBW-UHFFFAOYSA-N 1 0 335.411 2.844 50 0 EFAARO c1cnn(Cc2ccccc2C[NH+]2CCN(c3cccnc3)CC2)c1 ZINC000077389077 472518442 /nfs/dbraw/zinc/51/84/42/472518442.db2.gz JOKILFAMVNZTAN-UHFFFAOYSA-N 1 0 333.439 2.649 50 0 EFAARO c1ccc(-c2nnc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)o2)cc1 ZINC000077388991 472518905 /nfs/dbraw/zinc/51/89/05/472518905.db2.gz DYQZPFNFWRWIDQ-OAHLLOKOSA-N 1 0 329.400 2.554 50 0 EFAARO CC[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CC[N@@H+]1C(C)C ZINC000077408334 472522200 /nfs/dbraw/zinc/52/22/00/472522200.db2.gz PMHIUVWLVKXZLE-KRWDZBQOSA-N 1 0 326.444 2.817 50 0 EFAARO COCCN1C[C@]2(CCC[N@H+](Cc3ccc(OC)cc3)C2)CCC1=O ZINC000077407049 472522421 /nfs/dbraw/zinc/52/24/21/472522421.db2.gz CMKYIWKZLSSKFW-HXUWFJFHSA-N 1 0 346.471 2.546 50 0 EFAARO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000077406730 472522531 /nfs/dbraw/zinc/52/25/31/472522531.db2.gz CUOIZHLVWXRCDT-FQEVSTJZSA-N 1 0 346.519 2.565 50 0 EFAARO Cc1oncc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077408433 472522851 /nfs/dbraw/zinc/52/28/51/472522851.db2.gz VUGOEPXOZXXQOF-UHFFFAOYSA-N 1 0 327.428 2.764 50 0 EFAARO CCc1cc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)ccn1 ZINC000077421144 472524693 /nfs/dbraw/zinc/52/46/93/472524693.db2.gz TWSBFUANXCKSAX-UHFFFAOYSA-N 1 0 349.478 2.959 50 0 EFAARO Cc1cc(N2CCCN(C(=O)c3n[nH]c4ccccc43)CC2)cc[nH+]1 ZINC000077440111 472527282 /nfs/dbraw/zinc/52/72/82/472527282.db2.gz RHHRYRGYWGHPKI-UHFFFAOYSA-N 1 0 335.411 2.619 50 0 EFAARO Cn1cccc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077440057 472527672 /nfs/dbraw/zinc/52/76/72/472527672.db2.gz VDBLCNBLVPZOET-UHFFFAOYSA-N 1 0 325.456 2.806 50 0 EFAARO O=C1CC[C@]2(CCC[N@H+](CCOc3ccccc3)C2)CN1C1CC1 ZINC000077439506 472527900 /nfs/dbraw/zinc/52/79/00/472527900.db2.gz AXPUAWYEUHSDFV-FQEVSTJZSA-N 1 0 328.456 2.932 50 0 EFAARO CC(=O)Nc1ccc(-c2nccn2CC2([NH+](C)C)CCOCC2)cc1 ZINC000077456797 472529646 /nfs/dbraw/zinc/52/96/46/472529646.db2.gz BYLXZGLSWSMHIM-UHFFFAOYSA-N 1 0 342.443 2.619 50 0 EFAARO Cn1c(CN2CCCCC2)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000077457322 472529794 /nfs/dbraw/zinc/52/97/94/472529794.db2.gz LLCRWTWWPPMYPE-UHFFFAOYSA-N 1 0 331.508 2.923 50 0 EFAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1cc(C)nc2ccc(C)cc21 ZINC000077471791 472532851 /nfs/dbraw/zinc/53/28/51/472532851.db2.gz ZKEBPTXDPGQCNA-OALUTQOASA-N 1 0 341.455 2.689 50 0 EFAARO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2cccc(OC(F)F)c2)C1 ZINC000077485527 472536267 /nfs/dbraw/zinc/53/62/67/472536267.db2.gz NVNVGLSQGLRMKA-SFHVURJKSA-N 1 0 340.414 2.711 50 0 EFAARO C[N@H+](Cc1ccc2nsnc2c1)[C@H]1CCOC2(CCOCC2)C1 ZINC000077520504 472546022 /nfs/dbraw/zinc/54/60/22/472546022.db2.gz QYQAICYDMGSPPJ-AWEZNQCLSA-N 1 0 333.457 2.851 50 0 EFAARO c1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)s2)n[nH]1 ZINC000077524213 472547474 /nfs/dbraw/zinc/54/74/74/472547474.db2.gz PYLUPZZXSUNLRE-OAHLLOKOSA-N 1 0 346.500 2.825 50 0 EFAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@H]1CCSC1 ZINC000071415809 472549913 /nfs/dbraw/zinc/54/99/13/472549913.db2.gz XVDOPPZQXBNLMR-ZDUSSCGKSA-N 1 0 347.484 2.584 50 0 EFAARO Cc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)c(C)n1-n1cnnc1 ZINC000071416146 472549949 /nfs/dbraw/zinc/54/99/49/472549949.db2.gz VRMJWLGESORHHF-QGZVFWFLSA-N 1 0 340.431 2.950 50 0 EFAARO COCCN1C[C@@]2(CCC[N@H+](Cc3ccc(C)s3)C2)CCC1=O ZINC000077541092 472551564 /nfs/dbraw/zinc/55/15/64/472551564.db2.gz FDIXTFNGEMWYOH-SFHVURJKSA-N 1 0 336.501 2.908 50 0 EFAARO COCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071589518 472553232 /nfs/dbraw/zinc/55/32/32/472553232.db2.gz YEGQWXWAGSZBJT-GOSISDBHSA-N 1 0 336.451 2.921 50 0 EFAARO COCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071589517 472553719 /nfs/dbraw/zinc/55/37/19/472553719.db2.gz YEGQWXWAGSZBJT-SFHVURJKSA-N 1 0 336.451 2.921 50 0 EFAARO CCOCC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071681454 472554358 /nfs/dbraw/zinc/55/43/58/472554358.db2.gz AAFOJGCENNRXFN-GOSISDBHSA-N 1 0 336.451 2.921 50 0 EFAARO CN(C)c1cncc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)n1 ZINC000071681864 472555003 /nfs/dbraw/zinc/55/50/03/472555003.db2.gz WXHCHFQLECOEEK-MRXNPFEDSA-N 1 0 326.444 2.990 50 0 EFAARO CCn1cc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c(C)n1 ZINC000077556136 472555695 /nfs/dbraw/zinc/55/56/95/472555695.db2.gz GBOCWHXRLBASKM-UHFFFAOYSA-N 1 0 338.499 2.887 50 0 EFAARO CN(CCc1ccccn1)c1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000071746355 472558725 /nfs/dbraw/zinc/55/87/25/472558725.db2.gz FSIMDUBZLYFGPV-UHFFFAOYSA-N 1 0 345.450 2.863 50 0 EFAARO O=C(c1cc2ccccc2[nH]1)N1CC[C@@H]([NH+]2CCCCCC2)[C@H](O)C1 ZINC000071753703 472559506 /nfs/dbraw/zinc/55/95/06/472559506.db2.gz NVDKAQAOWKAWGQ-RTBURBONSA-N 1 0 341.455 2.619 50 0 EFAARO O=C(C1CCOCC1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071761068 472562141 /nfs/dbraw/zinc/56/21/41/472562141.db2.gz SKYSHASBJJTAIK-XUVXKRRUSA-N 1 0 340.467 2.502 50 0 EFAARO CCN(C)C(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071767943 472562667 /nfs/dbraw/zinc/56/26/67/472562667.db2.gz UOCXLAUURVHQSB-IBGZPJMESA-N 1 0 349.494 2.836 50 0 EFAARO CC(C)[C@@H]1C[N@H+](Cc2cccc3nonc32)CCC(=O)N1CC1CC1 ZINC000071775707 472565004 /nfs/dbraw/zinc/56/50/04/472565004.db2.gz FANRFNAIVXBMBQ-KRWDZBQOSA-N 1 0 342.443 2.692 50 0 EFAARO CC(C)c1cc(N2CCCN(c3cc[nH+]cc3)CC2)n2nccc2n1 ZINC000072149512 472631233 /nfs/dbraw/zinc/63/12/33/472631233.db2.gz HBCXVDWIFALZDP-UHFFFAOYSA-N 1 0 336.443 2.964 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)NCc1cccs1)c1ccc2c(c1)CCO2 ZINC000090607311 472642678 /nfs/dbraw/zinc/64/26/78/472642678.db2.gz HPFXBECJMOWFLD-MRXNPFEDSA-N 1 0 345.468 2.785 50 0 EFAARO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000090699632 472653713 /nfs/dbraw/zinc/65/37/13/472653713.db2.gz BQPXLMPWMFOJAD-GOSISDBHSA-N 1 0 343.496 2.987 50 0 EFAARO Cc1cc2nc(C)cc(N3CCCN(c4cc[nH+]cc4C)CC3)n2n1 ZINC000072475313 472665238 /nfs/dbraw/zinc/66/52/38/472665238.db2.gz YRMWELNHJKSEQV-UHFFFAOYSA-N 1 0 336.443 2.766 50 0 EFAARO CC(C)c1nnc2ccc(N3CC[NH+](Cc4ccccc4)CC3)nn21 ZINC000061719668 472715667 /nfs/dbraw/zinc/71/56/67/472715667.db2.gz SVAZYAXUUKZZHD-UHFFFAOYSA-N 1 0 336.443 2.570 50 0 EFAARO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000120643978 472724249 /nfs/dbraw/zinc/72/42/49/472724249.db2.gz UYIJTSWVEKKBQK-MRXNPFEDSA-N 1 0 332.835 2.756 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)c(Cl)c1)C2 ZINC000091270299 472750374 /nfs/dbraw/zinc/75/03/74/472750374.db2.gz JZLUYJSLSZLPHM-JKSUJKDBSA-N 1 0 338.879 2.891 50 0 EFAARO O=C(CCCc1ccccc1)N1C[C@@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091350810 472758646 /nfs/dbraw/zinc/75/86/46/472758646.db2.gz GETCTLXMUXTOLV-UXHICEINSA-N 1 0 344.499 2.562 50 0 EFAARO CN1CCC[C@]2(CC[N@@H+](C3CCN(c4ccccc4F)CC3)C2)C1=O ZINC000091486772 472773864 /nfs/dbraw/zinc/77/38/64/472773864.db2.gz UUVOEYIRHRTGMC-HXUWFJFHSA-N 1 0 345.462 2.739 50 0 EFAARO COc1ccc2c(c1)OC[C@H](Cc1ccc(C[NH2+]CCO)cc1)C2 ZINC000091621138 472784614 /nfs/dbraw/zinc/78/46/14/472784614.db2.gz QPTDAJXIHXEFNA-QGZVFWFLSA-N 1 0 327.424 2.571 50 0 EFAARO CC[C@]1(CO)CCCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000091663483 472790230 /nfs/dbraw/zinc/79/02/30/472790230.db2.gz XSVWAKODROUTKY-NRFANRHFSA-N 1 0 344.499 2.877 50 0 EFAARO Cc1cccc(N2CCC([N@@H+]3CC[C@@]4(C3)CCCNC4=O)CC2)c1C ZINC000091663620 472790905 /nfs/dbraw/zinc/79/09/05/472790905.db2.gz GXKLQZGLYQDSQA-OAQYLSRUSA-N 1 0 341.499 2.874 50 0 EFAARO OCC[C@H]1CN(Cc2cccc(O)c2)CC[N@@H+]1CC1CCCCC1 ZINC000105902005 472807105 /nfs/dbraw/zinc/80/71/05/472807105.db2.gz HVYHPMAKDWCJLU-IBGZPJMESA-N 1 0 332.488 2.841 50 0 EFAARO Cc1nsc(NC(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)n1 ZINC000063856928 472821070 /nfs/dbraw/zinc/82/10/70/472821070.db2.gz QNIBNPKOCQZTTF-UHFFFAOYSA-N 1 0 345.472 2.632 50 0 EFAARO CCOc1c(CNC[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)cccc1OC ZINC000063856586 472821595 /nfs/dbraw/zinc/82/15/95/472821595.db2.gz STWAOOQRFYMDJD-UYAOXDASSA-N 1 0 348.487 2.563 50 0 EFAARO COc1ccc(C)cc1NC(=O)CNC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000063882512 472824594 /nfs/dbraw/zinc/82/45/94/472824594.db2.gz ZJCCSYUQYSCPGY-FUHWJXTLSA-N 1 0 345.487 2.796 50 0 EFAARO COCCN(Cc1cccs1)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063882498 472824989 /nfs/dbraw/zinc/82/49/89/472824989.db2.gz JIBXTSROGFDGHD-QZTJIDSGSA-N 1 0 338.517 2.576 50 0 EFAARO CC(C)([NH3+])c1cn(C2CCN(C(=O)CC3=CCCCC3)CC2)nn1 ZINC000048234131 472836751 /nfs/dbraw/zinc/83/67/51/472836751.db2.gz NURXNYLPQFYERU-UHFFFAOYSA-N 1 0 331.464 2.526 50 0 EFAARO CCc1cc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3)on1 ZINC000092021746 472845446 /nfs/dbraw/zinc/84/54/46/472845446.db2.gz DTCXRPNENFYOHB-MAUKXSAKSA-N 1 0 326.444 2.728 50 0 EFAARO Cc1cccc(NC(=O)NCCNc2cc(N(C)C)nc(C)[nH+]2)c1C ZINC000065361821 472925458 /nfs/dbraw/zinc/92/54/58/472925458.db2.gz PKPYFPKGQZYQRF-UHFFFAOYSA-N 1 0 342.447 2.701 50 0 EFAARO Cc1nc(N(C)C)cc(NCCNC(=O)Nc2cccc(Cl)c2)[nH+]1 ZINC000065362212 472925543 /nfs/dbraw/zinc/92/55/43/472925543.db2.gz GAOJPBFAUMAQLU-UHFFFAOYSA-N 1 0 348.838 2.738 50 0 EFAARO CCNc1cc(N2CCN(C(=O)Nc3ccccc3)CC2)nc(C)[nH+]1 ZINC000065363044 472927113 /nfs/dbraw/zinc/92/71/13/472927113.db2.gz CTUXDQAISLBHJK-UHFFFAOYSA-N 1 0 340.431 2.571 50 0 EFAARO C[C@@H]([NH2+]CCC(=O)NCc1ccco1)c1ccc2c(c1)OCCCO2 ZINC000065376185 472929175 /nfs/dbraw/zinc/92/91/75/472929175.db2.gz HSFJDYZPMPVBFQ-CQSZACIVSA-N 1 0 344.411 2.798 50 0 EFAARO C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCOCC1)C(=O)NC1CCCC1 ZINC000065395965 472931989 /nfs/dbraw/zinc/93/19/89/472931989.db2.gz GXGBREXULLGGDK-OAHLLOKOSA-N 1 0 348.462 2.911 50 0 EFAARO Cc1nc(C)c(C[NH2+]CC(=O)NCCc2ccc(Cl)cc2)s1 ZINC000065393857 472932881 /nfs/dbraw/zinc/93/28/81/472932881.db2.gz GDEMZBQACQLDAD-UHFFFAOYSA-N 1 0 337.876 2.862 50 0 EFAARO CC(=O)NCC1=CCC[N@H+](Cc2cccc(-n3nc(C)cc3C)c2)C1 ZINC000065399368 472933734 /nfs/dbraw/zinc/93/37/34/472933734.db2.gz RKQDEJZIMCVLEX-UHFFFAOYSA-N 1 0 338.455 2.757 50 0 EFAARO Cc1nccn1-c1ccccc1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000065397121 472934045 /nfs/dbraw/zinc/93/40/45/472934045.db2.gz SESGLVZPBOJVRD-UHFFFAOYSA-N 1 0 340.471 2.917 50 0 EFAARO Cc1nccn1CCC1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000065398201 472934151 /nfs/dbraw/zinc/93/41/51/472934151.db2.gz LGYPYRHNXGXVGI-UHFFFAOYSA-N 1 0 341.459 2.717 50 0 EFAARO CC(=O)N1CCCC[C@H]1C1=CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000065405781 472935430 /nfs/dbraw/zinc/93/54/30/472935430.db2.gz FUGWZLUZTULXME-KRWDZBQOSA-N 1 0 336.867 2.570 50 0 EFAARO CC[NH+](CC)[C@@H]1CCCC[C@H]1Nc1nccc(N2CCC(O)CC2)n1 ZINC000065408194 472936759 /nfs/dbraw/zinc/93/67/59/472936759.db2.gz CSSNXQZVRLGSHE-IAGOWNOFSA-N 1 0 347.507 2.503 50 0 EFAARO CCC[NH+](CCC)Cc1ccc(C(=O)N(C)C(C)(C)C(=O)NC)cc1 ZINC000065410282 472936784 /nfs/dbraw/zinc/93/67/84/472936784.db2.gz ZHKNCMXFFLCQTI-UHFFFAOYSA-N 1 0 347.503 2.905 50 0 EFAARO CC(=O)Nc1ccccc1NC(=O)C[NH2+][C@H](C)Cc1ncccc1C ZINC000065425295 472940026 /nfs/dbraw/zinc/94/00/26/472940026.db2.gz WFNMFDHXLYOBMS-CQSZACIVSA-N 1 0 340.427 2.508 50 0 EFAARO O=C(NCC[NH+]1CCCCCC1)C1(c2cccc(F)c2)CCOCC1 ZINC000065434241 472942287 /nfs/dbraw/zinc/94/22/87/472942287.db2.gz XYLZUUYFOYGBJU-UHFFFAOYSA-N 1 0 348.462 2.866 50 0 EFAARO CC(C)[C@@H](Cn1ccnc1)[NH2+]CC(=O)Nc1ccc(Cl)cc1F ZINC000065451480 472944138 /nfs/dbraw/zinc/94/41/38/472944138.db2.gz WQNILKVCFAUEKI-OAHLLOKOSA-N 1 0 338.814 2.929 50 0 EFAARO CC(=O)N1CCC([NH2+]C[C@@H](c2ccc(F)cc2)N2CCCC2)CC1 ZINC000065451532 472945704 /nfs/dbraw/zinc/94/57/04/472945704.db2.gz ILJKCFGJZWRYHR-IBGZPJMESA-N 1 0 333.451 2.563 50 0 EFAARO O=C(NCc1ccccn1)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065452697 472945709 /nfs/dbraw/zinc/94/57/09/472945709.db2.gz BFAFJMHROPFOGM-UHFFFAOYSA-N 1 0 345.830 2.552 50 0 EFAARO COc1cccc(NC(=O)c2cccc(C[N@@H+]3CCC[C@H](O)C3)c2)c1 ZINC000065455807 472946031 /nfs/dbraw/zinc/94/60/31/472946031.db2.gz PCUKWGXYHUQGJX-SFHVURJKSA-N 1 0 340.423 2.904 50 0 EFAARO CCCn1ncc(NC(=O)c2cccc(C[N@H+]3CC=CCC3)c2)n1 ZINC000065457513 472946054 /nfs/dbraw/zinc/94/60/54/472946054.db2.gz GRWFGAMHKSNAFJ-UHFFFAOYSA-N 1 0 325.416 2.702 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3ccnc3)C1)OCO2 ZINC000065460378 472947330 /nfs/dbraw/zinc/94/73/30/472947330.db2.gz QHRYSVJZYQFSIX-CQSZACIVSA-N 1 0 329.400 2.533 50 0 EFAARO Cc1nnc2n1C[C@H]([NH2+]Cc1ccc(Br)s1)CC2 ZINC000065463340 472948443 /nfs/dbraw/zinc/94/84/43/472948443.db2.gz NCYDYGWBLBRBGL-SECBINFHSA-N 1 0 327.251 2.515 50 0 EFAARO Cc1cccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000049420902 472948993 /nfs/dbraw/zinc/94/89/93/472948993.db2.gz PKFHKUHZGBZTKR-SFHVURJKSA-N 1 0 340.423 2.579 50 0 EFAARO Cc1ccc(NC(=O)C[NH2+]CCC(=O)NC2CCCCC2)c(F)c1 ZINC000065499558 472957515 /nfs/dbraw/zinc/95/75/15/472957515.db2.gz XTXQEIKDFVWXDR-UHFFFAOYSA-N 1 0 335.423 2.501 50 0 EFAARO O=C(CC[NH2+]Cc1ccccc1-n1cncn1)Nc1ccccc1F ZINC000065508639 472959531 /nfs/dbraw/zinc/95/95/31/472959531.db2.gz KXJJNTFKMUBLBP-UHFFFAOYSA-N 1 0 339.374 2.525 50 0 EFAARO c1ccc(NC[C@H]2CC[N@H+](Cc3cccc4c3OCCO4)C2)nc1 ZINC000065520788 472964913 /nfs/dbraw/zinc/96/49/13/472964913.db2.gz JUDINGFVEFRYSM-OAHLLOKOSA-N 1 0 325.412 2.787 50 0 EFAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N(CCO)Cc1ccco1 ZINC000065535272 472969213 /nfs/dbraw/zinc/96/92/13/472969213.db2.gz XBXHMOKLIUCSCR-UHFFFAOYSA-N 1 0 342.439 2.900 50 0 EFAARO Cc1nnc2n1C[C@H]([NH2+]Cc1cc(Cl)c3c(c1)OCCCO3)CC2 ZINC000065538567 472970764 /nfs/dbraw/zinc/97/07/64/472970764.db2.gz CGGSCSCEYSXXIQ-CYBMUJFWSA-N 1 0 348.834 2.506 50 0 EFAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000065552453 472975768 /nfs/dbraw/zinc/97/57/68/472975768.db2.gz RZIBKPHTYLGPHD-HNNXBMFYSA-N 1 0 345.466 2.550 50 0 EFAARO Cc1nn(C)c(Oc2ccccc2)c1C[NH2+][C@H](C)CN1CCCC1=O ZINC000065605999 472987646 /nfs/dbraw/zinc/98/76/46/472987646.db2.gz DOKCADOUDMOASA-CQSZACIVSA-N 1 0 342.443 2.621 50 0 EFAARO O=C(Nc1cccnc1Cl)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000065801589 473012920 /nfs/dbraw/zinc/01/29/20/473012920.db2.gz FRBCSVJQFHCHHO-UHFFFAOYSA-N 1 0 345.834 2.916 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000095386454 473194295 /nfs/dbraw/zinc/19/42/95/473194295.db2.gz OXRVGBGDLCYOLO-CQSZACIVSA-N 1 0 332.473 2.526 50 0 EFAARO Cc1cc(=O)oc2cc(OC[C@@H](O)C[N@H+]3CCC[C@@H](C)C3)ccc12 ZINC000170626130 473569351 /nfs/dbraw/zinc/56/93/51/473569351.db2.gz UXDZYVBVMLGTGP-HIFRSBDPSA-N 1 0 331.412 2.573 50 0 EFAARO Cc1noc(C)c1CN1CC[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000263618050 473787278 /nfs/dbraw/zinc/78/72/78/473787278.db2.gz QZWJXZOSQIFTGW-HNNXBMFYSA-N 1 0 347.846 2.878 50 0 EFAARO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)Nc1ccc(F)c(F)c1 ZINC000195513334 474086029 /nfs/dbraw/zinc/08/60/29/474086029.db2.gz XSBNKLXURCOCBA-UHFFFAOYSA-N 1 0 334.370 2.896 50 0 EFAARO COCCN1CCN(Cc2cnc(-c3cccc(OC)c3)s2)CC1 ZINC000215943608 474140031 /nfs/dbraw/zinc/14/00/31/474140031.db2.gz VRMRRDKJUAZMKY-UHFFFAOYSA-N 1 0 347.484 2.583 50 0 EFAARO COc1nc(C)cc(C)c1CNC(=O)[C@H](c1ccccc1F)N(C)C ZINC000219667050 474147271 /nfs/dbraw/zinc/14/72/71/474147271.db2.gz FEKSREASGHMCHT-KRWDZBQOSA-N 1 0 345.418 2.765 50 0 EFAARO O=C(CSCC[NH+]1CCCC1)N1CCCC[C@@H]1c1ccccn1 ZINC000219964478 474150780 /nfs/dbraw/zinc/15/07/80/474150780.db2.gz DTCQIHVDCKNGKV-QGZVFWFLSA-N 1 0 333.501 2.964 50 0 EFAARO CCc1nccn1CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000219916931 474151195 /nfs/dbraw/zinc/15/11/95/474151195.db2.gz BJSZZLIMDHPRDO-GOSISDBHSA-N 1 0 340.471 2.616 50 0 EFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H](O)c1ccc(Cl)cc1 ZINC000220168184 474152357 /nfs/dbraw/zinc/15/23/57/474152357.db2.gz DOEPNKFCIMPCFW-GOSISDBHSA-N 1 0 344.842 2.548 50 0 EFAARO CC(C)n1cc(CNC(=O)C[NH+]2CCC(c3ccccc3)CC2)cn1 ZINC000220300574 474154468 /nfs/dbraw/zinc/15/44/68/474154468.db2.gz ONGZDBXNXQYBGL-UHFFFAOYSA-N 1 0 340.471 2.960 50 0 EFAARO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000222197359 474166900 /nfs/dbraw/zinc/16/69/00/474166900.db2.gz QAKVHLOUCSFIGE-CABCVRRESA-N 1 0 349.438 2.813 50 0 EFAARO CCN(CCn1cccn1)C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000222276994 474168694 /nfs/dbraw/zinc/16/86/94/474168694.db2.gz YTIFOOXIFKXBBA-UHFFFAOYSA-N 1 0 340.471 2.611 50 0 EFAARO COc1ccc(CN2CCc3sccc3C2)cc1Cn1cncn1 ZINC000222542352 474170692 /nfs/dbraw/zinc/17/06/92/474170692.db2.gz FIGPKERQGZJDEF-UHFFFAOYSA-N 1 0 340.452 2.955 50 0 EFAARO OCCN1CC[NH+](C[C@H]2CC2(c2ccccc2)c2ccccc2)CC1 ZINC000222726994 474173097 /nfs/dbraw/zinc/17/30/97/474173097.db2.gz YAOINPOZZMLBID-OAQYLSRUSA-N 1 0 336.479 2.603 50 0 EFAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(-c3cccc(F)c3)cc2)C1 ZINC000222757515 474174154 /nfs/dbraw/zinc/17/41/54/474174154.db2.gz QSRCOKXCJHAHHA-MOPGFXCFSA-N 1 0 342.414 2.630 50 0 EFAARO O[C@H](c1cc2n(n1)CCC[N@H+](CCCc1cccnc1)C2)C1CC1 ZINC000223034284 474177935 /nfs/dbraw/zinc/17/79/35/474177935.db2.gz BPMXHWIELURBDW-IBGZPJMESA-N 1 0 326.444 2.560 50 0 EFAARO Cc1nn(CCO)cc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000223345417 474183954 /nfs/dbraw/zinc/18/39/54/474183954.db2.gz YZAZBALHAWGFKN-UHFFFAOYSA-N 1 0 327.350 2.835 50 0 EFAARO O=C(Cc1ccccc1C(F)(F)F)N1CC([NH+]2CCCCC2)C1 ZINC000223731324 474190216 /nfs/dbraw/zinc/19/02/16/474190216.db2.gz PPEDPDFXRFCIMV-UHFFFAOYSA-N 1 0 326.362 2.945 50 0 EFAARO CN(CCOc1cccc(Cl)c1)c1cc(C2CC([NH3+])C2)ncn1 ZINC000223884766 474192245 /nfs/dbraw/zinc/19/22/45/474192245.db2.gz KSORIXAZJKSDLU-UHFFFAOYSA-N 1 0 332.835 2.850 50 0 EFAARO Cc1ccc(-c2cccc(CN3CCN4CC[N@@H+](C)C[C@H]4C3)c2)o1 ZINC000225317387 474207609 /nfs/dbraw/zinc/20/76/09/474207609.db2.gz OHZWGVCSUJRNBN-IBGZPJMESA-N 1 0 325.456 2.687 50 0 EFAARO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CCCn2ccnc2)CC1 ZINC000182700379 474236095 /nfs/dbraw/zinc/23/60/95/474236095.db2.gz OIJINZDUNCYEJJ-UHFFFAOYSA-N 1 0 346.862 2.775 50 0 EFAARO CC(C)NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229220740 474250843 /nfs/dbraw/zinc/25/08/43/474250843.db2.gz GIGUIJVYXSNDDO-SJLPKXTDSA-N 1 0 326.444 2.855 50 0 EFAARO CC[NH+](CC)CCOC(=O)C[C@](C)(O)[C@H]1CCO[C@](C)(CC)C1 ZINC000248099604 474259303 /nfs/dbraw/zinc/25/93/03/474259303.db2.gz NJVWNHTWZNLWLA-JQHSSLGASA-N 1 0 329.481 2.608 50 0 biogenic EFAARO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 ZINC000248241156 474284541 /nfs/dbraw/zinc/28/45/41/474284541.db2.gz HEBNAYZDCNQROW-CKFHNAJUSA-N 1 0 327.380 2.645 50 0 biogenic EFAARO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237681873 474457581 /nfs/dbraw/zinc/45/75/81/474457581.db2.gz WNIDVRPFEDFIQC-MRXNPFEDSA-N 1 0 341.455 2.559 50 0 EFAARO Cc1noc(C)c1C(=O)NCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000243956753 474564259 /nfs/dbraw/zinc/56/42/59/474564259.db2.gz CDLKMSXHCQDLMJ-INIZCTEOSA-N 1 0 327.428 2.819 50 0 EFAARO COCCn1cncc1C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000244724734 474565134 /nfs/dbraw/zinc/56/51/34/474565134.db2.gz MZTMZBCJGFVJDZ-GOSISDBHSA-N 1 0 328.460 2.912 50 0 EFAARO COc1cc2c(cc1OC)C[N@H+](C[C@H](O)CO[C@@H]1CCC[C@H]1C)CC2 ZINC000244673991 474565696 /nfs/dbraw/zinc/56/56/96/474565696.db2.gz HZKWJLGDBRNGQP-FHLIZLRMSA-N 1 0 349.471 2.628 50 0 EFAARO C[N@H+](CCC(=O)Nc1cccnc1)Cc1[nH]nc2c1CCCCC2 ZINC000244734315 474566287 /nfs/dbraw/zinc/56/62/87/474566287.db2.gz NDFLHYBHZZMNDA-UHFFFAOYSA-N 1 0 327.432 2.534 50 0 EFAARO O=C(Cc1cccnc1)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000244795205 474566436 /nfs/dbraw/zinc/56/64/36/474566436.db2.gz RBKZMTAXOQPBSJ-SFHVURJKSA-N 1 0 327.403 2.717 50 0 EFAARO CN(Cc1nccn1C1CC1)CC1([NH+]2CCOCC2)CCCCC1 ZINC000244899345 474567974 /nfs/dbraw/zinc/56/79/74/474567974.db2.gz ZIDAACOTNBIYGB-UHFFFAOYSA-N 1 0 332.492 2.685 50 0 EFAARO C(c1noc(C2CCCC2)n1)N1CC[NH+](C2CCSCC2)CC1 ZINC000244899600 474568485 /nfs/dbraw/zinc/56/84/85/474568485.db2.gz ZMQGOXLWKSOZCU-UHFFFAOYSA-N 1 0 336.505 2.740 50 0 EFAARO Cc1nccn1CCC[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000252478172 474664420 /nfs/dbraw/zinc/66/44/20/474664420.db2.gz AFDGSOPJLDPBJW-IBGZPJMESA-N 1 0 325.412 2.692 50 0 EFAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)NCCC[C@@H]1CCOC1 ZINC000252481922 474668110 /nfs/dbraw/zinc/66/81/10/474668110.db2.gz CVNPNKXVEDIVJE-QGZVFWFLSA-N 1 0 330.472 2.799 50 0 EFAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1nccs1 ZINC000252488588 474675786 /nfs/dbraw/zinc/67/57/86/474675786.db2.gz IVCPDBYIJHDXSZ-HNNXBMFYSA-N 1 0 347.488 2.921 50 0 EFAARO C[N@H+](CCC(=O)Nc1ccc(F)c(Cl)c1)CC1(CO)CCC1 ZINC000252502416 474684369 /nfs/dbraw/zinc/68/43/69/474684369.db2.gz UQDALAPIACBPIQ-UHFFFAOYSA-N 1 0 328.815 2.902 50 0 EFAARO O=C(CCCCc1ccccc1)N[C@@H]([C@H]1C[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000252548763 474695968 /nfs/dbraw/zinc/69/59/68/474695968.db2.gz QKJAIFKAADSKSY-SVFBPWRDSA-N 1 0 344.499 2.655 50 0 EFAARO CCn1c(COc2ccc(C)c3c2CCC3)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252553309 474697801 /nfs/dbraw/zinc/69/78/01/474697801.db2.gz VJQDLJKEGWJKHH-HDJSIYSDSA-N 1 0 326.444 2.879 50 0 EFAARO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1C ZINC000348257359 475531620 /nfs/dbraw/zinc/53/16/20/475531620.db2.gz PMLFXMQUVMPVDJ-ZDUSSCGKSA-N 1 0 330.881 2.801 50 0 EFAARO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](c3ccccc3)CC2)C[C@H](C)O1 ZINC000340186891 475837855 /nfs/dbraw/zinc/83/78/55/475837855.db2.gz WSLSLKKKAFBDCQ-SCTDSRPQSA-N 1 0 330.472 2.892 50 0 EFAARO Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333572723 475970504 /nfs/dbraw/zinc/97/05/04/475970504.db2.gz MRIYAWVLSMONOV-HXUWFJFHSA-N 1 0 340.471 2.804 50 0 EFAARO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCc2ccccc2C1 ZINC000355728266 476054644 /nfs/dbraw/zinc/05/46/44/476054644.db2.gz FARLAXYZNKJNBQ-GOSISDBHSA-N 1 0 330.497 2.789 50 0 EFAARO Cc1ccc(C(=O)NCc2cccc(F)c2F)cc1OCCC[NH3+] ZINC000299764468 476151529 /nfs/dbraw/zinc/15/15/29/476151529.db2.gz HBEFLYIAZBAHGH-UHFFFAOYSA-N 1 0 334.366 2.931 50 0 EFAARO CCn1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)n1 ZINC000299764260 476151787 /nfs/dbraw/zinc/15/17/87/476151787.db2.gz RBUYWHPGAIRQJV-GOSISDBHSA-N 1 0 326.444 2.860 50 0 EFAARO O=C(CCc1cccc(F)c1)N[C@H]1CCCN(Cc2cccnc2)C1 ZINC000299754907 476151997 /nfs/dbraw/zinc/15/19/97/476151997.db2.gz BYNMMFLDPPYJFD-IBGZPJMESA-N 1 0 341.430 2.934 50 0 EFAARO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)nc(C)n1 ZINC000299769725 476154289 /nfs/dbraw/zinc/15/42/89/476154289.db2.gz PNGLTVDJKPYZGB-KRWDZBQOSA-N 1 0 338.455 2.621 50 0 EFAARO O=C(c1ccoc1)N1CCC[N@@H+](CC[C@H](O)c2ccccc2)CC1 ZINC000377582338 476460995 /nfs/dbraw/zinc/46/09/95/476460995.db2.gz DQCPZOHUEYWQOY-SFHVURJKSA-N 1 0 328.412 2.551 50 0 EFAARO Cc1ccc(C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1Cl ZINC000363238682 476620881 /nfs/dbraw/zinc/62/08/81/476620881.db2.gz IAKPOHSYJNDARH-UHFFFAOYSA-N 1 0 336.863 2.975 50 0 EFAARO Cc1nc(N)ccc1-c1cccc(C(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000426360417 477707057 /nfs/dbraw/zinc/70/70/57/477707057.db2.gz QPUIIEMDQNBIOG-UHFFFAOYSA-N 1 0 338.455 2.805 50 0 EFAARO CO[C@]12CC[N@H+](Cc3c(C)n[nH]c3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426428735 477708578 /nfs/dbraw/zinc/70/85/78/477708578.db2.gz HCRSAMZRKVKPCN-YTQUADARSA-N 1 0 333.476 2.965 50 0 EFAARO CCc1ccc(CN(CC)C(=O)NCCC[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000426538696 477716866 /nfs/dbraw/zinc/71/68/66/477716866.db2.gz YHASQRJESYMVIU-IBGZPJMESA-N 1 0 347.503 2.627 50 0 EFAARO Cc1nc([C@H]2CCOC2)cc(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000426535982 477717507 /nfs/dbraw/zinc/71/75/07/477717507.db2.gz XUJPMWCBWKLBQV-INIZCTEOSA-N 1 0 330.476 2.744 50 0 EFAARO Cc1cnccc1CNC(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000426583906 477721813 /nfs/dbraw/zinc/72/18/13/477721813.db2.gz CSVKBTRDVJSGJM-UHFFFAOYSA-N 1 0 330.476 2.940 50 0 EFAARO C[NH+]1CCC2(CCN(C(=O)c3ccc(-c4ncccn4)cc3)C2)CC1 ZINC000426580763 477722021 /nfs/dbraw/zinc/72/20/21/477722021.db2.gz LYDIWKOGNIQIEQ-UHFFFAOYSA-N 1 0 336.439 2.702 50 0 EFAARO O=C(NCc1cccc(F)c1)N1CC[NH+](C2CCSCC2)CC1 ZINC000426612916 477726642 /nfs/dbraw/zinc/72/66/42/477726642.db2.gz RZRLRDCUKQYOPN-UHFFFAOYSA-N 1 0 337.464 2.549 50 0 EFAARO Cc1nn(CC(N)=O)c(C)c1-c1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000426624716 477727498 /nfs/dbraw/zinc/72/74/98/477727498.db2.gz CYQZGHWQVRRUSH-CQSZACIVSA-N 1 0 326.444 2.809 50 0 EFAARO COc1cccc(-n2c(C[NH3+])nnc2SCc2csc(C)n2)c1 ZINC000426620033 477727915 /nfs/dbraw/zinc/72/79/15/477727915.db2.gz LOOAPHIRYOJAMG-UHFFFAOYSA-N 1 0 347.469 2.792 50 0 EFAARO Cc1ccsc1CNC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000426621567 477728331 /nfs/dbraw/zinc/72/83/31/477728331.db2.gz FYNABFFKTILHFH-UHFFFAOYSA-N 1 0 339.530 2.779 50 0 EFAARO O=C(NC[C@H]1C[NH2+]CCO1)c1cccc(-c2cc(Cl)ccc2F)c1 ZINC000426635779 477731266 /nfs/dbraw/zinc/73/12/66/477731266.db2.gz ZYZBUZYRZFUMRC-OAHLLOKOSA-N 1 0 348.805 2.864 50 0 EFAARO COc1cccc(-n2c(C[NH3+])nnc2SCc2c(C)noc2C)c1 ZINC000426667164 477735588 /nfs/dbraw/zinc/73/55/88/477735588.db2.gz WJNHIVBYDQPWAS-UHFFFAOYSA-N 1 0 345.428 2.632 50 0 EFAARO COc1ccccc1CCCNC(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000426690299 477738674 /nfs/dbraw/zinc/73/86/74/477738674.db2.gz NCUFGISDTYCJEX-INIZCTEOSA-N 1 0 345.487 2.896 50 0 EFAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3c(C)nn(C)c3Cl)[C@H]2C1 ZINC000426690028 477739228 /nfs/dbraw/zinc/73/92/28/477739228.db2.gz ZFVLKKYVOQLTMF-IVMMDQJWSA-N 1 0 327.856 2.540 50 0 EFAARO Cc1cccc(C)c1OC1CN(C(=O)NC[C@@H]2CCCC[N@H+]2C)C1 ZINC000426722690 477743267 /nfs/dbraw/zinc/74/32/67/477743267.db2.gz TWJZABQLDGQXAG-INIZCTEOSA-N 1 0 331.460 2.560 50 0 EFAARO C[NH2+]Cc1nnc(SCc2cc(F)cc(C(F)(F)F)c2)n1C ZINC000426740298 477745112 /nfs/dbraw/zinc/74/51/12/477745112.db2.gz AEWDZVAIIVGYJV-UHFFFAOYSA-N 1 0 334.342 2.985 50 0 EFAARO CC1CC[NH+](CCNC(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000534589102 478160427 /nfs/dbraw/zinc/16/04/27/478160427.db2.gz CWEMHKVNFVAPPO-GOSISDBHSA-N 1 0 331.460 2.581 50 0 EFAARO C[C@H](NC(=O)N1CCC2(CC1)C[N@H+](C)CCCN2C)c1ccccc1 ZINC000534585002 478161172 /nfs/dbraw/zinc/16/11/72/478161172.db2.gz OGTHDYIFFZKSSX-KRWDZBQOSA-N 1 0 344.503 2.559 50 0 EFAARO CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)NCC[C@H](C)[NH+](C)C ZINC000534590861 478161230 /nfs/dbraw/zinc/16/12/30/478161230.db2.gz DZKMGCOSBNPZDH-ZDUSSCGKSA-N 1 0 349.454 2.616 50 0 EFAARO Cc1ccnc(C[C@H](C)N(C)C(=O)NC2(C[NH+]3CCCCC3)CC2)c1 ZINC000534592854 478162218 /nfs/dbraw/zinc/16/22/18/478162218.db2.gz YSQJCMNNJBMJMH-KRWDZBQOSA-N 1 0 344.503 2.981 50 0 EFAARO C[C@@H](C[NH+]1CCCCCC1)NCc1csc(-c2cnccn2)n1 ZINC000534631096 478163497 /nfs/dbraw/zinc/16/34/97/478163497.db2.gz ZZYBUGNWXYALCT-AWEZNQCLSA-N 1 0 331.489 2.954 50 0 EFAARO O=C([C@@H]1C=CC[NH2+]1)N(CCc1ccc(Cl)cc1)Cc1ccncc1 ZINC000534643497 478164181 /nfs/dbraw/zinc/16/41/81/478164181.db2.gz MMLKFVJSHJDWJY-SFHVURJKSA-N 1 0 341.842 2.834 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cn(C)nc2C)cc1 ZINC000534639349 478164737 /nfs/dbraw/zinc/16/47/37/478164737.db2.gz LBOFAMLPHPJGIW-QGZVFWFLSA-N 1 0 326.444 2.610 50 0 EFAARO C[C@@H](CNC(=O)N1CCC(c2cccc(O)c2)CC1)[NH+]1CCCC1 ZINC000534650128 478165755 /nfs/dbraw/zinc/16/57/55/478165755.db2.gz PNHZFLGJBZJNTJ-HNNXBMFYSA-N 1 0 331.460 2.766 50 0 EFAARO CCCC[NH+]1CCN(C(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000534663269 478167148 /nfs/dbraw/zinc/16/71/48/478167148.db2.gz HVRRIYALRGFZKY-OAHLLOKOSA-N 1 0 349.475 2.892 50 0 EFAARO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000534663301 478167740 /nfs/dbraw/zinc/16/77/40/478167740.db2.gz FXMYIZPDLHXAEI-CYBMUJFWSA-N 1 0 347.438 2.575 50 0 EFAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)N[C@@H](CO)c1ccccc1 ZINC000534674799 478168429 /nfs/dbraw/zinc/16/84/29/478168429.db2.gz RFSLJBVLGLNQOC-KRWDZBQOSA-N 1 0 333.476 2.674 50 0 EFAARO Cc1ccnc(C[C@H](C)N(C)C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000534666139 478169003 /nfs/dbraw/zinc/16/90/03/478169003.db2.gz SUHUOBNZGXRHQA-INIZCTEOSA-N 1 0 332.492 2.837 50 0 EFAARO CC(C)(C)OC(=O)N1CCC[C@](CO)(C[NH2+]Cc2ccccc2)C1 ZINC000601012339 478614408 /nfs/dbraw/zinc/61/44/08/478614408.db2.gz ADOIPPNNKCCKBZ-IBGZPJMESA-N 1 0 334.460 2.786 50 0 EFAARO Cc1nc2sccc2c(-c2cccc(C(=O)N3CC[C@H]([NH3+])C3)c2)n1 ZINC000584885652 479270503 /nfs/dbraw/zinc/27/05/03/479270503.db2.gz JFBPLKRQSVFKJV-AWEZNQCLSA-N 1 0 338.436 2.840 50 0 EFAARO Cn1ccnc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000584886295 479270899 /nfs/dbraw/zinc/27/08/99/479270899.db2.gz IEUCZOLAWNBLDV-QGZVFWFLSA-N 1 0 326.444 2.767 50 0 EFAARO Cc1cccc(-c2nc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)cs2)c1 ZINC000584886929 479271488 /nfs/dbraw/zinc/27/14/88/479271488.db2.gz VDGRMLUMLAHWIL-INIZCTEOSA-N 1 0 344.484 2.964 50 0 EFAARO O=C(CCC(=O)N1CCCCCC1)N1CC[NH+](CC2CCCC2)CC1 ZINC000584887054 479271672 /nfs/dbraw/zinc/27/16/72/479271672.db2.gz FSUDZJDJMJLAJV-UHFFFAOYSA-N 1 0 349.519 2.504 50 0 EFAARO Cc1ccn(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000584892284 479273306 /nfs/dbraw/zinc/27/33/06/479273306.db2.gz VMNDJYIKDMXZRV-IBGZPJMESA-N 1 0 340.471 2.925 50 0 EFAARO C[NH+](C)CC[C@@H](NC(=O)N1CC(c2ccccn2)C1)c1ccccc1 ZINC000584898410 479274873 /nfs/dbraw/zinc/27/48/73/479274873.db2.gz CWARKSCGLLHOTI-LJQANCHMSA-N 1 0 338.455 2.883 50 0 EFAARO C[NH+](C)[C@@H]1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000584900972 479276720 /nfs/dbraw/zinc/27/67/20/479276720.db2.gz GWRHZMYMYCOUFD-CQSZACIVSA-N 1 0 348.447 2.795 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N2CC(Oc3ccc(F)cc3)C2)CC1 ZINC000095508367 519842372 /nfs/dbraw/zinc/84/23/72/519842372.db2.gz SEFIDRUHDYMGIK-UHFFFAOYSA-N 1 0 334.435 2.927 50 0 EFAARO Cc1ccccc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000031392368 525222833 /nfs/dbraw/zinc/22/28/33/525222833.db2.gz NHTPPZKMXGJGPT-SFHVURJKSA-N 1 0 326.440 2.557 50 0 EFAARO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000426486067 535169398 /nfs/dbraw/zinc/16/93/98/535169398.db2.gz TUGRMKWAXVTXAL-IBGZPJMESA-N 1 0 329.488 2.983 50 0 EFAARO CCOc1ccc2nc(C[N@@H+]3CCC[C@@](C)(C(N)=O)C3)ccc2c1 ZINC000216474180 535443135 /nfs/dbraw/zinc/44/31/35/535443135.db2.gz AAHAVRYQQOYXDI-LJQANCHMSA-N 1 0 327.428 2.721 50 0 EFAARO CC[C@@H](Cn1ccnc1)NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000219304666 535776854 /nfs/dbraw/zinc/77/68/54/535776854.db2.gz BJFUKBOXEDRZIO-IBGZPJMESA-N 1 0 340.471 2.658 50 0 EFAARO COc1ccc(Cl)cc1CN(C)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219204293 536558081 /nfs/dbraw/zinc/55/80/81/536558081.db2.gz BVWLNWSFWSKVNI-UHFFFAOYSA-N 1 0 347.850 2.562 50 0 EFAARO COc1ccc2cc(CN(C)C(=O)C[NH2+]C[C@H]3CCCO3)ccc2c1 ZINC000263261627 537031984 /nfs/dbraw/zinc/03/19/84/537031984.db2.gz SSEIBOBHAGHYLD-LJQANCHMSA-N 1 0 342.439 2.575 50 0 EFAARO COc1cccc(-n2c(C[NH3+])nnc2SCC[C@H]2CC2(F)F)c1 ZINC000426358247 537072078 /nfs/dbraw/zinc/07/20/78/537072078.db2.gz GSSJZBYNECXHKW-JTQLQIEISA-N 1 0 340.399 2.872 50 0 EFAARO Cc1ccc2[nH]c(CNC(=O)CC[N@@H+]3C[C@@H]4CC[C@H]3C4)nc2c1C ZINC000222977334 545561679 /nfs/dbraw/zinc/56/16/79/545561679.db2.gz ZZEGGBVSBYWHCB-CABCVRRESA-N 1 0 326.444 2.670 50 0 EFAARO CC(C)c1nc(CCc2nc3cc(F)ccc3[nH]2)n(CC(C)(C)O)n1 ZINC000670439971 547489349 /nfs/dbraw/zinc/48/93/49/547489349.db2.gz AQKIKOBYOSCFFI-UHFFFAOYSA-N 1 0 345.422 2.973 50 0 EFAARO Cc1nccn1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670443406 547490575 /nfs/dbraw/zinc/49/05/75/547490575.db2.gz XWPULTNRYZRHSP-IBGZPJMESA-N 1 0 340.471 2.925 50 0 EFAARO COc1cccc(OCC(=O)NCC2([NH+]3CCCCC3)CCCC2)c1 ZINC000670468101 547494780 /nfs/dbraw/zinc/49/47/80/547494780.db2.gz MTRUEXCBZZJFPH-UHFFFAOYSA-N 1 0 346.471 2.989 50 0 EFAARO O=c1cc([C@@H]2CCC[N@@H+](CCCOc3ccc(F)cc3)C2)nc[nH]1 ZINC000670470628 547495644 /nfs/dbraw/zinc/49/56/44/547495644.db2.gz NRCQVLIAWZMFQI-CQSZACIVSA-N 1 0 331.391 2.970 50 0 EFAARO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000685940649 550196853 /nfs/dbraw/zinc/19/68/53/550196853.db2.gz QPHPNOIAWWIUJD-WBMJQRKESA-N 1 0 340.489 2.991 50 0 EFAARO C[C@H](c1ccccc1F)N(C)C(=O)c1c[nH]c(C2CC[NH2+]CC2)n1 ZINC000685942625 550197229 /nfs/dbraw/zinc/19/72/29/550197229.db2.gz PYLFWWQTJHSVDL-GFCCVEGCSA-N 1 0 330.407 2.849 50 0 EFAARO CCc1nnc([C@]23CCC[C@H]2C[N@H+](Cc2cccnc2OC)C3)o1 ZINC000685941556 550197613 /nfs/dbraw/zinc/19/76/13/550197613.db2.gz ZDWGGNVAPNLEFP-KSSFIOAISA-N 1 0 328.416 2.589 50 0 EFAARO C[C@@H](C(=O)Nc1ccc2c(c1)ncn2CC[NH+](C)C)n1cccc1 ZINC000575443613 564079554 /nfs/dbraw/zinc/07/95/54/564079554.db2.gz YITWDGMIMFPBFC-AWEZNQCLSA-N 1 0 325.416 2.599 50 0 EFAARO C[C@H]1C(=O)N2CCC[C@H]2C[N@@H+]1C1CCN(c2ccc(F)c(F)c2)CC1 ZINC001772700767 1249284259 /nfs/dbraw/zinc/28/42/59/1249284259.db2.gz HHHZJTWNQJZZJN-BBRMVZONSA-N 1 0 349.425 2.629 50 0 EFAARO C[NH+](C)CC1(CO)CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001772701168 1249283999 /nfs/dbraw/zinc/28/39/99/1249283999.db2.gz IOSSDVRGDYMDED-UHFFFAOYSA-N 1 0 348.384 2.981 50 0 EFAARO CC1(C)CC(Nc2nnc([C@H](N)c3ccccc3)o2)CC(C)(C)[NH2+]1 ZINC001772702819 1249286441 /nfs/dbraw/zinc/28/64/41/1249286441.db2.gz JCSJHYFLVRCFKU-CQSZACIVSA-N 1 0 329.448 2.839 50 0 EFAARO CC(C)=CC[N@@H+]1CCCN(C(=O)Cc2cnc3c(C)cccn23)CC1 ZINC001772705238 1249288093 /nfs/dbraw/zinc/28/80/93/1249288093.db2.gz LYKDIIHNYQWBKE-UHFFFAOYSA-N 1 0 340.471 2.686 50 0 EFAARO Cc1c(Cl)cccc1NC(=O)N1CCC[C@](CO)(C[NH+](C)C)C1 ZINC001772708025 1249293957 /nfs/dbraw/zinc/29/39/57/1249293957.db2.gz BWZHWGPGXHOWSH-KRWDZBQOSA-N 1 0 339.867 2.816 50 0 EFAARO CNCc1nnc(NCCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC001772709650 1249298068 /nfs/dbraw/zinc/29/80/68/1249298068.db2.gz LMGDQTLLHQLXRQ-UHFFFAOYSA-N 1 0 329.448 2.503 50 0 EFAARO C[N@@H+]1CCC[C@H](CCC(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000823770578 1265427327 /nfs/dbraw/zinc/42/73/27/1265427327.db2.gz AHKDIUCORGHIAL-QGZVFWFLSA-N 1 0 345.487 2.579 50 0 EFAARO Cc1c([C@H](C)[NH2+]Cc2cnc(N)nc2)cnn1-c1ccc(F)cc1F ZINC000012297979 1265787009 /nfs/dbraw/zinc/78/70/09/1265787009.db2.gz GXFGKSJYSBUYDU-JTQLQIEISA-N 1 0 344.369 2.682 50 0 EFAARO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)Cc3ccccc3Cl)C2)CC1 ZINC000011711387 1263375097 /nfs/dbraw/zinc/37/50/97/1263375097.db2.gz WBCYROSKDTWDAB-MRXNPFEDSA-N 1 0 349.906 2.557 50 0 EFAARO Cc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(CC3CCCCC3)C2=O)o1 ZINC000011817988 1264017804 /nfs/dbraw/zinc/01/78/04/1264017804.db2.gz DWEONMJEUZWJEV-HXUWFJFHSA-N 1 0 348.487 2.954 50 0 EFAARO C[N@H+](CCO)[C@@H]1CCC(=O)N(Cc2ccc3ccccc3c2)CC1 ZINC000012099791 1264908150 /nfs/dbraw/zinc/90/81/50/1264908150.db2.gz YSXWDJKBTNZVBD-LJQANCHMSA-N 1 0 326.440 2.645 50 0 EFAARO CCCOc1ccc(NC(=O)CN2CCC[N@H+](C)CC2)cc1Cl ZINC000822983438 1265204144 /nfs/dbraw/zinc/20/41/44/1265204144.db2.gz PUCQFGCFHOWRTL-UHFFFAOYSA-N 1 0 339.867 2.705 50 0 EFAARO CC[NH+]1CCN(CC(=O)NC2c3ccccc3-c3ccccc32)CC1 ZINC000823112742 1265240053 /nfs/dbraw/zinc/24/00/53/1265240053.db2.gz APQFMMPXDXVZCH-UHFFFAOYSA-N 1 0 335.451 2.510 50 0 EFAARO CCOc1ncccc1C(=O)N[C@@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000823405617 1265332872 /nfs/dbraw/zinc/33/28/72/1265332872.db2.gz PRSHADDCBMIBKP-HNNXBMFYSA-N 1 0 339.439 2.657 50 0 EFAARO CCn1nc(-c2c[nH]c3ccccc23)nc1[C@@H](C)N1CC[NH+](C)CC1 ZINC000823600763 1265386328 /nfs/dbraw/zinc/38/63/28/1265386328.db2.gz UYMOPUUSRYMDGM-CQSZACIVSA-N 1 0 338.459 2.755 50 0 EFAARO CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccsc3)C2)cn1 ZINC000823602198 1265398135 /nfs/dbraw/zinc/39/81/35/1265398135.db2.gz XBMMSHUZEXMAAR-CQSZACIVSA-N 1 0 332.473 2.607 50 0 EFAARO COc1cccc(-c2cc(-c3ccco3)nc(N3CC[C@@H]([NH3+])C3)n2)c1 ZINC000824789981 1266944132 /nfs/dbraw/zinc/94/41/32/1266944132.db2.gz OSGHVVITEJCIMV-CQSZACIVSA-N 1 0 336.395 2.950 50 0 EFAARO COc1cccc(-n2cc(C[NH2+]C3CSCCSC3)cn2)c1 ZINC000824792482 1266945484 /nfs/dbraw/zinc/94/54/84/1266945484.db2.gz HVRWPRAZKPCIQZ-UHFFFAOYSA-N 1 0 335.498 2.819 50 0 EFAARO COc1ccccc1Cc1nc([C@@H]2CCC[NH2+]C2)n(-c2ccncc2)n1 ZINC000824821832 1266946826 /nfs/dbraw/zinc/94/68/26/1266946826.db2.gz AGIPVYSGXURICX-MRXNPFEDSA-N 1 0 349.438 2.729 50 0 EFAARO COc1ccnc(C(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000824835777 1266948178 /nfs/dbraw/zinc/94/81/78/1266948178.db2.gz SQVRTBWALDMRPR-ZDUSSCGKSA-N 1 0 331.441 2.546 50 0 EFAARO COc1ncc(C[N@H+](C)Cc2cccc(-n3nc(C)cc3C)c2)cn1 ZINC000824852234 1266959043 /nfs/dbraw/zinc/95/90/43/1266959043.db2.gz XYBKOGLNZQYBRP-UHFFFAOYSA-N 1 0 337.427 2.920 50 0 EFAARO Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[N@@H+](C2CCC2)CC1 ZINC000825527308 1267107110 /nfs/dbraw/zinc/10/71/10/1267107110.db2.gz LDKKOSFJFHFSLW-UHFFFAOYSA-N 1 0 342.892 2.897 50 0 EFAARO Cc1c[nH+]ccc1NCCNC(=O)c1cc2ccc(Cl)cc2n1C ZINC000825573838 1267116784 /nfs/dbraw/zinc/11/67/84/1267116784.db2.gz STINZRWBLAPHGJ-UHFFFAOYSA-N 1 0 342.830 2.799 50 0 EFAARO Nc1ncc(C(=O)NCC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000827590640 1267445451 /nfs/dbraw/zinc/44/54/51/1267445451.db2.gz RMXATYXRORZRDY-HNNXBMFYSA-N 1 0 344.484 2.900 50 0 EFAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000827836902 1267492948 /nfs/dbraw/zinc/49/29/48/1267492948.db2.gz SWQPGHIQUXEGIV-OCCSQVGLSA-N 1 0 346.862 2.749 50 0 EFAARO CC1(C)CC(CC(=O)N2CCN(C3CCCC3)C(=O)C2)CC(C)(C)[NH2+]1 ZINC000827942793 1267538108 /nfs/dbraw/zinc/53/81/08/1267538108.db2.gz DTFLVGKEPMRTCT-UHFFFAOYSA-N 1 0 349.519 2.547 50 0 EFAARO CC(C)c1nccn1CCCNC(=O)c1cccc2c1OCCO2 ZINC000828177499 1267629085 /nfs/dbraw/zinc/62/90/85/1267629085.db2.gz JIPOWWZWYGKGCF-UHFFFAOYSA-N 1 0 329.400 2.598 50 0 EFAARO CC[N@H+](C)C[C@H](C)c1nc(Cc2cccc(Cl)c2)nn1CCO ZINC000828776648 1267913285 /nfs/dbraw/zinc/91/32/85/1267913285.db2.gz DJLRSPDBNVABLQ-ZDUSSCGKSA-N 1 0 336.867 2.570 50 0 EFAARO O=C(NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccc(=O)[nH]1 ZINC000828928393 1268000976 /nfs/dbraw/zinc/00/09/76/1268000976.db2.gz QTILEGUXXWCCPI-QGZVFWFLSA-N 1 0 339.439 2.962 50 0 EFAARO C[N@@H+]1CCC=C(CN2CCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000065381038 1271048478 /nfs/dbraw/zinc/04/84/78/1271048478.db2.gz RZPCGPUWIHMIGA-UHFFFAOYSA-N 1 0 349.478 2.860 50 0 EFAARO CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(CCOC)C3=O)cc1 ZINC000012571820 1275185412 /nfs/dbraw/zinc/18/54/12/1275185412.db2.gz DSOZWMJRFYAZEA-FQEVSTJZSA-N 1 0 330.472 2.710 50 0 EFAARO CCSc1ncc(C[NH2+][C@@H]2CCCc3nc(N(C)C)ncc32)cn1 ZINC000012585699 1276530006 /nfs/dbraw/zinc/53/00/06/1276530006.db2.gz KHGLXLXWRHVJOK-CQSZACIVSA-N 1 0 344.488 2.612 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1coc(COc2ccccc2F)n1 ZINC000012589174 1276558863 /nfs/dbraw/zinc/55/88/63/1276558863.db2.gz CKHLZUNRZDFRKH-ZDUSSCGKSA-N 1 0 347.390 2.607 50 0 EFAARO O=C(Nc1ccc2c(c1)C[N@H+](C1CCOCC1)CC2)c1ccccn1 ZINC000012593675 1276710663 /nfs/dbraw/zinc/71/06/63/1276710663.db2.gz VUZLPOKUDBKZJD-UHFFFAOYSA-N 1 0 337.423 2.871 50 0 EFAARO O=C(CC[N@H+]1CC[C@@H](Cc2ccc(CO)cc2)C1)NC1CCCCC1 ZINC000219608076 1277054180 /nfs/dbraw/zinc/05/41/80/1277054180.db2.gz PPNMQWBMBQWYFH-IBGZPJMESA-N 1 0 344.499 2.882 50 0 EFAARO Cc1ccccc1NC(=O)CNc1cc(N2CCCCC2)ncn1 ZINC000065503241 1287555855 /nfs/dbraw/zinc/55/58/55/1287555855.db2.gz PGTWXYHFELYRNZ-UHFFFAOYSA-N 1 0 325.416 2.826 50 0 EFAARO CCc1cnc(C[C@@H]2CC[C@H](C[N@H+](C)Cc3cccnc3)O2)nc1 ZINC000952854515 1284870971 /nfs/dbraw/zinc/87/09/71/1284870971.db2.gz LSDFKORSFGXJRF-ZWKOTPCHSA-N 1 0 326.444 2.656 50 0 EFAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)CCc1cn[nH]c1 ZINC000952874169 1284898795 /nfs/dbraw/zinc/89/87/95/1284898795.db2.gz YFTRKVKKDGVIDC-UHFFFAOYSA-N 1 0 326.444 2.597 50 0 EFAARO [NH3+][C@H](CC(=O)Nc1ccc(CC(=O)NC2CC2)cc1)c1ccccc1 ZINC000952865791 1284909712 /nfs/dbraw/zinc/90/97/12/1284909712.db2.gz XMYXICJWPYGFPR-GOSISDBHSA-N 1 0 337.423 2.536 50 0 EFAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)Nc3ccc4scnc4c3)nn2)CC1 ZINC000952864470 1284910049 /nfs/dbraw/zinc/91/00/49/1284910049.db2.gz ZDVIJQJNDLXENC-KLPPZKSPSA-N 1 0 342.428 2.583 50 0 EFAARO Cc1c(NC(=O)C[C@@H]([NH3+])c2ccccc2)cccc1C(=O)N(C)C ZINC000952962331 1284918793 /nfs/dbraw/zinc/91/87/93/1284918793.db2.gz DPUZABPZQVPILK-MRXNPFEDSA-N 1 0 325.412 2.725 50 0 EFAARO CN(CC(=O)Nc1ccccc1C[NH+]1CCCC1)Cc1cccnc1 ZINC000952962694 1284919577 /nfs/dbraw/zinc/91/95/77/1284919577.db2.gz GUMAPYLGNXEIAW-UHFFFAOYSA-N 1 0 338.455 2.748 50 0 EFAARO OC[C@@H]1CCCCN1CC[NH2+]Cc1ccc(-c2ccccn2)cc1 ZINC000952966466 1284925870 /nfs/dbraw/zinc/92/58/70/1284925870.db2.gz JQNKRERKNLENHP-IBGZPJMESA-N 1 0 325.456 2.685 50 0 EFAARO CCCCc1ncc(C[NH2+][C@H]2CCCN(C(=O)c3ccco3)C2)[nH]1 ZINC000952965992 1284926077 /nfs/dbraw/zinc/92/60/77/1284926077.db2.gz HNBMGSOTTAAHPP-AWEZNQCLSA-N 1 0 330.432 2.740 50 0 EFAARO Cn1cc(Cl)c(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000952979553 1284958761 /nfs/dbraw/zinc/95/87/61/1284958761.db2.gz WVDRBIKRYJLZHR-UHFFFAOYSA-N 1 0 348.834 2.799 50 0 EFAARO Cc1nnc(CN2CCC[C@@H](CNC(=O)c3ccsc3)C2)s1 ZINC000952982222 1284977904 /nfs/dbraw/zinc/97/79/04/1284977904.db2.gz WUWYAQUOJWKPFF-LBPRGKRZSA-N 1 0 336.486 2.550 50 0 EFAARO CCc1nccc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000952990982 1284997983 /nfs/dbraw/zinc/99/79/83/1284997983.db2.gz YVZJKXWBNUBAKN-KRWDZBQOSA-N 1 0 328.435 2.932 50 0 EFAARO CCOCc1nc(Cc2ccccc2OC)nn1C1CC[NH+](C)CC1 ZINC000096165709 1292785030 /nfs/dbraw/zinc/78/50/30/1292785030.db2.gz VJCOXMHTLVQKQB-UHFFFAOYSA-N 1 0 344.459 2.681 50 0 EFAARO CC1CCC([C@@H]([NH3+])C2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000958528840 1292867171 /nfs/dbraw/zinc/86/71/71/1292867171.db2.gz WNDFWHGAPKRIPZ-YMAMQOFZSA-N 1 0 326.481 2.902 50 0 EFAARO CCN1C(=S)N=NC1CC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000016671165 1313539070 /nfs/dbraw/zinc/53/90/70/1313539070.db2.gz NIBQMEQNTDGCEI-UHFFFAOYSA-N 1 0 345.516 2.568 50 0 EFAARO Cn1c[n+](Cc2ccccc2)c2c1nc(Nc1ccccc1)[nH]c2=O ZINC000001233362 1306577865 /nfs/dbraw/zinc/57/78/65/1306577865.db2.gz VLYOCPPNYKLMQQ-UHFFFAOYSA-O 1 0 332.387 2.753 50 0 EFAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C1=CCCC1 ZINC000012713019 1307071964 /nfs/dbraw/zinc/07/19/64/1307071964.db2.gz CSXZHJPSKYGIHR-UHFFFAOYSA-N 1 0 333.520 2.751 50 0 EFAARO C[NH+](C)CC[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CCO1 ZINC000014948927 1311402578 /nfs/dbraw/zinc/40/25/78/1311402578.db2.gz HHQQWDWWIHIZHI-MRXNPFEDSA-N 1 0 331.485 2.963 50 0 EFAARO O=C(CCC1CC[NH+](CCCC(F)(F)F)CC1)N1CCOCC1 ZINC000014949269 1311402620 /nfs/dbraw/zinc/40/26/20/1311402620.db2.gz VMJBALODVJZGSB-UHFFFAOYSA-N 1 0 336.398 2.680 50 0 EFAARO O=C(NCc1cccs1)[C@@H]1CC12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000014988499 1311428735 /nfs/dbraw/zinc/42/87/35/1311428735.db2.gz IOGCICZYFAAWJY-HIFRSBDPSA-N 1 0 336.526 2.972 50 0 EFAARO Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)C[NH+]1CCCCC1 ZINC000015062997 1311466499 /nfs/dbraw/zinc/46/64/99/1311466499.db2.gz CQJDRVQUEXWYRS-AWEZNQCLSA-N 1 0 339.443 2.510 50 0 EFAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](CCC(=O)NC2CC2)C1 ZINC000015074243 1311470307 /nfs/dbraw/zinc/47/03/07/1311470307.db2.gz KPSSZSPUHZLBBH-CYBMUJFWSA-N 1 0 338.883 2.653 50 0 EFAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](CCC(=O)NC2CC2)C1 ZINC000015074242 1311470450 /nfs/dbraw/zinc/47/04/50/1311470450.db2.gz KPSSZSPUHZLBBH-ZDUSSCGKSA-N 1 0 338.883 2.653 50 0 EFAARO CC(C)c1nccn1[C@H](C)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000020255725 1314621355 /nfs/dbraw/zinc/62/13/55/1314621355.db2.gz GAKFFGAJFLOEAW-MRXNPFEDSA-N 1 0 328.464 2.570 50 0 EFAARO CC(C)c1nccn1[C@@H](C)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000020255723 1314621884 /nfs/dbraw/zinc/62/18/84/1314621884.db2.gz GAKFFGAJFLOEAW-INIZCTEOSA-N 1 0 328.464 2.570 50 0 EFAARO OCC[NH2+]Cc1cc2cc3c(cc2nc1OCc1cccnc1)CCC3 ZINC000020534841 1314682089 /nfs/dbraw/zinc/68/20/89/1314682089.db2.gz CEYRQKRPJUPSIX-UHFFFAOYSA-N 1 0 349.434 2.779 50 0 EFAARO Cc1nc2ccccn2c1-c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000020543091 1314683280 /nfs/dbraw/zinc/68/32/80/1314683280.db2.gz LXYFQPKPNVDRQA-UHFFFAOYSA-N 1 0 346.394 2.709 50 0 EFAARO CCCN(Cc1ccccc1F)C(=O)CC[C@H](C)[NH+]1CCN(C)CC1 ZINC001506405265 1405752644 /nfs/dbraw/zinc/75/26/44/1405752644.db2.gz ADPFZADURSAEFT-KRWDZBQOSA-N 1 0 349.494 2.980 50 0 EFAARO Fc1ccc(N2CCC([N@@H+]3CCC[C@@H](c4nnc[nH]4)C3)CC2)cc1F ZINC001506406744 1405754100 /nfs/dbraw/zinc/75/41/00/1405754100.db2.gz RIONVYSYPDYEPJ-CYBMUJFWSA-N 1 0 347.413 2.931 50 0 EFAARO Fc1ccc(N2CCC([N@@H+]3CCC[C@H](c4nnc[nH]4)C3)CC2)cc1F ZINC001506406750 1405754162 /nfs/dbraw/zinc/75/41/62/1405754162.db2.gz RIONVYSYPDYEPJ-ZDUSSCGKSA-N 1 0 347.413 2.931 50 0 EFAARO O=C1CC[C@H]([NH+]2CCC(Oc3ccncc3)CC2)CCN1CC1CC1 ZINC001506407100 1405754232 /nfs/dbraw/zinc/75/42/32/1405754232.db2.gz MKWJWVRVYHQKKF-KRWDZBQOSA-N 1 0 343.471 2.716 50 0 EFAARO O=C1CC[N@H+](C[C@H]2CCOC2)CCN1Cc1cccc2ccccc21 ZINC001506407733 1405754876 /nfs/dbraw/zinc/75/48/76/1405754876.db2.gz UKFGCSXVKCUEOE-QGZVFWFLSA-N 1 0 338.451 2.911 50 0 EFAARO c1coc(CN2CCC([NH+]3CCC(Oc4ncccn4)CC3)CC2)c1 ZINC001506408811 1405755188 /nfs/dbraw/zinc/75/51/88/1405755188.db2.gz XJYKDFLDLBKGKI-UHFFFAOYSA-N 1 0 342.443 2.577 50 0 EFAARO Cc1cc(C(F)(F)F)nc(CC[NH2+]C2CSCCSC2)n1 ZINC001506412377 1405757759 /nfs/dbraw/zinc/75/77/59/1405757759.db2.gz CXSIZIUFAWBRQH-UHFFFAOYSA-N 1 0 337.436 2.785 50 0 EFAARO C[C@H](C1CCN(Cc2nc(C(F)(F)F)no2)CC1)[NH+]1CCCC1 ZINC001506412806 1405758181 /nfs/dbraw/zinc/75/81/81/1405758181.db2.gz PAWRMUYGYIFHLS-LLVKDONJSA-N 1 0 332.370 2.785 50 0 EFAARO COc1cc(OC)nc(NC[C@@H](c2cccnc2)[NH+]2CCCCC2)n1 ZINC001506415336 1405759019 /nfs/dbraw/zinc/75/90/19/1405759019.db2.gz AUZLBUOHMGKKQO-HNNXBMFYSA-N 1 0 343.431 2.528 50 0 EFAARO CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC2(COC(=O)O2)CC1 ZINC001506418277 1405760059 /nfs/dbraw/zinc/76/00/59/1405760059.db2.gz GVIIEJLFABLTNW-OAHLLOKOSA-N 1 0 332.400 2.714 50 0 EFAARO Cc1cccc(C[C@H](C)[NH2+]C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC001506419444 1405760967 /nfs/dbraw/zinc/76/09/67/1405760967.db2.gz CCVACXYYVUMDOZ-INIZCTEOSA-N 1 0 338.455 2.610 50 0 EFAARO Cc1cccc(C[C@@H](C)[NH2+]C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC001506419445 1405761023 /nfs/dbraw/zinc/76/10/23/1405761023.db2.gz CCVACXYYVUMDOZ-MRXNPFEDSA-N 1 0 338.455 2.610 50 0 EFAARO CCCCSc1ncc(C[N@@H+]2CCC[C@@](CC)(C(N)=O)C2)cn1 ZINC001506420464 1405761258 /nfs/dbraw/zinc/76/12/58/1405761258.db2.gz DVOWKSKJZAMEBL-QGZVFWFLSA-N 1 0 336.505 2.846 50 0 EFAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)N(CCO)CC12CC3CC(CC(C3)C1)C2 ZINC001506420567 1405761389 /nfs/dbraw/zinc/76/13/89/1405761389.db2.gz JCAHXDDFUFDGLA-CYSNLQCGSA-N 1 0 346.515 2.508 50 0 EFAARO c1nncn1CCN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001506420229 1405761421 /nfs/dbraw/zinc/76/14/21/1405761421.db2.gz ZBDCBKMRCNPBDB-HXUWFJFHSA-N 1 0 339.487 2.656 50 0 EFAARO O=C1CC[C@H]([NH2+]Cc2nc(C3CCCCC3)no2)CCN1CC1CC1 ZINC001506421892 1405762328 /nfs/dbraw/zinc/76/23/28/1405762328.db2.gz NYJQSOBWVQTFRU-INIZCTEOSA-N 1 0 346.475 2.998 50 0 EFAARO Nc1nc(CCC[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cs1 ZINC001506424148 1405763188 /nfs/dbraw/zinc/76/31/88/1405763188.db2.gz ZFEHRSLLFCSUMC-UHFFFAOYSA-N 1 0 331.420 2.977 50 0 EFAARO COc1ccc2c(C)cc(NCCC[N@@H+]3CCC[C@H](O)C3)nc2c1 ZINC001506426868 1405764758 /nfs/dbraw/zinc/76/47/58/1405764758.db2.gz JVBWAHJIXCGILB-HNNXBMFYSA-N 1 0 329.444 2.811 50 0 EFAARO COc1c(C)cnc(C[NH2+][C@H]2CCC(=O)N(CC3CC3)CC2)c1C ZINC001506429129 1405765716 /nfs/dbraw/zinc/76/57/16/1405765716.db2.gz VNSBXAFOSHQIQF-INIZCTEOSA-N 1 0 331.460 2.588 50 0 EFAARO CCc1nccn1C[C@H](C)[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC001506428511 1405765855 /nfs/dbraw/zinc/76/58/55/1405765855.db2.gz XMBFGPZJTUCREG-HNNXBMFYSA-N 1 0 326.444 2.751 50 0 EFAARO CC(C)C1=NO[C@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)C1 ZINC001506431474 1405768344 /nfs/dbraw/zinc/76/83/44/1405768344.db2.gz LPGMCZKAJLHSNN-INIZCTEOSA-N 1 0 335.473 2.583 50 0 EFAARO CC1=CC2(CC[NH+](C[C@@H]3Cc4c(nc(C)nc4C)O3)CC2)OCC1 ZINC001704299021 1417900886 /nfs/dbraw/zinc/90/08/86/1417900886.db2.gz MXOXSRKBBIUCJV-INIZCTEOSA-N 1 0 329.444 2.598 50 0 EFAARO O[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1Cc1ccccn1 ZINC001704301173 1417901116 /nfs/dbraw/zinc/90/11/16/1417901116.db2.gz NIUBDGYALSXZEZ-DNVCBOLYSA-N 1 0 330.403 2.525 50 0 EFAARO Cc1cc(C[C@@H]2C[N@H+](CCCCOc3ccccc3)C[C@H]2O)on1 ZINC001704300945 1417901174 /nfs/dbraw/zinc/90/11/74/1417901174.db2.gz CAYFHLRJFCMPBH-VQIMIIECSA-N 1 0 330.428 2.677 50 0 EFAARO C[N@@H+]1CCC[C@]2(CO)CCN(Cc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC001704298082 1417901284 /nfs/dbraw/zinc/90/12/84/1417901284.db2.gz DGHCIQBOUBMXDI-IAGOWNOFSA-N 1 0 342.405 2.984 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)c1cc(C)cc(Cl)c1 ZINC001704309318 1417903498 /nfs/dbraw/zinc/90/34/98/1417903498.db2.gz QWLIRMUUHNRNKE-UHFFFAOYSA-N 1 0 334.851 2.884 50 0 EFAARO CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1[nH]cnc1C)c1ccccc1 ZINC001704311819 1417904040 /nfs/dbraw/zinc/90/40/40/1417904040.db2.gz SNFCMITVLLRTOZ-QGZVFWFLSA-N 1 0 328.460 2.802 50 0 EFAARO CCc1cc(C[N@@H+]2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)on1 ZINC001704314823 1417905605 /nfs/dbraw/zinc/90/56/05/1417905605.db2.gz VCQJMTIZBKPKCA-IBGZPJMESA-N 1 0 341.459 2.573 50 0 EFAARO CCCOc1ccccc1C(=O)N(CC[NH+](C)C)Cc1[nH]cnc1C ZINC001704324645 1417907245 /nfs/dbraw/zinc/90/72/45/1417907245.db2.gz CHGFBTIDIMBJIM-UHFFFAOYSA-N 1 0 344.459 2.711 50 0 EFAARO O[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1Cc1cnccn1 ZINC001704325706 1417907258 /nfs/dbraw/zinc/90/72/58/1417907258.db2.gz PVOBDOLRZVDVIN-CZUORRHYSA-N 1 0 337.345 2.531 50 0 EFAARO C[N@H+](Cc1c[nH]nc1-c1cccc(F)c1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001704335470 1417909601 /nfs/dbraw/zinc/90/96/01/1417909601.db2.gz AKJYZGUTKJFFEF-JKIFEVAISA-N 1 0 342.418 2.562 50 0 EFAARO Cc1cc2cc(C(=O)N3CC[C@@]4(CO)CCC[N@@H+](C)[C@@H]4C3)ccc2o1 ZINC001704337619 1417910439 /nfs/dbraw/zinc/91/04/39/1417910439.db2.gz AAMGFBXGHZDPRO-UYAOXDASSA-N 1 0 342.439 2.660 50 0 EFAARO CC(C)(C)c1ccc(C[N@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)cc1 ZINC001704338806 1417910903 /nfs/dbraw/zinc/91/09/03/1417910903.db2.gz ZTOCWGRADSMFSG-VQIMIIECSA-N 1 0 325.456 2.810 50 0 EFAARO C[N@@H+]1CCC[C@]2(CO)CCN(Cc3cccc(Cl)c3F)C[C@@H]12 ZINC001704339917 1417911511 /nfs/dbraw/zinc/91/15/11/1417911511.db2.gz QFPWEUCLHNIDSJ-NVXWUHKLSA-N 1 0 326.843 2.758 50 0 EFAARO CN(C)c1nccnc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC001704338746 1417911554 /nfs/dbraw/zinc/91/15/54/1417911554.db2.gz YOTWGQLNNYTFQB-UHFFFAOYSA-N 1 0 325.460 2.662 50 0 EFAARO Cc1ccc(OCC[N@H+]2C[C@@H](Cc3ccncc3)[C@H](O)C2)c(C)c1 ZINC001704342894 1417912825 /nfs/dbraw/zinc/91/28/25/1417912825.db2.gz GEQIANIMBVMAAE-RTBURBONSA-N 1 0 326.440 2.613 50 0 EFAARO O=c1cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)[nH]c2c(F)cccc12 ZINC000091350643 714493348 /nfs/dbraw/zinc/49/33/48/714493348.db2.gz YUHKNEXNFBWQPN-QGZVFWFLSA-N 1 0 330.334 2.630 50 0 EFAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2OC)C1 ZINC000022591466 714849996 /nfs/dbraw/zinc/84/99/96/714849996.db2.gz ZTHWQKUIIGODDC-MRXNPFEDSA-N 1 0 334.460 2.784 50 0 EFAARO OCC[C@@H]1CN(Cc2cccc3c2OCO3)CC[N@@H+]1C1CCCCC1 ZINC000022932555 715551207 /nfs/dbraw/zinc/55/12/07/715551207.db2.gz GSLCEGXHATUZHB-GOSISDBHSA-N 1 0 346.471 2.617 50 0 EFAARO Cc1ccnc(CNc2nc(CC3CC3)nc3c2CC[N@H+](C)CC3)c1 ZINC000096162064 717622549 /nfs/dbraw/zinc/62/25/49/717622549.db2.gz BYFZFEGKWXPYRQ-UHFFFAOYSA-N 1 0 337.471 2.775 50 0 EFAARO CC(C)=CC[N@@H+]1CCN(Cc2ccc3nsnc3c2)C[C@@H]1CCO ZINC000020599928 719477539 /nfs/dbraw/zinc/47/75/39/719477539.db2.gz IGOJKWAEYOPVQD-INIZCTEOSA-N 1 0 346.500 2.526 50 0 EFAARO COC(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccsc3)C2)cc1 ZINC000618257353 1108152246 /nfs/dbraw/zinc/15/22/46/1108152246.db2.gz UNAJPRNBFMSLJI-MRXNPFEDSA-N 1 0 344.436 2.539 50 0 EFAARO Cc1ccc2cccc(OCCNC(=O)[C@@H]3CCCC[N@H+]3C)c2n1 ZINC000097637855 219043616 /nfs/dbraw/zinc/04/36/16/219043616.db2.gz OZEMSHNBFGBOCF-INIZCTEOSA-N 1 0 327.428 2.523 50 0 EFAARO Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CCOc2ccccc2C1 ZINC000097655520 219044368 /nfs/dbraw/zinc/04/43/68/219044368.db2.gz ZHHVUGKMOGWTJS-INIZCTEOSA-N 1 0 325.412 2.560 50 0 EFAARO O=C(C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N1CCCCC1 ZINC000004725491 210261180 /nfs/dbraw/zinc/26/11/80/210261180.db2.gz BKCPTCMTVHDZBP-UHFFFAOYSA-N 1 0 330.428 2.640 50 0 EFAARO C[C@H](C[NH+]1CCCC1)OC(=O)COc1ccc(Br)cc1 ZINC000004723163 210260041 /nfs/dbraw/zinc/26/00/41/210260041.db2.gz NMFJUBUIQUYPCN-GFCCVEGCSA-N 1 0 342.233 2.855 50 0 EFAARO CC1(C)Cc2cc(C[NH+]3CCC(O)(Cn4ccnc4)CC3)ccc2O1 ZINC000097679849 219046964 /nfs/dbraw/zinc/04/69/64/219046964.db2.gz RTKCKDLXPXEVFF-UHFFFAOYSA-N 1 0 341.455 2.624 50 0 EFAARO Cc1cccc(CC2(NC(=O)C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000097681691 219047757 /nfs/dbraw/zinc/04/77/57/219047757.db2.gz QSJZALHMYDZQHC-SFHVURJKSA-N 1 0 330.472 2.686 50 0 EFAARO CCn1ncc(C(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1C ZINC000097698879 219049914 /nfs/dbraw/zinc/04/99/14/219049914.db2.gz CSIBGBSDTZNVDM-GOSISDBHSA-N 1 0 340.471 2.821 50 0 EFAARO Cc1cc(C)c2c(C[NH+]3CCC4(CC3)OCCO4)cc(=O)oc2c1 ZINC000054219989 214224841 /nfs/dbraw/zinc/22/48/41/214224841.db2.gz IFJZLNJTMWTALE-UHFFFAOYSA-N 1 0 329.396 2.749 50 0 biogenic,in-vitro EFAARO CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3-c3ccco3)C2)CC1 ZINC000097743632 219053532 /nfs/dbraw/zinc/05/35/32/219053532.db2.gz BXWUUHZFBQJYGY-GOSISDBHSA-N 1 0 325.456 2.768 50 0 EFAARO CC[C@@H](C[NH2+]Cc1cnc(-c2cccc(C)c2)nc1)N1CCOCC1 ZINC000055053038 214267392 /nfs/dbraw/zinc/26/73/92/214267392.db2.gz UUYFQOHFDLBMCG-IBGZPJMESA-N 1 0 340.471 2.652 50 0 EFAARO CCNC(=O)c1c(NC(=O)[C@@H]([NH3+])CC(C)C)sc2c1CCCC2 ZINC000055052713 214267506 /nfs/dbraw/zinc/26/75/06/214267506.db2.gz UCTZPWNLTAQBFH-LBPRGKRZSA-N 1 0 337.489 2.689 50 0 EFAARO COc1cccc2c1OCC(C[N@H+](C)[C@@H](C)Cc1cnccn1)=C2 ZINC000097743437 219053819 /nfs/dbraw/zinc/05/38/19/219053819.db2.gz BAQIAGDOVQSOCK-AWEZNQCLSA-N 1 0 325.412 2.824 50 0 EFAARO Cc1cc(NCC[NH+]2CCC(O)CC2)nc2cc3c(cc12)CCC3 ZINC000055152829 214279435 /nfs/dbraw/zinc/27/94/35/214279435.db2.gz GXGFSPDKQFUTIF-UHFFFAOYSA-N 1 0 325.456 2.901 50 0 EFAARO CNc1ncccc1C(=O)N(CC[NH+](C)C)Cc1ccccc1C ZINC000055168112 214283655 /nfs/dbraw/zinc/28/36/55/214283655.db2.gz IITXRSLFWDBJFV-UHFFFAOYSA-N 1 0 326.444 2.636 50 0 EFAARO COCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2C)o1 ZINC000055198439 214287080 /nfs/dbraw/zinc/28/70/80/214287080.db2.gz NLCJUBGOURREIV-UHFFFAOYSA-N 1 0 330.428 2.938 50 0 EFAARO CCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]([NH3+])Cc1cscn1 ZINC000055197380 214287155 /nfs/dbraw/zinc/28/71/55/214287155.db2.gz DEANGRULDIPALH-INIZCTEOSA-N 1 0 335.448 2.981 50 0 EFAARO CCN(CC1CCOCC1)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055227752 214292727 /nfs/dbraw/zinc/29/27/27/214292727.db2.gz QFVKHJUREXNNCX-KRWDZBQOSA-N 1 0 334.460 2.767 50 0 EFAARO O=C(N[C@@H]1CC[NH2+]C1)c1cccnc1SC/C=C/c1ccccc1 ZINC000055308549 214305616 /nfs/dbraw/zinc/30/56/16/214305616.db2.gz OWXQLYWXGMFNEM-CDVVCGDMSA-N 1 0 339.464 2.979 50 0 EFAARO COc1ccccc1C(=O)Nc1cccc(NC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000055327450 214307520 /nfs/dbraw/zinc/30/75/20/214307520.db2.gz HTMURSXBIPHCEI-QGZVFWFLSA-N 1 0 341.411 2.869 50 0 EFAARO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC000055271230 214298692 /nfs/dbraw/zinc/29/86/92/214298692.db2.gz DPTOFSOUNQXMIG-HXUWFJFHSA-N 1 0 345.487 2.579 50 0 EFAARO COc1ccc(O)c(C(=O)N(CC[NH+](C)C)Cc2sccc2C)c1 ZINC000055308213 214303924 /nfs/dbraw/zinc/30/39/24/214303924.db2.gz JKQDDNZVOCATEP-UHFFFAOYSA-N 1 0 348.468 2.975 50 0 EFAARO Cc1cc2oc(=O)cc(C)c2cc1NC(=O)N1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000097759299 219055594 /nfs/dbraw/zinc/05/55/94/219055594.db2.gz BMDCXCYKRQATRZ-KGLIPLIRSA-N 1 0 341.411 2.626 50 0 EFAARO CCCSc1ncc(C[NH2+]CCn2nnc3ccccc32)cn1 ZINC000055370118 214313056 /nfs/dbraw/zinc/31/30/56/214313056.db2.gz IDENTWXFJXQSTI-UHFFFAOYSA-N 1 0 328.445 2.513 50 0 EFAARO O=C(NCCCc1ccccc1O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055393280 214316773 /nfs/dbraw/zinc/31/67/73/214316773.db2.gz LWDAJLMLNDTFSS-KRWDZBQOSA-N 1 0 342.439 2.946 50 0 EFAARO O=C(CC12CC3CC(CC(C3)C1)C2)NCCC[N@H+]1CCC[C@H](CO)C1 ZINC000055359775 214311431 /nfs/dbraw/zinc/31/14/31/214311431.db2.gz RSKBOENXVDAEHB-PDRSHUBSSA-N 1 0 348.531 2.804 50 0 EFAARO CC[N@H+](Cc1cn(CCC(N)=O)c2ccccc12)Cc1ccncc1 ZINC000055403488 214319703 /nfs/dbraw/zinc/31/97/03/214319703.db2.gz VKBHAZPULOLCBQ-UHFFFAOYSA-N 1 0 336.439 2.934 50 0 EFAARO COCC[N@H+](Cc1sccc1C)Cc1ccccc1OCC(N)=O ZINC000055413982 214322756 /nfs/dbraw/zinc/32/27/56/214322756.db2.gz IJNJHOOAAATZSX-UHFFFAOYSA-N 1 0 348.468 2.569 50 0 EFAARO O=S(=O)(c1ccc(F)cc1)N1CC[NH+](C2CCCCCC2)CC1 ZINC000055487251 214326184 /nfs/dbraw/zinc/32/61/84/214326184.db2.gz RJLNYZBSRMALTO-UHFFFAOYSA-N 1 0 340.464 2.855 50 0 EFAARO CCNc1ncc(CN(CC[NH+](C)C)Cc2ccc(C)s2)cn1 ZINC000055575546 214332277 /nfs/dbraw/zinc/33/22/77/214332277.db2.gz UHEHAAQHRGDMGA-UHFFFAOYSA-N 1 0 333.505 2.842 50 0 EFAARO Fc1ccc(-c2n[nH]cc2CN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000097785571 219057378 /nfs/dbraw/zinc/05/73/78/219057378.db2.gz BSMLZUVZJAKUMW-UHFFFAOYSA-N 1 0 344.434 2.512 50 0 EFAARO Cc1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1Cl ZINC000097797562 219057701 /nfs/dbraw/zinc/05/77/01/219057701.db2.gz JRIDJUUFYWTFBG-CQSZACIVSA-N 1 0 328.287 2.781 50 0 EFAARO C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(COC(=O)O2)CC1 ZINC000097819439 219059086 /nfs/dbraw/zinc/05/90/86/219059086.db2.gz AMJIBFPGFWAQMF-CYBMUJFWSA-N 1 0 333.384 2.595 50 0 EFAARO CC[NH+](CC)CCC(=O)Nc1c2cc(C)ccc2[nH]c1C(=O)OC ZINC000004503579 210207055 /nfs/dbraw/zinc/20/70/55/210207055.db2.gz KKMAMQLWMZZHRD-UHFFFAOYSA-N 1 0 331.416 2.933 50 0 EFAARO C[NH+](C)CCn1c2ccccc2nc1NCc1ccc2c(c1)OCO2 ZINC000004454210 210193459 /nfs/dbraw/zinc/19/34/59/210193459.db2.gz GRBOMFRQGGVBLV-UHFFFAOYSA-N 1 0 338.411 2.939 50 0 EFAARO O=c1cc(C[NH+]2CCC(Oc3ccccc3)CC2)nc2ccccn12 ZINC000064793283 214805501 /nfs/dbraw/zinc/80/55/01/214805501.db2.gz PIUFFUWGAPBWHA-UHFFFAOYSA-N 1 0 335.407 2.738 50 0 EFAARO CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3ccc(C)cc23)CC1 ZINC000004353940 210176878 /nfs/dbraw/zinc/17/68/78/210176878.db2.gz NPPCSPRTUWJLQJ-UHFFFAOYSA-N 1 0 329.396 2.877 50 0 biogenic EFAARO CC1(C)CC(Nc2c(=O)c(=O)c2NCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000101666003 219154359 /nfs/dbraw/zinc/15/43/59/219154359.db2.gz RQXJAAZPEBDSMY-UHFFFAOYSA-N 1 0 341.455 2.616 50 0 EFAARO Cc1cc(C)n(C[C@H](C)Nc2ncnc3sc4c(c32)CC[NH2+]C4)n1 ZINC000065535599 214950916 /nfs/dbraw/zinc/95/09/16/214950916.db2.gz UNPVXMANQADAGE-NSHDSACASA-N 1 0 342.472 2.651 50 0 EFAARO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH2+]CCc1ccccc1 ZINC000004108280 210121705 /nfs/dbraw/zinc/12/17/05/210121705.db2.gz CQWMYAPQINKJRK-HNNXBMFYSA-N 1 0 337.423 2.583 50 0 EFAARO CC(C)c1noc([C@H]2CCCN2C(=O)CC2=CSC3=NCCN23)n1 ZINC000101955143 219175511 /nfs/dbraw/zinc/17/55/11/219175511.db2.gz UYGDIZZAOGQPIP-GFCCVEGCSA-N 1 0 347.444 2.506 50 0 EFAARO C[NH+]1CCN(c2ccc(-c3oc4ccccc4c(=O)c3O)cc2)CC1 ZINC000102482486 219206656 /nfs/dbraw/zinc/20/66/56/219206656.db2.gz UPZNFFPBCDPQCP-UHFFFAOYSA-N 1 0 336.391 2.917 50 0 EFAARO COc1cccc(-c2cc3c(N4CCC[N@H+](C)CC4)nccn3n2)c1 ZINC000067284933 215130451 /nfs/dbraw/zinc/13/04/51/215130451.db2.gz AGGAGDYVIJEZOH-UHFFFAOYSA-N 1 0 337.427 2.547 50 0 EFAARO CCCC(=O)NC[C@H]1CCCN(Cc2[nH+]c(C)n3ccccc23)C1 ZINC000067491052 215154596 /nfs/dbraw/zinc/15/45/96/215154596.db2.gz VLASARCPVPXRNS-MRXNPFEDSA-N 1 0 328.460 2.771 50 0 EFAARO CC(=O)c1ccc(OCc2nc(CC3CC[NH+](C)CC3)no2)cc1 ZINC000067491150 215155119 /nfs/dbraw/zinc/15/51/19/215155119.db2.gz RJHVVYVHJQPZEK-UHFFFAOYSA-N 1 0 329.400 2.736 50 0 EFAARO C[C@]1(C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)CCC[NH2+]C1 ZINC000067588803 215165649 /nfs/dbraw/zinc/16/56/49/215165649.db2.gz GLJXBVJUULPZRL-IBGZPJMESA-N 1 0 343.402 2.755 50 0 EFAARO CCc1ncc(C[N@@H+]2CC[C@H](CNC(=O)C3CCCCC3)C2)cn1 ZINC000067588281 215165990 /nfs/dbraw/zinc/16/59/90/215165990.db2.gz JSGUAIJPUYONGI-OAHLLOKOSA-N 1 0 330.476 2.557 50 0 EFAARO COCC[C@H]1CCCC[N@@H+]1Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000067561778 215162253 /nfs/dbraw/zinc/16/22/53/215162253.db2.gz CCOZHLBSVAJINH-MRXNPFEDSA-N 1 0 330.428 2.928 50 0 EFAARO O=C(Cc1c[nH]c2ccccc12)NC[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000067603460 215167158 /nfs/dbraw/zinc/16/71/58/215167158.db2.gz HMZYHYXQLWIKQV-OAHLLOKOSA-N 1 0 337.423 2.942 50 0 EFAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)C(C)(C)[NH3+])C2)cc1 ZINC000067642155 215172202 /nfs/dbraw/zinc/17/22/02/215172202.db2.gz FHKBRDWIFLSCEW-HNNXBMFYSA-N 1 0 326.444 2.828 50 0 EFAARO O=C(NC[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1)c1cncs1 ZINC000067673349 215179197 /nfs/dbraw/zinc/17/91/97/215179197.db2.gz PCYUCPZLKBXWLQ-CYBMUJFWSA-N 1 0 340.452 2.876 50 0 EFAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCO[C@@H](CC[NH3+])C1 ZINC000067675220 215181282 /nfs/dbraw/zinc/18/12/82/215181282.db2.gz MEZBXMJBIWHNSZ-HNNXBMFYSA-N 1 0 335.835 2.853 50 0 EFAARO COc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](C3CCOCC3)C2)c1 ZINC000067713648 215194154 /nfs/dbraw/zinc/19/41/54/215194154.db2.gz PBLHKCJWSVHFNV-OAHLLOKOSA-N 1 0 347.459 2.708 50 0 EFAARO c1cn(C[C@@H]2CCC[N@H+](Cc3cnc(-c4ccccn4)nc3)C2)cn1 ZINC000067694580 215187952 /nfs/dbraw/zinc/18/79/52/215187952.db2.gz CRKPKHHQLNABAX-MRXNPFEDSA-N 1 0 334.427 2.647 50 0 EFAARO O=C([C@@H]1CCCO1)N1CCC([NH2+]Cc2csc3c2CCCC3)CC1 ZINC000067754374 215202996 /nfs/dbraw/zinc/20/29/96/215202996.db2.gz HEWDQQODXSLWOK-KRWDZBQOSA-N 1 0 348.512 2.887 50 0 EFAARO CC(C)Oc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000067755452 215203319 /nfs/dbraw/zinc/20/33/19/215203319.db2.gz RKUGVONFNAJFEE-SFHVURJKSA-N 1 0 346.471 2.535 50 0 EFAARO O=C(NCc1cccnc1Oc1ccc(F)cc1F)[C@@H]1CCC[NH2+]1 ZINC000067755713 215203329 /nfs/dbraw/zinc/20/33/29/215203329.db2.gz MKXQDOCEJNQPKP-AWEZNQCLSA-N 1 0 333.338 2.520 50 0 EFAARO CC(C)n1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccncc3)C2)c1 ZINC000067725519 215195633 /nfs/dbraw/zinc/19/56/33/215195633.db2.gz TWANTXJGFNMWGL-INIZCTEOSA-N 1 0 326.444 2.716 50 0 EFAARO CC(C)(C[NH+]1CCC([C@@H](O)c2cccs2)CC1)N1CCOCC1 ZINC000067739520 215199732 /nfs/dbraw/zinc/19/97/32/215199732.db2.gz LMRCHSUZGJKBNL-QGZVFWFLSA-N 1 0 338.517 2.604 50 0 EFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CC2(Cn3ccnc3)CC2)cc1 ZINC000067742882 215200875 /nfs/dbraw/zinc/20/08/75/215200875.db2.gz IPXKIWNIYHTDHA-UHFFFAOYSA-N 1 0 325.391 2.982 50 0 EFAARO Cc1ccccc1Oc1ncccc1CNC(=O)[C@@H](C)C[NH+](C)C ZINC000067757597 215205256 /nfs/dbraw/zinc/20/52/56/215205256.db2.gz AUAPMBXVLOLRMI-HNNXBMFYSA-N 1 0 327.428 2.996 50 0 EFAARO COc1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cn1cccn1 ZINC000067756422 215205437 /nfs/dbraw/zinc/20/54/37/215205437.db2.gz OALXFWOCSVTOOU-FQEVSTJZSA-N 1 0 340.471 2.516 50 0 EFAARO Cc1ccc(C(=O)NC[C@@H]2CCN(Cc3ccc(Cl)nc3)C2)cn1 ZINC000067771168 215207778 /nfs/dbraw/zinc/20/77/78/215207778.db2.gz RYUKSSBFSCPVNQ-HNNXBMFYSA-N 1 0 344.846 2.690 50 0 EFAARO COc1cccc(C[NH+]2CCC(O)(c3ccc(C)cn3)CC2)c1OC ZINC000067784041 215210483 /nfs/dbraw/zinc/21/04/83/215210483.db2.gz HXFPGEQNRMKSCV-UHFFFAOYSA-N 1 0 342.439 2.891 50 0 EFAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3Cc4ccccc4C3)cnn2c1 ZINC000067788968 215213987 /nfs/dbraw/zinc/21/39/87/215213987.db2.gz 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ZINC000067817400 215219989 /nfs/dbraw/zinc/21/99/89/215219989.db2.gz RVQJZVBDHSGQJQ-HNNXBMFYSA-N 1 0 349.438 2.518 50 0 EFAARO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(N3Cc4ccccc4C3)c2)C1 ZINC000067818916 215221119 /nfs/dbraw/zinc/22/11/19/215221119.db2.gz UHWVBKNBFIDQLL-MRXNPFEDSA-N 1 0 335.451 2.888 50 0 EFAARO CCC(=O)NCc1ccccc1-c1cc2c(c(F)c1)O[C@H](C[NH3+])C2 ZINC000067821813 215222937 /nfs/dbraw/zinc/22/29/37/215222937.db2.gz ODIZMRQWBNTVPQ-HNNXBMFYSA-N 1 0 328.387 2.781 50 0 EFAARO COc1ccc(C(=O)N2CCC(OCC3=CCC[N@H+](C)C3)CC2)cc1 ZINC000067834031 215224910 /nfs/dbraw/zinc/22/49/10/215224910.db2.gz FMYGPJVDNBXXSY-UHFFFAOYSA-N 1 0 344.455 2.578 50 0 EFAARO CCC[C@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cc(C)ccc2F)C1=O ZINC000067867406 215234676 /nfs/dbraw/zinc/23/46/76/215234676.db2.gz WWOBVIPRXHRHBH-LJQANCHMSA-N 1 0 347.434 2.724 50 0 EFAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)CCC[NH3+])CCO2 ZINC000067871451 215235994 /nfs/dbraw/zinc/23/59/94/215235994.db2.gz OYSZPUAUKGQAQE-UHFFFAOYSA-N 1 0 340.423 2.828 50 0 EFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]C2CCN(Cc3cccnc3)CC2)n1 ZINC000067868849 215236546 /nfs/dbraw/zinc/23/65/46/215236546.db2.gz ICQVQMZHSROJPE-MRXNPFEDSA-N 1 0 327.476 2.538 50 0 EFAARO O=C(NC[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1)c1cncnc1 ZINC000067886586 215241840 /nfs/dbraw/zinc/24/18/40/215241840.db2.gz ODXDDZIHAHOFBG-OAHLLOKOSA-N 1 0 349.438 2.600 50 0 EFAARO Cn1cc(NC(=O)c2cccc(C[N@H+](C)CCc3ccccn3)c2)cn1 ZINC000067885377 215240422 /nfs/dbraw/zinc/24/04/22/215240422.db2.gz LEFVRUGYUUBIOE-UHFFFAOYSA-N 1 0 349.438 2.742 50 0 EFAARO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)CC[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000067919740 215249632 /nfs/dbraw/zinc/24/96/32/215249632.db2.gz JWOUBXUMKVJZMM-OCCSQVGLSA-N 1 0 330.407 2.535 50 0 EFAARO O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000067908867 215248640 /nfs/dbraw/zinc/24/86/40/215248640.db2.gz XCWDBIWICOZWJL-KRWDZBQOSA-N 1 0 337.427 2.531 50 0 EFAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccco2)C1)c1cn2ccsc2n1 ZINC000067909648 215248735 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CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000067982128 215267292 /nfs/dbraw/zinc/26/72/92/215267292.db2.gz UJNBFZJPDIWMMF-OAHLLOKOSA-N 1 0 341.455 2.626 50 0 EFAARO CCNC(=O)Cc1ccc(C[C@@H]2CC[C@H](C[NH+]3CCCC3)O2)cc1 ZINC000067983007 215267387 /nfs/dbraw/zinc/26/73/87/215267387.db2.gz WBOGMFCNCNRFKV-RBUKOAKNSA-N 1 0 330.472 2.551 50 0 EFAARO Cc1cnc(C(=O)NC[C@H]2CC[N@H+](C/C=C/c3ccccc3)C2)cn1 ZINC000067983350 215267900 /nfs/dbraw/zinc/26/79/00/215267900.db2.gz DFZFEXMJFJRUKI-KRZKXXONSA-N 1 0 336.439 2.550 50 0 EFAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067983519 215268057 /nfs/dbraw/zinc/26/80/57/215268057.db2.gz OZFBJLYXNBKACY-HNNXBMFYSA-N 1 0 344.411 2.648 50 0 EFAARO CC(C)[N@@H+]1CCN(Cc2ccc3cccc(F)c3n2)C[C@H]1CCO ZINC000104380571 219382104 /nfs/dbraw/zinc/38/21/04/219382104.db2.gz JRUHYGZWPFSMJR-QGZVFWFLSA-N 1 0 331.435 2.651 50 0 EFAARO Cc1ncc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)s1 ZINC000104411873 219385044 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CCCn1ncc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c1C ZINC000039442961 213236809 /nfs/dbraw/zinc/23/68/09/213236809.db2.gz XAMXCWJUWGOWFQ-GOSISDBHSA-N 1 0 336.524 2.516 50 0 EFAARO CCCCc1nc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)c[nH]1 ZINC000039362351 213235034 /nfs/dbraw/zinc/23/50/34/213235034.db2.gz INDWRPZBPSBWSA-GOSISDBHSA-N 1 0 336.524 2.667 50 0 EFAARO O=C(COc1ccc(Cl)cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000036610926 213100660 /nfs/dbraw/zinc/10/06/60/213100660.db2.gz QNNQRLQYQAXZRW-GFCCVEGCSA-N 1 0 329.227 2.679 50 0 EFAARO Cc1nc(COc2ccc(C)cc2)sc1C(=O)NCC[NH+](C)C ZINC000036107984 213069209 /nfs/dbraw/zinc/06/92/09/213069209.db2.gz JRNRWXXOSUMAGV-UHFFFAOYSA-N 1 0 333.457 2.630 50 0 EFAARO C[NH+](C)CCNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000035248999 213015391 /nfs/dbraw/zinc/01/53/91/213015391.db2.gz DGAHEOGGOGLLGJ-UHFFFAOYSA-N 1 0 334.423 2.831 50 0 EFAARO C[NH+](C)[C@@H]1CCN(c2cc(-c3ccccc3F)nc3ccnn32)C1 ZINC000072129181 216018934 /nfs/dbraw/zinc/01/89/34/216018934.db2.gz KHSNJSJCAPAZNM-CYBMUJFWSA-N 1 0 325.391 2.676 50 0 EFAARO O=C(c1cncc(F)c1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072129061 216019211 /nfs/dbraw/zinc/01/92/11/216019211.db2.gz SVYWDIJDFCLEQI-LJQANCHMSA-N 1 0 339.414 2.536 50 0 EFAARO O=C(c1cncc(F)c1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072129060 216019581 /nfs/dbraw/zinc/01/95/81/216019581.db2.gz SVYWDIJDFCLEQI-IBGZPJMESA-N 1 0 339.414 2.536 50 0 EFAARO CCCOCC[N@@H+]1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072123904 216016516 /nfs/dbraw/zinc/01/65/16/216016516.db2.gz IFKIQRVZYLOKBJ-PWRODBHTSA-N 1 0 344.499 2.984 50 0 EFAARO CN1C[C@@]2(CCC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)CC2)OC1=O ZINC000072123930 216016522 /nfs/dbraw/zinc/01/65/22/216016522.db2.gz SAVCTSKEMOAYGQ-KRWDZBQOSA-N 1 0 346.456 2.945 50 0 EFAARO COC(=O)c1n[nH]cc1C[N@@H+]1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000072130969 216020489 /nfs/dbraw/zinc/02/04/89/216020489.db2.gz MNRBCWLDNXOIMJ-INIZCTEOSA-N 1 0 343.427 2.889 50 0 EFAARO CCOc1ccc2c(C)c(C(=O)N[C@H]3CC[C@H]3[NH3+])oc2c1OCC ZINC000072130886 216021284 /nfs/dbraw/zinc/02/12/84/216021284.db2.gz OZWRDIPTTHHBMB-OLZOCXBDSA-N 1 0 332.400 2.758 50 0 EFAARO c1[nH]c2ccccc2c1-c1nc2c(c(NCC[NH+]3CCCC3)n1)CNC2 ZINC000072145945 216032047 /nfs/dbraw/zinc/03/20/47/216032047.db2.gz AGUKHNOKDAEECE-UHFFFAOYSA-N 1 0 348.454 2.736 50 0 EFAARO CC(C)C/C=C(\CN1CCO[C@@]2(C1)C[NH2+]CCOC2)c1ccccc1 ZINC000072145407 216032121 /nfs/dbraw/zinc/03/21/21/216032121.db2.gz QOWBBMBXIOVWTP-GQLSTRLCSA-N 1 0 344.499 2.807 50 0 EFAARO c1cn(-c2ccc(C[N@H+]3CCCN(Cc4cccnc4)CC3)cc2)cn1 ZINC000072151647 216039442 /nfs/dbraw/zinc/03/94/42/216039442.db2.gz XEVNQGQUBAZVGW-UHFFFAOYSA-N 1 0 347.466 2.975 50 0 EFAARO Cc1nnnn1CCC[N@@H+]1CCC[C@H](CCc2ccccc2F)C1 ZINC000072151878 216040373 /nfs/dbraw/zinc/04/03/73/216040373.db2.gz NVKDEPQCVAAZNF-MRXNPFEDSA-N 1 0 331.439 2.856 50 0 EFAARO Cc1nnnn1CCC[N@@H+]1CCC[C@@H](CCc2ccccc2F)C1 ZINC000072151879 216040592 /nfs/dbraw/zinc/04/05/92/216040592.db2.gz NVKDEPQCVAAZNF-INIZCTEOSA-N 1 0 331.439 2.856 50 0 EFAARO CC(C)Cc1nc(CN(Cc2cccnc2)C2CC[NH+](C)CC2)no1 ZINC000072153581 216041934 /nfs/dbraw/zinc/04/19/34/216041934.db2.gz ZFOZIDVAWSVELL-UHFFFAOYSA-N 1 0 343.475 2.760 50 0 EFAARO Cc1nnnn1CCC[N@@H+]1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000072147574 216035059 /nfs/dbraw/zinc/03/50/59/216035059.db2.gz YYLPCORIFSLBJV-MRXNPFEDSA-N 1 0 349.429 2.995 50 0 EFAARO Cc1nc([C@H]2CCC[N@H+](Cc3nc4ccccc4nc3C)C2)cc(=O)[nH]1 ZINC000072147953 216035812 /nfs/dbraw/zinc/03/58/12/216035812.db2.gz CTELFHDDYIBAEC-HNNXBMFYSA-N 1 0 349.438 2.710 50 0 EFAARO CN(Cc1csc(-c2ccccc2)n1)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072148693 216036353 /nfs/dbraw/zinc/03/63/53/216036353.db2.gz LYSBFPBOSJWDIU-UHFFFAOYSA-N 1 0 339.468 2.742 50 0 EFAARO Cc1ccc2nc(C[N@@H+]3CCCC[C@@H]3CCN3CCOCC3)cn2c1 ZINC000072150162 216037686 /nfs/dbraw/zinc/03/76/86/216037686.db2.gz LTAXEDDBULYGOF-LJQANCHMSA-N 1 0 342.487 2.720 50 0 EFAARO OC[C@]12CCC[NH2+][C@@H]1CCN(Cc1cccc(-c3ccccn3)c1)C2 ZINC000072162359 216050794 /nfs/dbraw/zinc/05/07/94/216050794.db2.gz PITPRVWNNRPKOT-NHCUHLMSSA-N 1 0 337.467 2.685 50 0 EFAARO COc1cc2c(cc1CN1CCC[C@H]([NH+](C)C)CC1)OCCCO2 ZINC000072154475 216043817 /nfs/dbraw/zinc/04/38/17/216043817.db2.gz IXOOLCCLYJMTQY-INIZCTEOSA-N 1 0 334.460 2.773 50 0 EFAARO Oc1cccc([C@@H]2C[N@H+](Cc3cccnc3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072154643 216043940 /nfs/dbraw/zinc/04/39/40/216043940.db2.gz WLBFDDDPJFGWAG-PWRODBHTSA-N 1 0 335.451 2.849 50 0 EFAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000072158833 216047975 /nfs/dbraw/zinc/04/79/75/216047975.db2.gz FMXWTHJZHDSLGG-MRXNPFEDSA-N 1 0 326.444 2.658 50 0 EFAARO CC(C)Cn1cncc1CNc1nc(-c2ccncc2)nc2c1C[NH2+]C2 ZINC000072157990 216048093 /nfs/dbraw/zinc/04/80/93/216048093.db2.gz HBZRGNGTIQZATN-UHFFFAOYSA-N 1 0 349.442 2.606 50 0 EFAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(-c3ccco3)c2)CC1 ZINC000072164079 216053405 /nfs/dbraw/zinc/05/34/05/216053405.db2.gz MTAYBXQXYKQXJG-FQEVSTJZSA-N 1 0 342.439 2.865 50 0 EFAARO Cc1nnnn1CCC[N@@H+]1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000072167670 216056849 /nfs/dbraw/zinc/05/68/49/216056849.db2.gz KKLDWGPKAQOQEJ-HNNXBMFYSA-N 1 0 349.429 2.995 50 0 EFAARO Cn1ncc(C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)c1C1CC1 ZINC000072167405 216058388 /nfs/dbraw/zinc/05/83/88/216058388.db2.gz SDPHGLQTTBLBBE-SFHVURJKSA-N 1 0 326.444 2.874 50 0 EFAARO Cc1c[nH+]ccc1NCCNc1nc(C(C)(C)C)nc2c1cnn2C ZINC000072168196 216059991 /nfs/dbraw/zinc/05/99/91/216059991.db2.gz LQQPPACFWUAJDQ-UHFFFAOYSA-N 1 0 339.447 2.888 50 0 EFAARO [NH3+][C@H]1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)C1 ZINC000072171511 216062367 /nfs/dbraw/zinc/06/23/67/216062367.db2.gz VPQRESUXZOXIBE-KRWDZBQOSA-N 1 0 349.438 2.844 50 0 EFAARO Cc1cc(C[C@@H](C)NC(=O)c2cccc(CC3CC[NH2+]CC3)c2)[nH]n1 ZINC000072167980 216059114 /nfs/dbraw/zinc/05/91/14/216059114.db2.gz LSEJRLRJMNCERM-CQSZACIVSA-N 1 0 340.471 2.621 50 0 EFAARO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072270585 216093866 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C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(CCC(C)(C)O)c3)C2)C1 ZINC000072418316 216206339 /nfs/dbraw/zinc/20/63/39/216206339.db2.gz QHBRAJKNJRNLFB-FQEVSTJZSA-N 1 0 330.472 2.558 50 0 EFAARO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CCC(C)(C)O)c3)C2)C1 ZINC000072418317 216206447 /nfs/dbraw/zinc/20/64/47/216206447.db2.gz QHBRAJKNJRNLFB-HXUWFJFHSA-N 1 0 330.472 2.558 50 0 EFAARO C[N@H+](CCN1CCCCC1=O)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072419177 216207211 /nfs/dbraw/zinc/20/72/11/216207211.db2.gz ITGLSRWHOMHFKH-UHFFFAOYSA-N 1 0 332.488 2.834 50 0 EFAARO CCOc1cc(C)c(C)cc1S(=O)(=O)NCCC[NH+](CC)CC ZINC000072414639 216205221 /nfs/dbraw/zinc/20/52/21/216205221.db2.gz MDIINGQFZMUXCS-UHFFFAOYSA-N 1 0 342.505 2.712 50 0 EFAARO C[N@H+](CCN1CCOCC1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000072419735 216208067 /nfs/dbraw/zinc/20/80/67/216208067.db2.gz HLLVQBCTTJYZMA-UHFFFAOYSA-N 1 0 340.427 2.587 50 0 EFAARO Cc1ncc2c(c1CNC(=O)c1cc3cc(F)ccc3[nH]1)CC[NH2+]C2 ZINC000072419842 216208620 /nfs/dbraw/zinc/20/86/20/216208620.db2.gz 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216225166 /nfs/dbraw/zinc/22/51/66/216225166.db2.gz FMMMHGDHQDFQTM-FQEVSTJZSA-N 1 0 345.487 2.713 50 0 EFAARO Cc1cc(CNc2nc(-c3ccccc3)nc3c2CC[NH2+]CC3)on1 ZINC000072431746 216225980 /nfs/dbraw/zinc/22/59/80/216225980.db2.gz NNNPIOFHWHUINR-UHFFFAOYSA-N 1 0 335.411 2.740 50 0 EFAARO O=C(c1cncc(F)c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072436418 216230780 /nfs/dbraw/zinc/23/07/80/216230780.db2.gz WBEYNXRAXLZWIY-UHFFFAOYSA-N 1 0 339.414 2.884 50 0 EFAARO CCCCC(=O)N1CCN(c2nc(N3CCCCC3)cc(C)[nH+]2)CC1 ZINC000072436901 216232766 /nfs/dbraw/zinc/23/27/66/216232766.db2.gz VWXDKPOPPGJBHU-UHFFFAOYSA-N 1 0 345.491 2.614 50 0 EFAARO CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2ccc(C)c(F)c2)n1 ZINC000072436993 216232876 /nfs/dbraw/zinc/23/28/76/216232876.db2.gz MUJDUAGHBLFLDC-UHFFFAOYSA-N 1 0 346.410 2.898 50 0 EFAARO CCn1c(C)cc(C(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)c1C ZINC000072440531 216235142 /nfs/dbraw/zinc/23/51/42/216235142.db2.gz BGAHWKOIQMZACT-MRXNPFEDSA-N 1 0 347.503 2.698 50 0 EFAARO Cc1cc(C(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)sc1C ZINC000072448023 216237099 /nfs/dbraw/zinc/23/70/99/216237099.db2.gz ZJRGGWJKTWYLNF-AWEZNQCLSA-N 1 0 336.501 2.938 50 0 EFAARO Cn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072447172 216237184 /nfs/dbraw/zinc/23/71/84/216237184.db2.gz VMEYCPOKCOBGNA-GOSISDBHSA-N 1 0 342.487 2.898 50 0 EFAARO C[C@H](O)CNc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072454177 216240442 /nfs/dbraw/zinc/24/04/42/216240442.db2.gz SCQQHMCAXLJSDL-ZDUSSCGKSA-N 1 0 346.862 2.592 50 0 EFAARO CCc1nc2c(c(NCc3ccc(OC)c(F)c3F)n1)CC[NH2+]CC2 ZINC000072456582 216243170 /nfs/dbraw/zinc/24/31/70/216243170.db2.gz JXEQFSNSKSJXAJ-UHFFFAOYSA-N 1 0 348.397 2.626 50 0 EFAARO CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1cccc(O)c1)CC2 ZINC000072458466 216244099 /nfs/dbraw/zinc/24/40/99/216244099.db2.gz FDQLRWGTPRCHCV-KRWDZBQOSA-N 1 0 332.444 2.543 50 0 EFAARO CCOCc1nc2c(c(N[C@@H](C)c3cccs3)n1)CC[NH2+]CC2 ZINC000072472801 216249797 /nfs/dbraw/zinc/24/97/97/216249797.db2.gz 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ZINC000072479886 216260676 /nfs/dbraw/zinc/26/06/76/216260676.db2.gz HZOYGNFLBCSSJZ-IBGZPJMESA-N 1 0 334.423 2.921 50 0 EFAARO CCc1ccc(C(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)s1 ZINC000072479935 216260747 /nfs/dbraw/zinc/26/07/47/216260747.db2.gz CRGGHMJECQTCPU-AWEZNQCLSA-N 1 0 336.501 2.883 50 0 EFAARO CC(C)(O)CCc1ccc(C[NH+]2CCC3(COC(=O)O3)CC2)cc1 ZINC000072481462 216262132 /nfs/dbraw/zinc/26/21/32/216262132.db2.gz DYYVUMVZNLECIC-UHFFFAOYSA-N 1 0 333.428 2.892 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000073202091 216363426 /nfs/dbraw/zinc/36/34/26/216363426.db2.gz CGMDZRLWGKHLAT-INIZCTEOSA-N 1 0 331.504 2.920 50 0 EFAARO O=C(C1CC[NH+](C[C@]2(c3ccccc3)CCOC2)CC1)N1CCCC1 ZINC000215647808 283759767 /nfs/dbraw/zinc/75/97/67/283759767.db2.gz MVEPLIOTWHPWSN-OAQYLSRUSA-N 1 0 342.483 2.679 50 0 EFAARO CCOc1ccc(CN2CC[N@@H+](C3CCCC3)C[C@@H]2CCO)cc1 ZINC000023375425 212372451 /nfs/dbraw/zinc/37/24/51/212372451.db2.gz JSWLOTNLJLCIRE-IBGZPJMESA-N 1 0 332.488 2.897 50 0 EFAARO Cc1nc2sccn2c1CN1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000023375101 212371621 /nfs/dbraw/zinc/37/16/21/212371621.db2.gz DKVGNIRIGCWLIX-INIZCTEOSA-N 1 0 348.516 2.515 50 0 EFAARO CCC(CC)[NH+]1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 ZINC000023368820 212369891 /nfs/dbraw/zinc/36/98/91/212369891.db2.gz FHEKWAOOFCPCPZ-UHFFFAOYSA-N 1 0 333.480 2.730 50 0 EFAARO COc1cc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)cc2c1OCO2 ZINC000023340534 212369122 /nfs/dbraw/zinc/36/91/22/212369122.db2.gz XLEBDICIUVMPGY-AWEZNQCLSA-N 1 0 343.379 2.526 50 0 EFAARO C[N@@H+]1CCC[C@H](c2cc(=O)[nH]c(-c3cc(Cl)nc(Cl)c3)n2)C1 ZINC000023159043 212357078 /nfs/dbraw/zinc/35/70/78/212357078.db2.gz FMVSDKDYRFLZDA-VIFPVBQESA-N 1 0 339.226 2.948 50 0 EFAARO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023127375 212350503 /nfs/dbraw/zinc/35/05/03/212350503.db2.gz UXOWOCLPPWEXPD-UHFFFAOYSA-N 1 0 343.471 2.704 50 0 EFAARO COc1ccc(CN2CC[N@H+](CC(C)(C)C)C[C@@H]2CCO)cc1C ZINC000022852903 212329772 /nfs/dbraw/zinc/32/97/72/212329772.db2.gz BQMUIBJMQMUHIY-SFHVURJKSA-N 1 0 334.504 2.918 50 0 EFAARO CC(C)Cc1cc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)[nH]n1 ZINC000022851498 212329719 /nfs/dbraw/zinc/32/97/19/212329719.db2.gz XDDDLPYBTYBZTA-HXUWFJFHSA-N 1 0 348.535 2.810 50 0 EFAARO Cc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022785878 212325388 /nfs/dbraw/zinc/32/53/88/212325388.db2.gz WSZOBSUZPJGEJK-FQEVSTJZSA-N 1 0 340.467 2.553 50 0 EFAARO COc1cc(OC)c(C[NH2+]C[C@@H](c2ccco2)N(C)C)c(OC)c1 ZINC000022787464 212325159 /nfs/dbraw/zinc/32/51/59/212325159.db2.gz HDAIWPRPSYJSAE-HNNXBMFYSA-N 1 0 334.416 2.698 50 0 EFAARO Cc1ccc([C@@H](CNC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022582455 212308485 /nfs/dbraw/zinc/30/84/85/212308485.db2.gz CTEDGXYMRJYEEK-QGZVFWFLSA-N 1 0 343.496 2.775 50 0 EFAARO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c(OC)c1 ZINC000022687725 212317334 /nfs/dbraw/zinc/31/73/34/212317334.db2.gz FQTNAPPXCJUDTL-CQSZACIVSA-N 1 0 334.441 2.798 50 0 EFAARO COCc1cc(C[NH+]2CCC(c3nccn3C)CC2)ccc1OC ZINC000216009234 240231375 /nfs/dbraw/zinc/23/13/75/240231375.db2.gz NIDPOJNQSYCXQA-UHFFFAOYSA-N 1 0 329.444 2.955 50 0 EFAARO COc1c(F)ccc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1F ZINC000215356205 241120462 /nfs/dbraw/zinc/12/04/62/241120462.db2.gz BQEFWRFIFKXINR-AWEZNQCLSA-N 1 0 340.414 2.518 50 0 EFAARO COc1cc(C[N@@H+]2CC[C@](O)(c3ccccc3C)C2)cc2c1OCO2 ZINC000215327392 241120994 /nfs/dbraw/zinc/12/09/94/241120994.db2.gz DKAMILIJGCZFCI-HXUWFJFHSA-N 1 0 341.407 2.826 50 0 EFAARO CC(C)c1ncc(CN2CCC([C@H](C)[NH+]3CCOCC3)CC2)cn1 ZINC000215166598 241112736 /nfs/dbraw/zinc/11/27/36/241112736.db2.gz YGXPBKLJRSPMSV-INIZCTEOSA-N 1 0 332.492 2.533 50 0 EFAARO Cc1nc2ccc(C)cn2c1C(=O)N1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000215714499 241139313 /nfs/dbraw/zinc/13/93/13/241139313.db2.gz VJGRTIXUIIMFAS-AWEZNQCLSA-N 1 0 326.444 2.650 50 0 EFAARO C[N@H+](CC[C@H](O)c1ccccc1)Cc1cnc(N2CCOCC2)s1 ZINC000215813530 241147204 /nfs/dbraw/zinc/14/72/04/241147204.db2.gz SNOTTXSGMYIFFM-KRWDZBQOSA-N 1 0 347.484 2.535 50 0 EFAARO CC[C@H]1CN(Cc2ccccc2OCCCn2ccnc2)CC[N@@H+]1C ZINC000215813188 241148814 /nfs/dbraw/zinc/14/88/14/241148814.db2.gz LEEFMSRCEPGAKH-IBGZPJMESA-N 1 0 342.487 2.878 50 0 EFAARO c1nc(C2CCCCC2)ncc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000215904680 241153278 /nfs/dbraw/zinc/15/32/78/241153278.db2.gz UALNBVHAVTZFFW-UHFFFAOYSA-N 1 0 344.503 2.821 50 0 EFAARO Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(Cn4cccn4)c3)C2)[nH]1 ZINC000215896636 241155026 /nfs/dbraw/zinc/15/50/26/241155026.db2.gz CTTZYFUCAWOEKE-GOSISDBHSA-N 1 0 336.443 2.738 50 0 EFAARO Cc1ccc(-c2ccccc2C[NH+]2CCC(NS(C)(=O)=O)CC2)o1 ZINC000215996377 241156393 /nfs/dbraw/zinc/15/63/93/241156393.db2.gz UELGHKZDPSHUAS-UHFFFAOYSA-N 1 0 348.468 2.769 50 0 EFAARO OC1(c2cccnc2)CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000216075119 241164157 /nfs/dbraw/zinc/16/41/57/241164157.db2.gz KFRJMGSZQVBBNS-UHFFFAOYSA-N 1 0 334.423 2.751 50 0 EFAARO CS(=O)(=O)NC1CC[NH+](Cc2ccc(C3CCCC3)s2)CC1 ZINC000216090630 241164939 /nfs/dbraw/zinc/16/49/39/241164939.db2.gz VIGNQJXTHZKMLI-UHFFFAOYSA-N 1 0 342.530 2.919 50 0 EFAARO Cc1cc(C)n2ncc(C[N@@H+]3CCCC[C@@H]3CCn3cccn3)c2n1 ZINC000216138703 241165409 /nfs/dbraw/zinc/16/54/09/241165409.db2.gz HCHBZKDVILXZPJ-GOSISDBHSA-N 1 0 338.459 2.987 50 0 EFAARO O=C(C[C@@H]1CC[NH2+]C1)N(CCCO)Cc1cccc2ccccc21 ZINC000216155821 241171763 /nfs/dbraw/zinc/17/17/63/241171763.db2.gz DUYFDKHYMLPDSX-INIZCTEOSA-N 1 0 326.440 2.550 50 0 EFAARO CCn1cc(C(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000216287626 241180083 /nfs/dbraw/zinc/18/00/83/241180083.db2.gz IQHRAVYAJQRTEE-SFHVURJKSA-N 1 0 340.471 2.853 50 0 EFAARO COCCCC[NH+]1CCN(C(=O)c2[nH]c3c(cccc3F)c2C)CC1 ZINC000216450954 241195611 /nfs/dbraw/zinc/19/56/11/241195611.db2.gz NWPYBVCYRGYDDG-UHFFFAOYSA-N 1 0 347.434 2.800 50 0 EFAARO Cc1nc2ccccn2c1C[NH+]1CCC([C@H](O)c2ccccn2)CC1 ZINC000216490808 241197807 /nfs/dbraw/zinc/19/78/07/241197807.db2.gz NRHBRRJZPVUEED-FQEVSTJZSA-N 1 0 336.439 2.983 50 0 EFAARO CN(Cc1ncc[nH]1)Cc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000215438620 241125368 /nfs/dbraw/zinc/12/53/68/241125368.db2.gz FANQMAHLQFFFCJ-UHFFFAOYSA-N 1 0 328.460 2.906 50 0 EFAARO O=C(Cc1ccsc1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000215414770 241126459 /nfs/dbraw/zinc/12/64/59/241126459.db2.gz KUPIIFKNYZMDDJ-LJQANCHMSA-N 1 0 340.492 2.992 50 0 EFAARO CC[C@H]1C(=O)NCCN1Cc1ccc(OC)c2cccc(OC)c12 ZINC000215494453 241128229 /nfs/dbraw/zinc/12/82/29/241128229.db2.gz AKDKSVLBPWELMJ-HNNXBMFYSA-N 1 0 328.412 2.567 50 0 EFAARO CCn1ccc2cc(C[NH+]3CCN(Cc4nccn4C)CC3)ccc21 ZINC000215620020 241133077 /nfs/dbraw/zinc/13/30/77/241133077.db2.gz IWQLDEPRTDEWRA-UHFFFAOYSA-N 1 0 337.471 2.713 50 0 EFAARO Cc1cc(Cl)cc(Cl)c1OCCOCCN1CC[NH+](C)CC1 ZINC000022033820 212273410 /nfs/dbraw/zinc/27/34/10/212273410.db2.gz JSNSLJNYUZVJML-UHFFFAOYSA-N 1 0 347.286 2.945 50 0 EFAARO Nc1nc(C2CC([NH3+])C2)cc(N2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000218827455 241348243 /nfs/dbraw/zinc/34/82/43/241348243.db2.gz AXSFLHVRWAWMME-UHFFFAOYSA-N 1 0 339.418 2.696 50 0 EFAARO CN1CC[N@H+](CCCCCF)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000230181065 242243295 /nfs/dbraw/zinc/24/32/95/242243295.db2.gz IKYUCSJAUOBWKB-LJQANCHMSA-N 1 0 339.499 2.535 50 0 EFAARO CC(C)NC(=O)c1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000236700306 242324851 /nfs/dbraw/zinc/32/48/51/242324851.db2.gz INLLAIUKSGKNDK-QGZVFWFLSA-N 1 0 325.412 2.853 50 0 EFAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)c(C)c1 ZINC000020996954 212196514 /nfs/dbraw/zinc/19/65/14/212196514.db2.gz PWBWOEXLPBGLNA-QGZVFWFLSA-N 1 0 326.444 2.805 50 0 EFAARO O=C(NCc1[nH]nc2c1CCC2)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000243893339 243029823 /nfs/dbraw/zinc/02/98/23/243029823.db2.gz AQADOUZAOCNQMY-IBGZPJMESA-N 1 0 338.455 2.569 50 0 EFAARO [NH3+][C@H]1C[C@H](c2cc(NCc3cnn(Cc4ccccc4)c3)ncn2)C1 ZINC000244595077 243041355 /nfs/dbraw/zinc/04/13/55/243041355.db2.gz DOFSAKYGAJYURZ-QAQDUYKDSA-N 1 0 334.427 2.538 50 0 EFAARO COc1ccc(OC)c(NC(=O)CC[NH+]2CC(c3ccccn3)C2)c1 ZINC000244574750 243041672 /nfs/dbraw/zinc/04/16/72/243041672.db2.gz CQUOCZXKFNFWLW-UHFFFAOYSA-N 1 0 341.411 2.527 50 0 EFAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC000244626575 243044015 /nfs/dbraw/zinc/04/40/15/243044015.db2.gz FOFBTRPGROVDOB-HNNXBMFYSA-N 1 0 349.438 2.518 50 0 EFAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCCC1)c1ccc[nH]c1=O ZINC000244601984 243044085 /nfs/dbraw/zinc/04/40/85/243044085.db2.gz DVPSZFAHDSOITI-QGZVFWFLSA-N 1 0 343.402 2.883 50 0 EFAARO CCn1nc(C)c([C@@H](C)NC(=O)CSCC[NH+]2CCCC2)c1C ZINC000244646883 243049954 /nfs/dbraw/zinc/04/99/54/243049954.db2.gz GQUNTFYUTGUXMG-CYBMUJFWSA-N 1 0 338.521 2.526 50 0 EFAARO Cc1nccn1CC[NH+]1CCC([C@@H](O)CCc2ccccc2)CC1 ZINC000244674028 243053391 /nfs/dbraw/zinc/05/33/91/243053391.db2.gz IABNDGBVMPKKIY-FQEVSTJZSA-N 1 0 327.472 2.897 50 0 EFAARO Cc1nccn1CC[NH+]1CCC([C@H](O)CCc2ccccc2)CC1 ZINC000244674029 243054259 /nfs/dbraw/zinc/05/42/59/243054259.db2.gz IABNDGBVMPKKIY-HXUWFJFHSA-N 1 0 327.472 2.897 50 0 EFAARO Cc1n[nH]c(C)c1CCNc1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244691789 243059429 /nfs/dbraw/zinc/05/94/29/243059429.db2.gz JJLKNCWYDYHRLF-HDJSIYSDSA-N 1 0 326.448 2.553 50 0 EFAARO COc1ccc2[nH]c(CNC(=O)CSCC[NH+]3CCCC3)cc2c1 ZINC000244778628 243079138 /nfs/dbraw/zinc/07/91/38/243079138.db2.gz PTXFWXWSAVFAKR-UHFFFAOYSA-N 1 0 347.484 2.622 50 0 EFAARO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1cc(F)ccc1F ZINC000244831552 243087452 /nfs/dbraw/zinc/08/74/52/243087452.db2.gz UFWFSBLDFYFKHQ-UGSOOPFHSA-N 1 0 338.398 2.920 50 0 EFAARO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2nnc(C3CC3)s2)on1 ZINC000244828523 243089394 /nfs/dbraw/zinc/08/93/94/243089394.db2.gz TXTDOUOJHUWJRV-GFCCVEGCSA-N 1 0 347.444 2.878 50 0 EFAARO COc1ccc(-c2cccc(-c3ccn(CCC[NH+](C)C)n3)c2)nn1 ZINC000020777322 212170763 /nfs/dbraw/zinc/17/07/63/212170763.db2.gz RZWNLXMUNUKQOG-UHFFFAOYSA-N 1 0 337.427 2.967 50 0 EFAARO CC1CC[NH+](Cc2ccc(C(=O)NCc3[nH]nc4c3CCC4)o2)CC1 ZINC000244887904 243099512 /nfs/dbraw/zinc/09/95/12/243099512.db2.gz YQGPEQIPRDXSMG-UHFFFAOYSA-N 1 0 342.443 2.653 50 0 EFAARO C[NH+]1CCN(CCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000020819619 212173232 /nfs/dbraw/zinc/17/32/32/212173232.db2.gz PFHPVHCKERPZAU-UHFFFAOYSA-N 1 0 337.467 2.721 50 0 EFAARO Nc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)cn1 ZINC000244716135 243068176 /nfs/dbraw/zinc/06/81/76/243068176.db2.gz LJANCWLGQWOOBN-QGZVFWFLSA-N 1 0 342.418 2.760 50 0 EFAARO Cc1cc(C)n(-c2ccccc2C[N@@H+](C)C[C@@H](C)N2CCOCC2)n1 ZINC000244723866 243069482 /nfs/dbraw/zinc/06/94/82/243069482.db2.gz MIYGUMIXYWVWRM-GOSISDBHSA-N 1 0 342.487 2.642 50 0 EFAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020725255 212165839 /nfs/dbraw/zinc/16/58/39/212165839.db2.gz SACOYVNTMBSOAG-IBGZPJMESA-N 1 0 344.430 2.696 50 0 EFAARO CC[NH+]1CCN(CCCNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000020646005 212158328 /nfs/dbraw/zinc/15/83/28/212158328.db2.gz RMUJSYYRVQTPAC-UHFFFAOYSA-N 1 0 331.489 2.732 50 0 EFAARO CC[NH+]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000020608822 212153460 /nfs/dbraw/zinc/15/34/60/212153460.db2.gz DRPJXNWJJDXESP-UHFFFAOYSA-N 1 0 349.784 2.935 50 0 EFAARO OCC[C@@H]1C[N@H+](CCc2ccccc2)CCN1Cc1cccs1 ZINC000020598656 212151231 /nfs/dbraw/zinc/15/12/31/212151231.db2.gz CXDVBYDPZQONAT-GOSISDBHSA-N 1 0 330.497 2.859 50 0 EFAARO CCn1ncc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)c1C ZINC000020600846 212150981 /nfs/dbraw/zinc/15/09/81/212150981.db2.gz RUPPHAWLJWGPBA-FQEVSTJZSA-N 1 0 348.535 2.660 50 0 EFAARO Cn1cc(C[NH+]2CCC(Cn3cc(-c4ccccc4)nn3)CC2)cn1 ZINC000020600223 212150993 /nfs/dbraw/zinc/15/09/93/212150993.db2.gz NZLGYNKIMQZBSF-UHFFFAOYSA-N 1 0 336.443 2.591 50 0 EFAARO c1ccc2c(c1)cccc2OCCCC[NH2+]CCN1CCOCC1 ZINC000020500049 212139990 /nfs/dbraw/zinc/13/99/90/212139990.db2.gz LJDHOANFRUXOCX-UHFFFAOYSA-N 1 0 328.456 2.921 50 0 EFAARO C/C=C/c1ccc(OCCCC[NH2+]CCN2CCOCC2)c(OC)c1 ZINC000020482327 212137103 /nfs/dbraw/zinc/13/71/03/212137103.db2.gz NHYYYPNESHRCNG-ZZXKWVIFSA-N 1 0 348.487 2.809 50 0 EFAARO c1ccc(Oc2cccc(OCC[NH2+]CCN3CCOCC3)c2)cc1 ZINC000020482175 212136702 /nfs/dbraw/zinc/13/67/02/212136702.db2.gz LCEXWECCMVFMCN-UHFFFAOYSA-N 1 0 342.439 2.780 50 0 EFAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000020450768 212130213 /nfs/dbraw/zinc/13/02/13/212130213.db2.gz RTRQQCGVXMRTDR-IBGZPJMESA-N 1 0 335.536 2.833 50 0 EFAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ccc(CO)o2)C1 ZINC000020451742 212131146 /nfs/dbraw/zinc/13/11/46/212131146.db2.gz BYVKLVMFOKJPPU-GOSISDBHSA-N 1 0 328.456 2.911 50 0 EFAARO COc1ccc(-c2noc(CN(C)CC[NH+]3CCCCC3)n2)cc1 ZINC000020363233 212122276 /nfs/dbraw/zinc/12/22/76/212122276.db2.gz NOCCPOXLYPEPFM-UHFFFAOYSA-N 1 0 330.432 2.663 50 0 EFAARO COc1ccc(CN2CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000020291839 212116726 /nfs/dbraw/zinc/11/67/26/212116726.db2.gz YODNBRNXOMARSA-HOTGVXAUSA-N 1 0 348.487 2.777 50 0 EFAARO CCN1CCN(C(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000020110261 212102067 /nfs/dbraw/zinc/10/20/67/212102067.db2.gz MUFMXFJDYNZBJN-UHFFFAOYSA-N 1 0 329.488 2.696 50 0 EFAARO O=C(NC[C@@H]1CCCO1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100384 212100669 /nfs/dbraw/zinc/10/06/69/212100669.db2.gz CDERYUZQIITBIG-KRWDZBQOSA-N 1 0 336.863 2.847 50 0 EFAARO O[C@@]1(C[NH+]2CCCCC2)CCN(c2cccc(C(F)(F)F)n2)C1 ZINC000077300292 216867153 /nfs/dbraw/zinc/86/71/53/216867153.db2.gz GAENRBPROOZPPC-OAHLLOKOSA-N 1 0 329.366 2.528 50 0 EFAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CCCN1CCOCC1 ZINC000020018619 212093645 /nfs/dbraw/zinc/09/36/45/212093645.db2.gz RPOCPUMUNUMIIG-UHFFFAOYSA-N 1 0 333.259 2.814 50 0 EFAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCC3=CCCCC3)C2=O)cc1 ZINC000019929944 212085969 /nfs/dbraw/zinc/08/59/69/212085969.db2.gz CBWZKGGGSSHBPQ-QGZVFWFLSA-N 1 0 328.412 2.807 50 0 EFAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000019929895 212086019 /nfs/dbraw/zinc/08/60/19/212086019.db2.gz GXCHUCZYPHVVSK-LJQANCHMSA-N 1 0 347.418 2.941 50 0 biogenic EFAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000019872112 212077146 /nfs/dbraw/zinc/07/71/46/212077146.db2.gz BGXAAVCLMBIUIZ-YJYMSZOUSA-N 1 0 331.412 2.924 50 0 EFAARO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(F)c1 ZINC000019841608 212073943 /nfs/dbraw/zinc/07/39/43/212073943.db2.gz IWHYSIJAHOCUSC-UHFFFAOYSA-N 1 0 341.430 2.972 50 0 EFAARO CC[NH+](CC)CCNC(=O)C[C@H](C)CC(=O)Nc1ccc(C)cc1 ZINC000019823011 212073058 /nfs/dbraw/zinc/07/30/58/212073058.db2.gz YSZWYCCBFUJPNV-INIZCTEOSA-N 1 0 333.476 2.808 50 0 EFAARO O=C1C[C@@H]([NH2+]C2CCCC2)C(=O)N1c1ccc(Br)cc1 ZINC000019848341 212074993 /nfs/dbraw/zinc/07/49/93/212074993.db2.gz MZYISCUOSLSQRH-CYBMUJFWSA-N 1 0 337.217 2.613 50 0 EFAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]C(C)C)CN1Cc1ccc2ccccc2c1 ZINC000019837038 212074408 /nfs/dbraw/zinc/07/44/08/212074408.db2.gz KULJHUBMDDIIAK-UXHICEINSA-N 1 0 339.483 2.917 50 0 EFAARO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019811607 212071001 /nfs/dbraw/zinc/07/10/01/212071001.db2.gz PSCXELSJQDUZAO-LJQANCHMSA-N 1 0 326.440 2.557 50 0 EFAARO COc1ccc(C[NH2+][C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000019731451 212058672 /nfs/dbraw/zinc/05/86/72/212058672.db2.gz ULRCHGFUVDMHJI-MRXNPFEDSA-N 1 0 344.798 2.770 50 0 EFAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCCCC3CCCC3)C2)CC1 ZINC000019222605 212006218 /nfs/dbraw/zinc/00/62/18/212006218.db2.gz DKHBSYPLWMBDOU-SFHVURJKSA-N 1 0 335.536 2.879 50 0 EFAARO c1ccc(CN2CCC[C@@H]([NH2+]Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000019218003 212006039 /nfs/dbraw/zinc/00/60/39/212006039.db2.gz MAEZVGZEZOWKKM-GOSISDBHSA-N 1 0 339.439 2.607 50 0 EFAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]C1CCCC1)C2 ZINC000014747140 211760232 /nfs/dbraw/zinc/76/02/32/211760232.db2.gz DBYGUTHASKOXLM-OAHLLOKOSA-N 1 0 332.492 2.630 50 0 EFAARO O=C(NCC[NH+]1CCCC1)N1CCCC[C@@H]1CCc1ccccn1 ZINC000426389256 247274290 /nfs/dbraw/zinc/27/42/90/247274290.db2.gz LPFCJLYHFVSOOI-GOSISDBHSA-N 1 0 330.476 2.674 50 0 EFAARO CC[C@@H](NC(=O)c1ccc(OC)cc1OCC[NH3+])c1ncccc1C ZINC000426401989 247275516 /nfs/dbraw/zinc/27/55/16/247275516.db2.gz QMHYTQGVYLFFRI-MRXNPFEDSA-N 1 0 343.427 2.617 50 0 EFAARO CN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2cc(N)cc[nH+]2)cc1 ZINC000426406356 247278338 /nfs/dbraw/zinc/27/83/38/247278338.db2.gz YFHLWSJEBIEUQQ-KRWDZBQOSA-N 1 0 325.412 2.972 50 0 EFAARO Cc1ccc(C(=O)NCc2ccc3[nH]cnc3c2)c(OCCC[NH3+])c1 ZINC000426465414 247284069 /nfs/dbraw/zinc/28/40/69/247284069.db2.gz FQKVYNPPTKBYRJ-UHFFFAOYSA-N 1 0 338.411 2.529 50 0 EFAARO CN(C(=O)Nc1ccnn1C[C@@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC000426475601 247284770 /nfs/dbraw/zinc/28/47/70/247284770.db2.gz XZBCRRHPXAVTJD-OAHLLOKOSA-N 1 0 331.464 2.797 50 0 EFAARO Cn1c(SCc2noc(C3CCCC3)n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000426485510 247285513 /nfs/dbraw/zinc/28/55/13/247285513.db2.gz FTKUBTBSTDAXTL-LBPRGKRZSA-N 1 0 348.476 2.615 50 0 EFAARO Cc1cc(C(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)sc1-c1ccccc1 ZINC000426488107 247287146 /nfs/dbraw/zinc/28/71/46/247287146.db2.gz DFLXCDBWZQERKC-CABCVRRESA-N 1 0 330.453 2.518 50 0 EFAARO OCc1ccccc1-c1ccc2c(c1)OC[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000426512372 247290412 /nfs/dbraw/zinc/29/04/12/247290412.db2.gz XWOZIZDSCSKOCD-UYAOXDASSA-N 1 0 325.408 2.736 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2ncccc2OC)c1 ZINC000426513490 247290866 /nfs/dbraw/zinc/29/08/66/247290866.db2.gz BRLYPNCLZGPMSZ-KRWDZBQOSA-N 1 0 339.439 2.971 50 0 EFAARO Cn1c(CC[NH3+])nnc1SCc1ccc(OC(F)(F)F)cc1 ZINC000426574837 247291984 /nfs/dbraw/zinc/29/19/84/247291984.db2.gz GXYAHWGJLAMKLM-UHFFFAOYSA-N 1 0 332.351 2.507 50 0 EFAARO CCN(Cc1ccncc1)C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000426562840 247292997 /nfs/dbraw/zinc/29/29/97/247292997.db2.gz GKFUGJATTLEVSI-IBGZPJMESA-N 1 0 338.455 2.670 50 0 EFAARO Cc1ccc(Oc2ncccc2CNC(=O)C[NH+](C)C)c(F)c1F ZINC000012435534 211380272 /nfs/dbraw/zinc/38/02/72/211380272.db2.gz VKAOOVOUIAYJIF-UHFFFAOYSA-N 1 0 335.354 2.638 50 0 EFAARO Cc1cccc(CN2CCC[C@@](O)(C[NH+]3CCCCCC3)C2=O)c1 ZINC000012386463 211365253 /nfs/dbraw/zinc/36/52/53/211365253.db2.gz ICOCXVJQDZSWTF-HXUWFJFHSA-N 1 0 330.472 2.725 50 0 EFAARO CC(C)(CO)[NH2+]Cc1ccc(OCc2ccc3c(c2)OCCO3)cc1 ZINC000012381820 211361567 /nfs/dbraw/zinc/36/15/67/211361567.db2.gz QIGURPMJSFFXCH-UHFFFAOYSA-N 1 0 343.423 2.897 50 0 EFAARO COc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000012348988 211354368 /nfs/dbraw/zinc/35/43/68/211354368.db2.gz OCAJBVSDKOWPBB-AWEZNQCLSA-N 1 0 334.441 2.798 50 0 EFAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)CCn2cccn2)c(F)c1 ZINC000012300287 211336247 /nfs/dbraw/zinc/33/62/47/211336247.db2.gz FKNFFRKIXCEALE-ZDUSSCGKSA-N 1 0 343.406 2.989 50 0 EFAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]C1CCCCC1 ZINC000012302940 211340427 /nfs/dbraw/zinc/34/04/27/211340427.db2.gz JNUPNSSIYADHNM-LJQANCHMSA-N 1 0 334.435 2.602 50 0 EFAARO CSCC[NH2+]Cc1c(C(=O)N2CCCCC2)nc2c(C)cccn12 ZINC000012302141 211339164 /nfs/dbraw/zinc/33/91/64/211339164.db2.gz FYASRZLPJUMQNG-UHFFFAOYSA-N 1 0 346.500 2.721 50 0 EFAARO O=C1C[C@@H]([NH2+]Cc2ccncc2)CN1CCc1cccc(Cl)c1 ZINC000012304071 211338903 /nfs/dbraw/zinc/33/89/03/211338903.db2.gz OIBBFECEAKNHFV-QGZVFWFLSA-N 1 0 329.831 2.668 50 0 EFAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1CCCn1ccnc1 ZINC000012151058 211307513 /nfs/dbraw/zinc/30/75/13/211307513.db2.gz AAYPZJSCPUJAES-QGZVFWFLSA-N 1 0 344.434 2.583 50 0 EFAARO CN(Cc1ccon1)C(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000012055962 211283924 /nfs/dbraw/zinc/28/39/24/211283924.db2.gz NZXGBXBICYJMAU-UHFFFAOYSA-N 1 0 339.439 2.657 50 0 EFAARO CC(C)c1cc(C(=O)N[C@@H](CC[NH+](C)C)c2ccccc2)n(C)n1 ZINC000091390980 218000123 /nfs/dbraw/zinc/00/01/23/218000123.db2.gz DRMXXDAHIVKTCL-INIZCTEOSA-N 1 0 328.460 2.966 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccnc1-n1cnc2ccccc21 ZINC000011937227 211273096 /nfs/dbraw/zinc/27/30/96/211273096.db2.gz FOSNECXGDLBUEF-GOSISDBHSA-N 1 0 349.438 2.521 50 0 EFAARO CCn1nc(CC(C)C)cc1C(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000091426951 218003557 /nfs/dbraw/zinc/00/35/57/218003557.db2.gz VQFSWVQMLNIGAJ-HNNXBMFYSA-N 1 0 332.492 2.800 50 0 EFAARO O=C(c1n[nH]c2ccccc21)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000011936442 211272526 /nfs/dbraw/zinc/27/25/26/211272526.db2.gz SFSSTOIPJYAXES-FQEVSTJZSA-N 1 0 338.455 2.901 50 0 EFAARO Cc1ccc2[nH]c(C[NH2+]Cc3ccc(-n4cncn4)cc3)cc(=O)c2c1 ZINC000091440386 218005740 /nfs/dbraw/zinc/00/57/40/218005740.db2.gz JQHOCAPEXZWWAO-UHFFFAOYSA-N 1 0 345.406 2.707 50 0 EFAARO COCC[C@]1(CO)CCC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000091444634 218007500 /nfs/dbraw/zinc/00/75/00/218007500.db2.gz ANSKJOSIUJJOFX-OAHLLOKOSA-N 1 0 332.366 2.711 50 0 EFAARO O=C(CCCN1CCCC1=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000011932816 211269408 /nfs/dbraw/zinc/26/94/08/211269408.db2.gz NHGGKWLIOHXXAK-KRWDZBQOSA-N 1 0 349.519 2.692 50 0 EFAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)COC)CC2)C1 ZINC000091452359 218008840 /nfs/dbraw/zinc/00/88/40/218008840.db2.gz SXWDYGUDDPXUQD-GOSISDBHSA-N 1 0 330.472 2.751 50 0 EFAARO COc1ccc(F)cc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091468929 218011028 /nfs/dbraw/zinc/01/10/28/218011028.db2.gz NKVYYBFBZFFPQB-GDBMZVCRSA-N 1 0 332.419 2.781 50 0 EFAARO O=C(/C=C/c1ccncc1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011821669 211251913 /nfs/dbraw/zinc/25/19/13/211251913.db2.gz JTDSVCFOQUOBTH-IBDYFIJFSA-N 1 0 335.451 2.918 50 0 EFAARO O=C(Cc1ccccn1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091624825 218033417 /nfs/dbraw/zinc/03/34/17/218033417.db2.gz VHLPHUOJHFPDCG-AZUAARDMSA-N 1 0 335.451 2.747 50 0 EFAARO Cc1noc(C)c1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011879425 211263530 /nfs/dbraw/zinc/26/35/30/211263530.db2.gz YGCDXQDGDPXQOM-QGZVFWFLSA-N 1 0 333.476 2.995 50 0 EFAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000091526120 218016563 /nfs/dbraw/zinc/01/65/63/218016563.db2.gz SRVVPVSKZWTZBT-UHFFFAOYSA-N 1 0 342.491 2.973 50 0 EFAARO O=c1cc(C[NH2+]CCCNc2cccnc2)[nH]c2c(F)cccc12 ZINC000091551633 218021594 /nfs/dbraw/zinc/02/15/94/218021594.db2.gz BSDRDTSKGMGNNC-UHFFFAOYSA-N 1 0 326.375 2.654 50 0 EFAARO CN(C)c1ncccc1CNC(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000011838381 211254669 /nfs/dbraw/zinc/25/46/69/211254669.db2.gz UXXOTTBFTSNOLG-UHFFFAOYSA-N 1 0 344.503 2.953 50 0 EFAARO O=C1O[C@@H]2C[N@H+](CCCc3ccccc3)C[C@@H]2N1Cc1ccccn1 ZINC000011821561 211252829 /nfs/dbraw/zinc/25/28/29/211252829.db2.gz KMLZAKOZLOMWPD-RBUKOAKNSA-N 1 0 337.423 2.719 50 0 EFAARO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000091691627 218047778 /nfs/dbraw/zinc/04/77/78/218047778.db2.gz KSWAWCLGGIVDBA-HOTGVXAUSA-N 1 0 348.443 2.575 50 0 EFAARO CC(C)[C@]1(O)C[N@@H+](C2CCN(C(=O)c3cccs3)CC2)C[C@H]1C ZINC000091706607 218051202 /nfs/dbraw/zinc/05/12/02/218051202.db2.gz NUHQLPRUDKUWKB-RDTXWAMCSA-N 1 0 336.501 2.692 50 0 EFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1cccc(OC)c1OC)C2 ZINC000091707202 218051458 /nfs/dbraw/zinc/05/14/58/218051458.db2.gz RVQUTUSQQINYEF-NVXWUHKLSA-N 1 0 346.471 2.579 50 0 EFAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1 ZINC000091643719 218036719 /nfs/dbraw/zinc/03/67/19/218036719.db2.gz GNJDPNMXYKDHRG-QGZVFWFLSA-N 1 0 336.501 2.538 50 0 EFAARO C[NH+](C)[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)C[C@H]1CCCO ZINC000091635866 218036945 /nfs/dbraw/zinc/03/69/45/218036945.db2.gz UEGFTWDKUMZZLJ-WBMJQRKESA-N 1 0 342.842 2.644 50 0 EFAARO O=c1cc(C[NH2+]C[C@H](O)c2ccc(O)cc2)[nH]c2c(Cl)cccc12 ZINC000091644812 218037990 /nfs/dbraw/zinc/03/79/90/218037990.db2.gz HHSRCJBOUYJRIL-KRWDZBQOSA-N 1 0 344.798 2.710 50 0 EFAARO OCc1ccc(C[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000091645498 218039087 /nfs/dbraw/zinc/03/90/87/218039087.db2.gz PONJZEBJUQTEKM-SFHVURJKSA-N 1 0 325.408 2.972 50 0 EFAARO Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C1CCOCC1)C2=O ZINC000091651363 218040799 /nfs/dbraw/zinc/04/07/99/218040799.db2.gz PIHOWVBPPBBHAQ-OAQYLSRUSA-N 1 0 342.483 2.989 50 0 EFAARO CSc1ccc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091656769 218041157 /nfs/dbraw/zinc/04/11/57/218041157.db2.gz PNOQXFVNSPJTTG-LJQANCHMSA-N 1 0 347.528 2.537 50 0 EFAARO CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011762261 211244640 /nfs/dbraw/zinc/24/46/40/211244640.db2.gz MFXGAUGCXVGWQV-LJQANCHMSA-N 1 0 343.515 2.841 50 0 EFAARO CCCn1cnnc1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091664367 218043195 /nfs/dbraw/zinc/04/31/95/218043195.db2.gz VTXKVQLUHZBFMW-UHFFFAOYSA-N 1 0 341.459 2.604 50 0 EFAARO Cn1cc(CCC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)cn1 ZINC000011753440 211243606 /nfs/dbraw/zinc/24/36/06/211243606.db2.gz FSOJOHKZSIKGCU-GOSISDBHSA-N 1 0 332.492 2.514 50 0 EFAARO COc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c(O)c1 ZINC000091665183 218044805 /nfs/dbraw/zinc/04/48/05/218044805.db2.gz JYVWWGMAWJRNGH-HZPDHXFCSA-N 1 0 344.455 2.737 50 0 EFAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCCN(Cc2cccc(F)c2)CC1 ZINC000091756837 218060049 /nfs/dbraw/zinc/06/00/49/218060049.db2.gz TUBPBBHKSUAOEE-IBGZPJMESA-N 1 0 347.478 2.734 50 0 EFAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)CCn2cccn2)cc1F ZINC000011663262 211230324 /nfs/dbraw/zinc/23/03/24/211230324.db2.gz KUNCSCATCYUPMC-CYBMUJFWSA-N 1 0 343.406 2.989 50 0 EFAARO CCCn1ccnc1-c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000091779642 218065374 /nfs/dbraw/zinc/06/53/74/218065374.db2.gz JUHCBYFCJSDNNM-QGZVFWFLSA-N 1 0 336.443 2.999 50 0 EFAARO Cc1cccc(N2C[C@@H](C)N(Cc3ccc(CC[NH3+])cc3)CC2=O)c1 ZINC000091793985 218067563 /nfs/dbraw/zinc/06/75/63/218067563.db2.gz HOCOHYBBPGHPJX-QGZVFWFLSA-N 1 0 337.467 2.734 50 0 EFAARO O=C(c1ccc2c(c1)CCCN2)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091915124 218088345 /nfs/dbraw/zinc/08/83/45/218088345.db2.gz SYQYQGBJKAUUGX-VQIMIIECSA-N 1 0 339.483 2.991 50 0 EFAARO COC[C@]1(O)CC[N@H+](CC2=Cc3cccc(OC)c3OC2)CC1(C)C ZINC000091848977 218077612 /nfs/dbraw/zinc/07/76/12/218077612.db2.gz MUGXIIDZXWISOA-HXUWFJFHSA-N 1 0 347.455 2.580 50 0 EFAARO CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(C(=O)C3([NH3+])CC3)C2)cc1 ZINC000091872159 218081411 /nfs/dbraw/zinc/08/14/11/218081411.db2.gz BKPKBLUSIGFRHQ-HNNXBMFYSA-N 1 0 328.456 2.897 50 0 EFAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](CC=C(C)C)CC1 ZINC000091876960 218083307 /nfs/dbraw/zinc/08/33/07/218083307.db2.gz OULOADUTSWMXCG-UHFFFAOYSA-N 1 0 328.464 2.688 50 0 EFAARO CCCn1ncc(C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1C ZINC000091988480 218099328 /nfs/dbraw/zinc/09/93/28/218099328.db2.gz BJKNHQATHBTYKZ-BEFAXECRSA-N 1 0 335.492 2.601 50 0 EFAARO O=c1cc(C[NH2+]CC2(Cn3ccnc3)CC2)[nH]c2c(F)cccc12 ZINC000092004564 218103145 /nfs/dbraw/zinc/10/31/45/218103145.db2.gz VXIAUPSHEBNQEY-UHFFFAOYSA-N 1 0 326.375 2.846 50 0 EFAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)o1 ZINC000091943024 218092489 /nfs/dbraw/zinc/09/24/89/218092489.db2.gz SNXYKZRLUQTGPJ-DZGCQCFKSA-N 1 0 331.441 2.668 50 0 EFAARO Cc1cc(S(=O)(=O)N2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)c(C)s1 ZINC000092078154 218115779 /nfs/dbraw/zinc/11/57/79/218115779.db2.gz SMMBJLYTJCOLFP-UONOGXRCSA-N 1 0 330.519 2.572 50 0 EFAARO CC1=C(c2ccccc2)[C@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000092077619 218116102 /nfs/dbraw/zinc/11/61/02/218116102.db2.gz PPCIQLHGIRARCA-FQEVSTJZSA-N 1 0 340.467 2.661 50 0 EFAARO COc1c[nH]c(CN2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)cc1=O ZINC000092078486 218117403 /nfs/dbraw/zinc/11/74/03/218117403.db2.gz BMYYVEVVRMPVOF-DOTOQJQBSA-N 1 0 331.460 2.658 50 0 EFAARO CCC[C@H]1C[N@@H+](C2CCCC2)C[C@@H]1NC(=O)C1(Cn2ccnc2)CC1 ZINC000092097619 218118013 /nfs/dbraw/zinc/11/80/13/218118013.db2.gz BENSGWQQNKCHID-WMZOPIPTSA-N 1 0 344.503 2.823 50 0 EFAARO COCCOC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000092107328 218121184 /nfs/dbraw/zinc/12/11/84/218121184.db2.gz XLNOGTMFGKDSEW-GOSISDBHSA-N 1 0 346.471 2.971 50 0 EFAARO COc1ccc(O[C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010541020 211180799 /nfs/dbraw/zinc/18/07/99/211180799.db2.gz ZAWZDPTUOBJVHW-MRXNPFEDSA-N 1 0 334.460 2.701 50 0 EFAARO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000010544125 211180637 /nfs/dbraw/zinc/18/06/37/211180637.db2.gz FAGMJSGZQOPNBM-GJZGRUSLSA-N 1 0 342.480 2.613 50 0 EFAARO CC1CC[NH+](CCCNS(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000010541035 211180529 /nfs/dbraw/zinc/18/05/29/211180529.db2.gz OLCAZESLAWDYLF-UHFFFAOYSA-N 1 0 344.908 2.881 50 0 EFAARO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)cc1 ZINC000010544212 211179968 /nfs/dbraw/zinc/17/99/68/211179968.db2.gz ACUDMHLWTRHWLL-OAHLLOKOSA-N 1 0 340.489 2.628 50 0 EFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000010544030 211179678 /nfs/dbraw/zinc/17/96/78/211179678.db2.gz IGWBHYUUBZAHBD-ZIAGYGMSSA-N 1 0 344.908 2.986 50 0 EFAARO CCOc1c(C[NH2+]C(C)(C)CO)cc(Br)cc1OC ZINC000010473845 211176292 /nfs/dbraw/zinc/17/62/92/211176292.db2.gz SUYHUUZNVUGZEU-UHFFFAOYSA-N 1 0 332.238 2.717 50 0 EFAARO Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC[NH+](C)C)cc1 ZINC000010312663 211162647 /nfs/dbraw/zinc/16/26/47/211162647.db2.gz FRKXFYHYYBAAPO-UHFFFAOYSA-N 1 0 325.412 2.539 50 0 EFAARO Cc1ccccc1OCC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000010018731 211140734 /nfs/dbraw/zinc/14/07/34/211140734.db2.gz QNBJYYYBTJKJMS-QGZVFWFLSA-N 1 0 330.403 2.932 50 0 EFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000010003194 211138778 /nfs/dbraw/zinc/13/87/78/211138778.db2.gz CDGBWVXPKPAPNM-AWEZNQCLSA-N 1 0 331.391 2.991 50 0 EFAARO COc1cc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)ccc1F ZINC000093455062 218227979 /nfs/dbraw/zinc/22/79/79/218227979.db2.gz SVNFXQPZWCSYLH-KRWDZBQOSA-N 1 0 333.407 2.513 50 0 EFAARO Cc1cc(=O)n2c(n1)NC(NCc1ccco1)=N[C@@H]2[C@H]1CC=CCC1 ZINC000009426315 211082912 /nfs/dbraw/zinc/08/29/12/211082912.db2.gz YWJPGDKBNKRENO-BBRMVZONSA-N 1 0 339.399 2.571 50 0 EFAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009305653 211063428 /nfs/dbraw/zinc/06/34/28/211063428.db2.gz SKBUUMAGEHIABB-KRWDZBQOSA-N 1 0 328.412 2.920 50 0 EFAARO COc1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009304957 211063159 /nfs/dbraw/zinc/06/31/59/211063159.db2.gz MHWLOLVVPOCUJB-KRWDZBQOSA-N 1 0 344.411 2.620 50 0 EFAARO COc1cccc(C[NH2+]CCSc2nnnn2-c2ccccc2)c1 ZINC000009249992 211058355 /nfs/dbraw/zinc/05/83/55/211058355.db2.gz XUOONNHPFFRJRK-UHFFFAOYSA-N 1 0 341.440 2.553 50 0 EFAARO CCc1cnc(NC[C@H]2C[C@@H](CO)[N@H+](C)[C@H]2c2ccccc2F)nc1 ZINC000095354033 218288108 /nfs/dbraw/zinc/28/81/08/218288108.db2.gz CVUDOMXWIDESCY-RVKKMQEKSA-N 1 0 344.434 2.644 50 0 EFAARO O=C(NCC1(Cn2cccn2)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095354364 218288169 /nfs/dbraw/zinc/28/81/69/218288169.db2.gz NLLLCTMKULKJDQ-UHFFFAOYSA-N 1 0 344.503 2.824 50 0 EFAARO CCc1nccn1CCNC(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095359882 218292767 /nfs/dbraw/zinc/29/27/67/218292767.db2.gz QPQPAGNMGAAQKC-UHFFFAOYSA-N 1 0 332.492 2.606 50 0 EFAARO CCOC(=O)c1[nH]c(C)c(C(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000095359270 218293647 /nfs/dbraw/zinc/29/36/47/218293647.db2.gz OGNHRODDODZBQT-LBPRGKRZSA-N 1 0 347.459 2.507 50 0 EFAARO CCn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)cn1 ZINC000095355778 218289007 /nfs/dbraw/zinc/28/90/07/218289007.db2.gz NFDOGSSKVRYNIJ-RBUKOAKNSA-N 1 0 338.455 2.526 50 0 EFAARO Cc1n[nH]c(C)c1CCC[NH2+]C1CCN(c2nc(C)cc(C)n2)CC1 ZINC000095356648 218290257 /nfs/dbraw/zinc/29/02/57/218290257.db2.gz RALSKMJMRFQIQL-UHFFFAOYSA-N 1 0 342.491 2.625 50 0 EFAARO O=C(c1ccncc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095356759 218290287 /nfs/dbraw/zinc/29/02/87/218290287.db2.gz SUMHSUZSNDTIPV-QFBILLFUSA-N 1 0 339.414 2.957 50 0 EFAARO Cc1ccc(C)c(Nc2nc(NCC[NH+](C)C)nc3nccnc32)c1 ZINC000009074976 211039514 /nfs/dbraw/zinc/03/95/14/211039514.db2.gz WCYKVTBSERSYSW-UHFFFAOYSA-N 1 0 337.431 2.754 50 0 EFAARO Cc1ccc(Nc2nc(NCC[NH+](C)C)nc3nccnc32)c(C)c1 ZINC000009074783 211039387 /nfs/dbraw/zinc/03/93/87/211039387.db2.gz YMYJSPCLSNTCSB-UHFFFAOYSA-N 1 0 337.431 2.754 50 0 EFAARO Cc1ccc2[nH]c(CNC(=O)C3CC[NH+](C(C)C)CC3)nc2c1C ZINC000095368071 218299964 /nfs/dbraw/zinc/29/99/64/218299964.db2.gz LQUSIINSXHOWGI-UHFFFAOYSA-N 1 0 328.460 2.916 50 0 EFAARO CN(CCCc1nccn1C)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095361348 218294483 /nfs/dbraw/zinc/29/44/83/218294483.db2.gz WBEIMDRLZQNGOS-GOSISDBHSA-N 1 0 340.471 2.592 50 0 EFAARO CCc1[nH+]c(N)nc(N[C@H]2CCCN(C(=O)c3ccccc3)C2)c1C ZINC000095364507 218298282 /nfs/dbraw/zinc/29/82/82/218298282.db2.gz BYOLPJHVYRFTAR-HNNXBMFYSA-N 1 0 339.443 2.646 50 0 EFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N(C/C=C/c1ccccc1)CCCO ZINC000095374915 218307528 /nfs/dbraw/zinc/30/75/28/218307528.db2.gz AHZSZNIZWSEOEE-YRVHBARZSA-N 1 0 330.472 2.785 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000095376374 218308564 /nfs/dbraw/zinc/30/85/64/218308564.db2.gz IZMLNABSLIBEPL-INIZCTEOSA-N 1 0 347.507 2.666 50 0 EFAARO C[N@@H+]1CCCCC[C@H]1C(=O)N(CCCO)Cc1ccc(Cl)cc1 ZINC000095369188 218301373 /nfs/dbraw/zinc/30/13/73/218301373.db2.gz MJDCHQXLSBSFIA-KRWDZBQOSA-N 1 0 338.879 2.925 50 0 EFAARO COc1ccccc1OC(C)(C)C(=O)N1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000095375646 218308644 /nfs/dbraw/zinc/30/86/44/218308644.db2.gz DRUNBQNPVTZDNT-JKSUJKDBSA-N 1 0 348.487 2.897 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N[C@H](c2ccccn2)C(F)(F)F)CC1 ZINC000095372487 218305527 /nfs/dbraw/zinc/30/55/27/218305527.db2.gz YFHGHQLSQAHPRF-CQSZACIVSA-N 1 0 329.366 2.922 50 0 EFAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N[C@H](CO)c1ccccc1 ZINC000095373848 218305985 /nfs/dbraw/zinc/30/59/85/218305985.db2.gz KEIIRFVGAKTYBX-IPMKNSEASA-N 1 0 330.472 2.881 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCCCn2ncc3ccccc32)C1 ZINC000095374104 218306277 /nfs/dbraw/zinc/30/62/77/218306277.db2.gz AZBCVBCRPYUXIN-INIZCTEOSA-N 1 0 328.460 2.665 50 0 EFAARO CCc1[nH+]c(N)nc(NCc2ccc(C(=O)N3CCCC3)cc2)c1C ZINC000095374070 218306718 /nfs/dbraw/zinc/30/67/18/218306718.db2.gz FXYGXNJZLNWKRG-UHFFFAOYSA-N 1 0 339.443 2.778 50 0 EFAARO O=C(C1CCCC1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095376151 218309380 /nfs/dbraw/zinc/30/93/80/218309380.db2.gz HBYDSSHDOLENIT-XUVXKRRUSA-N 1 0 340.467 2.971 50 0 EFAARO O=C(c1cnn2ccccc12)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095377952 218310699 /nfs/dbraw/zinc/31/06/99/218310699.db2.gz BTPQFCOLIZZZIY-IAGOWNOFSA-N 1 0 338.455 2.671 50 0 EFAARO COc1ccc2c(c1)CC[N@@H+](CCC(=O)NC1CCCCC1)CC2 ZINC000095378117 218311173 /nfs/dbraw/zinc/31/11/73/218311173.db2.gz HZHDCNZQFFQQFR-UHFFFAOYSA-N 1 0 330.472 2.935 50 0 EFAARO O=C(NCc1cn2cccnc2n1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095379270 218311247 /nfs/dbraw/zinc/31/12/47/218311247.db2.gz OUEQHGALTKFOGZ-UHFFFAOYSA-N 1 0 349.438 2.645 50 0 EFAARO C[C@@H]1C[N@H+](C2CCN(c3ncc(Cl)cc3F)CC2)C[C@H](C)O1 ZINC000095378803 218311347 /nfs/dbraw/zinc/31/13/47/218311347.db2.gz GVRYRAMFGZHTIZ-TXEJJXNPSA-N 1 0 327.831 2.952 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC(OCc2ccccc2F)C1 ZINC000095381066 218314006 /nfs/dbraw/zinc/31/40/06/218314006.db2.gz KHCMHUFQPOHVNG-MRXNPFEDSA-N 1 0 334.435 2.818 50 0 EFAARO Cc1cnn(CC2CCN(C(=O)CC[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000095382197 218314306 /nfs/dbraw/zinc/31/43/06/218314306.db2.gz IMTMSTQSIDDOME-QGZVFWFLSA-N 1 0 332.492 2.552 50 0 EFAARO Cc1ccc2cccc(OCCNC(=O)[C@H]3CCCCC[N@H+]3C)c2n1 ZINC000095392033 218323607 /nfs/dbraw/zinc/32/36/07/218323607.db2.gz FOASFFGIJKVMPI-QGZVFWFLSA-N 1 0 341.455 2.913 50 0 EFAARO Cc1ccccc1COC1CN(C(=O)CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000095388806 218320236 /nfs/dbraw/zinc/32/02/36/218320236.db2.gz IQSNNJAMRDFTJZ-QGZVFWFLSA-N 1 0 330.472 2.844 50 0 EFAARO Cc1ccccc1C[N@@H+]1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1 ZINC000095390436 218321407 /nfs/dbraw/zinc/32/14/07/218321407.db2.gz RUZDJZLQKCVMJX-TZIWHRDSSA-N 1 0 342.483 2.580 50 0 EFAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCCCc2nc3cc(F)ccc3[nH]2)C1 ZINC000095382971 218316043 /nfs/dbraw/zinc/31/60/43/218316043.db2.gz LUZMXFVNBHGPJA-LJQANCHMSA-N 1 0 346.450 2.873 50 0 EFAARO Cc1cnn(CC2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000095384737 218316951 /nfs/dbraw/zinc/31/69/51/218316951.db2.gz USZIDUSAHQDERG-GOSISDBHSA-N 1 0 332.492 2.695 50 0 EFAARO Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095384809 218317094 /nfs/dbraw/zinc/31/70/94/218317094.db2.gz HSVIOXGBMNNBSG-SFHVURJKSA-N 1 0 340.471 2.808 50 0 EFAARO CCc1noc(CN(CC)C(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)n1 ZINC000095386440 218317710 /nfs/dbraw/zinc/31/77/10/218317710.db2.gz IVERHQVTKGNUQP-INIZCTEOSA-N 1 0 342.443 2.761 50 0 EFAARO CCCOC[C@H]1CCN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000095386572 218317771 /nfs/dbraw/zinc/31/77/71/218317771.db2.gz OFULIEHFGLPXFM-INIZCTEOSA-N 1 0 334.460 2.767 50 0 EFAARO CCC(=O)Nc1ccc(F)c(NC(=O)NCCC[NH+]2CCCC2)c1 ZINC000096138792 218621771 /nfs/dbraw/zinc/62/17/71/218621771.db2.gz MOGJTEKFYNSVCU-UHFFFAOYSA-N 1 0 336.411 2.782 50 0 EFAARO Cc1cc(C)c(C)c(C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)c1C ZINC000055281743 291803703 /nfs/dbraw/zinc/80/37/03/291803703.db2.gz XFYTVAGVPFZEBM-UHFFFAOYSA-N 1 0 344.499 2.983 50 0 EFAARO CC[NH+](CC)CCNc1nc2sc3c(c2c2ncnn21)CCCC3 ZINC000005556516 210487771 /nfs/dbraw/zinc/48/77/71/210487771.db2.gz CCTXIYPWYVDAEA-UHFFFAOYSA-N 1 0 344.488 2.972 50 0 EFAARO CC[n+]1cc(N2CCCC2)nc(-c2ccc(Br)cc2)n1 ZINC000005119144 210393168 /nfs/dbraw/zinc/39/31/68/210393168.db2.gz OQWHMTNNZDNUDD-UHFFFAOYSA-N 1 0 334.241 2.814 50 0 EFAARO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@@H](O)COc1ccccc1F ZINC000005060508 210378877 /nfs/dbraw/zinc/37/88/77/210378877.db2.gz BRNQLOOQMLTKMX-CQSZACIVSA-N 1 0 325.424 2.579 50 0 EFAARO Cn1nnnc1SCCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000004993846 210353269 /nfs/dbraw/zinc/35/32/69/210353269.db2.gz NHGXAUDKWSDGGK-UHFFFAOYSA-N 1 0 329.429 2.742 50 0 EFAARO O=C(NC[C@@H]1C[NH2+]CCOC1)Nc1cccc(-c2ccc(F)cc2)c1 ZINC000097156065 218976285 /nfs/dbraw/zinc/97/62/85/218976285.db2.gz BESNFFVKMIHKKX-AWEZNQCLSA-N 1 0 343.402 2.850 50 0 EFAARO Cn1cc(C[NH2+]C[C@@H]2COc3ccccc3C2)c(-c2cccnc2)n1 ZINC000097159780 218977314 /nfs/dbraw/zinc/97/73/14/218977314.db2.gz UJTZPTRUIUFXHN-OAHLLOKOSA-N 1 0 334.423 2.823 50 0 EFAARO COc1ccc(NC(=S)NC2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000004999152 210355738 /nfs/dbraw/zinc/35/57/38/210355738.db2.gz ZCLDVABMGYLPIQ-UHFFFAOYSA-N 1 0 337.489 2.863 50 0 EFAARO Cc1ccsc1[C@@H](CNC(=O)CCc1[nH]nc(C)c1C)[NH+](C)C ZINC000097259274 219006430 /nfs/dbraw/zinc/00/64/30/219006430.db2.gz JAXUXLNAQFQQDE-OAHLLOKOSA-N 1 0 334.489 2.748 50 0 EFAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000004863093 210305443 /nfs/dbraw/zinc/30/54/43/210305443.db2.gz ROCDANMCQMBZAV-ZDUSSCGKSA-N 1 0 343.427 2.933 50 0 EFAARO CCOc1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1C(F)(F)F ZINC000097425529 219023340 /nfs/dbraw/zinc/02/33/40/219023340.db2.gz RTEKQGSRUGKJHL-PHIMTYICSA-N 1 0 343.349 2.787 50 0 EFAARO C[C@@H](c1ccc(C(=O)NCCC(=O)N2CCCC2)o1)[NH+]1CCCCC1 ZINC000097551224 219034570 /nfs/dbraw/zinc/03/45/70/219034570.db2.gz JQCPUTGQRJNNJF-HNNXBMFYSA-N 1 0 347.459 2.569 50 0 EFAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CC[NH+]1CCCC1 ZINC000004814893 210284499 /nfs/dbraw/zinc/28/44/99/210284499.db2.gz WIZXUIQTXZBUOD-UHFFFAOYSA-N 1 0 329.400 2.687 50 0 EFAARO Cc1ccsc1[C@H](CNC(=O)c1cnc(NC(C)C)nc1)[NH+](C)C ZINC000097468667 219027125 /nfs/dbraw/zinc/02/71/25/219027125.db2.gz MIBKCEALRVSRRL-AWEZNQCLSA-N 1 0 347.488 2.700 50 0 EFAARO O=C(Nc1ccc2ccccc2c1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000097499440 219030516 /nfs/dbraw/zinc/03/05/16/219030516.db2.gz WUNCZZYONVDSPD-ROUUACIJSA-N 1 0 325.412 2.825 50 0 EFAARO Cc1ccc([C@H](NC(=O)C2(O)CC[NH+](C)CC2)c2cccs2)cc1 ZINC000097521946 219032266 /nfs/dbraw/zinc/03/22/66/219032266.db2.gz KZWPYWMDOIJJPX-KRWDZBQOSA-N 1 0 344.480 2.719 50 0 EFAARO Cc1ccc([C@H](C)CC[NH+]2CCC(c3nnc(CO)n3C)CC2)o1 ZINC000097515090 219032324 /nfs/dbraw/zinc/03/23/24/219032324.db2.gz GXJFBJGVCOWQNG-CYBMUJFWSA-N 1 0 332.448 2.582 50 0 EFAARO CC(C)Cc1noc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)o2)n1 ZINC000097551428 219034127 /nfs/dbraw/zinc/03/41/27/219034127.db2.gz ZBBFKJBNRUPTHL-CYBMUJFWSA-N 1 0 346.431 2.948 50 0 EFAARO Cn1c(CO)nnc1[C@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000097604120 219040098 /nfs/dbraw/zinc/04/00/98/219040098.db2.gz KCRTUARQXMTBCI-AWEZNQCLSA-N 1 0 342.468 2.902 50 0 EFAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NCc2ccc3c(c2)CCCC3)C1 ZINC000097604138 219040344 /nfs/dbraw/zinc/04/03/44/219040344.db2.gz UPEPENDSSUSXIM-LJQANCHMSA-N 1 0 330.472 2.681 50 0 EFAARO C[NH+](C)CCn1cnc2cc(NC(=O)CCCn3cccc3)ccc21 ZINC000524735794 257842276 /nfs/dbraw/zinc/84/22/76/257842276.db2.gz YUBFWEQBMYSBPQ-UHFFFAOYSA-N 1 0 339.443 2.818 50 0 EFAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)N(Cc1ccccn1)C1CC1 ZINC000426578883 257962462 /nfs/dbraw/zinc/96/24/62/257962462.db2.gz WMTBJBQPYXHGJA-UHFFFAOYSA-N 1 0 345.830 2.877 50 0 EFAARO O=C(c1ccc(-c2ccc3c(c2)CCO3)cc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000426529379 257965173 /nfs/dbraw/zinc/96/51/73/257965173.db2.gz OSYCGQUNUNGJAQ-RBUKOAKNSA-N 1 0 334.419 2.722 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)Nc1ccnn1CC1CC1)c1cccs1 ZINC000299773555 258085478 /nfs/dbraw/zinc/08/54/78/258085478.db2.gz DESUOGGVGUNBHN-CYBMUJFWSA-N 1 0 333.461 2.779 50 0 EFAARO Cc1cnc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)cn1 ZINC000299776877 258087064 /nfs/dbraw/zinc/08/70/64/258087064.db2.gz HSZHXVFJOPISID-OTWHNJEPSA-N 1 0 336.439 2.627 50 0 EFAARO Cc1cc(N2CCCN([C@@H](C)C(=O)Nc3ccccc3)CC2)cc[nH+]1 ZINC000299779148 258088609 /nfs/dbraw/zinc/08/86/09/258088609.db2.gz QRKTZVNSDOAFOI-KRWDZBQOSA-N 1 0 338.455 2.929 50 0 EFAARO Cc1ccc(-c2noc(C[N@@H+](C)CCCc3nccn3C)n2)cc1 ZINC000299783437 258091294 /nfs/dbraw/zinc/09/12/94/258091294.db2.gz ZIMHIEYPEOGAPP-UHFFFAOYSA-N 1 0 325.416 2.843 50 0 EFAARO Cc1nc(C(C)C)sc1CNC(=O)CC[C@@H](C)[NH+]1CCOCC1 ZINC000299788302 258094885 /nfs/dbraw/zinc/09/48/85/258094885.db2.gz RSAPCGQBEKCOIP-CYBMUJFWSA-N 1 0 339.505 2.692 50 0 EFAARO Fc1ccc(N2CCN(Cc3ccc4c(c3)C[NH2+]CCO4)CC2)cc1 ZINC000299789533 258095650 /nfs/dbraw/zinc/09/56/50/258095650.db2.gz WWTNYVVIAHKEON-UHFFFAOYSA-N 1 0 341.430 2.630 50 0 EFAARO C[C@@H]1Cc2cc(C(=O)N3CCC([NH+]4CCSCC4)CC3)ccc2O1 ZINC000299790865 258096613 /nfs/dbraw/zinc/09/66/13/258096613.db2.gz CQSFUOSFCRTNIE-CQSZACIVSA-N 1 0 346.496 2.663 50 0 EFAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1c[nH]c(=O)cn1 ZINC000299792950 258098123 /nfs/dbraw/zinc/09/81/23/258098123.db2.gz GKZSPOQPYKQLBU-QGZVFWFLSA-N 1 0 340.427 2.529 50 0 EFAARO Cc1ncc(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)c(C)n1 ZINC000299793261 258098828 /nfs/dbraw/zinc/09/88/28/258098828.db2.gz HUINEIGEOSSQPQ-UHFFFAOYSA-N 1 0 342.418 2.627 50 0 EFAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]C(C)C)CN1Cc1ccc2ccccc2c1 ZINC000299795402 258099658 /nfs/dbraw/zinc/09/96/58/258099658.db2.gz MTQNTGHGKPAZCQ-MOPGFXCFSA-N 1 0 325.456 2.527 50 0 EFAARO CCn1cc(-c2cccc(C(=O)N(C)C3CC[NH+](C)CC3)c2)cn1 ZINC000299797402 258101933 /nfs/dbraw/zinc/10/19/33/258101933.db2.gz NXDXHMIOTOFREL-UHFFFAOYSA-N 1 0 326.444 2.736 50 0 EFAARO Cc1ccc(C[NH+]2CCC(CNC(=O)CCc3cccnc3)CC2)o1 ZINC000299799141 258103176 /nfs/dbraw/zinc/10/31/76/258103176.db2.gz QSTRLNNEEYEZDT-UHFFFAOYSA-N 1 0 341.455 2.944 50 0 EFAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccnn1C1CCCCC1 ZINC000299800092 258103498 /nfs/dbraw/zinc/10/34/98/258103498.db2.gz UXUZNQJMDHOYPK-HOTGVXAUSA-N 1 0 349.479 2.617 50 0 EFAARO Cc1ncn(CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000299800451 258103513 /nfs/dbraw/zinc/10/35/13/258103513.db2.gz WSMWGKYKHIVSET-UHFFFAOYSA-N 1 0 340.471 2.528 50 0 EFAARO c1c(CNc2cnccn2)nn2c1C[N@@H+](CC1CCCCC1)CC2 ZINC000299801343 258103999 /nfs/dbraw/zinc/10/39/99/258103999.db2.gz VZSWOVGUSXAGAS-UHFFFAOYSA-N 1 0 326.448 2.681 50 0 EFAARO CC[C@H]1CN(Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC[NH2+]1 ZINC000071774799 258064018 /nfs/dbraw/zinc/06/40/18/258064018.db2.gz MVDCOTLNUUHJDD-HNNXBMFYSA-N 1 0 345.443 2.851 50 0 EFAARO CCOCc1nc2c(c(N[C@@H](CC)c3cccnc3)n1)CC[NH2+]CC2 ZINC000072470509 258065124 /nfs/dbraw/zinc/06/51/24/258065124.db2.gz ARFKXYCSUIGEJP-INIZCTEOSA-N 1 0 341.459 2.660 50 0 EFAARO CC(C)[NH+]1CCC2(CC[C@H](CNC(=O)Nc3cccnc3)O2)CC1 ZINC000299757332 258075246 /nfs/dbraw/zinc/07/52/46/258075246.db2.gz LTDGLAOAYGBNQT-MRXNPFEDSA-N 1 0 332.448 2.625 50 0 EFAARO Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cc(C)ccc1OCC[NH3+] ZINC000299757147 258075569 /nfs/dbraw/zinc/07/55/69/258075569.db2.gz NELWRSWDMWMAJD-CQSZACIVSA-N 1 0 330.432 2.506 50 0 EFAARO COc1ccc(C)cc1NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000299758725 258075858 /nfs/dbraw/zinc/07/58/58/258075858.db2.gz LHUPGJICXFNTPY-INIZCTEOSA-N 1 0 347.459 2.769 50 0 EFAARO Cc1cnn(CCC(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000299761476 258078491 /nfs/dbraw/zinc/07/84/91/258078491.db2.gz MCLAPTQRHYCGDY-GOSISDBHSA-N 1 0 344.434 2.674 50 0 EFAARO CO[C@]12CC[N@H+](Cc3nc4c(ccc(C)c4C)[nH]3)[C@H]1C[C@H](O)CC2 ZINC000299762419 258079507 /nfs/dbraw/zinc/07/95/07/258079507.db2.gz WBDFSPZSXHHFSB-SIXWZSSISA-N 1 0 329.444 2.684 50 0 EFAARO CCn1ccc2cc(C[N@@H+]3CC[C@H]4OCc5cnnn5[C@H]4C3)ccc21 ZINC000299764920 258079996 /nfs/dbraw/zinc/07/99/96/258079996.db2.gz WOLMOMCIWZDOQG-RBUKOAKNSA-N 1 0 337.427 2.599 50 0 EFAARO Cc1csc([C@@H](C)NC(=O)c2cc(Cl)ccc2OCC[NH3+])n1 ZINC000299766633 258081352 /nfs/dbraw/zinc/08/13/52/258081352.db2.gz KJLBPPPIDUYTHD-SNVBAGLBSA-N 1 0 339.848 2.933 50 0 EFAARO COc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000367944158 149992662 /nfs/dbraw/zinc/99/26/62/149992662.db2.gz XDHXNVYQRFNBEI-MSOLQXFVSA-N 1 0 328.387 2.710 50 0 EFAARO COc1ccc2c(c1)CCC[C@@H]2n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072411446 286393204 /nfs/dbraw/zinc/39/32/04/286393204.db2.gz DTSJWMSOFDTATM-IBGZPJMESA-N 1 0 349.438 2.784 50 0 EFAARO CCC[C@@H]1CN(Cc2cc(C(=O)OC)ccc2OC)C[C@H]1[NH+](C)C ZINC000082156126 273618574 /nfs/dbraw/zinc/61/85/74/273618574.db2.gz YSQBVOVKDIXNQL-NVXWUHKLSA-N 1 0 334.460 2.644 50 0 EFAARO COc1ccc2c(c1)OC[C@H](C[NH2+]C1CSCCSC1)C2 ZINC000091306041 274130057 /nfs/dbraw/zinc/13/00/57/274130057.db2.gz RPSJFDZNFHNXGT-LBPRGKRZSA-N 1 0 325.499 2.685 50 0 EFAARO Oc1cc(-c2cccnc2)cc2c1OCC[N@@H+](C1CCOCC1)C2 ZINC000067676360 275060573 /nfs/dbraw/zinc/06/05/73/275060573.db2.gz AJQUJGPTCBJATR-UHFFFAOYSA-N 1 0 326.396 2.828 50 0 EFAARO c1c[nH]c(C[N@@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)n1 ZINC000072424499 275063554 /nfs/dbraw/zinc/06/35/54/275063554.db2.gz IONRFFHJZGGNOX-UHFFFAOYSA-N 1 0 348.454 2.988 50 0 EFAARO CCCCC(=O)N1CCCC[C@@H]([NH2+]C2CSCCSC2)C1 ZINC000082160929 276225996 /nfs/dbraw/zinc/22/59/96/276225996.db2.gz KKDNZWVGGZLZHG-CQSZACIVSA-N 1 0 330.563 2.996 50 0 EFAARO C[NH+]1CCN(CC[C@H]2CCCCN2C(=S)Nc2ccccc2)CC1 ZINC000022935442 277106772 /nfs/dbraw/zinc/10/67/72/277106772.db2.gz RHIRKHKXAMLAIB-GOSISDBHSA-N 1 0 346.544 2.875 50 0 EFAARO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(OC)c1 ZINC000022687729 277876535 /nfs/dbraw/zinc/87/65/35/277876535.db2.gz FQTNAPPXCJUDTL-AWEZNQCLSA-N 1 0 334.441 2.798 50 0 EFAARO CSc1cccc(NC(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000096135996 278176094 /nfs/dbraw/zinc/17/60/94/278176094.db2.gz BESJJQDDQBEXTL-UHFFFAOYSA-N 1 0 348.516 2.558 50 0 EFAARO O=C(C(C(=O)C(F)(F)F)[C@H]1[NH2+]CCc2ccccc21)C(F)(F)F ZINC000100333864 279732344 /nfs/dbraw/zinc/73/23/44/279732344.db2.gz ZSEUWKINLLCNHM-JTQLQIEISA-N 1 0 339.235 2.752 50 0 EFAARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(-c4ccncc4)nc3c12 ZINC000006669593 280224017 /nfs/dbraw/zinc/22/40/17/280224017.db2.gz WZCAEHWSUNQBLW-UHFFFAOYSA-N 1 0 349.442 2.710 50 0 EFAARO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)c(=O)[nH]c1C ZINC000012594058 280359098 /nfs/dbraw/zinc/35/90/98/280359098.db2.gz GMFYPVGOLNTBOJ-INIZCTEOSA-N 1 0 345.487 2.909 50 0 EFAARO CC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C1(c2ccccc2)CC[NH+](C)CC1 ZINC000220638199 288378107 /nfs/dbraw/zinc/37/81/07/288378107.db2.gz BNYOLVLGAZUTAD-YDZRNGNQSA-N 1 0 342.483 2.580 50 0 EFAARO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1ccccc1 ZINC000035080238 290026886 /nfs/dbraw/zinc/02/68/86/290026886.db2.gz HGOOISFRTZCVFQ-USXIJHARSA-N 1 0 334.460 2.955 50 0 EFAARO [NH3+][C@H]1CC[C@@H]([C@H]2CC(=O)Nc3cc(N4CCOC4=O)ccc32)CC1 ZINC000247754983 295341023 /nfs/dbraw/zinc/34/10/23/295341023.db2.gz VUCWSVNKPJNBLP-TYNCELHUSA-N 1 0 329.400 2.587 50 0 EFAARO O=C1C[C@H]([C@H]2CCCC=C2[NH+]2CCOCC2)C(=O)N1C1CCCCC1 ZINC000101130454 304649583 /nfs/dbraw/zinc/64/95/83/304649583.db2.gz MXERHNYIYPIRJW-IAGOWNOFSA-N 1 0 346.471 2.710 50 0 EFAARO Cc1cc(=O)oc2cc(OC[C@H](O)C[NH+]3CCC(C)CC3)ccc12 ZINC000001522276 301068588 /nfs/dbraw/zinc/06/85/88/301068588.db2.gz YFPSWUJBXCZZSZ-OAHLLOKOSA-N 1 0 331.412 2.573 50 0 EFAARO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c(Cl)cc1F ZINC000548370025 318100000 /nfs/dbraw/zinc/10/00/00/318100000.db2.gz HXUJFEBQQBKZSD-NSHDSACASA-N 1 0 334.844 2.550 50 0 EFAARO Cc1nc(-c2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)n[nH]1 ZINC000566892541 319119404 /nfs/dbraw/zinc/11/94/04/319119404.db2.gz XKIPJQRFGFRVKZ-MRXNPFEDSA-N 1 0 327.432 2.983 50 0 EFAARO O[C@@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1ccccc1Cl ZINC000005685433 323210405 /nfs/dbraw/zinc/21/04/05/323210405.db2.gz UZEMNULQSDGRJD-UONOGXRCSA-N 1 0 349.814 2.509 50 0 EFAARO Cc1cc(NC(=O)CC2CC[NH+](C)CC2)ccc1N1CCCC1=O ZINC000071385239 472548994 /nfs/dbraw/zinc/54/89/94/472548994.db2.gz UZHJTOINDNETMH-UHFFFAOYSA-N 1 0 329.444 2.792 50 0 EFAARO COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)CC(C)(C)O2 ZINC000071385317 472549258 /nfs/dbraw/zinc/54/92/58/472549258.db2.gz OWYFHFOLBDKMHL-CJNGLKHVSA-N 1 0 332.444 2.755 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2ccn(CCOC)c2c1 ZINC000095478454 473212616 /nfs/dbraw/zinc/21/26/16/473212616.db2.gz NQUJLTNBPLRKTJ-KRWDZBQOSA-N 1 0 329.444 2.502 50 0 EFAARO Cc1nnc(CCNC(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000095507119 473215724 /nfs/dbraw/zinc/21/57/24/473215724.db2.gz BHSBMZFOKLEUTA-LSDHHAIUSA-N 1 0 336.505 2.550 50 0 EFAARO CC(=O)N[C@@H]1C[N@@H+](Cc2cncn2Cc2ccccc2)C[C@H]1C(C)C ZINC000095496962 473213149 /nfs/dbraw/zinc/21/31/49/473213149.db2.gz JSHXKLLJKMBJFY-VQTJNVASSA-N 1 0 340.471 2.524 50 0 EFAARO CCCc1cnc(C)nc1N1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000095503364 473214426 /nfs/dbraw/zinc/21/44/26/473214426.db2.gz YWPJUPZPOGCFRI-ROUUACIJSA-N 1 0 332.492 2.599 50 0 EFAARO CCCc1cnc(C)nc1N1CCC([NH2+]CCc2ccccn2)CC1 ZINC000095503574 473214830 /nfs/dbraw/zinc/21/48/30/473214830.db2.gz SCOLTNQAWMUQAC-UHFFFAOYSA-N 1 0 339.487 2.934 50 0 EFAARO O=C(Nc1cccc2c1CCC2)N1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000095511414 473216695 /nfs/dbraw/zinc/21/66/95/473216695.db2.gz FFVZDTIEPTUAAZ-OALUTQOASA-N 1 0 343.471 2.628 50 0 EFAARO Nc1nccc(C2CC[NH+](C[C@@H]3CCOc4ccccc4C3)CC2)n1 ZINC000095512270 473217609 /nfs/dbraw/zinc/21/76/09/473217609.db2.gz DYWMBANISCXNII-OAHLLOKOSA-N 1 0 338.455 2.880 50 0 EFAARO Cc1noc(C)c1CCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095523023 473220460 /nfs/dbraw/zinc/22/04/60/473220460.db2.gz XETXDVJCOUTRLY-IAGOWNOFSA-N 1 0 331.460 2.557 50 0 EFAARO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(Cl)c2c1CCCC2=O ZINC000096028010 473257560 /nfs/dbraw/zinc/25/75/60/473257560.db2.gz MQNLHUKWWDPPEJ-LLVKDONJSA-N 1 0 325.836 2.987 50 0 EFAARO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000081820924 473259739 /nfs/dbraw/zinc/25/97/39/473259739.db2.gz MSJTUEMTZLFBFJ-INIZCTEOSA-N 1 0 326.444 2.548 50 0 EFAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000184892217 473265231 /nfs/dbraw/zinc/26/52/31/473265231.db2.gz ATXLASYOFMAYQQ-GOSISDBHSA-N 1 0 345.487 2.554 50 0 EFAARO CCCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)o1 ZINC000082097443 473287275 /nfs/dbraw/zinc/28/72/75/473287275.db2.gz JBNHFDFUKUTGAD-FQEVSTJZSA-N 1 0 348.487 2.819 50 0 EFAARO CC(C)C[N@@H+]1CCCn2nc(CNc3ncnc4c3CCC4)cc2C1 ZINC000082096674 473287570 /nfs/dbraw/zinc/28/75/70/473287570.db2.gz OTWYDNCCMOKVKS-UHFFFAOYSA-N 1 0 340.475 2.636 50 0 EFAARO COc1nccnc1N1C[C@@H]2CC[N@H+](Cc3ccc(C)s3)[C@@H]2C1 ZINC000082096856 473287736 /nfs/dbraw/zinc/28/77/36/473287736.db2.gz FDSPQPOHNIBEAC-DZGCQCFKSA-N 1 0 330.457 2.566 50 0 EFAARO CC(C)Cc1cc(C(=O)N(CC[NH+](C)C)C2CCCCC2)n(C)n1 ZINC000082096676 473288009 /nfs/dbraw/zinc/28/80/09/473288009.db2.gz PPRUZLPHYUSDTF-UHFFFAOYSA-N 1 0 334.508 2.955 50 0 EFAARO COc1c(C)cnc(C[N@H+](C)[C@@H]2CCOC3(CCOCC3)C2)c1C ZINC000082114988 473290468 /nfs/dbraw/zinc/29/04/68/473290468.db2.gz VSRZJQRWYCKCNC-MRXNPFEDSA-N 1 0 334.460 2.867 50 0 EFAARO O=c1[nH]c(NCc2nc(-c3ccccc3)cs2)nc2c1CC[NH2+]C2 ZINC000082120120 473291950 /nfs/dbraw/zinc/29/19/50/473291950.db2.gz ORYZSYNEESOMMS-UHFFFAOYSA-N 1 0 339.424 2.564 50 0 EFAARO CC[C@H]1CN(C(=O)Cc2ccc(F)c(F)c2F)CC[N@@H+]1C(C)C ZINC000082120183 473293100 /nfs/dbraw/zinc/29/31/00/473293100.db2.gz HNGAWGBHOCNLFR-ZDUSSCGKSA-N 1 0 328.378 2.978 50 0 EFAARO Cc1ccc2c(c1)c(C[NH2+][C@@H]1CCOC3(CCOCC3)C1)nn2C ZINC000082137609 473294152 /nfs/dbraw/zinc/29/41/52/473294152.db2.gz BCBNKGXPHFZZDZ-OAHLLOKOSA-N 1 0 329.444 2.700 50 0 EFAARO Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082147025 473295425 /nfs/dbraw/zinc/29/54/25/473295425.db2.gz KJMHWQNYNZOAEN-FQEVSTJZSA-N 1 0 348.462 2.721 50 0 EFAARO Cc1ccc(-c2nc([C@H]3C[NH2+]CCO3)n(CCc3ccccc3)n2)o1 ZINC000096130967 473309305 /nfs/dbraw/zinc/30/93/05/473309305.db2.gz IHUBEBJIQNFNEI-QGZVFWFLSA-N 1 0 338.411 2.750 50 0 EFAARO Cc1cc(C)c(NC(=O)NCC[N@@H+]2CCCC[C@H]2CO)c(Cl)c1 ZINC000096133770 473311535 /nfs/dbraw/zinc/31/15/35/473311535.db2.gz OUJDVGNJYWDMCY-AWEZNQCLSA-N 1 0 339.867 2.925 50 0 EFAARO CCCc1nc(C)cc(N2CCC([NH2+]CC3(O)CCCCC3)CC2)n1 ZINC000096137103 473311981 /nfs/dbraw/zinc/31/19/81/473311981.db2.gz ZDRCTKPPDBLEHH-UHFFFAOYSA-N 1 0 346.519 2.991 50 0 EFAARO O=C(CC[NH+]1CCCCC1)N1CCc2[nH]c(-c3ccccc3)nc2C1 ZINC000096139643 473312623 /nfs/dbraw/zinc/31/26/23/473312623.db2.gz OMNIXXJHKUFGEW-UHFFFAOYSA-N 1 0 338.455 2.837 50 0 EFAARO Cc1nc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)cs1 ZINC000096150481 473315220 /nfs/dbraw/zinc/31/52/20/473315220.db2.gz RPLOGVQSXOWENG-OAHLLOKOSA-N 1 0 329.469 2.979 50 0 EFAARO O=C(NC[C@@H](O)C[NH+]1CCCCCC1)Nc1ccc2scnc2c1 ZINC000096152926 473316549 /nfs/dbraw/zinc/31/65/49/473316549.db2.gz QBJCEDMPBMUDHO-CQSZACIVSA-N 1 0 348.472 2.655 50 0 EFAARO CCCc1cc(N2CCC([NH2+]Cc3[nH]cnc3C)CC2)nc(C)n1 ZINC000096163848 473321491 /nfs/dbraw/zinc/32/14/91/473321491.db2.gz ZTHWSUYNNXXCBK-UHFFFAOYSA-N 1 0 328.464 2.528 50 0 EFAARO COCc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C)C2)o1 ZINC000096162479 473321567 /nfs/dbraw/zinc/32/15/67/473321567.db2.gz QHZOFCFFMPOBBL-INIZCTEOSA-N 1 0 342.439 2.986 50 0 EFAARO C[NH+]1CCC(C(=O)N2c3ccccc3NC(=O)c3cccnc32)CC1 ZINC000000001845 471317956 /nfs/dbraw/zinc/31/79/56/471317956.db2.gz HPKYRXAEGNUARA-UHFFFAOYSA-N 1 0 336.395 2.654 50 0 in-man EFAARO O=C1C[C@@H]([NH2+]CCc2ccccc2F)C(=O)N1c1ccc(Cl)cc1 ZINC000000100485 471322864 /nfs/dbraw/zinc/32/28/64/471322864.db2.gz ZRLKKUJPUWYEKS-MRXNPFEDSA-N 1 0 346.789 2.943 50 0 EFAARO COc1ccc(C(=O)c2c3c(sc2NC(C)=O)C[NH2+]CC3)cc1 ZINC000000156239 471328901 /nfs/dbraw/zinc/32/89/01/471328901.db2.gz MTOFIUOMXAMWSJ-UHFFFAOYSA-N 1 0 330.409 2.592 50 0 EFAARO COc1cccc(N2CC[NH+](C[C@H](C)Nc3ccccn3)CC2)c1 ZINC000000163580 471330006 /nfs/dbraw/zinc/33/00/06/471330006.db2.gz CEZHZTKRMCCVSP-INIZCTEOSA-N 1 0 326.444 2.713 50 0 EFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000000178154 471331626 /nfs/dbraw/zinc/33/16/26/471331626.db2.gz XVILRDKHULNENT-MRXNPFEDSA-N 1 0 332.444 2.907 50 0 EFAARO O=C([C@H]1CCC[NH2+]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000000252079 471340459 /nfs/dbraw/zinc/34/04/59/471340459.db2.gz SCDXKAXLDKXXGE-HXUWFJFHSA-N 1 0 349.478 2.672 50 0 EFAARO CC(C)(C)[C@@H](O)Cn1c2ccccc2n(CC[NH+]2CCCCC2)c1=N ZINC000000274295 471342115 /nfs/dbraw/zinc/34/21/15/471342115.db2.gz MWCSFYNDOUZTLZ-SFHVURJKSA-N 1 0 344.503 2.815 50 0 EFAARO CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H]([NH+]2CCCCC2)[C@@H]1O ZINC000000293716 471344124 /nfs/dbraw/zinc/34/41/24/471344124.db2.gz HZFAZVKVQKOGJZ-AEFFLSMTSA-N 1 0 329.396 2.852 50 0 biogenic EFAARO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000000608963 471372174 /nfs/dbraw/zinc/37/21/74/471372174.db2.gz VIUMZUDSHKYSCY-KRWDZBQOSA-N 1 0 343.423 2.502 50 0 EFAARO COc1cc(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)ccc1O ZINC000000819210 471377701 /nfs/dbraw/zinc/37/77/01/471377701.db2.gz FCFZXZIZPAIHPM-UHFFFAOYSA-N 1 0 332.444 2.672 50 0 EFAARO Cc1cc(=O)oc2cc(OC[C@@H](O)C[N@H+]3CCC[C@H](C)C3)ccc12 ZINC000001522274 471392082 /nfs/dbraw/zinc/39/20/82/471392082.db2.gz UXDZYVBVMLGTGP-ZFWWWQNUSA-N 1 0 331.412 2.573 50 0 EFAARO COc1ccc(CC[NH2+]C[C@@H](O)COc2cccc(C)c2)cc1OC ZINC000001719652 471396836 /nfs/dbraw/zinc/39/68/36/471396836.db2.gz HXLAFSUPPDYFEO-QGZVFWFLSA-N 1 0 345.439 2.584 50 0 world EFAARO C[C@H]1CCCc2sc3nc(NCC[NH+](C)C)n4ncnc4c3c21 ZINC000002217095 471404028 /nfs/dbraw/zinc/40/40/28/471404028.db2.gz MIJORAAKPPVWME-JTQLQIEISA-N 1 0 330.461 2.752 50 0 EFAARO CC(C)[NH2+]CCOCCOc1ccccc1I ZINC000002981132 471430983 /nfs/dbraw/zinc/43/09/83/471430983.db2.gz QMLKTVVMAWZAPX-UHFFFAOYSA-N 1 0 349.212 2.685 50 0 EFAARO O=C(COc1ccccc1F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000003209347 471436631 /nfs/dbraw/zinc/43/66/31/471436631.db2.gz LDXFMFNFVSUJAQ-UHFFFAOYSA-N 1 0 342.414 2.985 50 0 EFAARO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000003362732 471443716 /nfs/dbraw/zinc/44/37/16/471443716.db2.gz NQEFDYMTXFKCNP-UHFFFAOYSA-N 1 0 339.288 2.860 50 0 EFAARO CC(C)C[NH2+]CCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004608442 471469143 /nfs/dbraw/zinc/46/91/43/471469143.db2.gz OLMNGTBYHXSCHX-UHFFFAOYSA-N 1 0 328.460 2.905 50 0 EFAARO CC(C)C[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000004725542 471471770 /nfs/dbraw/zinc/47/17/70/471471770.db2.gz QQCDZBDQAHHQQF-UHFFFAOYSA-N 1 0 343.515 2.699 50 0 EFAARO O=C(CC[N@@H+](CCO)Cc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000004724981 471472011 /nfs/dbraw/zinc/47/20/11/471472011.db2.gz BONQYLULHXAPGO-UHFFFAOYSA-N 1 0 338.451 2.998 50 0 EFAARO CS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@H]1[NH+]1CCCCC1 ZINC000004958064 471480241 /nfs/dbraw/zinc/48/02/41/471480241.db2.gz JQILUMBUNLQQNH-ZWKOTPCHSA-N 1 0 330.453 2.971 50 0 EFAARO COc1ccccc1-c1cnn2c1nc(C)cc2NCC[NH+](C)C ZINC000005348311 471501390 /nfs/dbraw/zinc/50/13/90/471501390.db2.gz SSJIQFCKANTYGG-UHFFFAOYSA-N 1 0 325.416 2.687 50 0 EFAARO CC[NH+]1CCN(c2nc3nccnc3c(Nc3ccc(C)cc3)n2)CC1 ZINC000009074122 471709465 /nfs/dbraw/zinc/70/94/65/471709465.db2.gz AFHQUODGVJQXIQ-UHFFFAOYSA-N 1 0 349.442 2.614 50 0 EFAARO O=C(CCc1cnccn1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012028451 471762374 /nfs/dbraw/zinc/76/23/74/471762374.db2.gz VXOPCPCHRBLASV-GOSISDBHSA-N 1 0 330.476 2.570 50 0 EFAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ncc[nH]3)C2)cc1 ZINC000012445168 471776000 /nfs/dbraw/zinc/77/60/00/471776000.db2.gz ARZGPIJBIHJYPL-SFHVURJKSA-N 1 0 342.487 2.805 50 0 EFAARO Cc1cccc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)n1 ZINC000012447905 471776461 /nfs/dbraw/zinc/77/64/61/471776461.db2.gz FLEBUUUFBZTFEM-IBGZPJMESA-N 1 0 345.487 2.677 50 0 EFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012576109 471783347 /nfs/dbraw/zinc/78/33/47/471783347.db2.gz VVDAWQVNCQCVMB-GOSISDBHSA-N 1 0 341.499 2.642 50 0 EFAARO CC[N@@H+]1CCC[C@@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 ZINC000012594641 471784889 /nfs/dbraw/zinc/78/48/89/471784889.db2.gz UVQKLPWJZIBVDO-HNNXBMFYSA-N 1 0 334.460 2.832 50 0 EFAARO CC[N@@H+]1CCC[C@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 ZINC000012594647 471785184 /nfs/dbraw/zinc/78/51/84/471785184.db2.gz UVQKLPWJZIBVDO-OAHLLOKOSA-N 1 0 334.460 2.832 50 0 EFAARO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000012702617 471790433 /nfs/dbraw/zinc/79/04/33/471790433.db2.gz BGSMDKVTZZERLF-LJQANCHMSA-N 1 0 336.451 2.657 50 0 EFAARO CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COCc1ccccc1 ZINC000013154332 471819139 /nfs/dbraw/zinc/81/91/39/471819139.db2.gz UKWATYGJMGOLCK-QGZVFWFLSA-N 1 0 325.432 2.606 50 0 EFAARO Cc1cc2c(cc1C)[n+](C[C@H](O)COCc1ccccc1)cn2C ZINC000013154268 471819501 /nfs/dbraw/zinc/81/95/01/471819501.db2.gz PQUKQFYAORHKTG-SFHVURJKSA-N 1 0 325.432 2.660 50 0 EFAARO COc1cc(OC)c(NC(=O)N2CC[NH+](C(C)C)CC2)cc1Cl ZINC000013323167 471824976 /nfs/dbraw/zinc/82/49/76/471824976.db2.gz ROGQXZAUVZUNNM-UHFFFAOYSA-N 1 0 341.839 2.915 50 0 EFAARO COc1ccc(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000013624309 471835017 /nfs/dbraw/zinc/83/50/17/471835017.db2.gz RFLFVCAXDFBCLJ-QGZVFWFLSA-N 1 0 328.412 2.784 50 0 EFAARO COc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000013669778 471837659 /nfs/dbraw/zinc/83/76/59/471837659.db2.gz HWAGRTXGUAYNPA-GASCZTMLSA-N 1 0 334.460 2.802 50 0 EFAARO CC[NH+](CC)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014543758 471874209 /nfs/dbraw/zinc/87/42/09/471874209.db2.gz DZKMRAWFLKAASM-MRXNPFEDSA-N 1 0 346.519 2.974 50 0 EFAARO CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014742166 471878449 /nfs/dbraw/zinc/87/84/49/471878449.db2.gz KSJZCITWCPYRAU-UHFFFAOYSA-N 1 0 343.471 2.961 50 0 EFAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]C3CCC3)C2=O)cc1 ZINC000014954304 471882752 /nfs/dbraw/zinc/88/27/52/471882752.db2.gz OXLZUSPWFVCCLZ-HXUWFJFHSA-N 1 0 330.472 2.806 50 0 EFAARO O=C1OCC[C@@H]2[C@@H]1[C@@H]1CCC[N@@H+]1C21CCN(Cc2ccccc2)CC1 ZINC000014944188 471883035 /nfs/dbraw/zinc/88/30/35/471883035.db2.gz QTWXGPYSKRWGJN-CEXWTWQISA-N 1 0 340.467 2.679 50 0 EFAARO COc1ccc(CCN2C[C@@H]([NH2+]Cc3ccc(F)cc3)CC2=O)cc1 ZINC000014949585 471883417 /nfs/dbraw/zinc/88/34/17/471883417.db2.gz QGTVIHWKCWBVNB-SFHVURJKSA-N 1 0 342.414 2.768 50 0 EFAARO CN(C(=O)C1CCOCC1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015061708 471886169 /nfs/dbraw/zinc/88/61/69/471886169.db2.gz HUQRNPWLTQCZEA-LJQANCHMSA-N 1 0 330.472 2.579 50 0 EFAARO CN(c1ncccc1CNC(=O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000015071468 471887287 /nfs/dbraw/zinc/88/72/87/471887287.db2.gz PKFGPSYRPVJEBE-UHFFFAOYSA-N 1 0 344.503 2.953 50 0 EFAARO COc1cccc(C[NH2+][C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1 ZINC000015066583 471887389 /nfs/dbraw/zinc/88/73/89/471887389.db2.gz XZIOYAQYPADIDG-SFHVURJKSA-N 1 0 342.414 2.768 50 0 EFAARO CCCn1ncc(C[NH2+][C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1C ZINC000015071803 471887778 /nfs/dbraw/zinc/88/77/78/471887778.db2.gz KUVIGYRRBXSXLN-GOSISDBHSA-N 1 0 344.434 2.631 50 0 EFAARO C[C@@H]1CN(C(=O)C2([NH+]3CCCCC3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000015068008 471888116 /nfs/dbraw/zinc/88/81/16/471888116.db2.gz STEKYGDNJNKAEX-CALCHBBNSA-N 1 0 342.483 2.646 50 0 EFAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]Cc3ccccc3)C2=O)c1 ZINC000015076887 471888438 /nfs/dbraw/zinc/88/84/38/471888438.db2.gz RMUZGRUWPVLVFZ-NRFANRHFSA-N 1 0 338.451 2.638 50 0 EFAARO CSc1ccc(C(=O)N[C@H]2CCCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000015076987 471888654 /nfs/dbraw/zinc/88/86/54/471888654.db2.gz SFFPWBSMJLHATP-INIZCTEOSA-N 1 0 347.528 2.697 50 0 EFAARO COc1cc(C[NH2+][C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)ccc1F ZINC000015076263 471888820 /nfs/dbraw/zinc/88/88/20/471888820.db2.gz RBODAWDLLRPPDC-MRXNPFEDSA-N 1 0 346.377 2.864 50 0 EFAARO COc1ccc(OC[C@H](O)C[n+]2cn(C)c3cc(C)c(C)cc32)cc1 ZINC000015746067 471915919 /nfs/dbraw/zinc/91/59/19/471915919.db2.gz UEXCPFTTYNJCTA-MRXNPFEDSA-N 1 0 341.431 2.531 50 0 EFAARO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016605913 471944377 /nfs/dbraw/zinc/94/43/77/471944377.db2.gz FDFUEKVILKOYCO-GOSISDBHSA-N 1 0 334.460 2.842 50 0 EFAARO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccc2c(c1)OCCO2 ZINC000016623856 471944384 /nfs/dbraw/zinc/94/43/84/471944384.db2.gz LEXZPVZERYIEBO-CQSZACIVSA-N 1 0 345.443 2.844 50 0 EFAARO COc1ccc(OC)c(NC(=S)NC2CC[NH+](C(C)C)CC2)c1 ZINC000017070946 471955378 /nfs/dbraw/zinc/95/53/78/471955378.db2.gz ZZWMPTDNGVDQGJ-UHFFFAOYSA-N 1 0 337.489 2.863 50 0 EFAARO CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019537602 471981104 /nfs/dbraw/zinc/98/11/04/471981104.db2.gz YKVWVMYXYVXVLF-HXUWFJFHSA-N 1 0 340.467 2.811 50 0 EFAARO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000019812155 471985160 /nfs/dbraw/zinc/98/51/60/471985160.db2.gz BUELKERURUOIFV-LJQANCHMSA-N 1 0 326.440 2.557 50 0 EFAARO CCOC(=O)C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000034320142 471989493 /nfs/dbraw/zinc/98/94/93/471989493.db2.gz WEVYRERJWPPGNZ-UHFFFAOYSA-N 1 0 340.464 2.661 50 0 EFAARO Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000067268286 472012314 /nfs/dbraw/zinc/01/23/14/472012314.db2.gz FHNTZXJUHUPDTC-IBGZPJMESA-N 1 0 342.487 2.697 50 0 EFAARO C[NH+]1CCN([C@H](CNC(=O)C2CCCCC2)c2ccsc2)CC1 ZINC000022794285 472021614 /nfs/dbraw/zinc/02/16/14/472021614.db2.gz XQFNAHGMRIROAA-QGZVFWFLSA-N 1 0 335.517 2.733 50 0 EFAARO COc1ccc(F)c(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c1 ZINC000039429871 472024488 /nfs/dbraw/zinc/02/44/88/472024488.db2.gz NMNBKMAXVMUBQI-QGZVFWFLSA-N 1 0 336.451 2.646 50 0 EFAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCCCC3)nc2)C1 ZINC000067587170 472053474 /nfs/dbraw/zinc/05/34/74/472053474.db2.gz KZZAIWWBZCFGAZ-KRWDZBQOSA-N 1 0 344.503 2.780 50 0 EFAARO O=C(CCc1cccnc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000041363743 472058226 /nfs/dbraw/zinc/05/82/26/472058226.db2.gz FAHXTJXWEMWVDC-UHFFFAOYSA-N 1 0 329.469 2.810 50 0 EFAARO O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1ccco1 ZINC000067641888 472063633 /nfs/dbraw/zinc/06/36/33/472063633.db2.gz SFZOGCWQOYGGCS-IBGZPJMESA-N 1 0 334.460 2.693 50 0 EFAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3cccc(F)c3)cnn2c1 ZINC000067724647 472079857 /nfs/dbraw/zinc/07/98/57/472079857.db2.gz CZBGOJDJVIGLCV-UHFFFAOYSA-N 1 0 341.390 2.963 50 0 EFAARO CNc1ccc(C)cc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000067878939 472103393 /nfs/dbraw/zinc/10/33/93/472103393.db2.gz QJWWSFUNGIBZLC-INIZCTEOSA-N 1 0 338.455 2.684 50 0 EFAARO Ic1ccc(COC[C@H]2CCC[NH2+]C2)cc1 ZINC000042782968 472170362 /nfs/dbraw/zinc/17/03/62/472170362.db2.gz HWZDPNVRWARLSN-LBPRGKRZSA-N 1 0 331.197 2.807 50 0 EFAARO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055414875 472182740 /nfs/dbraw/zinc/18/27/40/472182740.db2.gz HMZLLZQIJPKLFT-ZIFCJYIRSA-N 1 0 345.487 2.852 50 0 EFAARO CC[C@H]1CN(C(=O)c2ccc(NCC3CC3)nc2)CC[N@@H+]1C(C)C ZINC000085538293 472256120 /nfs/dbraw/zinc/25/61/20/472256120.db2.gz YDAOCDPAHYFQKR-KRWDZBQOSA-N 1 0 330.476 2.848 50 0 EFAARO CC(C)CS(=O)(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043944340 472274587 /nfs/dbraw/zinc/27/45/87/472274587.db2.gz QXIXLEDABZZCHR-UHFFFAOYSA-N 1 0 330.519 2.536 50 0 EFAARO CCOCC(=O)NCC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000043990955 472278347 /nfs/dbraw/zinc/27/83/47/472278347.db2.gz JGRXMCQMXJBYCP-UHFFFAOYSA-N 1 0 336.501 2.773 50 0 EFAARO Cn1cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000030318861 472327640 /nfs/dbraw/zinc/32/76/40/472327640.db2.gz BGLNSAAEKAKORO-UHFFFAOYSA-N 1 0 333.435 2.966 50 0 EFAARO COc1ccccc1OCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000069416143 472337115 /nfs/dbraw/zinc/33/71/15/472337115.db2.gz FPTBZTCFNBNTSR-INIZCTEOSA-N 1 0 327.428 2.903 50 0 EFAARO Cn1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000069454078 472347283 /nfs/dbraw/zinc/34/72/83/472347283.db2.gz PLHQDJNAVFKZIO-RBUKOAKNSA-N 1 0 338.455 2.689 50 0 EFAARO CC1(C)CC(NC(=O)C(=O)Nc2cccc3[nH]ccc32)CC(C)(C)[NH2+]1 ZINC000032093227 472414244 /nfs/dbraw/zinc/41/42/44/472414244.db2.gz CSBANKXRMZMJRQ-UHFFFAOYSA-N 1 0 342.443 2.532 50 0 EFAARO C[C@@H](O)C[NH2+]CCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000032541395 472444197 /nfs/dbraw/zinc/44/41/97/472444197.db2.gz UDHQGGMVYMZUNK-LLVKDONJSA-N 1 0 326.799 2.799 50 0 EFAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2cc(C)ccc2C)n1 ZINC000077136025 472457157 /nfs/dbraw/zinc/45/71/57/472457157.db2.gz QORYLQHKZIEQHG-UHFFFAOYSA-N 1 0 327.432 2.676 50 0 EFAARO Cc1nnc2n1C[C@H]([NH2+]Cc1ccc(OCc3ccccn3)cc1)CC2 ZINC000097199426 472474616 /nfs/dbraw/zinc/47/46/16/472474616.db2.gz DNMOOSQGDRBVGL-QGZVFWFLSA-N 1 0 349.438 2.665 50 0 EFAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCc3nc(C)cn3C2)cc1 ZINC000097198624 472475381 /nfs/dbraw/zinc/47/53/81/472475381.db2.gz SSJUJHYPAKBSLL-SFHVURJKSA-N 1 0 340.471 2.778 50 0 EFAARO Cc1ccc(NC[C@H]2CC[N@H+](CCC(=O)NC3CCCC3)C2)nc1 ZINC000097200528 472477252 /nfs/dbraw/zinc/47/72/52/472477252.db2.gz DWMCIPNCNVHROJ-MRXNPFEDSA-N 1 0 330.476 2.573 50 0 EFAARO Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc4c(c3)OC(=O)C4)C2)n1 ZINC000097200546 472477673 /nfs/dbraw/zinc/47/76/73/472477673.db2.gz KJTFJZOVEYJDAE-MRXNPFEDSA-N 1 0 337.423 2.786 50 0 EFAARO Cc1ccnc(NC[C@H]2CC[N@H+](CCC(=O)NC3CCCC3)C2)c1 ZINC000097200814 472478448 /nfs/dbraw/zinc/47/84/48/472478448.db2.gz PHPRUUQYUUHOLK-MRXNPFEDSA-N 1 0 330.476 2.573 50 0 EFAARO COc1ccc(-c2ccc(C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)o2)cc1 ZINC000077287416 472494122 /nfs/dbraw/zinc/49/41/22/472494122.db2.gz QVGCDCQFZDKYBG-GOEBONIOSA-N 1 0 326.396 2.731 50 0 EFAARO C[C@H](C1CCN(c2nc(-c3ccccc3)no2)CC1)[NH+]1CCOCC1 ZINC000077285949 472494464 /nfs/dbraw/zinc/49/44/64/472494464.db2.gz PXSHZLDGQRCJGM-OAHLLOKOSA-N 1 0 342.443 2.674 50 0 EFAARO O=C(C[NH+]1CCCCCC1)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000077299990 472496936 /nfs/dbraw/zinc/49/69/36/472496936.db2.gz JNDYPWGBNBVJMZ-FQEVSTJZSA-N 1 0 344.499 2.705 50 0 EFAARO Cc1c(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)[nH]c2c1c(C)ccc2C ZINC000097492563 472497772 /nfs/dbraw/zinc/49/77/72/472497772.db2.gz ZDKPIAMYOOKOFH-MRXNPFEDSA-N 1 0 343.471 2.670 50 0 EFAARO Cc1c(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)[nH]c2c1c(C)ccc2C ZINC000097492564 472497799 /nfs/dbraw/zinc/49/77/99/472497799.db2.gz ZDKPIAMYOOKOFH-INIZCTEOSA-N 1 0 343.471 2.670 50 0 EFAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000097546628 472499134 /nfs/dbraw/zinc/49/91/34/472499134.db2.gz OUEKCHKKEBEQPP-AWEZNQCLSA-N 1 0 344.377 2.821 50 0 EFAARO Cc1cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)n(C)n1 ZINC000077337495 472505888 /nfs/dbraw/zinc/50/58/88/472505888.db2.gz LTCBDJRMIHUSBY-UHFFFAOYSA-N 1 0 340.471 2.509 50 0 EFAARO c1cn(CC[C@H]2CCCC[N@@H+]2Cc2cnc(N3CCCC3)nc2)cn1 ZINC000077354665 472511366 /nfs/dbraw/zinc/51/13/66/472511366.db2.gz VOIQBDWFFHCCBA-GOSISDBHSA-N 1 0 340.475 2.718 50 0 EFAARO O=C(CCCc1cccs1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077355340 472511863 /nfs/dbraw/zinc/51/18/63/472511863.db2.gz OZFRSEBKVHKKMY-GOSISDBHSA-N 1 0 336.501 2.520 50 0 EFAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc2c(c1)CCO2 ZINC000077385913 472518323 /nfs/dbraw/zinc/51/83/23/472518323.db2.gz RAOXHMOKESYHNF-LJQANCHMSA-N 1 0 336.435 2.750 50 0 EFAARO c1ccc(-c2nnc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)o2)cc1 ZINC000077388996 472518338 /nfs/dbraw/zinc/51/83/38/472518338.db2.gz DYQZPFNFWRWIDQ-HNNXBMFYSA-N 1 0 329.400 2.554 50 0 EFAARO CNc1nc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)cs1 ZINC000077393825 472519511 /nfs/dbraw/zinc/51/95/11/472519511.db2.gz KBSPASXBRYLJPQ-GOEBONIOSA-N 1 0 344.484 2.663 50 0 EFAARO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cc1C ZINC000077406142 472520989 /nfs/dbraw/zinc/52/09/89/472520989.db2.gz MRQNGCIOFHUXRB-HXUWFJFHSA-N 1 0 330.472 2.500 50 0 EFAARO O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2cccc(OC(F)F)c2)C1 ZINC000077406822 472522267 /nfs/dbraw/zinc/52/22/67/472522267.db2.gz PDLDVDNQUHMSPR-GOSISDBHSA-N 1 0 340.414 2.711 50 0 EFAARO O=C(C(C(=O)C(F)(F)F)[C@@H]1[NH2+]CCc2ccccc21)C(F)(F)F ZINC000100333868 472527276 /nfs/dbraw/zinc/52/72/76/472527276.db2.gz ZSEUWKINLLCNHM-SNVBAGLBSA-N 1 0 339.235 2.752 50 0 EFAARO O=C1CC[C@]2(CCC[N@H+](Cc3cccc(Cl)c3)C2)CN1CCO ZINC000077438812 472527445 /nfs/dbraw/zinc/52/74/45/472527445.db2.gz YCCKORRBRLTUCL-SFHVURJKSA-N 1 0 336.863 2.537 50 0 EFAARO C[C@@H](C1CCN(c2noc(-c3ccccc3)n2)CC1)[NH+]1CCOCC1 ZINC000077439928 472527654 /nfs/dbraw/zinc/52/76/54/472527654.db2.gz DFDMFMNKLKCWPO-HNNXBMFYSA-N 1 0 342.443 2.674 50 0 EFAARO C[C@H](C1CCN(c2noc(-c3ccccc3)n2)CC1)[NH+]1CCOCC1 ZINC000077439930 472527748 /nfs/dbraw/zinc/52/77/48/472527748.db2.gz DFDMFMNKLKCWPO-OAHLLOKOSA-N 1 0 342.443 2.674 50 0 EFAARO CN(C)Cc1nnc(C2CC[NH+](CCCc3ccccc3)CC2)n1C ZINC000077439534 472527759 /nfs/dbraw/zinc/52/77/59/472527759.db2.gz UGYWLFZHIOAUHZ-UHFFFAOYSA-N 1 0 341.503 2.689 50 0 EFAARO COc1ccc(OC)c([C@@H]2CC[N@H+](CC(C)(C)N3CCOCC3)C2)c1 ZINC000077452810 472530024 /nfs/dbraw/zinc/53/00/24/472530024.db2.gz NFHSTORMAMBJEB-MRXNPFEDSA-N 1 0 348.487 2.604 50 0 EFAARO O=C1C[C@H]([C@@H]2CCCC=C2[NH+]2CCOCC2)C(=O)N1C1CCCCC1 ZINC000101130449 472530624 /nfs/dbraw/zinc/53/06/24/472530624.db2.gz MXERHNYIYPIRJW-DLBZAZTESA-N 1 0 346.471 2.710 50 0 EFAARO Cn1c(CN2CC[C@@](O)(C[NH+]3CCCCC3)C2)cc2ccccc21 ZINC000077470052 472533010 /nfs/dbraw/zinc/53/30/10/472533010.db2.gz CTOJFVZSMPMTPH-HXUWFJFHSA-N 1 0 327.472 2.601 50 0 EFAARO CC(C)=CC(=O)NC[C@@H]1CC[N@H+](Cc2cc3c(cc2C)OCO3)C1 ZINC000071278782 472545814 /nfs/dbraw/zinc/54/58/14/472545814.db2.gz ALXPKLJPKDPTOU-HNNXBMFYSA-N 1 0 330.428 2.628 50 0 EFAARO CC(C)c1nccc(C[N@@H+]2CCCC[C@H]2CCN2CCCC2=O)n1 ZINC000077520130 472546054 /nfs/dbraw/zinc/54/60/54/472546054.db2.gz YMBZROPEZRNYJO-KRWDZBQOSA-N 1 0 330.476 2.967 50 0 EFAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@@H]1CCSC1 ZINC000071415808 472550316 /nfs/dbraw/zinc/55/03/16/472550316.db2.gz XVDOPPZQXBNLMR-CYBMUJFWSA-N 1 0 347.484 2.584 50 0 EFAARO COc1ccc([C@@H]([NH3+])CC(=O)N2C[C@@H]3CC=CC[C@@H]3C2)cc1OC ZINC000071415654 472550539 /nfs/dbraw/zinc/55/05/39/472550539.db2.gz OAMZBWMQTNUGTR-XHSDSOJGSA-N 1 0 330.428 2.518 50 0 EFAARO Cc1nc2cc(C(=O)N3CCN(c4cc(C)[nH+]c(C)c4)CC3)ccc2[nH]1 ZINC000077541557 472551795 /nfs/dbraw/zinc/55/17/95/472551795.db2.gz JXCTYFYKOAAZJI-UHFFFAOYSA-N 1 0 349.438 2.846 50 0 EFAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NC(C)(C)c3ccccc3)C2)CC1 ZINC000071613784 472553101 /nfs/dbraw/zinc/55/31/01/472553101.db2.gz GXDNHTNVQARGHA-KRWDZBQOSA-N 1 0 343.515 2.844 50 0 EFAARO C[NH+]1CCC(c2nccn2CCc2nc(-c3ccccc3)no2)CC1 ZINC000071746103 472556593 /nfs/dbraw/zinc/55/65/93/472556593.db2.gz ADZYTIAYHSRDCR-UHFFFAOYSA-N 1 0 337.427 2.985 50 0 EFAARO CC(C)(C)C[NH+]1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 ZINC000071712215 472556936 /nfs/dbraw/zinc/55/69/36/472556936.db2.gz SJRYKXPPGFEUEX-UHFFFAOYSA-N 1 0 328.460 2.845 50 0 EFAARO CC(C)[C@@H]1CN(CCC[NH+](C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071756829 472560366 /nfs/dbraw/zinc/56/03/66/472560366.db2.gz POTJQQQZDBKVSE-IBGZPJMESA-N 1 0 349.494 2.836 50 0 EFAARO CNC(=O)[C@H]1CC[N@H+](Cc2nc(-c3ccc(SC)cc3)oc2C)C1 ZINC000071759851 472561494 /nfs/dbraw/zinc/56/14/94/472561494.db2.gz BDFNPUVJQPXBMK-AWEZNQCLSA-N 1 0 345.468 2.940 50 0 EFAARO Cc1cc(C)c(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c(=O)[nH]1 ZINC000071762813 472561932 /nfs/dbraw/zinc/56/19/32/472561932.db2.gz AVULNAQWGOTTFA-KRWDZBQOSA-N 1 0 345.487 2.574 50 0 EFAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCc1ccc(C)cc1C ZINC000058415085 472565702 /nfs/dbraw/zinc/56/57/02/472565702.db2.gz QGPCQEUDUZHOFS-UHFFFAOYSA-N 1 0 342.487 2.514 50 0 EFAARO COc1c(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)c(C)nn1C ZINC000058426195 472567864 /nfs/dbraw/zinc/56/78/64/472567864.db2.gz WORDFDZPBSACGJ-UHFFFAOYSA-N 1 0 332.423 2.635 50 0 EFAARO COc1c(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(C)nn1C ZINC000058432785 472569505 /nfs/dbraw/zinc/56/95/05/472569505.db2.gz CZBNKGVFCVKMBQ-CYBMUJFWSA-N 1 0 342.443 2.715 50 0 EFAARO Cc1nn(C)c(N(C)C)c1CNC1CC[NH+](CC2CCCCC2)CC1 ZINC000058430433 472569872 /nfs/dbraw/zinc/56/98/72/472569872.db2.gz HEMYEZLVYSEFML-UHFFFAOYSA-N 1 0 347.551 2.929 50 0 EFAARO CCOC(=O)CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072154214 472631566 /nfs/dbraw/zinc/63/15/66/472631566.db2.gz HRNKQLAHCXFDHD-HMXCVIKNSA-N 1 0 342.483 2.892 50 0 EFAARO Cc1nnnn1CCC[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000072160918 472631848 /nfs/dbraw/zinc/63/18/48/472631848.db2.gz HFRZOBSPGRSCJR-HNNXBMFYSA-N 1 0 349.429 2.995 50 0 EFAARO C[NH+](C)C[C@H]1CSCCCN1C(=O)NCc1ccc(Cl)cc1 ZINC000090700241 472653994 /nfs/dbraw/zinc/65/39/94/472653994.db2.gz LFYVVHCHSDCEFY-HNNXBMFYSA-N 1 0 341.908 2.919 50 0 EFAARO O=C1Nc2ccc(F)cc2[C@]12CC[NH2+][C@@H]2c1ccc2c(c1)OCCO2 ZINC000061720050 472716215 /nfs/dbraw/zinc/71/62/15/472716215.db2.gz OUCRRDBJLYGBOD-MJGOQNOKSA-N 1 0 340.354 2.521 50 0 EFAARO CN1CC[N@H+](CCCCCF)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091270487 472749907 /nfs/dbraw/zinc/74/99/07/472749907.db2.gz IKYUCSJAUOBWKB-IBGZPJMESA-N 1 0 339.499 2.535 50 0 EFAARO COc1ccc2c(c1)OC[C@@H](Cc1ccc(C[NH2+]CCO)cc1)C2 ZINC000091621140 472784980 /nfs/dbraw/zinc/78/49/80/472784980.db2.gz QPTDAJXIHXEFNA-KRWDZBQOSA-N 1 0 327.424 2.571 50 0 EFAARO CCc1nnc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)o1 ZINC000091636174 472788783 /nfs/dbraw/zinc/78/87/83/472788783.db2.gz IEJMIHKGMKAABJ-DOTOQJQBSA-N 1 0 344.434 2.868 50 0 EFAARO Cc1cccc(N2CCC([N@@H+]3CC[C@]4(C3)CCCNC4=O)CC2)c1C ZINC000091663621 472790891 /nfs/dbraw/zinc/79/08/91/472790891.db2.gz GXKLQZGLYQDSQA-NRFANRHFSA-N 1 0 341.499 2.874 50 0 EFAARO Cn1c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)cc2cccc(Cl)c21 ZINC000091713474 472797808 /nfs/dbraw/zinc/79/78/08/472797808.db2.gz SHZYXBZTTIATPV-GXTWGEPZSA-N 1 0 331.847 2.998 50 0 EFAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc2cccc(F)c2n1 ZINC000091819676 472812071 /nfs/dbraw/zinc/81/20/71/472812071.db2.gz NHVGYEDTKPHNHW-HNNXBMFYSA-N 1 0 345.418 2.557 50 0 EFAARO Cc1ccc2c(c1)c(CNC(=O)CC[C@H]1CCC[N@H+](C)C1)nn2C ZINC000092020203 472845433 /nfs/dbraw/zinc/84/54/33/472845433.db2.gz XGWBHSPTCXGAFB-OAHLLOKOSA-N 1 0 328.460 2.620 50 0 EFAARO CC(C)c1nn(C)cc1C[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000048355959 472864223 /nfs/dbraw/zinc/86/42/23/472864223.db2.gz UWANDTQSVQUZFO-UHFFFAOYSA-N 1 0 326.444 2.960 50 0 EFAARO O=C([C@@H]1CCCO1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106638365 472875461 /nfs/dbraw/zinc/87/54/61/472875461.db2.gz PEQFSIVACLVVNV-OTWHNJEPSA-N 1 0 328.456 2.821 50 0 EFAARO COc1cccc(N2CC[NH+](C[C@H](O)c3ccc(C)cc3)CC2)c1 ZINC000065255289 472915359 /nfs/dbraw/zinc/91/53/59/472915359.db2.gz YBVOPGGMMKQHCE-FQEVSTJZSA-N 1 0 326.440 2.859 50 0 EFAARO CC(C)c1nc(N2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)no1 ZINC000106946629 472917864 /nfs/dbraw/zinc/91/78/64/472917864.db2.gz SPFXZYJYFBEXKT-INIZCTEOSA-N 1 0 336.480 2.646 50 0 EFAARO C[N@H+](CCC(=O)NC1CCCCC1)C[C@@H]1COc2ccccc2O1 ZINC000065373747 472927673 /nfs/dbraw/zinc/92/76/73/472927673.db2.gz RWDKUEUUDMSRTE-MRXNPFEDSA-N 1 0 332.444 2.597 50 0 EFAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCc2ccc(-c3noc(C)n3)cc2)C1 ZINC000065382678 472929814 /nfs/dbraw/zinc/92/98/14/472929814.db2.gz RLCVBAAZHHKUKO-LJQANCHMSA-N 1 0 342.443 2.783 50 0 EFAARO Cc1cc(NC[C@@H](c2ccccn2)[NH+](C)C)nc(-c2cccnc2)n1 ZINC000065381048 472930016 /nfs/dbraw/zinc/93/00/16/472930016.db2.gz DOJGVVKPFQCOBY-KRWDZBQOSA-N 1 0 334.427 2.957 50 0 EFAARO O=C(NCCC1=CCC[N@H+](CCCn2cccc2)C1)c1ccco1 ZINC000065387094 472931086 /nfs/dbraw/zinc/93/10/86/472931086.db2.gz FSTQQJWZPACORN-UHFFFAOYSA-N 1 0 327.428 2.923 50 0 EFAARO Cc1cc(C)n([C@H]2CC[N@H+](CCC(=O)NCc3ccc(C)cc3)C2)n1 ZINC000065393588 472932193 /nfs/dbraw/zinc/93/21/93/472932193.db2.gz VZQADQMIWPRKTE-IBGZPJMESA-N 1 0 340.471 2.762 50 0 EFAARO Cc1cc(C)n(C2CN(c3cc(C)[nH+]c(N4CCCCC4)n3)C2)n1 ZINC000065393577 472932453 /nfs/dbraw/zinc/93/24/53/472932453.db2.gz WHHYEKYMJQPFSH-UHFFFAOYSA-N 1 0 326.448 2.650 50 0 EFAARO O=C(C[NH2+][C@@H]1COC2(CCCC2)C1)NCCc1cccc(Cl)c1 ZINC000065395784 472932575 /nfs/dbraw/zinc/93/25/75/472932575.db2.gz NPMQRERTNULABW-INIZCTEOSA-N 1 0 336.863 2.690 50 0 EFAARO CCC[NH+](CCC)Cc1ccc(C(=O)NCc2noc(C)n2)cc1 ZINC000065395972 472932766 /nfs/dbraw/zinc/93/27/66/472932766.db2.gz QWUOBSIXZSSETP-UHFFFAOYSA-N 1 0 330.432 2.930 50 0 EFAARO c1ncn(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)C3)cc2)n1 ZINC000065397845 472933952 /nfs/dbraw/zinc/93/39/52/472933952.db2.gz XVMTYNBZIQRRCH-IBGZPJMESA-N 1 0 333.439 2.631 50 0 EFAARO COc1ccccc1-c1ncc(C[N@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)s1 ZINC000065397297 472934062 /nfs/dbraw/zinc/93/40/62/472934062.db2.gz PGSRJGKLNLACMG-OLZOCXBDSA-N 1 0 343.452 2.672 50 0 EFAARO C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(-c3ncc[nH]3)s1)CC2 ZINC000065407365 472935869 /nfs/dbraw/zinc/93/58/69/472935869.db2.gz UXGIISBSZBTRLC-UHFFFAOYSA-N 1 0 330.457 2.696 50 0 EFAARO Cc1[nH+]c(N(C)C)nc(NCc2csc(-c3cnccn3)n2)c1C ZINC000065408095 472935940 /nfs/dbraw/zinc/93/59/40/472935940.db2.gz PXBFPMFPMYANBI-UHFFFAOYSA-N 1 0 341.444 2.685 50 0 EFAARO COc1ccc2c(c1)CC[N@@H+](CCC(=O)NCc1cccs1)C2 ZINC000065408847 472937114 /nfs/dbraw/zinc/93/71/14/472937114.db2.gz RBPYALXVXRWOTB-UHFFFAOYSA-N 1 0 330.453 2.821 50 0 EFAARO CC[C@H](O)Cn1cc(C2=CCN(CC[NH+]3CCCCCC3)CC2)cn1 ZINC000065425413 472939782 /nfs/dbraw/zinc/93/97/82/472939782.db2.gz NQPPUQLKSFJKNS-FQEVSTJZSA-N 1 0 346.519 2.619 50 0 EFAARO CC(=O)N(C)c1ccc(NC(=O)C[NH2+]CCc2cccs2)cc1 ZINC000065433084 472941051 /nfs/dbraw/zinc/94/10/51/472941051.db2.gz ZXUTZCRNDYSRGY-UHFFFAOYSA-N 1 0 331.441 2.502 50 0 EFAARO O=C(NCC[NH+]1CCCCCC1)C1(c2ccc(F)cc2)CCOCC1 ZINC000065434401 472941756 /nfs/dbraw/zinc/94/17/56/472941756.db2.gz QITPDYQQDWCFHK-UHFFFAOYSA-N 1 0 348.462 2.866 50 0 EFAARO C[C@@H]([NH2+]CCC(=O)Nc1cccnc1)c1cnn(-c2ccccc2)c1 ZINC000065432274 472942303 /nfs/dbraw/zinc/94/23/03/472942303.db2.gz IBLRMOHNLRETPH-OAHLLOKOSA-N 1 0 335.411 2.947 50 0 EFAARO Cc1cc(NC[C@@]2([NH+](C)C)CCSC2)nc(-c2cccnc2)n1 ZINC000065460456 472947016 /nfs/dbraw/zinc/94/70/16/472947016.db2.gz KTLOVWZJONPTMC-KRWDZBQOSA-N 1 0 329.473 2.696 50 0 EFAARO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000065462202 472947166 /nfs/dbraw/zinc/94/71/66/472947166.db2.gz WPJKMRMDIAWNDN-ZDUSSCGKSA-N 1 0 346.475 2.649 50 0 EFAARO O=c1c2c3c(sc2ncn1CCCCc1ccccn1)C[NH2+]CC3 ZINC000065463701 472948004 /nfs/dbraw/zinc/94/80/04/472948004.db2.gz YYCGMHMWUHCMTA-UHFFFAOYSA-N 1 0 340.452 2.522 50 0 EFAARO COc1cccc([C@H](O)C[NH+]2CCN(c3cccc(OC)c3)CC2)c1 ZINC000049420892 472949069 /nfs/dbraw/zinc/94/90/69/472949069.db2.gz ATPVJQLPSKQNKJ-HXUWFJFHSA-N 1 0 342.439 2.559 50 0 EFAARO CC(=O)N1CCC([NH+]2CCC([C@H](O)CCc3ccccc3)CC2)CC1 ZINC000065491176 472954636 /nfs/dbraw/zinc/95/46/36/472954636.db2.gz HXCIYYWVCQFPFW-OAQYLSRUSA-N 1 0 344.499 2.703 50 0 EFAARO CC(=O)c1[nH]c(C)c(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)c1C ZINC000065493489 472955321 /nfs/dbraw/zinc/95/53/21/472955321.db2.gz XBEYOPKLBOPVRN-UHFFFAOYSA-N 1 0 340.427 2.582 50 0 EFAARO OCCn1cc(C2=CC[N@H+](CCOc3ccc(Cl)cc3)CC2)cn1 ZINC000065494438 472955736 /nfs/dbraw/zinc/95/57/36/472955736.db2.gz WEWQDCVAEAOWLS-UHFFFAOYSA-N 1 0 347.846 2.697 50 0 EFAARO CCn1c(=O)[nH]nc1C1CC[NH+](CC[C@H](C)c2ccc(C)o2)CC1 ZINC000065493646 472955751 /nfs/dbraw/zinc/95/57/51/472955751.db2.gz WWPOBMDFNKIDKU-ZDUSSCGKSA-N 1 0 332.448 2.866 50 0 EFAARO CCN(C(=O)CCN1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000065493634 472956200 /nfs/dbraw/zinc/95/62/00/472956200.db2.gz ZJUVSNJQEGWJJV-UHFFFAOYSA-N 1 0 329.488 2.990 50 0 EFAARO C[NH+]1CCN(Cc2ccc(-c3ccc(-c4cc[nH]n4)cc3)nc2)CC1 ZINC000065507860 472959629 /nfs/dbraw/zinc/95/96/29/472959629.db2.gz RFVNGISOJSUBKN-UHFFFAOYSA-N 1 0 333.439 2.886 50 0 EFAARO C[C@@H]1CCCN(C(=O)CC[NH+]2CCC(CCn3cccn3)CC2)C1 ZINC000065530649 472968571 /nfs/dbraw/zinc/96/85/71/472968571.db2.gz JYGCQOGXOSEYPK-QGZVFWFLSA-N 1 0 332.492 2.634 50 0 EFAARO CC[NH+](CC)[C@H](CNC(=O)CCC(=O)NC1CCCC1)c1ccco1 ZINC000123520693 473152199 /nfs/dbraw/zinc/15/21/99/473152199.db2.gz DBGRPLCXAIABCJ-MRXNPFEDSA-N 1 0 349.475 2.618 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1csc(N2CCCC2)n1 ZINC000095375353 473193396 /nfs/dbraw/zinc/19/33/96/473193396.db2.gz NGFSQSPFGDBOEY-OAHLLOKOSA-N 1 0 336.505 2.624 50 0 EFAARO O=C(CCc1ccc2c(c1)CCO2)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613707 473567199 /nfs/dbraw/zinc/56/71/99/473567199.db2.gz UHDLBSVWLKMWNJ-MOPGFXCFSA-N 1 0 342.483 2.935 50 0 EFAARO CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCC[NH+](CC)CC ZINC000170623947 473567414 /nfs/dbraw/zinc/56/74/14/473567414.db2.gz CZFMTDWDMHNEAQ-UHFFFAOYSA-N 1 0 348.896 2.667 50 0 EFAARO Cc1noc(C)c1CN1CC[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000263618051 473786832 /nfs/dbraw/zinc/78/68/32/473786832.db2.gz QZWJXZOSQIFTGW-OAHLLOKOSA-N 1 0 347.846 2.878 50 0 EFAARO O=C(NC[C@H]1CCCO1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000263677915 473803656 /nfs/dbraw/zinc/80/36/56/473803656.db2.gz IIMXTDPTWSCXGW-LJQANCHMSA-N 1 0 345.487 2.516 50 0 EFAARO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1F ZINC000215242137 474138214 /nfs/dbraw/zinc/13/82/14/474138214.db2.gz PCILFQRKRLTCMV-GXTWGEPZSA-N 1 0 338.398 2.968 50 0 EFAARO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(C)(C)N1CCOCC1 ZINC000216328648 474141005 /nfs/dbraw/zinc/14/10/05/474141005.db2.gz NJCCYVMCVUTWHU-GOSISDBHSA-N 1 0 342.487 2.821 50 0 EFAARO CSc1nc(C(=O)NC[C@H]2CCCN(c3ccccn3)C2)cs1 ZINC000219702256 474147592 /nfs/dbraw/zinc/14/75/92/474147592.db2.gz LQDLNDMMTPAUAJ-GFCCVEGCSA-N 1 0 348.497 2.906 50 0 EFAARO Cc1ccc(-c2ccccc2C[N@@H+]2CCCN(S(C)(=O)=O)CC2)o1 ZINC000219963341 474150170 /nfs/dbraw/zinc/15/01/70/474150170.db2.gz BHAXRFNQTXYEMK-UHFFFAOYSA-N 1 0 348.468 2.722 50 0 EFAARO Cc1nn2cc(CNC(=O)C3([NH+]4CCCC4)CCCCC3)nc2s1 ZINC000219902893 474151078 /nfs/dbraw/zinc/15/10/78/474151078.db2.gz WJSPTEBFSVVEOC-UHFFFAOYSA-N 1 0 347.488 2.514 50 0 EFAARO CSc1nc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cs1 ZINC000220001084 474152133 /nfs/dbraw/zinc/15/21/33/474152133.db2.gz GYVGHOYHIPYNDV-UHFFFAOYSA-N 1 0 325.503 2.956 50 0 EFAARO Cc1cc(C)c(OCCNc2cc(C3CC([NH3+])C3)nc(N)n2)c(C)c1 ZINC000220442598 474154106 /nfs/dbraw/zinc/15/41/06/474154106.db2.gz SGYICHJVIMMRDC-UHFFFAOYSA-N 1 0 341.459 2.680 50 0 EFAARO Nc1nc(C2CC([NH3+])C2)cc(N2CCC(Cc3ccccc3)CC2)n1 ZINC000220725928 474158628 /nfs/dbraw/zinc/15/86/28/474158628.db2.gz PBUGJCPIZOUKFZ-UHFFFAOYSA-N 1 0 337.471 2.723 50 0 EFAARO O[C@H]1C[C@@H]([C@@H]([NH2+]C2CCN(Cc3ccco3)CC2)c2ccccn2)C1 ZINC000222243180 474165962 /nfs/dbraw/zinc/16/59/62/474165962.db2.gz HQEAAVRBEVLGEJ-WRWLIDTKSA-N 1 0 341.455 2.741 50 0 EFAARO Cc1ccc2[nH]c(CCCNC(=O)[C@H]3CCC[C@@H](O)C3)nc2c1C ZINC000222625897 474170617 /nfs/dbraw/zinc/17/06/17/474170617.db2.gz UZNYAFCORPERNB-LSDHHAIUSA-N 1 0 329.444 2.780 50 0 EFAARO COc1ccc(F)c(CN2CCC(CO)(C[NH+]3CCCC3)CC2)c1 ZINC000222662007 474172424 /nfs/dbraw/zinc/17/24/24/474172424.db2.gz FQPPOZYJBLDEID-UHFFFAOYSA-N 1 0 336.451 2.505 50 0 EFAARO OCCN1CC[NH+](C[C@@H]2CC2(c2ccccc2)c2ccccc2)CC1 ZINC000222726931 474173239 /nfs/dbraw/zinc/17/32/39/474173239.db2.gz YAOINPOZZMLBID-NRFANRHFSA-N 1 0 336.479 2.603 50 0 EFAARO CCCn1cc(CN2CC[NH+](CCc3ccccc3)CC2)c(C)n1 ZINC000222757962 474174022 /nfs/dbraw/zinc/17/40/22/474174022.db2.gz QBPWPCUECDVQAA-UHFFFAOYSA-N 1 0 326.488 2.962 50 0 EFAARO C[NH+]1CCC(OCCCNC(=O)c2ccc(OC(F)F)cc2)CC1 ZINC000223608782 474187189 /nfs/dbraw/zinc/18/71/89/474187189.db2.gz UQBHHUOXYOBFBE-UHFFFAOYSA-N 1 0 342.386 2.519 50 0 EFAARO COc1cccc(OCC(=O)NC[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000223821639 474190198 /nfs/dbraw/zinc/19/01/98/474190198.db2.gz JLHIFIQZHHSCSN-MRXNPFEDSA-N 1 0 346.471 2.845 50 0 EFAARO Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000223749476 474190834 /nfs/dbraw/zinc/19/08/34/474190834.db2.gz ZVANCRJVYFEMSU-IBGZPJMESA-N 1 0 340.471 2.740 50 0 EFAARO Cc1cc(C)cc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CC[C@@H](O)CC3)C2)c1 ZINC000247883209 474220967 /nfs/dbraw/zinc/22/09/67/474220967.db2.gz CPBFJNNGQDMOAF-RLLQIKCJSA-N 1 0 344.499 2.793 50 0 EFAARO Cc1cc(=O)oc2cc(OC[C@@H](O)C[N@H+]3CCCC[C@H]3C)ccc12 ZINC000238901111 474543113 /nfs/dbraw/zinc/54/31/13/474543113.db2.gz KYKUPUDMOQVOCQ-CABCVRRESA-N 1 0 331.412 2.716 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000239338755 474544972 /nfs/dbraw/zinc/54/49/72/474544972.db2.gz LEFMFIUYTZNGGI-XYPHTWIQSA-N 1 0 330.428 2.886 50 0 EFAARO Cc1nnc([C@H]2CCC[N@H+](Cc3cncn3Cc3ccccc3)C2)[nH]1 ZINC000244724473 474564839 /nfs/dbraw/zinc/56/48/39/474564839.db2.gz MUVSYXPRIZLVJP-KRWDZBQOSA-N 1 0 336.443 2.738 50 0 EFAARO O[C@H]1C[C@@H]([C@H](NC2CC[NH+](C3CCCC3)CC2)c2ccccn2)C1 ZINC000244758120 474566918 /nfs/dbraw/zinc/56/69/18/474566918.db2.gz OSSOFUOOSBUHSI-CVAIRZPRSA-N 1 0 329.488 2.890 50 0 EFAARO Cc1cc2nc(CCNC(=O)CC[N@@H+]3C[C@@H]4CC[C@H]3C4)[nH]c2cc1C ZINC000244873268 474568906 /nfs/dbraw/zinc/56/89/06/474568906.db2.gz WMWRLRSPJJWWNM-CVEARBPZSA-N 1 0 340.471 2.713 50 0 EFAARO Cc1[nH]c2ccccc2c(=O)c1CCC(=O)NCC[C@H]1CCC[N@H+]1C ZINC000252480458 474664994 /nfs/dbraw/zinc/66/49/94/474664994.db2.gz CAOBCKSFEAIWOT-OAHLLOKOSA-N 1 0 341.455 2.782 50 0 EFAARO CCn1ccnc1[C@@H]1CCCN(CC(=O)Nc2ccc(OC)cc2)C1 ZINC000252486682 474673215 /nfs/dbraw/zinc/67/32/15/474673215.db2.gz HONJUZOEQZLIPL-OAHLLOKOSA-N 1 0 342.443 2.730 50 0 EFAARO CN(Cc1cc(-c2ccccn2)no1)C(=O)C[NH+]1CCCCCCC1 ZINC000252486408 474673969 /nfs/dbraw/zinc/67/39/69/474673969.db2.gz HLAAHQVJXGWRNT-UHFFFAOYSA-N 1 0 342.443 2.961 50 0 EFAARO CCc1nnc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccccn2)s1 ZINC000252490549 474677070 /nfs/dbraw/zinc/67/70/70/474677070.db2.gz KWUPOKWODHICQQ-ZDUSSCGKSA-N 1 0 331.445 2.661 50 0 EFAARO COc1ccccc1OCCC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000252495623 474679241 /nfs/dbraw/zinc/67/92/41/474679241.db2.gz OUQCZMAIBKQGEA-UHFFFAOYSA-N 1 0 346.471 2.799 50 0 EFAARO COc1ccc(C2(C(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)CC2)cc1 ZINC000252507733 474685400 /nfs/dbraw/zinc/68/54/00/474685400.db2.gz WTFQITVOUSSLFB-HNNXBMFYSA-N 1 0 328.456 2.812 50 0 EFAARO COc1ccc(C2(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)CC2)cc1 ZINC000252507734 474685757 /nfs/dbraw/zinc/68/57/57/474685757.db2.gz WTFQITVOUSSLFB-OAHLLOKOSA-N 1 0 328.456 2.812 50 0 EFAARO c1c(CN2CC[NH+](C3CCSCC3)CC2)onc1-c1cccnc1 ZINC000252509588 474686890 /nfs/dbraw/zinc/68/68/90/474686890.db2.gz YQUKYWGSASIHAK-UHFFFAOYSA-N 1 0 344.484 2.750 50 0 EFAARO O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000253472175 474760195 /nfs/dbraw/zinc/76/01/95/474760195.db2.gz JXXNYXDIPPOBTQ-CYBMUJFWSA-N 1 0 337.301 2.789 50 0 EFAARO Cc1nnc(CN2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)s1 ZINC000299774621 476153221 /nfs/dbraw/zinc/15/32/21/476153221.db2.gz IGYJURVMHQIBCZ-UHFFFAOYSA-N 1 0 332.517 2.789 50 0 EFAARO CCCc1ncncc1C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000299770132 476153374 /nfs/dbraw/zinc/15/33/74/476153374.db2.gz LUNNASXCNICHPQ-UHFFFAOYSA-N 1 0 330.476 2.814 50 0 EFAARO Cc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cnc(C)cn2)c1 ZINC000299770751 476153518 /nfs/dbraw/zinc/15/35/18/476153518.db2.gz MIZHAAOZAGOLKO-IBGZPJMESA-N 1 0 338.455 2.764 50 0 EFAARO Cc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cnc(C)cn2)c1 ZINC000299770754 476153575 /nfs/dbraw/zinc/15/35/75/476153575.db2.gz MIZHAAOZAGOLKO-LJQANCHMSA-N 1 0 338.455 2.764 50 0 EFAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCn1cccn1 ZINC000362529212 476297968 /nfs/dbraw/zinc/29/79/68/476297968.db2.gz FLYAMCRREZUGPM-IBGZPJMESA-N 1 0 340.471 2.644 50 0 EFAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCn1cccn1 ZINC000362529213 476298185 /nfs/dbraw/zinc/29/81/85/476298185.db2.gz FLYAMCRREZUGPM-LJQANCHMSA-N 1 0 340.471 2.644 50 0 EFAARO O=C(C[C@H]1CCOC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000362696983 476354090 /nfs/dbraw/zinc/35/40/90/476354090.db2.gz GWUZVFZEAMUUBR-OAHLLOKOSA-N 1 0 336.863 2.847 50 0 EFAARO CC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000413818980 476746232 /nfs/dbraw/zinc/74/62/32/476746232.db2.gz POINIJVSQUVNBY-AWEZNQCLSA-N 1 0 329.366 2.941 50 0 EFAARO CCc1ncc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)cn1 ZINC000426523478 477714042 /nfs/dbraw/zinc/71/40/42/477714042.db2.gz NCDJPVMFOCSANO-WSTZPKSXSA-N 1 0 345.487 2.978 50 0 EFAARO C[NH2+]Cc1nnc(SCc2cccc(C(F)(F)F)c2F)n1C ZINC000426526833 477714160 /nfs/dbraw/zinc/71/41/60/477714160.db2.gz FYKFVACDJOHFLE-UHFFFAOYSA-N 1 0 334.342 2.985 50 0 EFAARO CC[NH+](CC)CCCNC(=O)N(C)Cc1cnc2ccccc2n1 ZINC000426544647 477718435 /nfs/dbraw/zinc/71/84/35/477718435.db2.gz DSZILGJZAZISHI-UHFFFAOYSA-N 1 0 329.448 2.503 50 0 EFAARO CN(Cc1ccc2nsnc2c1)C(=O)NCC[C@@H]1CCCC[N@@H+]1C ZINC000426618391 477727606 /nfs/dbraw/zinc/72/76/06/477727606.db2.gz TUIKAHLKMOIEHQ-AWEZNQCLSA-N 1 0 347.488 2.707 50 0 EFAARO Cc1cncnc1C1CCN(C(=O)CCC2CC[NH+](C)CC2)CC1 ZINC000426641555 477730647 /nfs/dbraw/zinc/73/06/47/477730647.db2.gz OMLASMFHMSIYOR-UHFFFAOYSA-N 1 0 330.476 2.613 50 0 EFAARO O=C(N[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1O)c1ccccc1 ZINC000426658627 477733808 /nfs/dbraw/zinc/73/38/08/477733808.db2.gz ZWUZDQFQTCIMPD-WOJBJXKFSA-N 1 0 349.434 2.533 50 0 EFAARO COc1ccc(C2(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)CCCC2)cc1 ZINC000426658547 477734423 /nfs/dbraw/zinc/73/44/23/477734423.db2.gz TZTSSVOERHWHCQ-QGZVFWFLSA-N 1 0 345.487 2.853 50 0 EFAARO COCCCSc1nnc(C2CC[NH2+]CC2)n1Cc1ccccc1 ZINC000426662365 477734603 /nfs/dbraw/zinc/73/46/03/477734603.db2.gz VHQSYYSDUHZFDU-UHFFFAOYSA-N 1 0 346.500 2.922 50 0 EFAARO CN(CCSc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000534586976 478160724 /nfs/dbraw/zinc/16/07/24/478160724.db2.gz GDPIIUXVAXDZKP-OAHLLOKOSA-N 1 0 333.501 2.904 50 0 EFAARO COC1CCN(C(=O)NC[C@H](c2ccccc2F)[NH+]2CCCC2)CC1 ZINC000534587277 478161406 /nfs/dbraw/zinc/16/14/06/478161406.db2.gz KMFLKBYSMXEELP-GOSISDBHSA-N 1 0 349.450 2.783 50 0 EFAARO CN(Cc1ccc2nsnc2c1)C(=O)NCCCC[NH+]1CCCC1 ZINC000534588978 478161457 /nfs/dbraw/zinc/16/14/57/478161457.db2.gz FMERYXGXXLEZKX-UHFFFAOYSA-N 1 0 347.488 2.709 50 0 EFAARO C[C@H](c1ccncn1)N(C)C(=O)NC(C)(C)C[NH+]1CCCCCC1 ZINC000534592823 478161893 /nfs/dbraw/zinc/16/18/93/478161893.db2.gz KVHLTGGCGPMLQU-OAHLLOKOSA-N 1 0 333.480 2.834 50 0 EFAARO CC[C@@H](NC(=O)N(C)Cc1ccccc1C[NH+](C)C)c1ccnn1C ZINC000534639147 478164883 /nfs/dbraw/zinc/16/48/83/478164883.db2.gz IUKMUNJHTAZHBH-QGZVFWFLSA-N 1 0 343.475 2.774 50 0 EFAARO COCCN(Cc1ccc(C)s1)C(=O)NCC(C)(C)[NH+](C)C ZINC000534636912 478164939 /nfs/dbraw/zinc/16/49/39/478164939.db2.gz GPMMFKFEHXIHFX-UHFFFAOYSA-N 1 0 327.494 2.555 50 0 EFAARO CCN(Cc1nc(C)no1)C(=O)NC[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000534637027 478165040 /nfs/dbraw/zinc/16/50/40/478165040.db2.gz GZFPXJFDEPFUPU-INIZCTEOSA-N 1 0 345.447 2.521 50 0 EFAARO COCCN(Cc1ccccc1Cl)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000534646613 478165785 /nfs/dbraw/zinc/16/57/85/478165785.db2.gz SHYZMNDRFRDMFY-HNNXBMFYSA-N 1 0 339.867 2.592 50 0 EFAARO Cc1ccc2[nH]c(CN(C)C(=O)NC3CC[NH+](C(C)C)CC3)nc2c1 ZINC000534649306 478166155 /nfs/dbraw/zinc/16/61/55/478166155.db2.gz ZHUJFQPBAVPUPA-UHFFFAOYSA-N 1 0 343.475 2.886 50 0 EFAARO O=C(CCCc1cn[nH]c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000534654496 478166481 /nfs/dbraw/zinc/16/64/81/478166481.db2.gz AZBFXLRMCVXIQI-UHFFFAOYSA-N 1 0 340.471 2.556 50 0 EFAARO CCCC[NH+]1CCN(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000534663268 478166744 /nfs/dbraw/zinc/16/67/44/478166744.db2.gz HVRRIYALRGFZKY-HNNXBMFYSA-N 1 0 349.475 2.892 50 0 EFAARO CN(C(=O)NCCc1ccc(Cl)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000534658917 478167389 /nfs/dbraw/zinc/16/73/89/478167389.db2.gz HZTHSHVINDBSQH-CYBMUJFWSA-N 1 0 330.259 2.881 50 0 EFAARO Cc1ccccc1[C@@H](CNC(=O)N(C)CCCn1cccn1)[NH+](C)C ZINC000534660338 478167441 /nfs/dbraw/zinc/16/74/41/478167441.db2.gz NKZUDBMZYQPLOU-GOSISDBHSA-N 1 0 343.475 2.526 50 0 EFAARO COCC[N@@H+]1CCC[C@@H](CN(C)C(=O)NCc2ccc(C)cc2C)C1 ZINC000534660283 478167617 /nfs/dbraw/zinc/16/76/17/478167617.db2.gz INUBOJVLTLSBGT-SFHVURJKSA-N 1 0 347.503 2.803 50 0 EFAARO CN(CC[C@@H](O)c1ccccc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000534671596 478168518 /nfs/dbraw/zinc/16/85/18/478168518.db2.gz QLWGJBPGHQMISL-GOSISDBHSA-N 1 0 333.476 2.628 50 0 EFAARO CC[N@H+](C)C[C@@H](C)CNC(=O)N(C)CCc1nc2c(cccc2C)[nH]1 ZINC000534670113 478168595 /nfs/dbraw/zinc/16/85/95/478168595.db2.gz AUAHWEJYCNZYFN-AWEZNQCLSA-N 1 0 345.491 2.643 50 0 EFAARO CSc1ncc(C(=O)NC[C@H](c2ccccc2C)[NH+](C)C)cn1 ZINC000534667896 478168837 /nfs/dbraw/zinc/16/88/37/478168837.db2.gz DZDAGYKQVOZNJM-OAHLLOKOSA-N 1 0 330.457 2.540 50 0 EFAARO O=C(CCc1cc(Cl)no1)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000503908698 478848648 /nfs/dbraw/zinc/84/86/48/478848648.db2.gz NPMQPPQFHYFFTO-JSGCOSHPSA-N 1 0 325.840 2.641 50 0 EFAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCC2)C1)N(CCO)Cc1ccccc1 ZINC000584887684 479270579 /nfs/dbraw/zinc/27/05/79/479270579.db2.gz RUHPXFZVORXSRS-GOSISDBHSA-N 1 0 345.487 2.598 50 0 EFAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000584887744 479271379 /nfs/dbraw/zinc/27/13/79/479271379.db2.gz UXXKTKCMMASHSB-AWEZNQCLSA-N 1 0 345.399 2.671 50 0 EFAARO Cc1ccn(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000584892285 479272643 /nfs/dbraw/zinc/27/26/43/479272643.db2.gz VMNDJYIKDMXZRV-LJQANCHMSA-N 1 0 340.471 2.925 50 0 EFAARO Cc1cc(-c2cccc(C(=O)N(C)CC[NH+](C)C)c2)cn2ccnc12 ZINC000584895230 479274672 /nfs/dbraw/zinc/27/46/72/479274672.db2.gz RAZMHZDCBOWUKH-UHFFFAOYSA-N 1 0 336.439 2.943 50 0 EFAARO CCOc1ccc(CCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000584901120 479276409 /nfs/dbraw/zinc/27/64/09/479276409.db2.gz OTLUBNNUHPUAGD-QGZVFWFLSA-N 1 0 331.460 2.508 50 0 EFAARO CC1(C(=O)N2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)COC1 ZINC000584902971 479276650 /nfs/dbraw/zinc/27/66/50/479276650.db2.gz MTEOAURXEUWZFY-OAQYLSRUSA-N 1 0 342.483 2.928 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(OC)ccn2)cc1 ZINC000584900567 479277129 /nfs/dbraw/zinc/27/71/29/479277129.db2.gz UGLDDGBKQOYHGN-KRWDZBQOSA-N 1 0 339.439 2.971 50 0 EFAARO CC[N@@H+]1CC[C@H](NC(=O)N(CCCOC)Cc2ccc(C)cc2)C1 ZINC000584902887 479277405 /nfs/dbraw/zinc/27/74/05/479277405.db2.gz FCFQPSBVWHGQOF-SFHVURJKSA-N 1 0 333.476 2.637 50 0 EFAARO CCOC(=O)N1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000584902974 479277446 /nfs/dbraw/zinc/27/74/46/479277446.db2.gz QIXKGMKBJNBIFL-KRWDZBQOSA-N 1 0 332.444 2.555 50 0 EFAARO COc1nsc(CNC2CC[NH+](C(C)C)CC2)c1Br ZINC000585135919 479295112 /nfs/dbraw/zinc/29/51/12/479295112.db2.gz IMFOHBMGBCONDJ-UHFFFAOYSA-N 1 0 348.310 2.877 50 0 EFAARO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000585134711 479295399 /nfs/dbraw/zinc/29/53/99/479295399.db2.gz HFIUYZLJRKOHOU-BETUJISGSA-N 1 0 349.360 2.840 50 0 EFAARO O=C(c1c[nH]nc1-c1ccccc1Cl)N1CCC2(C[NH2+]C2)CC1 ZINC000585136726 479296129 /nfs/dbraw/zinc/29/61/29/479296129.db2.gz QPFHYKRQLOFWSI-UHFFFAOYSA-N 1 0 330.819 2.556 50 0 EFAARO O=c1[nH]c2ccc(C[NH2+][C@@H]3CCN(c4ccc(F)cc4)C3)cc2[nH]1 ZINC000641762326 481056716 /nfs/dbraw/zinc/05/67/16/481056716.db2.gz KYIXOJOIJFBBKG-CQSZACIVSA-N 1 0 326.375 2.776 50 0 EFAARO COCCC[NH2+]CCOCCOc1ccc(Br)cc1C ZINC000003003078 523373285 /nfs/dbraw/zinc/37/32/85/523373285.db2.gz BWVSRRLBJPIYCN-UHFFFAOYSA-N 1 0 346.265 2.779 50 0 EFAARO CC1(C)C[C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)C(C)(C)O1 ZINC000158688115 527742891 /nfs/dbraw/zinc/74/28/91/527742891.db2.gz WXQSGFNNOAQITF-HNNXBMFYSA-N 1 0 325.474 2.786 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cnn3cccnc23)cc1 ZINC000426477778 535567116 /nfs/dbraw/zinc/56/71/16/535567116.db2.gz RZYXOTGKHIBNET-QGZVFWFLSA-N 1 0 349.438 2.610 50 0 EFAARO CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000426370870 535727780 /nfs/dbraw/zinc/72/77/80/535727780.db2.gz XYWGMLXEZYVGBK-GOSISDBHSA-N 1 0 326.444 2.764 50 0 EFAARO CC[C@@H](O)CSc1nnc(C[NH3+])n1-c1cccc(C(F)(F)F)c1 ZINC000426494397 535814318 /nfs/dbraw/zinc/81/43/18/535814318.db2.gz TZJSEBMBEXCUHI-LLVKDONJSA-N 1 0 346.378 2.608 50 0 EFAARO CN(C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000426383997 536032754 /nfs/dbraw/zinc/03/27/54/536032754.db2.gz VRXLDIAVORUCFA-GOSISDBHSA-N 1 0 345.487 2.719 50 0 EFAARO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000215655765 536315345 /nfs/dbraw/zinc/31/53/45/536315345.db2.gz RPBPMMAYFZXJDF-SFHVURJKSA-N 1 0 344.480 2.974 50 0 EFAARO COc1ccc(C(=O)CCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000216040257 536665641 /nfs/dbraw/zinc/66/56/41/536665641.db2.gz VTFZKULIKORKNU-MRXNPFEDSA-N 1 0 332.444 2.601 50 0 EFAARO COc1ccc(C[N@H+](CCn2ccc(C)n2)C[C@@H]2CCCO2)cc1 ZINC000244873476 536857519 /nfs/dbraw/zinc/85/75/19/536857519.db2.gz WRCFUOFBFQZWFD-IBGZPJMESA-N 1 0 329.444 2.881 50 0 EFAARO COc1cccc(-n2c(C[NH3+])nnc2SCC[C@@H]2CC2(F)F)c1 ZINC000426358249 537071715 /nfs/dbraw/zinc/07/17/15/537071715.db2.gz GSSJZBYNECXHKW-SNVBAGLBSA-N 1 0 340.399 2.872 50 0 EFAARO Cc1ccc(-n2cccn2)c(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000216239216 545559406 /nfs/dbraw/zinc/55/94/06/545559406.db2.gz QVQZJICKIBSQQO-IBGZPJMESA-N 1 0 342.487 2.723 50 0 EFAARO COc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)cn1 ZINC000670437784 547489201 /nfs/dbraw/zinc/48/92/01/547489201.db2.gz RLJVZZRPKLEIRC-QGZVFWFLSA-N 1 0 339.439 2.618 50 0 EFAARO Cc1cc(S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c(C)s1 ZINC000670436513 547489233 /nfs/dbraw/zinc/48/92/33/547489233.db2.gz GPHDICFHGMPLEM-AWEZNQCLSA-N 1 0 330.519 2.764 50 0 EFAARO Cc1nccn1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670443408 547490747 /nfs/dbraw/zinc/49/07/47/547490747.db2.gz XWPULTNRYZRHSP-LJQANCHMSA-N 1 0 340.471 2.925 50 0 EFAARO CCOC(=O)N1CCC([N@@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000670453836 547492522 /nfs/dbraw/zinc/49/25/22/547492522.db2.gz AGSKYOIQOJVNBV-UHFFFAOYSA-N 1 0 331.460 2.820 50 0 EFAARO O=c1cc([C@H]2CCC[N@H+](Cc3cc(-c4ccccn4)no3)C2)nc[nH]1 ZINC000670457230 547493402 /nfs/dbraw/zinc/49/34/02/547493402.db2.gz YFYVZQUQAMRIPW-ZDUSSCGKSA-N 1 0 337.383 2.612 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3cc[nH]n3)C1)OCCCO2 ZINC000670465590 547493849 /nfs/dbraw/zinc/49/38/49/547493849.db2.gz SHSUAVVCCIPDSG-AWEZNQCLSA-N 1 0 343.427 2.959 50 0 EFAARO COC1(OC)CCOC[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000685943046 550197236 /nfs/dbraw/zinc/19/72/36/550197236.db2.gz 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Cc1ccccc1OC[C@H](O)C(=O)NCCCC[NH+]1CCCCCC1 ZINC000827627155 1267455201 /nfs/dbraw/zinc/45/52/01/1267455201.db2.gz KCDQBWPMFAPXFM-SFHVURJKSA-N 1 0 348.487 2.507 50 0 EFAARO O=C(CCN1CCCCCC1=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000827939091 1267532414 /nfs/dbraw/zinc/53/24/14/1267532414.db2.gz KVBNSUYNZDFMDU-UHFFFAOYSA-N 1 0 349.519 2.646 50 0 EFAARO O=C(NCc1ccc2c(c1)CCO2)c1ccc(C[NH+]2CCCC2)o1 ZINC000828166303 1267624063 /nfs/dbraw/zinc/62/40/63/1267624063.db2.gz ACBGUFZBPOFCAF-UHFFFAOYSA-N 1 0 326.396 2.740 50 0 EFAARO O=C1N(Cc2ccccc2F)CCC[C@@]12CC[N@@H+](C1CCOCC1)C2 ZINC000012455793 1268529673 /nfs/dbraw/zinc/52/96/73/1268529673.db2.gz DVMAIOHXDBALAS-FQEVSTJZSA-N 1 0 346.446 2.819 50 0 EFAARO Cc1nc2c(c(NCc3nc(C(C)(C)C)cs3)n1)CC[NH2+]CC2 ZINC000065369783 1270957841 /nfs/dbraw/zinc/95/78/41/1270957841.db2.gz PXGBRRKCHPIDMU-UHFFFAOYSA-N 1 0 331.489 2.839 50 0 EFAARO C[N@H+](Cc1ccoc1)C1CCN(c2ccc(-n3cncn3)cc2)CC1 ZINC000200532073 1275465773 /nfs/dbraw/zinc/46/57/73/1275465773.db2.gz FWBSLJCOWYKVQC-UHFFFAOYSA-N 1 0 337.427 2.961 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(COc2ccccc2F)n1 ZINC000012589167 1276559451 /nfs/dbraw/zinc/55/94/51/1276559451.db2.gz CKHLZUNRZDFRKH-CYBMUJFWSA-N 1 0 347.390 2.607 50 0 EFAARO COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCCC[N@@H+]3C)c2c1 ZINC000952869215 1284889909 /nfs/dbraw/zinc/88/99/09/1284889909.db2.gz GJLKDVYBFIADEE-GOSISDBHSA-N 1 0 329.444 2.710 50 0 EFAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)c1cc(C)nc(C)n1 ZINC000952873055 1284898658 /nfs/dbraw/zinc/89/86/58/1284898658.db2.gz FLZAPVVLXOQRFL-UHFFFAOYSA-N 1 0 332.473 2.667 50 0 EFAARO C[N@@H+]1CCCN(CC(=O)N2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000952873942 1284899158 /nfs/dbraw/zinc/89/91/58/1284899158.db2.gz SGEBMSAEJHEBDP-FQEVSTJZSA-N 1 0 343.515 2.638 50 0 EFAARO Cc1nc(N(C)C)ncc1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000952864390 1284909443 /nfs/dbraw/zinc/90/94/43/1284909443.db2.gz YRZATAHOIZYFTR-UHFFFAOYSA-N 1 0 339.443 2.699 50 0 EFAARO CSc1cccc(CN(C(=O)CN2CCC[N@H+](C)CC2)C(C)C)c1 ZINC000952865955 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2.642 50 0 EFAARO CC1=C(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)OCCO1 ZINC000952977005 1284952082 /nfs/dbraw/zinc/95/20/82/1284952082.db2.gz ZCYGFIJZJCWYHR-SFHVURJKSA-N 1 0 344.455 2.998 50 0 EFAARO C[C@H](CCC(=O)Nc1ccc2scnc2c1)[NH+]1CCN(C)CC1 ZINC000952977408 1284952154 /nfs/dbraw/zinc/95/21/54/1284952154.db2.gz JXLKLEVKNFQYQD-CYBMUJFWSA-N 1 0 332.473 2.651 50 0 EFAARO CCCN1C[C@H]([NH2+]Cc2cc3ccc(SC)cc3[nH]c2=O)CC1=O ZINC000952978836 1284955650 /nfs/dbraw/zinc/95/56/50/1284955650.db2.gz YKJHWBSHCWRTPB-CQSZACIVSA-N 1 0 345.468 2.763 50 0 EFAARO Cc1nc(CNCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)n(C)c1C ZINC000952979648 1284958858 /nfs/dbraw/zinc/95/88/58/1284958858.db2.gz OAHGUBYEPJUFRN-GOSISDBHSA-N 1 0 326.488 2.924 50 0 EFAARO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c(OC)n1 ZINC000952981670 1284977514 /nfs/dbraw/zinc/97/75/14/1284977514.db2.gz NCABFVFLZJTMQS-UHFFFAOYSA-N 1 0 341.411 2.947 50 0 EFAARO O=C(C[NH+]1CCCCCC1)NC[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000952981818 1284977875 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COCC(=O)Nc1ccc(NC(=O)CC[C@H]2CCC[N@H+](C)C2)cc1C ZINC000952990773 1284998238 /nfs/dbraw/zinc/99/82/38/1284998238.db2.gz YTZLDVKJFHFQLP-OAHLLOKOSA-N 1 0 347.459 2.640 50 0 EFAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(-n2cnnn2)cc1 ZINC000047460020 1290264330 /nfs/dbraw/zinc/26/43/30/1290264330.db2.gz KNARAUSALZSUMW-UHFFFAOYSA-N 1 0 348.410 2.510 50 0 EFAARO CSCCc1nc([C@@H](C)n2ccnc2C)n(C2CC[NH+](C)CC2)n1 ZINC000096139971 1292776564 /nfs/dbraw/zinc/77/65/64/1292776564.db2.gz GXOWDVVXBQIOCZ-CYBMUJFWSA-N 1 0 348.520 2.565 50 0 EFAARO CC1(C(=O)N2CCC[N@H+](CCCOCc3ccccc3)CC2)CC1 ZINC001195907340 1294075243 /nfs/dbraw/zinc/07/52/43/1294075243.db2.gz MMNJVSFMAFIKAX-UHFFFAOYSA-N 1 0 330.472 2.928 50 0 EFAARO COc1ccc(OC)c(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1 ZINC000005643562 1302911316 /nfs/dbraw/zinc/91/13/16/1302911316.db2.gz QGLXPPXNGUWOLK-UHFFFAOYSA-N 1 0 334.460 2.688 50 0 EFAARO O=C(NC[C@@H]1CCC[N@@H+](C2CCOCC2)C1)c1cc2ccccc2[nH]1 ZINC000012703841 1307061346 /nfs/dbraw/zinc/06/13/46/1307061346.db2.gz VDBVKKYCSZUTGU-HNNXBMFYSA-N 1 0 341.455 2.789 50 0 EFAARO Cn1cc(C[NH2+]CCc2ccco2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012747646 1307178438 /nfs/dbraw/zinc/17/84/38/1307178438.db2.gz XWECQADFYRFQMQ-UHFFFAOYSA-N 1 0 339.395 2.784 50 0 EFAARO Cc1cccc(N2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)n1 ZINC000019113049 1314393946 /nfs/dbraw/zinc/39/39/46/1314393946.db2.gz WSPKFKQMPLIFIT-UXHICEINSA-N 1 0 337.467 2.905 50 0 EFAARO CC(C)CN1C[C@H](OCc2ccncc2)C[N@@H+](C2CCCC2)CC1=O ZINC000014743391 1311231888 /nfs/dbraw/zinc/23/18/88/1311231888.db2.gz AZKXDABSBVHDAJ-LJQANCHMSA-N 1 0 345.487 2.710 50 0 EFAARO CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CC1CC1)C3 ZINC000014878607 1311337140 /nfs/dbraw/zinc/33/71/40/1311337140.db2.gz OBZKTWRSCKSHDJ-ZDUSSCGKSA-N 1 0 331.485 2.971 50 0 EFAARO CC(C)(C)CN1CCC[C@@](O)(C[NH2+]Cc2ccc(Cl)s2)C1=O ZINC000014966209 1311408689 /nfs/dbraw/zinc/40/86/89/1311408689.db2.gz OUWOITNGIIJETO-MRXNPFEDSA-N 1 0 344.908 2.891 50 0 EFAARO COc1ccc2c(c1)C[C@H]([N@H+]1CCC(=O)N(CC(C)C)CC1)CC2 ZINC000014962922 1311408944 /nfs/dbraw/zinc/40/89/44/1311408944.db2.gz NZYCLHLKBKMQLX-GOSISDBHSA-N 1 0 330.472 2.743 50 0 EFAARO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)C1CCOCC1 ZINC000015079480 1311471276 /nfs/dbraw/zinc/47/12/76/1311471276.db2.gz YHVXKLLFVOZRLT-LJQANCHMSA-N 1 0 330.472 2.626 50 0 EFAARO OCC[C@H]1CN(Cc2ccoc2)CC[N@@H+]1CCCc1ccccc1 ZINC000019791487 1314540506 /nfs/dbraw/zinc/54/05/06/1314540506.db2.gz OJQJOKUPURBAFN-FQEVSTJZSA-N 1 0 328.456 2.781 50 0 EFAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCc2cccs2)c(=O)[nH]1 ZINC000020453102 1314668545 /nfs/dbraw/zinc/66/85/45/1314668545.db2.gz ODRZPPVMTBEWOY-ZDUSSCGKSA-N 1 0 345.468 2.741 50 0 EFAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1C ZINC000020996434 1314755470 /nfs/dbraw/zinc/75/54/70/1314755470.db2.gz JUCFLXFQKVHNEJ-KRWDZBQOSA-N 1 0 326.444 2.805 50 0 EFAARO CC1=C(c2ccccc2)[C@H]1C(=O)Nc1nnc(CC[NH+](C)C)s1 ZINC001506397616 1405749641 /nfs/dbraw/zinc/74/96/41/1405749641.db2.gz FHZMREDKCVJNCS-HNNXBMFYSA-N 1 0 328.441 2.684 50 0 EFAARO CC1=C(c2ccccc2)[C@@H]1C(=O)Nc1nnc(CC[NH+](C)C)s1 ZINC001506397623 1405750210 /nfs/dbraw/zinc/75/02/10/1405750210.db2.gz FHZMREDKCVJNCS-OAHLLOKOSA-N 1 0 328.441 2.684 50 0 EFAARO Cc1ccc([C@@H](C)CC[N@H+]2CCC(=O)N(Cc3nc(C)no3)CC2)o1 ZINC001506401504 1405751591 /nfs/dbraw/zinc/75/15/91/1405751591.db2.gz SFCNFGNXODAJHV-ZDUSSCGKSA-N 1 0 346.431 2.508 50 0 EFAARO c1ccc2c(c1)ncnc2N1CC[NH+](C2CSCCSC2)CC1 ZINC001506403831 1405752521 /nfs/dbraw/zinc/75/25/21/1405752521.db2.gz UPVYZUPJRYHZJW-UHFFFAOYSA-N 1 0 346.525 2.600 50 0 EFAARO Cc1cccc(NC(=O)CC(=O)N(C)CC[N@H+](C)C2CCCC2)c1 ZINC001506404924 1405753099 /nfs/dbraw/zinc/75/30/99/1405753099.db2.gz JVVQRPJHBRXFQB-UHFFFAOYSA-N 1 0 331.460 2.656 50 0 EFAARO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2F)CC1 ZINC001506407325 1405753596 /nfs/dbraw/zinc/75/35/96/1405753596.db2.gz QPLQWSLUWBSEDU-CQSZACIVSA-N 1 0 348.871 2.725 50 0 EFAARO Oc1cccc(CN2CCC([NH2+]C3CSCCSC3)CC2)c1 ZINC001506409400 1405754941 /nfs/dbraw/zinc/75/49/41/1405754941.db2.gz ZLGIDLIAEZGZMR-UHFFFAOYSA-N 1 0 338.542 2.795 50 0 EFAARO O=C(c1cccc(=O)[nH]1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC001506407828 1405754975 /nfs/dbraw/zinc/75/49/75/1405754975.db2.gz KBDOXKPAYJSMGR-UHFFFAOYSA-N 1 0 341.455 2.514 50 0 EFAARO Cc1ccc(N2CCC([NH2+][C@H]3CCC(=O)N(C)C3)CC2)cc1Cl ZINC001506411699 1405756910 /nfs/dbraw/zinc/75/69/10/1405756910.db2.gz KBVNSQNNVHAGLA-HNNXBMFYSA-N 1 0 335.879 2.828 50 0 EFAARO CO[C@H](C[NH2+]C1CCN(C(=O)c2ccncc2)CC1)c1cccs1 ZINC001506414045 1405759144 /nfs/dbraw/zinc/75/91/44/1405759144.db2.gz BRDXCHAHVURYRB-MRXNPFEDSA-N 1 0 345.468 2.725 50 0 EFAARO Cc1nc(C)n(CCC[NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)n1 ZINC001506415513 1405759170 /nfs/dbraw/zinc/75/91/70/1405759170.db2.gz CXSKIPUUWXITGY-UHFFFAOYSA-N 1 0 349.429 2.822 50 0 EFAARO CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC2(COC(=O)O2)CC1 ZINC001506418272 1405759809 /nfs/dbraw/zinc/75/98/09/1405759809.db2.gz GVIIEJLFABLTNW-HNNXBMFYSA-N 1 0 332.400 2.714 50 0 EFAARO Cn1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCc2cccs2)n1 ZINC001506416493 1405760093 /nfs/dbraw/zinc/76/00/93/1405760093.db2.gz GRHZCMQVWRSBSX-CQSZACIVSA-N 1 0 332.473 2.907 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CC(=O)N(CCO)CC12CC3CC(CC(C3)C1)C2 ZINC001506419417 1405761342 /nfs/dbraw/zinc/76/13/42/1405761342.db2.gz PGRLSVPUMPDTJT-TWJKGYNYSA-N 1 0 348.531 2.898 50 0 EFAARO Cc1nc(C(=O)NC[C@@H]2CCCN(c3cc[nH+]c(C)c3)C2)cs1 ZINC001506422610 1405761908 /nfs/dbraw/zinc/76/19/08/1405761908.db2.gz DIMQXGWHFXCEOB-AWEZNQCLSA-N 1 0 330.457 2.801 50 0 EFAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]Cc1nc(C)cc(C(F)(F)F)n1 ZINC001506421626 1405762178 /nfs/dbraw/zinc/76/21/78/1405762178.db2.gz KJZKHOBYEUFDKD-SNVBAGLBSA-N 1 0 332.370 2.587 50 0 EFAARO COc1ccc(OCCC[NH+]2CCC(Oc3ncccn3)CC2)cc1 ZINC001506430439 1405767238 /nfs/dbraw/zinc/76/72/38/1405767238.db2.gz ZOIZUOICBNGNMK-UHFFFAOYSA-N 1 0 343.427 2.798 50 0 EFAARO Cc1cc(N2CCC(O)(C[NH+]3CCCC3)CC2)nc2ccccc12 ZINC001506431603 1405767675 /nfs/dbraw/zinc/76/76/75/1405767675.db2.gz QXCIOQYYZGPZOQ-UHFFFAOYSA-N 1 0 325.456 2.970 50 0 EFAARO COc1ccc(F)c(F)c1C[N@H+](C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 ZINC001704298609 1417900920 /nfs/dbraw/zinc/90/09/20/1417900920.db2.gz AJJKQWFUVKKVMG-FRRDWIJNSA-N 1 0 338.398 2.662 50 0 EFAARO CN1CCC[C@]2(CO)CC[N@H+](Cc3ccnc4ccccc34)C[C@@H]12 ZINC001704300833 1417901584 /nfs/dbraw/zinc/90/15/84/1417901584.db2.gz XJXWBOHZUZKDKF-WOJBJXKFSA-N 1 0 325.456 2.513 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)CCc1ccc(Cl)cc1 ZINC001704305590 1417902165 /nfs/dbraw/zinc/90/21/65/1417902165.db2.gz MDNLYCXZVMTWKP-UHFFFAOYSA-N 1 0 348.878 2.895 50 0 EFAARO C[N@@H+]1CCC[C@]2(CO)CCN(c3ncc(Cl)cc3Cl)C[C@@H]12 ZINC001704307549 1417902588 /nfs/dbraw/zinc/90/25/88/1417902588.db2.gz JSQGYWLKVGEYGO-UKRRQHHQSA-N 1 0 330.259 2.671 50 0 EFAARO Cc1nccn1CCC[N@@H+]1CCC[C@@]2(CCc3cnc(C)nc32)C1 ZINC001704313689 1417905099 /nfs/dbraw/zinc/90/50/99/1417905099.db2.gz NEXOGOQCUCAABK-LJQANCHMSA-N 1 0 325.460 2.660 50 0 EFAARO Cc1nc(CN(CC[NH+](C)C)C(=O)C[C@@H]2CCc3ccccc32)c[nH]1 ZINC001704335735 1417909576 /nfs/dbraw/zinc/90/95/76/1417909576.db2.gz DVSIXNBAOZDIEY-KRWDZBQOSA-N 1 0 340.471 2.728 50 0 EFAARO CCc1cnc(N)nc1NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001704335648 1417909647 /nfs/dbraw/zinc/90/96/47/1417909647.db2.gz PQGSPKHILYSSEC-UHFFFAOYSA-N 1 0 325.460 2.697 50 0 EFAARO O[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1Cc1ccccn1 ZINC001704338618 1417911240 /nfs/dbraw/zinc/91/12/40/1417911240.db2.gz VTUFDLZGMBNTEO-YLJYHZDGSA-N 1 0 326.440 2.776 50 0 EFAARO Cn1c2ccccc2cc(C[N@@H+]2CCC[C@]3(CCC[C@H]3O)C2)c1=O ZINC001704339560 1417911431 /nfs/dbraw/zinc/91/14/31/1417911431.db2.gz MIOSCRZAXZZTKR-UYAOXDASSA-N 1 0 326.440 2.666 50 0 EFAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cnn(-c3ccccc3)c1)C2 ZINC001704350982 1417914564 /nfs/dbraw/zinc/91/45/64/1417914564.db2.gz KSMOLXCPMLJRHE-PKOBYXMFSA-N 1 0 338.455 2.705 50 0 EFAARO Cc1nn(C)cc1NC(=O)C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC001704350709 1417914837 /nfs/dbraw/zinc/91/48/37/1417914837.db2.gz PSNYFACRHOJOOV-KRWDZBQOSA-N 1 0 341.459 2.549 50 0 EFAARO Cc1nn(C)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC001704350710 1417914879 /nfs/dbraw/zinc/91/48/79/1417914879.db2.gz PSNYFACRHOJOOV-QGZVFWFLSA-N 1 0 341.459 2.549 50 0 EFAARO Cc1ccn(CCC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)n1 ZINC000014971592 713115878 /nfs/dbraw/zinc/11/58/78/713115878.db2.gz TXYOSHPDDOLVSC-QGZVFWFLSA-N 1 0 332.492 2.885 50 0 EFAARO OCC[C@H]1CN(Cc2cccc3c2OCO3)CC[N@@H+]1C1CCCCC1 ZINC000022932558 715550709 /nfs/dbraw/zinc/55/07/09/715550709.db2.gz GSLCEGXHATUZHB-SFHVURJKSA-N 1 0 346.471 2.617 50 0 EFAARO COCC[NH+]1CCN(Cc2cn(C)nc2-c2cccc(Cl)c2)CC1 ZINC000022932784 715551679 /nfs/dbraw/zinc/55/16/79/715551679.db2.gz OSDKXMBZPQKSJP-UHFFFAOYSA-N 1 0 348.878 2.505 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2ccc3cc(F)ccc3n2)C[C@H]1CCO ZINC000104339944 716097985 /nfs/dbraw/zinc/09/79/85/716097985.db2.gz OEMNORAJYIFWQC-LJQANCHMSA-N 1 0 345.462 2.899 50 0 EFAARO O=C(Cc1ccc2c(c1)CCO2)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000888088559 717200872 /nfs/dbraw/zinc/20/08/72/717200872.db2.gz FYDHJZQUXFYFOR-MSOLQXFVSA-N 1 0 328.456 2.545 50 0 EFAARO CCCc1[nH]c([C@H]2CC(=O)N(CC[NH+](C)C)C2)nc1-c1ccccc1 ZINC000023429168 718182408 /nfs/dbraw/zinc/18/24/08/718182408.db2.gz ILBZZYZOAFVTEC-INIZCTEOSA-N 1 0 340.471 2.907 50 0 EFAARO O=C(c1cccc(F)c1F)N1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000981841350 719108172 /nfs/dbraw/zinc/10/81/72/719108172.db2.gz KXELPDHPMWHOSK-AWEZNQCLSA-N 1 0 338.398 2.539 50 0 EFAARO COc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2)cc1F ZINC000020208637 719446254 /nfs/dbraw/zinc/44/62/54/719446254.db2.gz DORVSXRPFQQOJK-QGZVFWFLSA-N 1 0 329.419 2.984 50 0 EFAARO C[NH+]1CCN([C@@H]2C[C@@H](c3ccccc3)c3cc(CO)ccc3O2)CC1 ZINC000088323319 1106135706 /nfs/dbraw/zinc/13/57/06/1106135706.db2.gz MKFAYIKDBFKAEH-RXVVDRJESA-N 1 0 338.451 2.667 50 0 EFAARO CCOc1ccccc1C(=O)N1CCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC000989586399 1106462371 /nfs/dbraw/zinc/46/23/71/1106462371.db2.gz PWBJUTDZZDGYPK-QGZVFWFLSA-N 1 0 346.471 2.660 50 0 EFAARO c1ccc(CN2CCN(Cc3ccccc3)CC3(CC[NH2+]C3)C2)cc1 ZINC000095698561 1107840025 /nfs/dbraw/zinc/84/00/25/1107840025.db2.gz ZXZSDCUWQQWSAP-UHFFFAOYSA-N 1 0 335.495 2.984 50 0 EFAARO O=S(=O)(c1ccc(Cl)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000004744345 210267837 /nfs/dbraw/zinc/26/78/37/210267837.db2.gz VPKMUJDPUSQDDJ-UHFFFAOYSA-N 1 0 328.865 2.589 50 0 EFAARO C[NH+](C)CC[C@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1ccccc1 ZINC000097619179 219041596 /nfs/dbraw/zinc/04/15/96/219041596.db2.gz HIWHMAYGSKBQKD-KRWDZBQOSA-N 1 0 349.438 2.895 50 0 EFAARO OC1(Cn2ccnc2)CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000097619617 219042204 /nfs/dbraw/zinc/04/22/04/219042204.db2.gz QKJFMBJRBXBGNG-UHFFFAOYSA-N 1 0 339.361 2.929 50 0 EFAARO COc1ccc2[nH]c(C[NH+]3CCC(c4nnc[nH]4)CC3)c(C)c2c1 ZINC000097619219 219042218 /nfs/dbraw/zinc/04/22/18/219042218.db2.gz YOSNEZVSADYCCT-UHFFFAOYSA-N 1 0 325.416 2.983 50 0 EFAARO OCC[C@@H]1CN(Cc2ccc(O)cc2)CC[N@@H+]1CC1CCCCC1 ZINC000020205263 212110681 /nfs/dbraw/zinc/11/06/81/212110681.db2.gz AYUUIBNPGCJDQS-LJQANCHMSA-N 1 0 332.488 2.841 50 0 EFAARO CC(C)c1cc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)no1 ZINC000097681785 219047886 /nfs/dbraw/zinc/04/78/86/219047886.db2.gz HYFWQPDKRHSGNX-UHFFFAOYSA-N 1 0 337.489 2.888 50 0 EFAARO CCn1ncc(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)c1C ZINC000097698878 219049773 /nfs/dbraw/zinc/04/97/73/219049773.db2.gz CSIBGBSDTZNVDM-SFHVURJKSA-N 1 0 340.471 2.821 50 0 EFAARO O=C(NC[C@@]1(O)CCC[NH2+]C1)Nc1cccc(Cc2ccccc2)c1 ZINC000097713645 219050412 /nfs/dbraw/zinc/05/04/12/219050412.db2.gz YMDGTTZZPNAJKV-HXUWFJFHSA-N 1 0 339.439 2.513 50 0 EFAARO CCN1CCN(C(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000004700529 210252315 /nfs/dbraw/zinc/25/23/15/210252315.db2.gz QLYJDKKXNCIZMV-UHFFFAOYSA-N 1 0 349.906 2.716 50 0 EFAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2cnc(N3CCCC3)s2)C1 ZINC000097744777 219053849 /nfs/dbraw/zinc/05/38/49/219053849.db2.gz KRJUDMVQHFBWFE-SFHVURJKSA-N 1 0 329.469 2.837 50 0 EFAARO COCc1cn(C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)nn1 ZINC000055107706 214273733 /nfs/dbraw/zinc/27/37/33/214273733.db2.gz FOMZXVQUNMFTJS-NSCUHMNNSA-N 1 0 330.407 2.914 50 0 EFAARO CCSc1nc(CC(=O)NCC[C@H]2CCCC[N@@H+]2C)cs1 ZINC000055120571 214275645 /nfs/dbraw/zinc/27/56/45/214275645.db2.gz FBOZNLZJPVHHAC-CYBMUJFWSA-N 1 0 327.519 2.788 50 0 EFAARO COc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1CO ZINC000055197425 214287089 /nfs/dbraw/zinc/28/70/89/214287089.db2.gz PSEJECJISRAAHM-UHFFFAOYSA-N 1 0 340.467 2.814 50 0 EFAARO CSc1nnc(CC2CC[NH+](Cc3ccc(O)cc3)CC2)n1C ZINC000055284208 214301752 /nfs/dbraw/zinc/30/17/52/214301752.db2.gz DARDDWLLTBOADL-UHFFFAOYSA-N 1 0 332.473 2.697 50 0 EFAARO COc1cccc(OC)c1-c1ccc(CN2CC[NH+](C)CC2)cn1 ZINC000097766394 219055672 /nfs/dbraw/zinc/05/56/72/219055672.db2.gz WPXSISDSVKXXPJ-UHFFFAOYSA-N 1 0 327.428 2.513 50 0 EFAARO Cc1cc(C)n(-c2cccc(C[NH+]3CCC4(COC(=O)O4)CC3)c2)n1 ZINC000097775512 219056413 /nfs/dbraw/zinc/05/64/13/219056413.db2.gz PDLTWZFKVJDRBP-UHFFFAOYSA-N 1 0 341.411 2.991 50 0 EFAARO Cc1ccsc1CN(CC[NH+](C)C)c1ncnc2oc(C)nc21 ZINC000055413842 214322484 /nfs/dbraw/zinc/32/24/84/214322484.db2.gz RQYYPRQPAOPDOY-UHFFFAOYSA-N 1 0 331.445 2.864 50 0 EFAARO CC[N@@H+](Cc1cn(CCC(N)=O)c2ccccc12)C[C@@H]1CCCO1 ZINC000055576425 214332266 /nfs/dbraw/zinc/33/22/66/214332266.db2.gz OEBIBTGGSJJWHK-INIZCTEOSA-N 1 0 329.444 2.518 50 0 EFAARO Cc1cc(F)ccc1NC(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000097813612 219057997 /nfs/dbraw/zinc/05/79/97/219057997.db2.gz RACBFDWSKZVFID-UHFFFAOYSA-N 1 0 335.423 2.589 50 0 EFAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCc2[nH]nc(C)c2C)s1 ZINC000097823170 219058901 /nfs/dbraw/zinc/05/89/01/219058901.db2.gz NQDJHAWSHIFHIN-UHFFFAOYSA-N 1 0 348.516 2.919 50 0 EFAARO CC(C)c1ccc(NC(=O)CCC(=O)NCC[NH+]2CCCC2)cc1 ZINC000004680332 210245995 /nfs/dbraw/zinc/24/59/95/210245995.db2.gz IZZZWBKVNMWTNQ-UHFFFAOYSA-N 1 0 331.460 2.741 50 0 EFAARO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCC(N)=O ZINC000004670808 210243496 /nfs/dbraw/zinc/24/34/96/210243496.db2.gz OGTPLTQDGWGNAX-UHFFFAOYSA-N 1 0 334.803 2.503 50 0 EFAARO 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Cc1cc2c(c(C)c1)[C@@H](CC(=O)NCc1ccc(C[NH3+])cc1)C(=O)N2 ZINC000101966403 219176848 /nfs/dbraw/zinc/17/68/48/219176848.db2.gz GNUSCUIOVFZDHJ-MRXNPFEDSA-N 1 0 337.423 2.504 50 0 EFAARO [NH3+]CC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000003913855 210094625 /nfs/dbraw/zinc/09/46/25/210094625.db2.gz JPJNKFMKLOIFFQ-UHFFFAOYSA-N 1 0 333.185 2.577 50 0 EFAARO Cc1ccc(NC(=O)[C@H](C)[NH2+]CCC2=CSC3=NCCCN23)cc1 ZINC000102180706 219189929 /nfs/dbraw/zinc/18/99/29/219189929.db2.gz VOXSFLMTTGAPJY-AWEZNQCLSA-N 1 0 344.484 2.952 50 0 EFAARO CC(C)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)OC(=O)NC(C)(C)C ZINC000066325572 215033772 /nfs/dbraw/zinc/03/37/72/215033772.db2.gz SDSXPEQIXIHEEH-SJORKVTESA-N 1 0 336.476 2.729 50 0 EFAARO CCCCSc1nc(N)cc(N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)n1 ZINC000102564545 219209658 /nfs/dbraw/zinc/20/96/58/219209658.db2.gz IXMABOIJFHWEHN-VIKVFOODSA-N 1 0 335.521 2.727 50 0 EFAARO CCC12CN3CC(CC)(CN(C1)C31CC(C)(C)[NH2+]C(C)(C)C1)C2=O ZINC000019331063 282531160 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Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)C3([NH3+])CCC3)C2)cc1 ZINC000067603980 215167412 /nfs/dbraw/zinc/16/74/12/215167412.db2.gz NUDIMZZRDQBLAK-INIZCTEOSA-N 1 0 338.455 2.973 50 0 EFAARO CC[N@H+](C)CC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067655016 215174972 /nfs/dbraw/zinc/17/49/72/215174972.db2.gz FMRHLEQLASFNAH-CQSZACIVSA-N 1 0 331.243 2.845 50 0 EFAARO C[C@@H](C(=O)NCc1cccnc1-n1cnc2ccccc21)[NH+]1CCCC1 ZINC000067640924 215170948 /nfs/dbraw/zinc/17/09/48/215170948.db2.gz BWVNKPDUVIRVBO-HNNXBMFYSA-N 1 0 349.438 2.521 50 0 EFAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCn1ncc3ccccc3c1=O)CC2 ZINC000067641566 215172587 /nfs/dbraw/zinc/17/25/87/215172587.db2.gz CKKANXYYXINBIW-SFHVURJKSA-N 1 0 349.434 2.552 50 0 EFAARO CC(C)C[NH+]1CCC(CNC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000067649296 215173217 /nfs/dbraw/zinc/17/32/17/215173217.db2.gz CVQLRHINGBTEBE-UHFFFAOYSA-N 1 0 332.444 2.556 50 0 EFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2csc(-c3cnccn3)n2)n1 ZINC000067650726 215173980 /nfs/dbraw/zinc/17/39/80/215173980.db2.gz PNBIVTGCTQTZLP-GFCCVEGCSA-N 1 0 328.445 2.592 50 0 EFAARO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccc2sccc2c1 ZINC000067673510 215178787 /nfs/dbraw/zinc/17/87/87/215178787.db2.gz MHQWLKZIMIHIRP-INIZCTEOSA-N 1 0 326.421 2.793 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1O ZINC000067675643 215181410 /nfs/dbraw/zinc/18/14/10/215181410.db2.gz BMNFFXSFUGEZAO-HNNXBMFYSA-N 1 0 334.460 2.775 50 0 EFAARO O=C(NCC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000067678895 215183125 /nfs/dbraw/zinc/18/31/25/215183125.db2.gz JCDZOEDCWVIAQV-GOSISDBHSA-N 1 0 330.472 2.832 50 0 EFAARO CCC(C)(CC)[NH2+]C[C@@]1(O)CCCN(Cc2cccc(OC)c2)C1=O ZINC000067696773 215189170 /nfs/dbraw/zinc/18/91/70/215189170.db2.gz VLFHTQMAUFEFHV-FQEVSTJZSA-N 1 0 348.487 2.717 50 0 EFAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)Cc2cccnc2Cl)n1 ZINC000067713441 215191768 /nfs/dbraw/zinc/19/17/68/215191768.db2.gz RELLLINRFZFHRS-CYBMUJFWSA-N 1 0 331.851 2.937 50 0 EFAARO Cc1cc(C)cc(NC(=O)NC[C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)c1 ZINC000067713845 215193511 /nfs/dbraw/zinc/19/35/11/215193511.db2.gz HFZKSKOZABKJCG-MRXNPFEDSA-N 1 0 341.459 2.681 50 0 EFAARO O=C(C1CC1)N1CC[C@]2(C1)CCC[N@H+](CCOCc1ccccc1)C2 ZINC000067723560 215194757 /nfs/dbraw/zinc/19/47/57/215194757.db2.gz SXEKHMVPLRWPOB-OAQYLSRUSA-N 1 0 342.483 2.928 50 0 EFAARO CCOc1ccc2[nH]c(=O)c(C[NH+]3CCC([C@H](C)O)CC3)cc2c1 ZINC000067690847 215185580 /nfs/dbraw/zinc/18/55/80/215185580.db2.gz XTYWWKOVKGVFAT-ZDUSSCGKSA-N 1 0 330.428 2.520 50 0 EFAARO COc1nc2c(cc1C(=O)N1CCCC3(CC[NH2+]CC3)CC1)CCC2 ZINC000067694581 215187634 /nfs/dbraw/zinc/18/76/34/215187634.db2.gz DYQRVYVPFAQGSU-UHFFFAOYSA-N 1 0 343.471 2.575 50 0 EFAARO CN(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCOCc1ccccc1)C2 ZINC000067692728 215187650 /nfs/dbraw/zinc/18/76/50/215187650.db2.gz XTEPDQMOZLKQPC-FQEVSTJZSA-N 1 0 345.487 2.673 50 0 EFAARO CCC[C@H]([NH3+])C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067727448 215197549 /nfs/dbraw/zinc/19/75/49/215197549.db2.gz 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CC[C@H](C)[C@H]([NH2+]C)C(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000067789411 215213657 /nfs/dbraw/zinc/21/36/57/215213657.db2.gz MWUIJWCIENZYGY-SJCJKPOMSA-N 1 0 344.434 2.735 50 0 EFAARO Cc1cncc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)c1 ZINC000067788685 215214072 /nfs/dbraw/zinc/21/40/72/215214072.db2.gz KZBRXWSPQBMIPJ-QGZVFWFLSA-N 1 0 339.439 2.738 50 0 EFAARO COc1ccc(-c2nc(CN3C[C@H]4C[NH2+]C[C@H]4C3)c(C)o2)c(C)c1C ZINC000067803443 215214610 /nfs/dbraw/zinc/21/46/10/215214610.db2.gz HJGZNUWRVIOTLZ-IYBDPMFKSA-N 1 0 341.455 2.927 50 0 EFAARO Cc1cccc2cc(C[N@@H+]3CCC[C@H](Cn4ccnc4)C3)c(=O)[nH]c12 ZINC000067803175 215214768 /nfs/dbraw/zinc/21/47/68/215214768.db2.gz UWPAYFFLRZUPPG-INIZCTEOSA-N 1 0 336.439 2.945 50 0 EFAARO COC(=O)c1cccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000067801087 215214498 /nfs/dbraw/zinc/21/44/98/215214498.db2.gz RMHXXGHZGDTTCL-UHFFFAOYSA-N 1 0 348.443 2.962 50 0 EFAARO CCc1noc(CN(CC)Cc2cc3cc(C)ccc3[nH]c2=O)n1 ZINC000067833424 215222484 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NC(=O)c1cncc(Oc2ccc(C[NH+]3CCCC3)cc2Cl)n1 ZINC000067855521 215232626 /nfs/dbraw/zinc/23/26/26/215232626.db2.gz RDCNDMYASRKQNW-UHFFFAOYSA-N 1 0 332.791 2.617 50 0 EFAARO O=C(NC[C@@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)C1)C1CCC1 ZINC000067867372 215234683 /nfs/dbraw/zinc/23/46/83/215234683.db2.gz ABNHIEVDKGGSHG-KRWDZBQOSA-N 1 0 338.455 2.611 50 0 EFAARO O=S(=O)(c1ccc2ccccc2c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000067868116 215234897 /nfs/dbraw/zinc/23/48/97/215234897.db2.gz LCWJIBXFXMBNOH-UHFFFAOYSA-N 1 0 330.453 2.604 50 0 EFAARO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccncn3)C2)cc1C ZINC000067879010 215239308 /nfs/dbraw/zinc/23/93/08/215239308.db2.gz SOOIBDFFMQJYHY-GOSISDBHSA-N 1 0 338.455 2.735 50 0 EFAARO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000067885201 215241476 /nfs/dbraw/zinc/24/14/76/215241476.db2.gz TXOSGVWRPLUAGI-CQSZACIVSA-N 1 0 349.500 2.503 50 0 EFAARO C/C(=C\c1ccco1)C[N@@H+]1CC[C@H](CNC(=O)c2cnc(C)cn2)C1 ZINC000067919716 215249878 /nfs/dbraw/zinc/24/98/78/215249878.db2.gz SSWDQNMSTRAYSB-FCONWMNKSA-N 1 0 340.427 2.533 50 0 EFAARO CCc1ccccc1C(=O)NC[C@H]1CCC[N@H+](Cc2[nH]cnc2C)C1 ZINC000067909900 215248242 /nfs/dbraw/zinc/24/82/42/215248242.db2.gz ILCZJJDJLGFXPI-MRXNPFEDSA-N 1 0 340.471 2.923 50 0 EFAARO C[C@@H](CC1=CCC[N@H+](C)C1)NC(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000067921444 215251690 /nfs/dbraw/zinc/25/16/90/215251690.db2.gz YXGOMSXGPCCCQV-NSHDSACASA-N 1 0 338.354 2.778 50 0 EFAARO Cc1ccccc1NC(=O)CCNc1cc([C@@H]2CCC[NH2+]C2)ncn1 ZINC000067921777 215252044 /nfs/dbraw/zinc/25/20/44/215252044.db2.gz XYQFFHPYLHSDGS-OAHLLOKOSA-N 1 0 339.443 2.693 50 0 EFAARO O=C(CC[N@@H+]1CCc2onc(-c3cccc(F)c3)c2C1)N1CCCC1 ZINC000067934131 215252456 /nfs/dbraw/zinc/25/24/56/215252456.db2.gz DOYBSPZYJIKRSZ-UHFFFAOYSA-N 1 0 343.402 2.851 50 0 EFAARO O=C(NC[C@H]1CCC[N@H+](C/C=C/c2ccco2)C1)c1cncs1 ZINC000067934469 215253361 /nfs/dbraw/zinc/25/33/61/215253361.db2.gz GBBQRAQLFLOWIY-JBQRSBCVSA-N 1 0 331.441 2.891 50 0 EFAARO Cc1cc(C(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)ccc1F ZINC000067935465 215254360 /nfs/dbraw/zinc/25/43/60/215254360.db2.gz ZVBTVQUXJLXKAM-HNNXBMFYSA-N 1 0 334.435 2.707 50 0 EFAARO Cc1cc(NCc2cccnc2-n2cnc3ccccc32)nc(N)[nH+]1 ZINC000067935317 215254423 /nfs/dbraw/zinc/25/44/23/215254423.db2.gz LGLYJVGBWNPWJF-UHFFFAOYSA-N 1 0 331.383 2.713 50 0 EFAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccco2)C1)c1ccncc1Cl ZINC000067955973 215259650 /nfs/dbraw/zinc/25/96/50/215259650.db2.gz QQZZIRCZCVPBAI-ZDUSSCGKSA-N 1 0 333.819 2.970 50 0 EFAARO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](CNC(=O)c2cnco2)C1 ZINC000067954513 215259675 /nfs/dbraw/zinc/25/96/75/215259675.db2.gz LAIJAYJDDSZZNM-NQUDRAQSSA-N 1 0 325.412 2.830 50 0 EFAARO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](CNC(=O)c2cnco2)C1 ZINC000067954515 215259744 /nfs/dbraw/zinc/25/97/44/215259744.db2.gz LAIJAYJDDSZZNM-FVLHSZHDSA-N 1 0 325.412 2.830 50 0 EFAARO Cc1ccc(C(=O)N2CCC(C3=CC[N@H+](CCO)CC3)CC2)cc1F ZINC000067965237 215261091 /nfs/dbraw/zinc/26/10/91/215261091.db2.gz VKAKKDUNNVIRJL-UHFFFAOYSA-N 1 0 346.446 2.611 50 0 EFAARO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2F)C1)c1cc(Cl)no1 ZINC000067965933 215261947 /nfs/dbraw/zinc/26/19/47/215261947.db2.gz UIACIIZLKZXWNT-NSHDSACASA-N 1 0 337.782 2.719 50 0 EFAARO CC(=O)c1ccccc1C(=O)NC[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000067983554 215268271 /nfs/dbraw/zinc/26/82/71/215268271.db2.gz ABJXORRKBYZSNG-KRWDZBQOSA-N 1 0 337.423 2.536 50 0 EFAARO CSCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000067975627 215264747 /nfs/dbraw/zinc/26/47/47/215264747.db2.gz WNAHISZBJXFLKF-HNNXBMFYSA-N 1 0 331.485 2.859 50 0 EFAARO COc1ccc(OC)c(COC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000103464064 219303034 /nfs/dbraw/zinc/30/30/34/219303034.db2.gz FACHZQKKZVGCFY-YQQAZPJKSA-N 1 0 337.460 2.559 50 0 EFAARO COc1ccc(CN2CC[N@H+](CC(C)(C)C)C[C@H]2CCO)cc1C ZINC000104306232 219373235 /nfs/dbraw/zinc/37/32/35/219373235.db2.gz BQMUIBJMQMUHIY-GOSISDBHSA-N 1 0 334.504 2.918 50 0 EFAARO COc1cc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)ccc1F ZINC000104382613 219381961 /nfs/dbraw/zinc/38/19/61/219381961.db2.gz TZIKDJSMOFUICX-QGZVFWFLSA-N 1 0 338.467 2.749 50 0 EFAARO Cc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)o1 ZINC000104538209 219393828 /nfs/dbraw/zinc/39/38/28/219393828.db2.gz PQIHEQCZLCNILZ-LJQANCHMSA-N 1 0 328.456 2.965 50 0 EFAARO CCCNc1ncc(C[NH+]2CCC(OCc3ccccn3)CC2)cn1 ZINC000215206804 535205414 /nfs/dbraw/zinc/20/54/14/535205414.db2.gz QXLYRLCAZZTIJR-UHFFFAOYSA-N 1 0 341.459 2.875 50 0 EFAARO FC(F)(F)CN1CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095499176 282908834 /nfs/dbraw/zinc/90/88/34/282908834.db2.gz NXZYNPNLGVMDIY-CQSZACIVSA-N 1 0 328.378 2.808 50 0 EFAARO CCn1nc(C)c(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)c1C ZINC000039531614 213240051 /nfs/dbraw/zinc/24/00/51/213240051.db2.gz PKDNAMIDJPWLIP-LJQANCHMSA-N 1 0 348.535 2.721 50 0 EFAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cc1C ZINC000039536990 213239080 /nfs/dbraw/zinc/23/90/80/213239080.db2.gz BWQHJPCCDSAJNM-LJQANCHMSA-N 1 0 332.488 2.815 50 0 EFAARO COc1ccc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)cc1 ZINC000039532325 213240148 /nfs/dbraw/zinc/24/01/48/213240148.db2.gz YMPFUCNEVJDGQR-QGZVFWFLSA-N 1 0 346.496 2.826 50 0 EFAARO CCc1nc(C)c(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)[nH]1 ZINC000039406680 213236037 /nfs/dbraw/zinc/23/60/37/213236037.db2.gz OXQVEPRNOJEWPL-GOSISDBHSA-N 1 0 348.535 2.729 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CSc1nnc2ccc(-c3ccccn3)nn21 ZINC000038770671 213225164 /nfs/dbraw/zinc/22/51/64/213225164.db2.gz CKHAHNWIOSIKIS-CYBMUJFWSA-N 1 0 340.456 2.763 50 0 EFAARO Cn1cccc1[C@@H](CNC(=O)NCc1ccc(Cl)cc1)[NH+](C)C ZINC000038489730 213211625 /nfs/dbraw/zinc/21/16/25/213211625.db2.gz RFCCVFRHGJGJFC-MRXNPFEDSA-N 1 0 334.851 2.781 50 0 EFAARO Cc1oc(-c2cccs2)nc1CN1CC[N@@H+](C(C)C)[C@H](CCO)C1 ZINC000038149503 213203905 /nfs/dbraw/zinc/20/39/05/213203905.db2.gz QBBHDVZDZZJPPU-OAHLLOKOSA-N 1 0 349.500 2.989 50 0 EFAARO CCNc1cc(NCCNC(=O)c2ccccc2Cl)nc(C)[nH+]1 ZINC000036708072 213111164 /nfs/dbraw/zinc/11/11/64/213111164.db2.gz BSCBTSUTORLRCI-UHFFFAOYSA-N 1 0 333.823 2.712 50 0 EFAARO CN(C)c1cc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)ncn1 ZINC000071765060 215819965 /nfs/dbraw/zinc/81/99/65/215819965.db2.gz DEXBKITYLSMIIE-MRXNPFEDSA-N 1 0 326.444 2.990 50 0 EFAARO Fc1ccc(OCC[N@@H+]2CCCC[C@H]2CCN2CCOCC2)cc1 ZINC000072119582 216014272 /nfs/dbraw/zinc/01/42/72/216014272.db2.gz MBRTVUJZRJNAMA-SFHVURJKSA-N 1 0 336.451 2.781 50 0 EFAARO Cc1cccnc1CN1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000072121808 216014962 /nfs/dbraw/zinc/01/49/62/216014962.db2.gz WBTVHBDBXGOGSN-UHFFFAOYSA-N 1 0 347.466 2.894 50 0 EFAARO CN1C[C@]2(CCC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)CC2)OC1=O ZINC000072123931 216016387 /nfs/dbraw/zinc/01/63/87/216016387.db2.gz SAVCTSKEMOAYGQ-QGZVFWFLSA-N 1 0 346.456 2.945 50 0 EFAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000072126460 216017684 /nfs/dbraw/zinc/01/76/84/216017684.db2.gz SBDGBKGKSGDLST-INIZCTEOSA-N 1 0 328.453 2.634 50 0 EFAARO Cc1cncc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1 ZINC000072126668 216017754 /nfs/dbraw/zinc/01/77/54/216017754.db2.gz SVZXTKVBDZUIPM-FQEVSTJZSA-N 1 0 335.451 2.705 50 0 EFAARO COc1ccccc1-n1cc(CN2CC([N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000072133664 216022322 /nfs/dbraw/zinc/02/23/22/216022322.db2.gz VMARGXKQDOAXRE-INIZCTEOSA-N 1 0 340.471 2.940 50 0 EFAARO O=C(c1cccc(O)c1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072144253 216030648 /nfs/dbraw/zinc/03/06/48/216030648.db2.gz ZMMAMTXSMZGYQV-IBGZPJMESA-N 1 0 336.435 2.708 50 0 EFAARO CN1C[C@@]2(CCC[N@H+](Cc3nnc(-c4ccccc4)o3)CC2)OC1=O ZINC000072145794 216031885 /nfs/dbraw/zinc/03/18/85/216031885.db2.gz BSUQPBZYNAHEAE-SFHVURJKSA-N 1 0 342.399 2.543 50 0 EFAARO CCCN(Cc1nccn1C)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072146519 216034277 /nfs/dbraw/zinc/03/42/77/216034277.db2.gz CGKWERWAYOQOCN-OAHLLOKOSA-N 1 0 326.444 2.549 50 0 EFAARO CCc1nn(C)c(Cl)c1C[NH+]1CCC(c2cc(=O)[nH]c(C)n2)CC1 ZINC000072152126 216040972 /nfs/dbraw/zinc/04/09/72/216040972.db2.gz ARXUUZTUFJIURP-UHFFFAOYSA-N 1 0 349.866 2.820 50 0 EFAARO Cn1ncc2c1nc(C(C)(C)C)nc2N1CCC2(C1)CC[NH+](C)CC2 ZINC000072148225 216035027 /nfs/dbraw/zinc/03/50/27/216035027.db2.gz MRPCWWSYYHOBNC-UHFFFAOYSA-N 1 0 342.491 2.583 50 0 EFAARO COc1cccc([C@@H]2C[N@H+](CCCCCO)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072149286 216036541 /nfs/dbraw/zinc/03/65/41/216036541.db2.gz MHAFGLPQLDGBJT-PWRODBHTSA-N 1 0 344.499 2.720 50 0 EFAARO OCCCC[N@@H+]1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072149714 216037131 /nfs/dbraw/zinc/03/71/31/216037131.db2.gz TXPVMNBQLTYUQB-ATZDWAIDSA-N 1 0 336.426 2.599 50 0 EFAARO O=C(CCc1ccco1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072153523 216042589 /nfs/dbraw/zinc/04/25/89/216042589.db2.gz ZHCCBZXNAVDOQG-IBGZPJMESA-N 1 0 338.451 2.914 50 0 EFAARO Cc1ccccc1-c1ccc(C[N@@H+]2CCN[C@H](C(=O)NC3CC3)C2)cc1 ZINC000072154001 216043799 /nfs/dbraw/zinc/04/37/99/216043799.db2.gz GDYCNEKCQADZPH-NRFANRHFSA-N 1 0 349.478 2.714 50 0 EFAARO O[C@H]1[C@H](n2cc(-c3ccccc3)nn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072156939 216046828 /nfs/dbraw/zinc/04/68/28/216046828.db2.gz QWZDHRJFJQLPPN-UXHICEINSA-N 1 0 346.434 2.530 50 0 EFAARO CC[C@H]1CN(c2nc(C(C)(C)C)nc3c2cnn3C)CC[N@@H+]1C(C)C ZINC000072157172 216047188 /nfs/dbraw/zinc/04/71/88/216047188.db2.gz BMRIQDSCSLECCI-AWEZNQCLSA-N 1 0 344.507 2.970 50 0 EFAARO CC(C)[N@@H+]1CCN(c2nc(C3CCCC3)nc3c2cnn3C)C[C@@H]1C ZINC000072163227 216051920 /nfs/dbraw/zinc/05/19/20/216051920.db2.gz OESGCPOAABLZLA-AWEZNQCLSA-N 1 0 342.491 2.940 50 0 EFAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc(-c3ccco3)c2)CC1 ZINC000072164080 216052873 /nfs/dbraw/zinc/05/28/73/216052873.db2.gz MTAYBXQXYKQXJG-HXUWFJFHSA-N 1 0 342.439 2.865 50 0 EFAARO Cn1ncc2c1nc(C1CCCC1)nc2N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000072165624 216054234 /nfs/dbraw/zinc/05/42/34/216054234.db2.gz AZSCKUJSFCAURV-LSDHHAIUSA-N 1 0 340.475 2.694 50 0 EFAARO Cn1c(CNC(=O)c2cccc([C@H]3CC[NH2+]C3)c2)nc2ccccc21 ZINC000072165316 216054773 /nfs/dbraw/zinc/05/47/73/216054773.db2.gz QELMPPMKFBMBFW-INIZCTEOSA-N 1 0 334.423 2.580 50 0 EFAARO O=C1NC[C@@]2(CCC[N@H+](Cc3cnc(C4CCCCC4)nc3)CC2)O1 ZINC000072162658 216051097 /nfs/dbraw/zinc/05/10/97/216051097.db2.gz HHZNJQIXTYDTFV-IBGZPJMESA-N 1 0 344.459 2.989 50 0 EFAARO Fc1cc(F)cc([C@H]2CN(Cc3c[nH]cn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072169521 216060762 /nfs/dbraw/zinc/06/07/62/216060762.db2.gz RYJJYCCBKZXZAI-GUDVDZBRSA-N 1 0 344.409 2.750 50 0 EFAARO O=C(CCCc1cn[nH]c1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000072170383 216062729 /nfs/dbraw/zinc/06/27/29/216062729.db2.gz RKVHQEMWYNKTOL-SFHVURJKSA-N 1 0 332.492 2.893 50 0 EFAARO CCCOc1ccc(OCC[N@@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)cc1 ZINC000072168757 216059032 /nfs/dbraw/zinc/05/90/32/216059032.db2.gz VZXHOYLSQOXDEN-IBGZPJMESA-N 1 0 348.443 2.771 50 0 EFAARO O=C(CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)NCc1ccccc1Cl ZINC000072270773 216092689 /nfs/dbraw/zinc/09/26/89/216092689.db2.gz IZQPDBMAHNXKNC-OAHLLOKOSA-N 1 0 346.862 2.949 50 0 EFAARO O=C(OC1CC[NH+](CCO)CC1)C(c1ccccc1)c1ccccc1 ZINC000000409587 209573209 /nfs/dbraw/zinc/57/32/09/209573209.db2.gz JQTRZESJAGOXTL-UHFFFAOYSA-N 1 0 339.435 2.818 50 0 EFAARO c1ccc2[nH]c(CNc3nc(CC4CC4)nc4c3CC[NH2+]CC4)nc2c1 ZINC000072408433 216200207 /nfs/dbraw/zinc/20/02/07/216200207.db2.gz WFHIFQYLKIBOQL-UHFFFAOYSA-N 1 0 348.454 2.606 50 0 EFAARO CCN1CC2(CC[NH+](Cc3ccc4ccn(C)c4c3)CC2)OC1=O ZINC000072407647 216198365 /nfs/dbraw/zinc/19/83/65/216198365.db2.gz OICTYBUHLUXQDW-UHFFFAOYSA-N 1 0 327.428 2.985 50 0 EFAARO CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072410460 216202921 /nfs/dbraw/zinc/20/29/21/216202921.db2.gz XLSAVRCWCRCXIS-HXUWFJFHSA-N 1 0 332.488 2.804 50 0 EFAARO C[NH+]1CCC2(CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)C2)CC1 ZINC000072418380 216205804 /nfs/dbraw/zinc/20/58/04/216205804.db2.gz VJEPCTMENYZFRV-UHFFFAOYSA-N 1 0 344.499 2.948 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072424184 216213179 /nfs/dbraw/zinc/21/31/79/216213179.db2.gz UVMVWPLYAAMFIE-KRWDZBQOSA-N 1 0 332.488 2.852 50 0 EFAARO C[N@@H+]1CCc2nc(-c3ccncc3)nc(NCCc3ccco3)c2CC1 ZINC000072419444 216207852 /nfs/dbraw/zinc/20/78/52/216207852.db2.gz FZLNJNUWTPGTNE-UHFFFAOYSA-N 1 0 349.438 2.817 50 0 EFAARO COc1cccc(-c2ncc(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)s2)c1 ZINC000072420218 216209454 /nfs/dbraw/zinc/20/94/54/216209454.db2.gz QHUATTALSGCRLT-WCQYABFASA-N 1 0 331.441 2.562 50 0 EFAARO Cc1nc2c(c(N[C@H](C)c3ccccc3-n3cccn3)n1)CC[NH2+]CC2 ZINC000072422859 216211383 /nfs/dbraw/zinc/21/13/83/216211383.db2.gz ZTVOTLKZITUKID-CQSZACIVSA-N 1 0 348.454 2.832 50 0 EFAARO O=C1CC[C@]2(CCCN(c3cc[nH+]cc3)C2)CN1Cc1ccccn1 ZINC000072424811 216214875 /nfs/dbraw/zinc/21/48/75/216214875.db2.gz DRUMOPHNHILURH-FQEVSTJZSA-N 1 0 336.439 2.886 50 0 EFAARO C[C@@H](C1CCN(C(=O)CCc2ccccc2F)CC1)[NH+]1CCOCC1 ZINC000072428051 216219649 /nfs/dbraw/zinc/21/96/49/216219649.db2.gz FOLLQZGQOQAGMD-INIZCTEOSA-N 1 0 348.462 2.718 50 0 EFAARO C[C@H](CN1CC2(CCN(CC(C)(C)[NH3+])CC2)OC1=O)c1ccccc1 ZINC000072428967 216219948 /nfs/dbraw/zinc/21/99/48/216219948.db2.gz HSMCTZQRAGAZJF-MRXNPFEDSA-N 1 0 345.487 2.814 50 0 EFAARO Cc1ccc(-c2cc(CNc3ncnc4c3CC[NH2+]CC4)no2)cc1 ZINC000072428590 216220950 /nfs/dbraw/zinc/22/09/50/216220950.db2.gz TYRGOOQQDVAMJT-UHFFFAOYSA-N 1 0 335.411 2.740 50 0 EFAARO O=C(CCCc1ccccc1)N1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000072426502 216218109 /nfs/dbraw/zinc/21/81/09/216218109.db2.gz CFNWDDNYUWTZCV-HXUWFJFHSA-N 1 0 344.499 2.847 50 0 EFAARO COCCNc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072431282 216224035 /nfs/dbraw/zinc/22/40/35/216224035.db2.gz DJNSRCDBQCZSGD-UHFFFAOYSA-N 1 0 346.862 2.858 50 0 EFAARO COc1ccc([C@@H](C)n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000072433151 216226754 /nfs/dbraw/zinc/22/67/54/216226754.db2.gz YVNAHMIQVKFIGS-CQSZACIVSA-N 1 0 337.427 2.858 50 0 EFAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)C2CCCCC2)[nH+]1 ZINC000072434176 216230055 /nfs/dbraw/zinc/23/00/55/216230055.db2.gz XELAXQKTBSGQJO-UHFFFAOYSA-N 1 0 345.491 2.884 50 0 EFAARO Cc1ncc2c(c1CNC(=O)c1cccc(OC(F)F)c1)CC[NH2+]C2 ZINC000072436732 216232790 /nfs/dbraw/zinc/23/27/90/216232790.db2.gz QNHVNCYLEGZJEH-UHFFFAOYSA-N 1 0 347.365 2.567 50 0 EFAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1n[nH]c2ccccc21 ZINC000072462813 216245455 /nfs/dbraw/zinc/24/54/55/216245455.db2.gz WJXMEHCLBJRXPU-INIZCTEOSA-N 1 0 334.423 2.692 50 0 EFAARO Fc1cccc(CNc2nc(C3CC3)nc3c2CC[NH2+]CC3)c1F ZINC000072474031 216252041 /nfs/dbraw/zinc/25/20/41/216252041.db2.gz UOSARFXZOUWPOU-UHFFFAOYSA-N 1 0 330.382 2.933 50 0 EFAARO Oc1cc2c(cc1-n1ccnc1-c1cc3n(n1)CCC[NH2+]C3)CCCC2 ZINC000072481549 216261446 /nfs/dbraw/zinc/26/14/46/216261446.db2.gz HCDNEDSOAGLBGA-UHFFFAOYSA-N 1 0 349.438 2.814 50 0 EFAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCc1ccc(O)cc1 ZINC000072480545 216260257 /nfs/dbraw/zinc/26/02/57/216260257.db2.gz FCHVMWFBMAYLPK-LJQANCHMSA-N 1 0 338.451 2.840 50 0 EFAARO CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1cccc(C)n1)CC2 ZINC000072481071 216261280 /nfs/dbraw/zinc/26/12/80/216261280.db2.gz PMJMHFCJJOKZEE-KRWDZBQOSA-N 1 0 331.460 2.541 50 0 EFAARO CCCc1cc(C(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)ccn1 ZINC000072481392 216261960 /nfs/dbraw/zinc/26/19/60/216261960.db2.gz OLEAVYAZLBGJOJ-INIZCTEOSA-N 1 0 345.487 2.607 50 0 EFAARO Cc1ncsc1CCCn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072480999 216262169 /nfs/dbraw/zinc/26/21/69/216262169.db2.gz DIJSWFFGTUQSGV-UHFFFAOYSA-N 1 0 342.472 2.638 50 0 EFAARO c1cn(-c2cnc3ccccc3c2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072481124 216262248 /nfs/dbraw/zinc/26/22/48/216262248.db2.gz ZTYKHJANASNISD-UHFFFAOYSA-N 1 0 330.395 2.777 50 0 EFAARO Cc1nnc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000023505052 212380574 /nfs/dbraw/zinc/38/05/74/212380574.db2.gz JZEOASFEALOQEE-UHFFFAOYSA-N 1 0 345.472 2.880 50 0 EFAARO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000023477187 212378914 /nfs/dbraw/zinc/37/89/14/212378914.db2.gz JJABEQFRZHRLAS-HNNXBMFYSA-N 1 0 343.452 2.819 50 0 EFAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(O)cc3)C[C@@H]2CCO)cc1 ZINC000023374731 212373147 /nfs/dbraw/zinc/37/31/47/212373147.db2.gz HWNJLQCGVYICQQ-FQEVSTJZSA-N 1 0 340.467 2.769 50 0 EFAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c(OC)c1 ZINC000023374210 212371885 /nfs/dbraw/zinc/37/18/85/212371885.db2.gz HQCQIYBMUFPTAS-SFHVURJKSA-N 1 0 348.487 2.515 50 0 EFAARO COc1ccc(CN2CC[N@@H+](C3CCCC3)C[C@@H]2CCO)cc1C ZINC000023359247 212370158 /nfs/dbraw/zinc/37/01/58/212370158.db2.gz BRULIKZQAVOVMS-IBGZPJMESA-N 1 0 332.488 2.815 50 0 EFAARO CSc1cccc(C[NH+]2CCC(n3cc(C[C@H](C)O)nn3)CC2)c1 ZINC000023367484 212369878 /nfs/dbraw/zinc/36/98/78/212369878.db2.gz HVOIWCINHOSARL-AWEZNQCLSA-N 1 0 346.500 2.760 50 0 EFAARO COc1ccccc1[C@H](C[NH2+]Cc1ccc2c(c1)OCCO2)N(C)C ZINC000023248970 212363535 /nfs/dbraw/zinc/36/35/35/212363535.db2.gz NAUVZOZOBGDEAY-KRWDZBQOSA-N 1 0 342.439 2.859 50 0 EFAARO C[N@@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@@H](O)CO ZINC000023214127 212361203 /nfs/dbraw/zinc/36/12/03/212361203.db2.gz XGDQQTLXWWVVCE-LJQANCHMSA-N 1 0 337.423 2.529 50 0 EFAARO CCCOc1cccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c1 ZINC000023158263 212356654 /nfs/dbraw/zinc/35/66/54/212356654.db2.gz WMBAXXXNBAHDDL-MRXNPFEDSA-N 1 0 327.428 2.938 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@@H]1CCO ZINC000023146123 212356091 /nfs/dbraw/zinc/35/60/91/212356091.db2.gz NZDYMXSHWJOHML-IBGZPJMESA-N 1 0 348.535 2.982 50 0 EFAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)C(=O)NC1CCCCCC1 ZINC000023127394 212350787 /nfs/dbraw/zinc/35/07/87/212350787.db2.gz IMGUYSNXDXAOKR-UHFFFAOYSA-N 1 0 349.519 2.596 50 0 EFAARO CCCn1ncc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c1C ZINC000022925873 212336279 /nfs/dbraw/zinc/33/62/79/212336279.db2.gz XAMXCWJUWGOWFQ-SFHVURJKSA-N 1 0 336.524 2.516 50 0 EFAARO Cc1ncc(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1C ZINC000022913974 212334472 /nfs/dbraw/zinc/33/44/72/212334472.db2.gz VAFVYNOTZXCQAJ-KRWDZBQOSA-N 1 0 330.451 2.964 50 0 EFAARO C[NH+]1CCN([C@@H](CNC(=O)c2cccs2)c2ccsc2)CC1 ZINC000022765543 212322182 /nfs/dbraw/zinc/32/21/82/212322182.db2.gz LWWPGEMKCZHLSF-AWEZNQCLSA-N 1 0 335.498 2.528 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1ccsc1 ZINC000022766893 212321672 /nfs/dbraw/zinc/32/16/72/212321672.db2.gz HIFYKUVFZDIWFQ-CYBMUJFWSA-N 1 0 333.413 2.901 50 0 EFAARO Cc1cccc(C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)c1 ZINC000022447887 212297976 /nfs/dbraw/zinc/29/79/76/212297976.db2.gz QWCLLBIATHAZBX-GOSISDBHSA-N 1 0 343.496 2.775 50 0 EFAARO C[C@H](NC(=O)C[NH+]1CCC(CCn2cccn2)CC1)c1ccccc1 ZINC000252499399 240307007 /nfs/dbraw/zinc/30/70/07/240307007.db2.gz RZWVGIBKBYKFLW-KRWDZBQOSA-N 1 0 340.471 2.863 50 0 EFAARO O=c1cc(CN2CCC[N@@H+](C3CCCC3)CC2)[nH]c2ccccc12 ZINC000215018531 241103697 /nfs/dbraw/zinc/10/36/97/241103697.db2.gz GJMCGUIRESMYGY-UHFFFAOYSA-N 1 0 325.456 2.978 50 0 EFAARO CSCC[NH+]1CCC(NC(=O)c2cccc(-c3ncc[nH]3)c2)CC1 ZINC000215333576 241121360 /nfs/dbraw/zinc/12/13/60/241121360.db2.gz CMZOSDSWWIGBTC-UHFFFAOYSA-N 1 0 344.484 2.634 50 0 EFAARO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@](O)(CO)CC2)s1 ZINC000215066999 241105853 /nfs/dbraw/zinc/10/58/53/241105853.db2.gz CUZLVTQBTJSJMT-SFHVURJKSA-N 1 0 332.469 2.828 50 0 EFAARO COC1CC[NH+](Cc2ccccc2OCCCn2ccnc2)CC1 ZINC000215101768 241106036 /nfs/dbraw/zinc/10/60/36/241106036.db2.gz OIXLKEPYFTZYBD-UHFFFAOYSA-N 1 0 329.444 2.963 50 0 EFAARO C[C@@H]1C[N@H+](C)CCCN1Cc1ccc(OCCCn2ccnc2)cc1 ZINC000215127794 241109364 /nfs/dbraw/zinc/10/93/64/241109364.db2.gz XHSNXWOLRGQZAB-GOSISDBHSA-N 1 0 342.487 2.878 50 0 EFAARO CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H](O)c1cccc(O)c1 ZINC000215280221 241117975 /nfs/dbraw/zinc/11/79/75/241117975.db2.gz ORTAYVHEMLOZBM-QGZVFWFLSA-N 1 0 327.384 2.931 50 0 EFAARO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c(-n2cccn2)c1 ZINC000215710281 241141015 /nfs/dbraw/zinc/14/10/15/241141015.db2.gz HNMFPFNBTREGTC-MRXNPFEDSA-N 1 0 336.443 2.987 50 0 EFAARO O[C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3OC3CCCC3)C[C@H]2C[C@@H]1O ZINC000215857239 241151699 /nfs/dbraw/zinc/15/16/99/241151699.db2.gz RXLHUGWVGKAISO-XHVUQVIVSA-N 1 0 331.456 2.572 50 0 EFAARO C[NH+](C)CC(C)(C)CNC(=O)c1cc(-n2cccn2)ccc1Cl ZINC000215961494 241156726 /nfs/dbraw/zinc/15/67/26/241156726.db2.gz GSMDVJHGRNPNIX-UHFFFAOYSA-N 1 0 334.851 2.843 50 0 EFAARO Cn1ccc2cc(C[N@@H+](Cc3cccnc3)C[C@@H]3CCC(=O)N3)ccc21 ZINC000215920239 241157729 /nfs/dbraw/zinc/15/77/29/241157729.db2.gz YQUQKBKTEQFZHV-IBGZPJMESA-N 1 0 348.450 2.854 50 0 EFAARO OC1(c2cccnc2)CC[NH+](C[C@]2(c3ccccc3)CCOC2)CC1 ZINC000216257784 241178472 /nfs/dbraw/zinc/17/84/72/241178472.db2.gz CZOYYROHLYWXJZ-HXUWFJFHSA-N 1 0 338.451 2.723 50 0 EFAARO COc1ccc(C[NH+]2CCC([C@H](O)Cc3ccccc3)CC2)cn1 ZINC000216408694 241189660 /nfs/dbraw/zinc/18/96/60/241189660.db2.gz ZVVQHWXXATUIRI-LJQANCHMSA-N 1 0 326.440 2.906 50 0 EFAARO CCc1nccc(C[NH+]2CCC(Cc3noc(C4CC4)n3)CC2)n1 ZINC000215619820 241134481 /nfs/dbraw/zinc/13/44/81/241134481.db2.gz BVEIGVHOLJHVAC-UHFFFAOYSA-N 1 0 327.432 2.754 50 0 EFAARO CC(=O)N1CCC([N@@H+]2CCO[C@@H](CCCc3ccccc3)C2)CC1 ZINC000020912122 212186418 /nfs/dbraw/zinc/18/64/18/212186418.db2.gz KBCBRBLTNBXSQF-FQEVSTJZSA-N 1 0 330.472 2.721 50 0 EFAARO CC(=O)N1CCC([N@@H+]2CCO[C@H](CCCc3ccccc3)C2)CC1 ZINC000020912127 212186326 /nfs/dbraw/zinc/18/63/26/212186326.db2.gz KBCBRBLTNBXSQF-HXUWFJFHSA-N 1 0 330.472 2.721 50 0 EFAARO C[N@H+](CCn1ccc2ccccc21)Cc1cc(=O)n2ccsc2n1 ZINC000244700856 243061162 /nfs/dbraw/zinc/06/11/62/243061162.db2.gz JVGJBQLMFNXJKG-UHFFFAOYSA-N 1 0 338.436 2.843 50 0 EFAARO COCc1nc(NCc2cc(C(C)C)on2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244700970 243061431 /nfs/dbraw/zinc/06/14/31/243061431.db2.gz JXKIRFFNRXRRPE-HAQNSBGRSA-N 1 0 331.420 2.551 50 0 EFAARO COc1ccc(OCCC[NH+]2CCC3(CCC(=O)N3C)CC2)cc1 ZINC000244707928 243062235 /nfs/dbraw/zinc/06/22/35/243062235.db2.gz KKFWNOYFPHWYCB-UHFFFAOYSA-N 1 0 332.444 2.551 50 0 EFAARO CC(C)c1noc(C2CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)ncn3)CC2)n1 ZINC000244708043 243064246 /nfs/dbraw/zinc/06/42/46/243064246.db2.gz KMNHYPHVEGKOPJ-OKILXGFUSA-N 1 0 342.447 2.572 50 0 EFAARO Cc1ccc(OCCN(C)c2cc([C@H]3C[C@H]([NH3+])C3)ncn2)c(C)c1 ZINC000244708161 243064853 /nfs/dbraw/zinc/06/48/53/243064853.db2.gz KOUPANVYUYQLEI-WKILWMFISA-N 1 0 326.444 2.813 50 0 EFAARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2cc(-c3ccncc3)no2)C1 ZINC000244718680 243065224 /nfs/dbraw/zinc/06/52/24/243065224.db2.gz LOWPHTIGRNDXKV-ZBFHGGJFSA-N 1 0 348.406 2.518 50 0 EFAARO C[C@H](Cc1cnccn1)[N@H+](C)CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000244601803 243041152 /nfs/dbraw/zinc/04/11/52/243041152.db2.gz DRZUUJFMMZVXKT-OAHLLOKOSA-N 1 0 338.455 2.857 50 0 EFAARO Cc1nc(CC2CC[NH+](Cc3cc(-c4cccnc4)no3)CC2)no1 ZINC000244678561 243054550 /nfs/dbraw/zinc/05/45/50/243054550.db2.gz IFTPPCDXMXPIFB-UHFFFAOYSA-N 1 0 339.399 2.883 50 0 EFAARO CN(CCC[NH+]1CCCCCC1)C(=O)c1cnc2ccccc2n1 ZINC000244773799 243077971 /nfs/dbraw/zinc/07/79/71/243077971.db2.gz PGWOBZBURHLAOG-UHFFFAOYSA-N 1 0 326.444 2.968 50 0 EFAARO COc1c[nH]c(C[N@@H+]2CCC[C@H](c3nc(CC(C)C)no3)C2)cc1=O ZINC000244773954 243078659 /nfs/dbraw/zinc/07/86/59/243078659.db2.gz PJIXTUFMBLIWDT-ZDUSSCGKSA-N 1 0 346.431 2.757 50 0 EFAARO Cc1cccc2cc(C(=O)N[C@@H]([C@H]3C[C@H](O)C3)C3CC[NH2+]CC3)oc21 ZINC000244774206 243079950 /nfs/dbraw/zinc/07/99/50/243079950.db2.gz PPNXOOCNTLFEDM-JFIYKMOQSA-N 1 0 342.439 2.610 50 0 EFAARO CC(C)c1nc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)no1 ZINC000244811547 243084225 /nfs/dbraw/zinc/08/42/25/243084225.db2.gz SGPKSZYIKHZPEM-UHFFFAOYSA-N 1 0 340.471 2.868 50 0 EFAARO CC(=O)N1CCC[N@H+](CCC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000244723649 243069006 /nfs/dbraw/zinc/06/90/06/243069006.db2.gz MFAMVRPIOJRURC-UHFFFAOYSA-N 1 0 337.851 2.531 50 0 EFAARO Cc1cc(=O)oc2c(C)c(OC[C@@H](O)CNc3cc[nH+]cc3)ccc12 ZINC000020745237 212168164 /nfs/dbraw/zinc/16/81/64/212168164.db2.gz QREZXPKESIUJPI-HNNXBMFYSA-N 1 0 340.379 2.657 50 0 EFAARO Cc1ncc(C[NH+]2CCC(Cn3cc(C4CCCC4)nn3)CC2)n1C ZINC000020706292 212162395 /nfs/dbraw/zinc/16/23/95/212162395.db2.gz PMXFIFBVWDWQGR-UHFFFAOYSA-N 1 0 342.491 2.890 50 0 EFAARO CN(CCC[NH+](C)C)[C@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000020682589 212161195 /nfs/dbraw/zinc/16/11/95/212161195.db2.gz QCZWIAGMXCMYCG-KRWDZBQOSA-N 1 0 349.544 2.653 50 0 EFAARO CCCCOc1cccc(OCCOCCN2CC[NH+](C)CC2)c1 ZINC000020653149 212159972 /nfs/dbraw/zinc/15/99/72/212159972.db2.gz IBSGPFVOUSGVKH-UHFFFAOYSA-N 1 0 336.476 2.508 50 0 EFAARO Cc1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020639138 212158316 /nfs/dbraw/zinc/15/83/16/212158316.db2.gz UIROVOQVAUEETI-FQEVSTJZSA-N 1 0 340.467 2.553 50 0 EFAARO CN(Cc1noc(C2CC2)n1)C(=O)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000020602250 212152877 /nfs/dbraw/zinc/15/28/77/212152877.db2.gz PCMCAWSGJUIGMP-LLVKDONJSA-N 1 0 332.429 2.705 50 0 EFAARO CC(C)CC[N@@H+]1CCN(Cc2cc(F)cc(F)c2)C[C@@H]1CCO ZINC000020598724 212151344 /nfs/dbraw/zinc/15/13/44/212151344.db2.gz UOHVQVSJEFPZRB-SFHVURJKSA-N 1 0 326.431 2.880 50 0 EFAARO CSc1ccccc1C(=O)N1CCC[C@@H](N(C)CCC[NH+](C)C)C1 ZINC000020599097 212151014 /nfs/dbraw/zinc/15/10/14/212151014.db2.gz YAGDVOBYUIEDHJ-MRXNPFEDSA-N 1 0 349.544 2.897 50 0 EFAARO CCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000020595160 212150372 /nfs/dbraw/zinc/15/03/72/212150372.db2.gz CQXMYDFUAMAXSQ-UHFFFAOYSA-N 1 0 330.259 2.960 50 0 EFAARO CCC[NH+]1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000020595177 212150234 /nfs/dbraw/zinc/15/02/34/212150234.db2.gz LGMWHXPKPHVZOX-UHFFFAOYSA-N 1 0 330.259 2.960 50 0 EFAARO COC(=O)c1ccc(C[NH2+][C@H]2COc3c(cccc3OC)C2)cc1 ZINC000020539951 212146080 /nfs/dbraw/zinc/14/60/80/212146080.db2.gz YPRSAJNHEFVUHU-MRXNPFEDSA-N 1 0 327.380 2.575 50 0 EFAARO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(=O)c4cccc(F)c4[nH]3)C2)[nH]1 ZINC000253536447 244013940 /nfs/dbraw/zinc/01/39/40/244013940.db2.gz FXFKKZKEUUCSKZ-GFCCVEGCSA-N 1 0 341.390 2.886 50 0 EFAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccc(Cl)c3)C2)CC1 ZINC000020451392 212130094 /nfs/dbraw/zinc/13/00/94/212130094.db2.gz CVXRSZDOPNZLRN-INIZCTEOSA-N 1 0 349.906 2.762 50 0 EFAARO COc1ccc2[nH]c(CN3CC[N@H+](C(C)C)[C@@H](CCO)C3)c(C)c2c1 ZINC000020455946 212131818 /nfs/dbraw/zinc/13/18/18/212131818.db2.gz QRYAYZSWMIMOPL-INIZCTEOSA-N 1 0 345.487 2.762 50 0 EFAARO Cc1cc(C)c(OCCC[NH2+]CCN(C)C)c(Br)c1 ZINC000020418846 212127353 /nfs/dbraw/zinc/12/73/53/212127353.db2.gz QLMHLGIEZFDJDS-UHFFFAOYSA-N 1 0 329.282 2.986 50 0 EFAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH2+]C(C)C)CN1Cc1cccc(Cl)c1 ZINC000020235518 212113255 /nfs/dbraw/zinc/11/32/55/212113255.db2.gz SQOQKLCEMGJULA-IRXDYDNUSA-N 1 0 337.895 2.806 50 0 EFAARO Cc1cc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc(C)c1O ZINC000020210124 212112472 /nfs/dbraw/zinc/11/24/72/212112472.db2.gz CKDXQVALOJRKPH-IBGZPJMESA-N 1 0 332.488 2.820 50 0 EFAARO CC(C)[N@@H+]1CCN(Cc2ccccc2C(F)(F)F)C[C@@H]1CCO ZINC000020203541 212111003 /nfs/dbraw/zinc/11/10/03/212111003.db2.gz QMTJTRVMOUJAOT-HNNXBMFYSA-N 1 0 330.394 2.982 50 0 EFAARO O=C(NCc1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020100491 212100162 /nfs/dbraw/zinc/10/01/62/212100162.db2.gz PCARZMYCNORGMC-UHFFFAOYSA-N 1 0 327.403 2.749 50 0 EFAARO O=C(NCc1ccccn1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020100448 212100201 /nfs/dbraw/zinc/10/02/01/212100201.db2.gz DAUIACMDFIMUQR-UHFFFAOYSA-N 1 0 327.403 2.749 50 0 EFAARO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000019939656 212087709 /nfs/dbraw/zinc/08/77/09/212087709.db2.gz JNKQRGCGIHNQMV-SFHVURJKSA-N 1 0 344.434 2.512 50 0 EFAARO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000019939654 212087215 /nfs/dbraw/zinc/08/72/15/212087215.db2.gz JNKQRGCGIHNQMV-GOSISDBHSA-N 1 0 344.434 2.512 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2cn(C)c3ccccc23)C[C@@H]1CCO ZINC000019865937 212077369 /nfs/dbraw/zinc/07/73/69/212077369.db2.gz KGGIVTRYUGCJES-SFHVURJKSA-N 1 0 329.488 2.703 50 0 EFAARO Cc1ccc(COc2ccc(C[NH2+]CCN3CCOCC3)cc2)cc1 ZINC000019872421 212077192 /nfs/dbraw/zinc/07/71/92/212077192.db2.gz VCYRDTFCMUBOEY-UHFFFAOYSA-N 1 0 340.467 2.996 50 0 EFAARO O=c1cc(C2CC2)nc(-c2ccc(C[N@@H+]3CCCOCC3)cc2)[nH]1 ZINC000019853206 212076858 /nfs/dbraw/zinc/07/68/58/212076858.db2.gz UOTQHHLBBYJMOY-UHFFFAOYSA-N 1 0 325.412 2.537 50 0 EFAARO CCn1ccnc1C[NH2+][C@@H]1CCCN(Cc2cccc(OC)c2)C1 ZINC000019842241 212075548 /nfs/dbraw/zinc/07/55/48/212075548.db2.gz VYAUOXHZZGJHIT-QGZVFWFLSA-N 1 0 328.460 2.666 50 0 EFAARO CCn1ccnc1C[NH2+][C@H]1CCCN(Cc2cccc(OC)c2)C1 ZINC000019842245 212075167 /nfs/dbraw/zinc/07/51/67/212075167.db2.gz VYAUOXHZZGJHIT-KRWDZBQOSA-N 1 0 328.460 2.666 50 0 EFAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccc(O)cc2)C[C@@H]1CCO ZINC000019836317 212074569 /nfs/dbraw/zinc/07/45/69/212074569.db2.gz UBLHZSBALWAUHB-FQEVSTJZSA-N 1 0 340.467 2.769 50 0 EFAARO O=C1C[C@@H]([NH2+]C2CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000019799107 212069597 /nfs/dbraw/zinc/06/95/97/212069597.db2.gz JWHOXJXPMZLCPS-CYBMUJFWSA-N 1 0 326.318 2.870 50 0 EFAARO C[NH+]1CCN(CCOCCOc2cccc(Cl)c2Cl)CC1 ZINC000019792613 212067678 /nfs/dbraw/zinc/06/76/78/212067678.db2.gz ZUPTVIGGUPRSNZ-UHFFFAOYSA-N 1 0 333.259 2.636 50 0 EFAARO OCC[C@H]1CN(Cc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000019790871 212067797 /nfs/dbraw/zinc/06/77/97/212067797.db2.gz OPHSZOGWZKRANY-IBGZPJMESA-N 1 0 328.431 2.895 50 0 EFAARO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019790770 212067563 /nfs/dbraw/zinc/06/75/63/212067563.db2.gz CSOMHMHYUVRRBR-HXUWFJFHSA-N 1 0 340.467 2.865 50 0 EFAARO C[NH+]1CCN(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000019789479 212066706 /nfs/dbraw/zinc/06/67/06/212066706.db2.gz YNWVLLTWUYQWLW-UHFFFAOYSA-N 1 0 349.784 2.935 50 0 EFAARO COC(=O)CC[C@H](C)[N@@H+]1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000019741864 212060793 /nfs/dbraw/zinc/06/07/93/212060793.db2.gz RVLPFENYZHWPAL-LBPRGKRZSA-N 1 0 331.391 2.916 50 0 EFAARO O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CCOCC1 ZINC000019375393 212024265 /nfs/dbraw/zinc/02/42/65/212024265.db2.gz PDGFGPJQKIKAPB-UHFFFAOYSA-N 1 0 336.435 2.717 50 0 EFAARO Cc1cccc(C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)c1 ZINC000019372003 212023203 /nfs/dbraw/zinc/02/32/03/212023203.db2.gz QWCLLBIATHAZBX-SFHVURJKSA-N 1 0 343.496 2.775 50 0 EFAARO COc1ccc([C@@H](O)C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000049420895 214006752 /nfs/dbraw/zinc/00/67/52/214006752.db2.gz UNHARQAYIAICFY-FQEVSTJZSA-N 1 0 342.439 2.559 50 0 EFAARO OCC[C@H]1CN(Cc2c(F)ccc(F)c2F)CC[N@@H+]1C1CCCC1 ZINC000019219938 212005522 /nfs/dbraw/zinc/00/55/22/212005522.db2.gz VYNIXHYYOWOCKZ-AWEZNQCLSA-N 1 0 342.405 2.915 50 0 EFAARO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1cccnc1 ZINC000019200307 212004390 /nfs/dbraw/zinc/00/43/90/212004390.db2.gz QQOZSAWOPPAKIR-UHFFFAOYSA-N 1 0 349.862 2.974 50 0 EFAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1csc(NC2CC2)n1 ZINC000079191051 217200025 /nfs/dbraw/zinc/20/00/25/217200025.db2.gz CFLVVFOERBAJJH-SWLSCSKDSA-N 1 0 334.489 2.712 50 0 biogenic EFAARO Cc1cc(=O)c(O)c(C[NH+]2CCC(Cc3ccccc3)CC2)n1C ZINC000079487657 217233061 /nfs/dbraw/zinc/23/30/61/217233061.db2.gz UEMGAIKBWVXLNF-UHFFFAOYSA-N 1 0 326.440 2.854 50 0 EFAARO O=C(NC1CCCCC1)[C@H]1C[NH2+]C[C@@H](COc2cccc(F)c2)C1 ZINC000014538917 211742131 /nfs/dbraw/zinc/74/21/31/211742131.db2.gz SRORWVMGLWAVDJ-LSDHHAIUSA-N 1 0 334.435 2.879 50 0 EFAARO c1nnc(CC2CC[NH+](C[C@@H]3CCOC3)CC2)n1-c1ccccc1 ZINC000082116170 217470219 /nfs/dbraw/zinc/47/02/19/217470219.db2.gz DCFHBQGGPJIKOB-KRWDZBQOSA-N 1 0 326.444 2.558 50 0 EFAARO c1cc2c(cc1C[NH2+][C@H]1CCOC3(CCOCC3)C1)OCCCO2 ZINC000082100251 217466439 /nfs/dbraw/zinc/46/64/39/217466439.db2.gz XJCMWXDQTKXWOK-INIZCTEOSA-N 1 0 333.428 2.666 50 0 EFAARO Cc1ccc(CN(CC[NH+](C)C)c2cc([C@H]3CCOC3)ncn2)cc1 ZINC000426395939 247274358 /nfs/dbraw/zinc/27/43/58/247274358.db2.gz KEAHLCCZKXTJTR-SFHVURJKSA-N 1 0 340.471 2.857 50 0 EFAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000426399406 247276486 /nfs/dbraw/zinc/27/64/86/247276486.db2.gz LWCPLIGGGMJXTB-HDICACEKSA-N 1 0 340.471 2.654 50 0 EFAARO O=C(c1cc2cc(F)ccc2o1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000426411236 247277642 /nfs/dbraw/zinc/27/76/42/247277642.db2.gz FQKRSHUGRSROHZ-UHFFFAOYSA-N 1 0 346.402 2.635 50 0 EFAARO CN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2cc(N)cc[nH+]2)cc1 ZINC000426406357 247277856 /nfs/dbraw/zinc/27/78/56/247277856.db2.gz YFHLWSJEBIEUQQ-QGZVFWFLSA-N 1 0 325.412 2.972 50 0 EFAARO C[C@H](C[NH+](C)C)NC(=O)N(C)CCCOc1ccccc1Cl ZINC000426434165 247278948 /nfs/dbraw/zinc/27/89/48/247278948.db2.gz VRYKNSOQSMKAQF-CYBMUJFWSA-N 1 0 327.856 2.700 50 0 EFAARO OCCn1ccc([C@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)n1 ZINC000426425204 247279394 /nfs/dbraw/zinc/27/93/94/247279394.db2.gz IVQXLHJQPCMHRD-AWEZNQCLSA-N 1 0 346.500 2.590 50 0 EFAARO Cn1c(CC[NH3+])nnc1SCc1cc(F)ccc1C(F)(F)F ZINC000426504132 247288246 /nfs/dbraw/zinc/28/82/46/247288246.db2.gz XPCQWKOISWJRGO-UHFFFAOYSA-N 1 0 334.342 2.767 50 0 EFAARO Cn1c(CC[NH3+])nnc1SCc1cc(F)cc(C(F)(F)F)c1 ZINC000426503985 247288585 /nfs/dbraw/zinc/28/85/85/247288585.db2.gz KQXINLBYUVGJSX-UHFFFAOYSA-N 1 0 334.342 2.767 50 0 EFAARO CN1CCC[N@H+](Cc2c(F)cccc2Cl)CC12CC[NH2+]CC2 ZINC000426567153 247291560 /nfs/dbraw/zinc/29/15/60/247291560.db2.gz VMZLUQXXJISMBE-UHFFFAOYSA-N 1 0 325.859 2.739 50 0 EFAARO Cc1ccccc1-n1c(C[NH3+])nnc1SCc1nc(C2CC2)no1 ZINC000426563529 247291720 /nfs/dbraw/zinc/29/17/20/247291720.db2.gz TYUJNVRYQNVTOQ-UHFFFAOYSA-N 1 0 342.428 2.587 50 0 EFAARO O=C(NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCSCC1 ZINC000426727382 247293666 /nfs/dbraw/zinc/29/36/66/247293666.db2.gz HWCFMFCEMFVDLQ-GOSISDBHSA-N 1 0 347.528 2.700 50 0 EFAARO Cc1cc(C(=O)NC[C@H]2COCC[N@@H+](C)C2)c2cccc(Cl)c2n1 ZINC000426361882 247266669 /nfs/dbraw/zinc/26/66/69/247266669.db2.gz CXQYBJTWDRUMOL-CYBMUJFWSA-N 1 0 347.846 2.505 50 0 EFAARO C[NH2+]Cc1nnc(SC[C@@H]2CCOC2)n1-c1cccc(Cl)c1 ZINC000426361839 247267681 /nfs/dbraw/zinc/26/76/81/247267681.db2.gz UZYXNXWRXJBMQH-LLVKDONJSA-N 1 0 338.864 2.769 50 0 EFAARO Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+](C)C2)c2cccc(Cl)c2n1 ZINC000426361883 247267772 /nfs/dbraw/zinc/26/77/72/247267772.db2.gz CXQYBJTWDRUMOL-ZDUSSCGKSA-N 1 0 347.846 2.505 50 0 EFAARO Cc1ccc2[nH]c([C@@H](C)NC(=O)N3CC([NH+]4CCCCC4)C3)nc2c1 ZINC000426370634 247268881 /nfs/dbraw/zinc/26/88/81/247268881.db2.gz SSZRNMPUVKUOFL-CQSZACIVSA-N 1 0 341.459 2.812 50 0 EFAARO CC(C)[NH+]1CCC(NC(=O)N(C)Cc2cnc3ccccc3n2)CC1 ZINC000426370463 247269696 /nfs/dbraw/zinc/26/96/96/247269696.db2.gz KXIWWUNJXXUPTF-UHFFFAOYSA-N 1 0 341.459 2.644 50 0 EFAARO Cc1ccc2[nH]c([C@H](C)NC(=O)N3CC([NH+]4CCCCC4)C3)nc2c1 ZINC000426370633 247269913 /nfs/dbraw/zinc/26/99/13/247269913.db2.gz SSZRNMPUVKUOFL-AWEZNQCLSA-N 1 0 341.459 2.812 50 0 EFAARO COc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000012747322 211444342 /nfs/dbraw/zinc/44/43/42/211444342.db2.gz BZYCVBKFRXWVAW-KRWDZBQOSA-N 1 0 344.455 2.601 50 0 EFAARO C[NH+]1CCC(CC(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)CC1 ZINC000012431920 211377602 /nfs/dbraw/zinc/37/76/02/211377602.db2.gz SNGZNKJYAHVINF-GOSISDBHSA-N 1 0 347.478 2.638 50 0 EFAARO CCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)cn1 ZINC000012453575 211386764 /nfs/dbraw/zinc/38/67/64/211386764.db2.gz BQWAQPKHIOAEIW-AWEZNQCLSA-N 1 0 332.473 2.607 50 0 EFAARO COCCN1CCC[C@]2(CC[N@H+](Cc3ccccc3Cl)C2)C1=O ZINC000012443113 211384145 /nfs/dbraw/zinc/38/41/45/211384145.db2.gz WITOTSNCCXCZML-GOSISDBHSA-N 1 0 336.863 2.801 50 0 EFAARO COc1ccc(OC)c(COC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000012420188 211375193 /nfs/dbraw/zinc/37/51/93/211375193.db2.gz FACHZQKKZVGCFY-HLLBOEOZSA-N 1 0 337.460 2.559 50 0 EFAARO COC(=O)CCCC(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012386639 211365263 /nfs/dbraw/zinc/36/52/63/211365263.db2.gz IXLWNTWTWWZXGV-SFHVURJKSA-N 1 0 346.471 2.543 50 0 EFAARO C[C@@H](O)C[NH2+]Cc1ccc(OCc2ccc3c(c2)OCCO3)cc1 ZINC000012383518 211363676 /nfs/dbraw/zinc/36/36/76/211363676.db2.gz WAAVZSRHCGVNEU-CQSZACIVSA-N 1 0 329.396 2.507 50 0 EFAARO COc1cc(C[NH2+]C(C)C)ccc1Oc1nnnn1-c1ccccc1 ZINC000012382638 211363704 /nfs/dbraw/zinc/36/37/04/211363704.db2.gz SCHPUQYPSAMSAZ-UHFFFAOYSA-N 1 0 339.399 2.961 50 0 EFAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000012308104 211342771 /nfs/dbraw/zinc/34/27/71/211342771.db2.gz YITODVMWRVMZRP-HXUWFJFHSA-N 1 0 326.440 2.907 50 0 EFAARO O=C(CCC1CC[NH+](C2CSCCSC2)CC1)N1CCCC1 ZINC000012297187 211335394 /nfs/dbraw/zinc/33/53/94/211335394.db2.gz QDDSLKUJGQKRAF-UHFFFAOYSA-N 1 0 342.574 2.950 50 0 EFAARO COc1cccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2cccnc2)c1 ZINC000012243763 211330554 /nfs/dbraw/zinc/33/05/54/211330554.db2.gz NBSBPMGCUQLNLV-GOSISDBHSA-N 1 0 339.439 2.761 50 0 EFAARO Cc1cccc(CN2CCC[C@@](O)(C[NH+]3CCC(C)CC3)C2=O)c1 ZINC000012302573 211339436 /nfs/dbraw/zinc/33/94/36/211339436.db2.gz BHYIZBAYHKFACA-HXUWFJFHSA-N 1 0 330.472 2.580 50 0 EFAARO COc1ccc(CCN2C[C@H]([NH2+]Cc3cccc(F)c3)CC2=O)cc1 ZINC000012304219 211339222 /nfs/dbraw/zinc/33/92/22/211339222.db2.gz INCXPRNEMKZFNU-GOSISDBHSA-N 1 0 342.414 2.768 50 0 EFAARO COCCN1CCC[C@]2(CC[N@H+](Cc3cc4ccccc4o3)C2)C1=O ZINC000012297944 211336804 /nfs/dbraw/zinc/33/68/04/211336804.db2.gz JAVCPXSBBOXIRK-HXUWFJFHSA-N 1 0 342.439 2.894 50 0 EFAARO [NH3+]Cc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000090608964 217944276 /nfs/dbraw/zinc/94/42/76/217944276.db2.gz IUGOPUGMYSNRTE-UHFFFAOYSA-N 1 0 341.418 2.972 50 0 EFAARO CCN(CC)C(=O)c1cn(C2CC[NH+](Cc3ccsc3)CC2)nn1 ZINC000012155113 211309392 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Cc1c(C(=O)OC(C)C)sc2ncnc(NCCC[NH+](C)C)c12 ZINC000011990463 211276296 /nfs/dbraw/zinc/27/62/96/211276296.db2.gz FCVPIQYRJFLTSM-UHFFFAOYSA-N 1 0 336.461 2.929 50 0 EFAARO COCC[NH+]1CCC(CN2C[C@](C)(c3ccccc3)CCC2=O)CC1 ZINC000091381889 218000090 /nfs/dbraw/zinc/00/00/90/218000090.db2.gz ZXKWIHBMKMDMCM-OAQYLSRUSA-N 1 0 344.499 2.925 50 0 EFAARO CC(C)(C)C[N@@H+]1CCC[C@@H](n2cc(C(=O)N3CCCCC3)nn2)C1 ZINC000011976928 211275451 /nfs/dbraw/zinc/27/54/51/211275451.db2.gz YZNZFBBGJVEHEJ-OAHLLOKOSA-N 1 0 333.480 2.587 50 0 EFAARO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 ZINC000011954175 211274392 /nfs/dbraw/zinc/27/43/92/211274392.db2.gz IUZXVYWCWVFAFU-SJCJKPOMSA-N 1 0 329.444 2.688 50 0 EFAARO CCCN1CCC[C@]2(CC[N@H+](Cc3nc(-c4ccco4)no3)C2)C1=O ZINC000091433980 218004677 /nfs/dbraw/zinc/00/46/77/218004677.db2.gz JOKODQHLAIIJDE-GOSISDBHSA-N 1 0 344.415 2.554 50 0 EFAARO O=C(CCC1CC[NH+](Cc2cccc3nonc32)CC1)N1CCCC1 ZINC000011934589 211271250 /nfs/dbraw/zinc/27/12/50/211271250.db2.gz 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EFAARO CCC[C@@]1(CO)CCC[N@H+](Cc2cccc(N3CCOCC3)c2)C1 ZINC000091526453 218018293 /nfs/dbraw/zinc/01/82/93/218018293.db2.gz YFEHPCOFYOJZKE-HXUWFJFHSA-N 1 0 332.488 2.898 50 0 EFAARO COCC[C@]1(CO)CCC[N@H+](Cc2cc3c(cc2OC)CCC3)C1 ZINC000091585627 218024466 /nfs/dbraw/zinc/02/44/66/218024466.db2.gz YIDXYGKWFODPSM-HXUWFJFHSA-N 1 0 333.472 2.795 50 0 EFAARO CCCn1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)c(C)n1 ZINC000011843422 211255643 /nfs/dbraw/zinc/25/56/43/211255643.db2.gz SWGCZXZGIOLDJT-FQEVSTJZSA-N 1 0 344.503 2.940 50 0 EFAARO O=C(COc1cccc(F)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091603352 218030303 /nfs/dbraw/zinc/03/03/03/218030303.db2.gz HUWKFIVJFAMCQW-NVXWUHKLSA-N 1 0 332.419 2.537 50 0 EFAARO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCOCC2)C3=O)c1 ZINC000091713038 218052735 /nfs/dbraw/zinc/05/27/35/218052735.db2.gz RJNZPPJLCFSTHC-OAQYLSRUSA-N 1 0 342.483 2.989 50 0 EFAARO COCC[C@@]1(CO)CCC[N@@H+](C2CCN(c3ccccc3)CC2)C1 ZINC000091644332 218037703 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CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](CC2CCC2)CC1 ZINC000091746945 218058177 /nfs/dbraw/zinc/05/81/77/218058177.db2.gz LYZXSALNPKCZNG-UHFFFAOYSA-N 1 0 342.491 2.831 50 0 EFAARO Cc1ccc([C@@H](Cn2cc(-c3cnn(C(C)C)c3)nn2)[NH+](C)C)o1 ZINC000091754747 218059653 /nfs/dbraw/zinc/05/96/53/218059653.db2.gz RNSGONBHBYFYLS-MRXNPFEDSA-N 1 0 328.420 2.927 50 0 EFAARO c1cn(-c2ccc3c(c2)CCC3)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091780363 218065352 /nfs/dbraw/zinc/06/53/52/218065352.db2.gz USKOJQBEVBTLDY-UHFFFAOYSA-N 1 0 334.427 2.544 50 0 EFAARO Cc1cccc(N2C[C@H](C)N(Cc3ccc(CC[NH3+])cc3)CC2=O)c1 ZINC000091793983 218067236 /nfs/dbraw/zinc/06/72/36/218067236.db2.gz HOCOHYBBPGHPJX-KRWDZBQOSA-N 1 0 337.467 2.734 50 0 EFAARO OC[C@H]1CN(Cc2c(F)ccc(F)c2Cl)C[C@H]1C[NH+]1CCCC1 ZINC000091915150 218088089 /nfs/dbraw/zinc/08/80/89/218088089.db2.gz DPQKZTHIZVOTJE-CHWSQXEVSA-N 1 0 344.833 2.754 50 0 EFAARO Cc1ccc([C@H]2CN(C(=O)CCC(=O)c3ccccc3)C[C@@H]2[NH3+])o1 ZINC000091914685 218088272 /nfs/dbraw/zinc/08/82/72/218088272.db2.gz PZMYCJLCRXKDFV-HOTGVXAUSA-N 1 0 326.396 2.504 50 0 EFAARO Cc1cc(C[NH+]2CCC3(CCC(=O)N(C[C@H](C)O)C3)CC2)ccc1F ZINC000091931981 218090198 /nfs/dbraw/zinc/09/01/98/218090198.db2.gz MEHTYZMNSUTTBV-INIZCTEOSA-N 1 0 348.462 2.720 50 0 EFAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCCCc2nc3ccccc3n2C)C1 ZINC000091932376 218090513 /nfs/dbraw/zinc/09/05/13/218090513.db2.gz YDPHUMYVGVTUKX-FQEVSTJZSA-N 1 0 342.487 2.744 50 0 EFAARO Cc1cc(C(=O)N2CCC(c3nccn3CC[NH+](C)C)CC2)cs1 ZINC000091845381 218074650 /nfs/dbraw/zinc/07/46/50/218074650.db2.gz PVAQAWZLXMSNPS-UHFFFAOYSA-N 1 0 346.500 2.834 50 0 EFAARO Cn1c2ccccc2nc1C[N@@H+]1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 ZINC000091943520 218092257 /nfs/dbraw/zinc/09/22/57/218092257.db2.gz XYVXLCUGBYGDBT-INIZCTEOSA-N 1 0 348.450 2.737 50 0 EFAARO CCN1CC2(CCC1=O)CC[NH+](Cc1c(C)nc3ccccn31)CC2 ZINC000091860333 218079396 /nfs/dbraw/zinc/07/93/96/218079396.db2.gz UWBUHAMTLZMXAK-UHFFFAOYSA-N 1 0 340.471 2.867 50 0 EFAARO CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(C(=O)C3([NH3+])CC3)C2)cc1 ZINC000091872157 218080486 /nfs/dbraw/zinc/08/04/86/218080486.db2.gz BKPKBLUSIGFRHQ-OAHLLOKOSA-N 1 0 328.456 2.897 50 0 EFAARO O=C1CCC2(CCN([C@H]3CCC[NH2+]C3)CC2)CN1Cc1ccccc1 ZINC000091877045 218082914 /nfs/dbraw/zinc/08/29/14/218082914.db2.gz FZPHQZYXWHNQOP-IBGZPJMESA-N 1 0 341.499 2.643 50 0 EFAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000091906515 218087298 /nfs/dbraw/zinc/08/72/98/218087298.db2.gz NPVMYWDOJKISJJ-NVXWUHKLSA-N 1 0 342.439 2.918 50 0 EFAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccccc3)CC2)C[C@@]1(O)C1CCC1 ZINC000092022809 218105270 /nfs/dbraw/zinc/10/52/70/218105270.db2.gz QQLZAGLMIFPWOU-IERDGZPVSA-N 1 0 342.483 2.774 50 0 EFAARO COCC[C@]1(O)CC[N@H+](CCCOc2ccc(F)cc2)C[C@H]1C ZINC000091974127 218096964 /nfs/dbraw/zinc/09/69/64/218096964.db2.gz QMYWFOFAVITKCA-CRAIPNDOSA-N 1 0 325.424 2.704 50 0 EFAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C[C@H]1CCCO ZINC000092080389 218117297 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Cc1cccc(CS(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000010544106 211180566 /nfs/dbraw/zinc/18/05/66/211180566.db2.gz MQDBBNVZCOLONI-IAGOWNOFSA-N 1 0 338.517 2.782 50 0 EFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000010544124 211180699 /nfs/dbraw/zinc/18/06/99/211180699.db2.gz FAGMJSGZQOPNBM-GASCZTMLSA-N 1 0 342.480 2.613 50 0 EFAARO Oc1cccc(CN2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)c1 ZINC000092789480 218166880 /nfs/dbraw/zinc/16/68/80/218166880.db2.gz ZTLGZZCNNUCEEJ-UHFFFAOYSA-N 1 0 348.450 2.896 50 0 EFAARO Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000010018730 211140994 /nfs/dbraw/zinc/14/09/94/211140994.db2.gz QNBJYYYBTJKJMS-KRWDZBQOSA-N 1 0 330.403 2.932 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000095352505 218287394 /nfs/dbraw/zinc/28/73/94/218287394.db2.gz CQZHLNGPPZWVOA-INIZCTEOSA-N 1 0 344.434 2.604 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1Cn1cccn1 ZINC000095360403 218292784 /nfs/dbraw/zinc/29/27/84/218292784.db2.gz QOAWSSPRUJDHIQ-FQEVSTJZSA-N 1 0 341.455 2.943 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc3ccccc3n1)C2 ZINC000095360239 218293292 /nfs/dbraw/zinc/29/32/92/218293292.db2.gz KUTJFOWZNWXLGG-QFBILLFUSA-N 1 0 325.456 2.777 50 0 EFAARO CC(C)c1cc(NC2CCN(C(=O)C3CCCC3)CC2)nc(N)[nH+]1 ZINC000095354816 218288781 /nfs/dbraw/zinc/28/87/81/218288781.db2.gz RBTCQNHLRKSGTM-UHFFFAOYSA-N 1 0 331.464 2.775 50 0 EFAARO COCC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000095355752 218289167 /nfs/dbraw/zinc/28/91/67/218289167.db2.gz DNRUTMJUDXCUDR-LJQANCHMSA-N 1 0 342.483 2.894 50 0 EFAARO COCC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000095355753 218289220 /nfs/dbraw/zinc/28/92/20/218289220.db2.gz DNRUTMJUDXCUDR-IBGZPJMESA-N 1 0 342.483 2.894 50 0 EFAARO Cc1csc(CCNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)n1 ZINC000095359192 218291826 /nfs/dbraw/zinc/29/18/26/218291826.db2.gz PDXIQFQNSYJVMB-MRXNPFEDSA-N 1 0 329.469 2.891 50 0 EFAARO Nc1nc(CCCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)cs1 ZINC000095358782 218292413 /nfs/dbraw/zinc/29/24/13/218292413.db2.gz RYAUVUUXQAJFMK-HNNXBMFYSA-N 1 0 344.484 2.555 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1-n1ccnc1 ZINC000095366340 218298565 /nfs/dbraw/zinc/29/85/65/218298565.db2.gz ZOVITEIWTPXHOK-QGZVFWFLSA-N 1 0 326.444 2.753 50 0 EFAARO CCc1csc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)n1 ZINC000095366365 218298755 /nfs/dbraw/zinc/29/87/55/218298755.db2.gz HGAMGEDFNXKSKC-CYBMUJFWSA-N 1 0 333.457 2.827 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(c2ccc(Cl)cn2)C1 ZINC000095366292 218298854 /nfs/dbraw/zinc/29/88/54/218298854.db2.gz XZUCGUMFQZVRSO-AWEZNQCLSA-N 1 0 333.867 2.877 50 0 EFAARO CCCOCC[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC000095366562 218299583 /nfs/dbraw/zinc/29/95/83/218299583.db2.gz RJVCBHBFUUSTLG-GOSISDBHSA-N 1 0 330.472 2.894 50 0 EFAARO CN(Cc1nccn1Cc1ccccc1)C(=O)[C@H]1CCCCC[N@@H+]1C ZINC000095367277 218300505 /nfs/dbraw/zinc/30/05/05/218300505.db2.gz FRZQUVKWRDTGLP-GOSISDBHSA-N 1 0 340.471 2.764 50 0 EFAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCCn1cc(Cl)cn1 ZINC000095361238 218294328 /nfs/dbraw/zinc/29/43/28/218294328.db2.gz HZNHOSAPAKXASV-GOEBONIOSA-N 1 0 338.883 2.697 50 0 EFAARO CC[NH+]1CCC(CC(=O)N2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC000095362863 218295661 /nfs/dbraw/zinc/29/56/61/218295661.db2.gz OSLKYZLCJOIKQV-UHFFFAOYSA-N 1 0 347.478 2.986 50 0 EFAARO O=C(NCCN1CCc2ccccc21)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095363591 218297059 /nfs/dbraw/zinc/29/70/59/218297059.db2.gz ZZVJWGVQQJRONB-HXUWFJFHSA-N 1 0 349.478 2.946 50 0 EFAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NC[C@@H](O)c1ccccc1 ZINC000095364165 218297164 /nfs/dbraw/zinc/29/71/64/218297164.db2.gz JLQOBEVCZCXIET-QXAKKESOSA-N 1 0 330.472 2.881 50 0 EFAARO CSCc1nc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000095364574 218298286 /nfs/dbraw/zinc/29/82/86/218298286.db2.gz FYFSHXWUIQWKQD-ZDUSSCGKSA-N 1 0 327.519 2.887 50 0 EFAARO C[N@@H+]1CCC[C@H](CCC(=O)N2CCCN(c3ccccc3)CC2)C1 ZINC000095374864 218308100 /nfs/dbraw/zinc/30/81/00/218308100.db2.gz DFBBXPBSQXNNDF-GOSISDBHSA-N 1 0 329.488 2.847 50 0 EFAARO CCn1nc(C)c(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1C ZINC000095368814 218301171 /nfs/dbraw/zinc/30/11/71/218301171.db2.gz MAWPERPMFCZJKT-QGZVFWFLSA-N 1 0 346.519 2.833 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000095370660 218302776 /nfs/dbraw/zinc/30/27/76/218302776.db2.gz LBGTZQRJGPSZRP-SFHVURJKSA-N 1 0 330.472 2.761 50 0 EFAARO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)o1 ZINC000095371271 218304460 /nfs/dbraw/zinc/30/44/60/218304460.db2.gz BMJBQMZMKIYUET-INIZCTEOSA-N 1 0 334.445 2.562 50 0 EFAARO Cc1c[nH]c(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c(C)c1=O ZINC000095372473 218305422 /nfs/dbraw/zinc/30/54/22/218305422.db2.gz SPUMNCVJCSYGNQ-ZWKOTPCHSA-N 1 0 329.488 2.688 50 0 EFAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(CC(=O)NCc1ccccc1)C2 ZINC000095377962 218310623 /nfs/dbraw/zinc/31/06/23/218310623.db2.gz JOUZPMXHWLXJLK-VQTJNVASSA-N 1 0 341.499 2.665 50 0 EFAARO CC[C@@H]1CN(C(=O)c2nc3ccc(C)cn3c2F)CC[N@@H+]1C(C)C ZINC000095379695 218312308 /nfs/dbraw/zinc/31/23/08/218312308.db2.gz CLGMVOWXWZDJFP-CQSZACIVSA-N 1 0 332.423 2.727 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)c(C)c1)C2 ZINC000095379919 218312504 /nfs/dbraw/zinc/31/25/04/218312504.db2.gz VXUPTBYRLBLZHS-GDBMZVCRSA-N 1 0 336.863 2.831 50 0 EFAARO C[C@H]([NH2+]Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1)C1=CCCCC1 ZINC000095382760 218314995 /nfs/dbraw/zinc/31/49/95/218314995.db2.gz YNJUUGXUDJDJBZ-LBPRGKRZSA-N 1 0 325.412 2.606 50 0 EFAARO O=c1cc(C[NH2+]CCc2nc3c(s2)CCC3)[nH]c2ccc(F)cc12 ZINC000095387920 218319442 /nfs/dbraw/zinc/31/94/42/218319442.db2.gz XVKHRTZJGRUPKV-UHFFFAOYSA-N 1 0 343.427 2.945 50 0 EFAARO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)c1nncn1C1CCCC1 ZINC000095388361 218320560 /nfs/dbraw/zinc/32/05/60/218320560.db2.gz KIAUANXDVPBUMV-OAHLLOKOSA-N 1 0 333.480 2.837 50 0 EFAARO COc1cccc2c1OC[C@@H](C[NH2+]C1CSCCSC1)C2 ZINC000095392235 218323524 /nfs/dbraw/zinc/32/35/24/218323524.db2.gz IPCJHXIDRZZFEA-GFCCVEGCSA-N 1 0 325.499 2.685 50 0 EFAARO O=C(NCCCSCc1ccccc1F)[C@H]1CC12CC[NH2+]CC2 ZINC000096151684 218628168 /nfs/dbraw/zinc/62/81/68/218628168.db2.gz ZMMYVCUBNCSFBZ-OAHLLOKOSA-N 1 0 336.476 2.955 50 0 EFAARO O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000013331773 285011641 /nfs/dbraw/zinc/01/16/41/285011641.db2.gz OQCLBHXCBJNDDG-NBMJBFSESA-N 1 0 338.451 2.682 50 0 EFAARO COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1CCCC1 ZINC000005092026 210388879 /nfs/dbraw/zinc/38/88/79/210388879.db2.gz ILELAJOWQOFZHP-UHFFFAOYSA-N 1 0 333.363 2.518 50 0 EFAARO OCCn1nc(Cc2cccs2)nc1CC[NH+]1CCCCCCC1 ZINC000097301273 219010701 /nfs/dbraw/zinc/01/07/01/219010701.db2.gz NYKOWMLGQKEIGJ-UHFFFAOYSA-N 1 0 348.516 2.731 50 0 EFAARO C[NH+](C)C1(CNC(=O)Nc2ccc(Cl)c(F)c2)CCOCC1 ZINC000097307459 219011259 /nfs/dbraw/zinc/01/12/59/219011259.db2.gz UUMZBRYGBLHGGN-UHFFFAOYSA-N 1 0 329.803 2.711 50 0 EFAARO Cn1ccnc1C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000097244110 219004210 /nfs/dbraw/zinc/00/42/10/219004210.db2.gz VUJPDDJDSDTFAB-UHFFFAOYSA-N 1 0 326.444 2.502 50 0 EFAARO COc1cc(C[NH2+]CCO)cc(Br)c1OC1CCCC1 ZINC000004868146 210308871 /nfs/dbraw/zinc/30/88/71/210308871.db2.gz OONMNHWAPZCVML-UHFFFAOYSA-N 1 0 344.249 2.861 50 0 EFAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004859872 210305752 /nfs/dbraw/zinc/30/57/52/210305752.db2.gz JFKFPKNQDPWYHP-CHWSQXEVSA-N 1 0 343.427 2.871 50 0 EFAARO Cn1cnnc1C1CC[NH+](Cc2cc(F)ccc2-n2cccn2)CC1 ZINC000097360086 219014804 /nfs/dbraw/zinc/01/48/04/219014804.db2.gz RFRCQVIYYZQNPG-UHFFFAOYSA-N 1 0 340.406 2.520 50 0 EFAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+]C1CCCCCC1 ZINC000004839730 210295074 /nfs/dbraw/zinc/29/50/74/210295074.db2.gz LZVZXIOBKNRPDY-QGZVFWFLSA-N 1 0 335.444 2.950 50 0 EFAARO [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000097402490 219021964 /nfs/dbraw/zinc/02/19/64/219021964.db2.gz VGTVTGMXCUHQMK-WMZOPIPTSA-N 1 0 336.370 2.570 50 0 EFAARO CCCn1nc([C@H]2CCOC2)nc1C1CC[NH+](C2CCOCC2)CC1 ZINC000097413169 219022468 /nfs/dbraw/zinc/02/24/68/219022468.db2.gz ZPQADYHWUAQLMB-INIZCTEOSA-N 1 0 348.491 2.550 50 0 EFAARO Cc1cc(C)n(-c2cccc(C[N@H+]3C[C@H]4CC[C@@H](C3)N(C)C4=O)c2)n1 ZINC000097468457 219027309 /nfs/dbraw/zinc/02/73/09/219027309.db2.gz CHGWYRHZIXPCSX-MJGOQNOKSA-N 1 0 338.455 2.542 50 0 EFAARO CCN(CC[NH+]1CCCC1)C(=O)c1cc(-c2ccccc2)nn1C ZINC000097569015 219035666 /nfs/dbraw/zinc/03/56/66/219035666.db2.gz IKDLCTMOYIAWSG-UHFFFAOYSA-N 1 0 326.444 2.645 50 0 EFAARO Cn1c(CO)nnc1C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000097578647 219036169 /nfs/dbraw/zinc/03/61/69/219036169.db2.gz XWQWVHFTRRMAOZ-UHFFFAOYSA-N 1 0 342.468 2.902 50 0 EFAARO C[N@H+](CCNC(=O)c1cccc(-c2ncc[nH]2)c1)CCc1ccccc1 ZINC000097594957 219036888 /nfs/dbraw/zinc/03/68/88/219036888.db2.gz PABFBAJSSNKEQK-UHFFFAOYSA-N 1 0 348.450 2.981 50 0 EFAARO Cc1cccnc1C[C@@H](C)NC(=O)c1cc(Cl)ccc1OCC[NH3+] ZINC000426701606 257957605 /nfs/dbraw/zinc/95/76/05/257957605.db2.gz MTCVDQMYAPNQOP-CYBMUJFWSA-N 1 0 347.846 2.742 50 0 EFAARO Cc1c[nH+]ccc1NCCNC(=O)N1CCc2ccc(F)cc2[C@@H]1C ZINC000426701416 257958152 /nfs/dbraw/zinc/95/81/52/257958152.db2.gz MCOXSRXNTKAYGB-AWEZNQCLSA-N 1 0 342.418 2.692 50 0 EFAARO COc1ccc(OCCC[NH3+])c(C(=O)N2C[C@@H]3CC(C)=CC[C@@H]3C2)c1 ZINC000426662006 257959269 /nfs/dbraw/zinc/95/92/69/257959269.db2.gz KRULQKNVTPGGRQ-CVEARBPZSA-N 1 0 344.455 2.851 50 0 EFAARO COC(=O)c1ccccc1-c1ccc(C(=O)N[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000426533960 257964747 /nfs/dbraw/zinc/96/47/47/257964747.db2.gz FIHPJZHTWZZESR-CVEARBPZSA-N 1 0 338.407 2.750 50 0 EFAARO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)OCO3)cc1C ZINC000000119211 258047636 /nfs/dbraw/zinc/04/76/36/258047636.db2.gz KWOMMEBCIBZADL-INIZCTEOSA-N 1 0 329.396 2.562 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2cccc3cccnc32)C[C@H]1CCO ZINC000036385619 258003850 /nfs/dbraw/zinc/00/38/50/258003850.db2.gz DKTLINJHZYTANH-LJQANCHMSA-N 1 0 327.472 2.759 50 0 EFAARO COCCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000299779883 258089061 /nfs/dbraw/zinc/08/90/61/258089061.db2.gz QPRQTUORDQMUHO-CQSZACIVSA-N 1 0 330.432 2.648 50 0 EFAARO Cn1c(CNC(=O)c2ccc(C[NH+]3CCCC3)o2)nc2ccccc21 ZINC000299779258 258089126 /nfs/dbraw/zinc/08/91/26/258089126.db2.gz KLZONOZWYSSLIC-UHFFFAOYSA-N 1 0 338.411 2.692 50 0 EFAARO CCc1nc(C)sc1CNC(=O)c1ccc(OCCC[NH3+])cc1 ZINC000299780897 258089384 /nfs/dbraw/zinc/08/93/84/258089384.db2.gz CTGXEDQCYTZJOW-UHFFFAOYSA-N 1 0 333.457 2.672 50 0 EFAARO COc1ccc(OC)c2nc(N(C)C)c(C[NH2+]C[C@@H]3CCCO3)cc12 ZINC000299780824 258089733 /nfs/dbraw/zinc/08/97/33/258089733.db2.gz BOWIPTDHULRWGR-AWEZNQCLSA-N 1 0 345.443 2.587 50 0 EFAARO COCC1(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)CCC1 ZINC000299785345 258092390 /nfs/dbraw/zinc/09/23/90/258092390.db2.gz YBCIQDYCVJOEMR-UHFFFAOYSA-N 1 0 330.472 2.583 50 0 EFAARO COc1c(C)cc(NC(=O)NCCCOC2CC[NH+](C)CC2)cc1C ZINC000299787203 258093705 /nfs/dbraw/zinc/09/37/05/258093705.db2.gz PSWDXSZSRASOIY-UHFFFAOYSA-N 1 0 349.475 2.934 50 0 EFAARO Cc1cc(=O)[nH]c(C)c1C(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000299788524 258095124 /nfs/dbraw/zinc/09/51/24/258095124.db2.gz QMCJEGLWIJESFH-UHFFFAOYSA-N 1 0 331.460 2.885 50 0 EFAARO Cc1cc(CC(=O)NC[C@H](c2ccccc2F)[NH+]2CCCC2)on1 ZINC000299789693 258095489 /nfs/dbraw/zinc/09/54/89/258095489.db2.gz AFKYJWWTUVACON-QGZVFWFLSA-N 1 0 331.391 2.618 50 0 EFAARO Cc1cnn(Cc2cccc(C)c2)c1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000299791012 258096730 /nfs/dbraw/zinc/09/67/30/258096730.db2.gz CQVSGEDFLJGNAR-QGZVFWFLSA-N 1 0 341.459 2.812 50 0 EFAARO O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)N1CC(Oc2cccc(Cl)c2)C1 ZINC000299791009 258096903 /nfs/dbraw/zinc/09/69/03/258096903.db2.gz CKWCTIORKDWCHJ-HIFRSBDPSA-N 1 0 334.847 2.804 50 0 EFAARO COc1ccccc1OCc1nc2cccnc2n1C1CC[NH2+]CC1 ZINC000299792330 258097390 /nfs/dbraw/zinc/09/73/90/258097390.db2.gz FOSDVIVTCMGGHM-UHFFFAOYSA-N 1 0 338.411 2.943 50 0 EFAARO C[C@@H](CCC(=O)NCc1nc(C(C)(C)C)cs1)[NH+]1CCOCC1 ZINC000299793688 258098933 /nfs/dbraw/zinc/09/89/33/258098933.db2.gz HKNWLQAHBMHZRS-ZDUSSCGKSA-N 1 0 339.505 2.558 50 0 EFAARO COc1cccc(C(=O)N2C[C@@H]3CC(C)=CC[C@@H]3C2)c1OCCC[NH3+] ZINC000299794500 258098986 /nfs/dbraw/zinc/09/89/86/258098986.db2.gz JZBPOQGMUSSPTM-CVEARBPZSA-N 1 0 344.455 2.851 50 0 EFAARO C[C@H](Cc1cnccn1)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)o1 ZINC000299795605 258099895 /nfs/dbraw/zinc/09/98/95/258099895.db2.gz MJANKEGTKOUVEL-OAHLLOKOSA-N 1 0 342.443 2.663 50 0 EFAARO O=C(NC[C@@]1(O)CCC[NH2+]C1)Nc1ccccc1-c1ccccc1 ZINC000299795780 258100219 /nfs/dbraw/zinc/10/02/19/258100219.db2.gz MDPJPDFJIHNCET-LJQANCHMSA-N 1 0 325.412 2.590 50 0 EFAARO [NH3+]CCOc1ccc(CC(=O)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000299796150 258100404 /nfs/dbraw/zinc/10/04/04/258100404.db2.gz MLASZTCQSZFUCB-IBGZPJMESA-N 1 0 339.439 2.715 50 0 EFAARO CO[C@]12CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)[C@H]1C[C@@H](O)CC2 ZINC000299796388 258100614 /nfs/dbraw/zinc/10/06/14/258100614.db2.gz MQHBEUIRFLJXGJ-XKGZKEIXSA-N 1 0 331.456 2.904 50 0 EFAARO OC1(c2ccc3c(c2)C[NH2+]CCO3)CCN(c2ccccc2F)CC1 ZINC000299799395 258103009 /nfs/dbraw/zinc/10/30/09/258103009.db2.gz RIWNUKRJSUIJGM-UHFFFAOYSA-N 1 0 342.414 2.796 50 0 EFAARO CO[C@]12CC[N@H+](CCn3nc(C)cc3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299799117 258103065 /nfs/dbraw/zinc/10/30/65/258103065.db2.gz PRWRDOOZJTXMPS-HSALFYBXSA-N 1 0 347.503 2.939 50 0 EFAARO COc1ccc(C(=O)N[C@@H](C)c2ncccc2C)cc1OCCC[NH3+] ZINC000299801489 258104373 /nfs/dbraw/zinc/10/43/73/258104373.db2.gz YTNPCLWHKJCPPB-AWEZNQCLSA-N 1 0 343.427 2.617 50 0 EFAARO CC(C)(Oc1ccccc1)C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000299759581 258076799 /nfs/dbraw/zinc/07/67/99/258076799.db2.gz UUASILPJWOPDBV-UHFFFAOYSA-N 1 0 348.512 2.884 50 0 EFAARO Cc1[nH]c2c(cccc2C[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)c1C ZINC000299759628 258076996 /nfs/dbraw/zinc/07/69/96/258076996.db2.gz NRACQJQOOKLUBX-ROUUACIJSA-N 1 0 337.427 2.722 50 0 EFAARO Cc1n[nH]c(C)c1CCN1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000299760142 258077180 /nfs/dbraw/zinc/07/71/80/258077180.db2.gz SBBCBMGWDGDZFV-FQEVSTJZSA-N 1 0 338.499 2.744 50 0 EFAARO Cc1nnc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCCCCC3)c2)[nH]1 ZINC000299761604 258078449 /nfs/dbraw/zinc/07/84/49/258078449.db2.gz WUDUQWPMOJNPMT-CQSZACIVSA-N 1 0 341.459 2.980 50 0 EFAARO COCCn1c(C)cc2cc(NC(=O)NCC[NH+]3CCCC3)ccc21 ZINC000299765012 258080415 /nfs/dbraw/zinc/08/04/15/258080415.db2.gz YPOOBPOLMWVTNU-UHFFFAOYSA-N 1 0 344.459 2.813 50 0 EFAARO Cn1nc(C(=O)NC(C)(C)C[NH+]2CCCCCC2)c2ccccc21 ZINC000299765225 258080469 /nfs/dbraw/zinc/08/04/69/258080469.db2.gz KNDFWLBJLUPUTE-UHFFFAOYSA-N 1 0 328.460 2.958 50 0 EFAARO CO[C@]12CC[N@H+](Cc3c[nH]nc3C3CCCCC3)[C@H]1C[C@H](O)CC2 ZINC000299765974 258080987 /nfs/dbraw/zinc/08/09/87/258080987.db2.gz ACZCAQFQMAHWJH-ZIFCJYIRSA-N 1 0 333.476 2.962 50 0 EFAARO CCc1nccn1CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000299766894 258081208 /nfs/dbraw/zinc/08/12/08/258081208.db2.gz UOFQCZLURLEPOU-KRWDZBQOSA-N 1 0 344.434 2.538 50 0 EFAARO Cn1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c2ccccc21 ZINC000299767177 258082020 /nfs/dbraw/zinc/08/20/20/258082020.db2.gz GYBMLCMFNLJFBZ-UHFFFAOYSA-N 1 0 341.455 2.552 50 0 EFAARO Cc1cc(CC(=O)NC2CC[NH+](Cc3ccccc3Cl)CC2)on1 ZINC000299768392 258082883 /nfs/dbraw/zinc/08/28/83/258082883.db2.gz KLHXEUNFLUQTGY-UHFFFAOYSA-N 1 0 347.846 2.960 50 0 EFAARO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000035093004 132389726 /nfs/dbraw/zinc/38/97/26/132389726.db2.gz WERHEAMZFYEFSA-LZQZEXGQSA-N 1 0 336.451 2.514 50 0 EFAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=S)NC[C@@H]1CCCO1 ZINC000005050120 292355165 /nfs/dbraw/zinc/35/51/65/292355165.db2.gz WSCKMIBHIVCVOS-ZVZYQTTQSA-N 1 0 345.512 2.656 50 0 biogenic EFAARO COCC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000096000153 544558910 /nfs/dbraw/zinc/55/89/10/544558910.db2.gz OTDMAYVQQBKCLX-HNNXBMFYSA-N 1 0 334.464 2.754 50 0 EFAARO O=C(Cc1ccncc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000272348539 266236449 /nfs/dbraw/zinc/23/64/49/266236449.db2.gz BUPZRPUSANMYNZ-UHFFFAOYSA-N 1 0 335.451 2.673 50 0 EFAARO COC(=O)c1cc2oc3ccccc3c2n1C[C@H](O)C[NH+]1CCCC1 ZINC000006453119 274001088 /nfs/dbraw/zinc/00/10/88/274001088.db2.gz QUOWUJIXMZFZRW-CYBMUJFWSA-N 1 0 342.395 2.631 50 0 EFAARO COC(=O)c1cc2oc3ccccc3c2n1C[C@@H](O)C[NH+]1CCCC1 ZINC000002531954 274001222 /nfs/dbraw/zinc/00/12/22/274001222.db2.gz QUOWUJIXMZFZRW-ZDUSSCGKSA-N 1 0 342.395 2.631 50 0 EFAARO COc1ccc2[nH]cc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2c1 ZINC000001430149 274120766 /nfs/dbraw/zinc/12/07/66/274120766.db2.gz DCMZSUVXBFSDQK-MRXNPFEDSA-N 1 0 332.367 2.623 50 0 EFAARO O=c1cc(CN2CCC[N@@H+](C3CCCCC3)CC2)nc2ccccn12 ZINC000244678947 275043599 /nfs/dbraw/zinc/04/35/99/275043599.db2.gz IMWIDBFGMUUZDR-UHFFFAOYSA-N 1 0 340.471 2.535 50 0 EFAARO c1csc(N2CC[NH+](C[C@@H]3CCOc4ccccc4C3)CC2)n1 ZINC000095512327 275075041 /nfs/dbraw/zinc/07/50/41/275075041.db2.gz PHMJEQGQLMKWML-OAHLLOKOSA-N 1 0 329.469 2.907 50 0 EFAARO CC(C)c1cc(N2CCCO[C@H](C[NH+]3CCCC3)C2)n2nccc2n1 ZINC000072168309 276047167 /nfs/dbraw/zinc/04/71/67/276047167.db2.gz PWARWMKQFCIEPM-MRXNPFEDSA-N 1 0 343.475 2.544 50 0 EFAARO CC[N@H+](C)C[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@H]1CO ZINC000091645042 276073877 /nfs/dbraw/zinc/07/38/77/276073877.db2.gz XJMUSTQYKNOZCB-HUUCEWRRSA-N 1 0 330.394 2.697 50 0 EFAARO CC[NH+](CC)CCCN1C(=O)CS[C@@H]1c1ccc2c(c1)OCO2 ZINC000000182299 276096165 /nfs/dbraw/zinc/09/61/65/276096165.db2.gz QTXWWNASIXBEBM-QGZVFWFLSA-N 1 0 336.457 2.721 50 0 EFAARO CC[C@H](O)C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2)CC1 ZINC000067934870 276642322 /nfs/dbraw/zinc/64/23/22/276642322.db2.gz VZUNCGXJPXUVMT-KRWDZBQOSA-N 1 0 342.443 2.543 50 0 EFAARO C[N@@H+]1CCCC2(CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 ZINC000067833755 277042758 /nfs/dbraw/zinc/04/27/58/277042758.db2.gz YHITXBROHQNWCG-UHFFFAOYSA-N 1 0 334.435 2.929 50 0 EFAARO COC(=O)N1C[C@H]2[C@H](C[NH+]3CCC4(C=Cc5ccccc54)CC3)[C@H]2C1 ZINC000102208343 277335443 /nfs/dbraw/zinc/33/54/43/277335443.db2.gz PKROMGDORWELOT-NNZMDNLPSA-N 1 0 338.451 2.991 50 0 EFAARO C[C@@H](C1CCN(C(=O)CCCc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000072433902 277558325 /nfs/dbraw/zinc/55/83/25/277558325.db2.gz LFTKDLXSELEXRX-SFHVURJKSA-N 1 0 344.499 2.969 50 0 EFAARO Cc1ncc2c(c1CNC(=O)c1cc3c(s1)CCCC3)CC[NH2+]C2 ZINC000091563133 279158205 /nfs/dbraw/zinc/15/82/05/279158205.db2.gz DPGYPYXANGGTQQ-UHFFFAOYSA-N 1 0 341.480 2.906 50 0 EFAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)[C@@H](O)c1ccccc1F ZINC000216316288 279834845 /nfs/dbraw/zinc/83/48/45/279834845.db2.gz MZIAKVMBDOWDKQ-KRWDZBQOSA-N 1 0 334.435 2.774 50 0 EFAARO CCSCCC(=O)NCc1cc2n(n1)CCC[N@H+](CC(C)C)C2 ZINC000082156046 280035562 /nfs/dbraw/zinc/03/55/62/280035562.db2.gz KEEXVINTNMNFAS-UHFFFAOYSA-N 1 0 338.521 2.504 50 0 EFAARO Cc1cc2cc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+]3CCCC3)ccc2o1 ZINC000219265050 280694076 /nfs/dbraw/zinc/69/40/76/280694076.db2.gz UJTDUFZSLKXLLI-QXCFHYIPSA-N 1 0 340.423 2.723 50 0 EFAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)N2CCOCC2)cc1 ZINC000072153895 289224725 /nfs/dbraw/zinc/22/47/25/289224725.db2.gz BWAMYJIKJXQJPL-SFHVURJKSA-N 1 0 331.460 2.727 50 0 EFAARO CN(C)[C@H](C(=O)N(C)CC[N@H+](C)C1CCCC1)c1ccccc1F ZINC000095371924 289343619 /nfs/dbraw/zinc/34/36/19/289343619.db2.gz WTZWQSIARAMLFO-SFHVURJKSA-N 1 0 335.467 2.761 50 0 EFAARO C[NH+](C)[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000072158502 289368393 /nfs/dbraw/zinc/36/83/93/289368393.db2.gz GUDDYMFSFDGHQK-SFHVURJKSA-N 1 0 348.462 2.817 50 0 EFAARO Cc1c([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c2ccccc2n1C ZINC000001430184 300996002 /nfs/dbraw/zinc/99/60/02/300996002.db2.gz YBHNQXMURADGAP-QGZVFWFLSA-N 1 0 330.395 2.933 50 0 EFAARO Cc1nc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc2nncn21 ZINC000298904667 311033462 /nfs/dbraw/zinc/03/34/62/311033462.db2.gz OADQYIHSZRKJLT-HXUWFJFHSA-N 1 0 348.454 2.535 50 0 EFAARO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ncc3cc(Cl)ccn32)C1 ZINC000568777892 319318451 /nfs/dbraw/zinc/31/84/51/319318451.db2.gz KLCKUAOLOZNATJ-AWEZNQCLSA-N 1 0 346.862 2.792 50 0 EFAARO C[C@H]1Cc2cc(C[N@@H+]3CCCN(C(=O)C4CCC4)CC3)ccc2O1 ZINC000071315185 472549216 /nfs/dbraw/zinc/54/92/16/472549216.db2.gz QWXBJKXPLBWIKD-HNNXBMFYSA-N 1 0 328.456 2.844 50 0 EFAARO CCCc1nc(C)cc(N2CCC([N@@H+]3CCC[C@@H](O)CC3)CC2)n1 ZINC000095505331 473215695 /nfs/dbraw/zinc/21/56/95/473215695.db2.gz BXVLPXIFPDLKJQ-QGZVFWFLSA-N 1 0 332.492 2.553 50 0 EFAARO O=C(Cc1noc2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095500140 473214340 /nfs/dbraw/zinc/21/43/40/473214340.db2.gz DLLYWKBLFWNFPM-HZPDHXFCSA-N 1 0 339.439 2.703 50 0 EFAARO CCC[N@@H+]1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000095504031 473215765 /nfs/dbraw/zinc/21/57/65/473215765.db2.gz YMDJABCRMGJWIC-GOSISDBHSA-N 1 0 344.503 2.632 50 0 EFAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@H]2CCC[C@@]2(CO)C1 ZINC000095503894 473215324 /nfs/dbraw/zinc/21/53/24/473215324.db2.gz OAZQJTBBTUUPQU-CTNGQTDRSA-N 1 0 342.483 2.907 50 0 EFAARO CCC[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1NC(C)=O ZINC000095507656 473216952 /nfs/dbraw/zinc/21/69/52/473216952.db2.gz GIJASSYSFSPCBV-IEBWSBKVSA-N 1 0 326.444 2.609 50 0 EFAARO Cc1ccnc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c1 ZINC000095518006 473217577 /nfs/dbraw/zinc/21/75/77/473217577.db2.gz DUPUOWWPEUSRNH-QGZVFWFLSA-N 1 0 327.476 2.922 50 0 EFAARO Cn1ccnc1CN1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095516406 473217596 /nfs/dbraw/zinc/21/75/96/473217596.db2.gz XIIGRUGEKFJDET-VQTJNVASSA-N 1 0 338.499 2.949 50 0 EFAARO COc1ccc([C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]2[NH+](C)C)cc1 ZINC000095512232 473217844 /nfs/dbraw/zinc/21/78/44/473217844.db2.gz JDPUDBUJFCVNPH-ZWKOTPCHSA-N 1 0 344.480 2.855 50 0 EFAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2ncccc2F)C1 ZINC000095512714 473218089 /nfs/dbraw/zinc/21/80/89/473218089.db2.gz IAMBVESDPADCPE-OAHLLOKOSA-N 1 0 331.439 2.753 50 0 EFAARO COCCc1nc(CC[N@@H+]2C[C@@H]3CC[C@H]2C3)n(Cc2ccccc2)n1 ZINC000095517879 473218160 /nfs/dbraw/zinc/21/81/60/473218160.db2.gz OFUZODFBTMGKKW-MSOLQXFVSA-N 1 0 340.471 2.542 50 0 EFAARO O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)C1)N1CC(c2ccccn2)C1 ZINC000095515315 473218301 /nfs/dbraw/zinc/21/83/01/473218301.db2.gz UVYNIQOIGWLINF-GOSISDBHSA-N 1 0 335.451 2.887 50 0 EFAARO O[C@H]1CN(c2nccc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000095521429 473218789 /nfs/dbraw/zinc/21/87/89/473218789.db2.gz FDCBXKCZFKBHHT-LJQANCHMSA-N 1 0 333.435 2.918 50 0 EFAARO Cc1nn(C)c2nc(NC[C@@H]3Cc4ccccc4C[N@@H+]3C)sc12 ZINC000095520593 473219270 /nfs/dbraw/zinc/21/92/70/473219270.db2.gz VLBBFDPSYFYKBW-AWEZNQCLSA-N 1 0 327.457 2.807 50 0 EFAARO CCc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)on1 ZINC000095518473 473219298 /nfs/dbraw/zinc/21/92/98/473219298.db2.gz UTVONZXVMIKIPZ-AWEZNQCLSA-N 1 0 331.416 2.701 50 0 EFAARO CCCc1cnc(C)nc1N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000095521449 473219338 /nfs/dbraw/zinc/21/93/38/473219338.db2.gz FSYAHTYSFNHBHB-UHFFFAOYSA-N 1 0 325.460 2.891 50 0 EFAARO CCCc1cnc(C)nc1N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000095524978 473219726 /nfs/dbraw/zinc/21/97/26/473219726.db2.gz ZILDWGBNOIHTSH-UHFFFAOYSA-N 1 0 325.460 2.891 50 0 EFAARO CCc1nn(C)c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1C ZINC000095526910 473221101 /nfs/dbraw/zinc/22/11/01/473221101.db2.gz SSWONSSMWMIQQB-UHFFFAOYSA-N 1 0 333.480 2.773 50 0 EFAARO COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)c2c1 ZINC000095527952 473221371 /nfs/dbraw/zinc/22/13/71/473221371.db2.gz YHDFMEMEAUUPNU-MRXNPFEDSA-N 1 0 343.471 2.956 50 0 EFAARO CCN1CC2(CC1=O)CC[NH+](Cc1nc3ccccc3nc1C)CC2 ZINC000095531284 473221623 /nfs/dbraw/zinc/22/16/23/473221623.db2.gz USFIJORFQHXESA-UHFFFAOYSA-N 1 0 338.455 2.773 50 0 EFAARO Cc1cc(N2CCC([N@H+](C)C[C@@H]3CCOC3)CC2)nc(C(C)C)n1 ZINC000095531471 473222334 /nfs/dbraw/zinc/22/23/34/473222334.db2.gz NQWJYTXTPRVPPM-INIZCTEOSA-N 1 0 332.492 2.846 50 0 EFAARO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1cccc3c1OCCCO3)CC2 ZINC000095958129 473229935 /nfs/dbraw/zinc/22/99/35/473229935.db2.gz WTQMSVOALUAXRN-HNNXBMFYSA-N 1 0 342.443 2.667 50 0 EFAARO COc1ccc(OC[C@@H](O)C[NH2+]C2CCCCC2)c2c1C(=O)CCC2 ZINC000096028109 473257085 /nfs/dbraw/zinc/25/70/85/473257085.db2.gz GAZFPSNAMOMZDZ-HNNXBMFYSA-N 1 0 347.455 2.876 50 0 EFAARO COc1ccc(OC[C@H](O)C[NH2+]C2CCCCC2)c2c1C(=O)CCC2 ZINC000096028108 473257175 /nfs/dbraw/zinc/25/71/75/473257175.db2.gz GAZFPSNAMOMZDZ-OAHLLOKOSA-N 1 0 347.455 2.876 50 0 EFAARO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2cn(C)nn2)s1 ZINC000082039459 473285902 /nfs/dbraw/zinc/28/59/02/473285902.db2.gz ATTAZWWAEQJZQH-GFCCVEGCSA-N 1 0 333.461 2.922 50 0 EFAARO OC[C@H]1CCCC[N@@H+]1CCn1cc(-c2ccc3ccccc3c2)nn1 ZINC000082098540 473287055 /nfs/dbraw/zinc/28/70/55/473287055.db2.gz RJPFUKILMAIHCU-LJQANCHMSA-N 1 0 336.439 2.945 50 0 EFAARO CCCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)o1 ZINC000082097444 473287903 /nfs/dbraw/zinc/28/79/03/473287903.db2.gz JBNHFDFUKUTGAD-HXUWFJFHSA-N 1 0 348.487 2.819 50 0 EFAARO CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000082092597 473288040 /nfs/dbraw/zinc/28/80/40/473288040.db2.gz ULHJFTHTHIGHHP-KRWDZBQOSA-N 1 0 340.423 2.816 50 0 EFAARO COc1cccc(OC2CN(C(=O)C3([NH+]4CCCC4)CCCC3)C2)c1 ZINC000082097466 473288309 /nfs/dbraw/zinc/28/83/09/473288309.db2.gz DVUANFUJMCDRHK-UHFFFAOYSA-N 1 0 344.455 2.693 50 0 EFAARO CCn1c(CN2CCCC2)nnc1C1CCN(c2cc[nH+]cc2)CC1 ZINC000082106770 473288636 /nfs/dbraw/zinc/28/86/36/473288636.db2.gz ZKDUHEGRKCNXCB-UHFFFAOYSA-N 1 0 340.475 2.673 50 0 EFAARO CC(C)(C)CC[N@@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082107212 473289364 /nfs/dbraw/zinc/28/93/64/473289364.db2.gz YTAYXBAKXXZZCB-UHFFFAOYSA-N 1 0 332.492 2.941 50 0 EFAARO Cc1ccc(NC(=O)NCc2cc3n(n2)CC[N@@H+](CC(C)C)C3)cc1 ZINC000082120840 473292901 /nfs/dbraw/zinc/29/29/01/473292901.db2.gz NJSDCELZVSDNTD-UHFFFAOYSA-N 1 0 341.459 2.985 50 0 EFAARO Cc1nc(-c2ccc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)cc2)no1 ZINC000082146432 473295512 /nfs/dbraw/zinc/29/55/12/473295512.db2.gz OVDXKNWPAMCFJQ-QGZVFWFLSA-N 1 0 343.427 2.863 50 0 EFAARO Cc1cc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000082161126 473297066 /nfs/dbraw/zinc/29/70/66/473297066.db2.gz MWCBBUAELBUYMT-KRWDZBQOSA-N 1 0 348.454 2.996 50 0 EFAARO Cn1cnnc1CC1CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000082166929 473298197 /nfs/dbraw/zinc/29/81/97/473298197.db2.gz JAALQBHAQYCCCL-UHFFFAOYSA-N 1 0 348.834 2.652 50 0 EFAARO CCNc1nc(NCCNC(=O)c2cccc(Cl)c2)cc(C)[nH+]1 ZINC000082230459 473299577 /nfs/dbraw/zinc/29/95/77/473299577.db2.gz ATEDHVHIKSAQIJ-UHFFFAOYSA-N 1 0 333.823 2.712 50 0 EFAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccco2)n[nH]1 ZINC000096125606 473308369 /nfs/dbraw/zinc/30/83/69/473308369.db2.gz YSVKCYCPZSDEBP-CZUORRHYSA-N 1 0 328.416 2.664 50 0 EFAARO CCc1cnc(C)nc1N1CCC([NH2+]CCc2nc(C)cs2)CC1 ZINC000096133032 473310083 /nfs/dbraw/zinc/31/00/83/473310083.db2.gz MGJAWEQWTRTWAJ-UHFFFAOYSA-N 1 0 345.516 2.913 50 0 EFAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccc3ncn(C)c3c2)C1 ZINC000096133760 473310224 /nfs/dbraw/zinc/31/02/24/473310224.db2.gz REWXVQDWBLSDBJ-CYBMUJFWSA-N 1 0 327.432 2.664 50 0 EFAARO CC(C)n1cc(NC(=O)N2CCC[N@H+](Cc3cccs3)CC2)nn1 ZINC000096149391 473314847 /nfs/dbraw/zinc/31/48/47/473314847.db2.gz BYEOISWNQLKMLD-UHFFFAOYSA-N 1 0 348.476 2.660 50 0 EFAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2ccco2)CC1 ZINC000096135904 473310689 /nfs/dbraw/zinc/31/06/89/473310689.db2.gz QLUWOODTDCMBKP-UHFFFAOYSA-N 1 0 340.431 2.515 50 0 EFAARO Cc1cc(C)c(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c(Cl)c1 ZINC000096133769 473311377 /nfs/dbraw/zinc/31/13/77/473311377.db2.gz OUJDVGNJYWDMCY-CQSZACIVSA-N 1 0 339.867 2.925 50 0 EFAARO C[NH+]1CCC(Cc2nc(-c3ccc(Cl)s3)n(CCO)n2)CC1 ZINC000096148640 473315074 /nfs/dbraw/zinc/31/50/74/473315074.db2.gz ZKLGHCINGMJTMC-UHFFFAOYSA-N 1 0 340.880 2.537 50 0 EFAARO CC(=O)c1cc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cs1 ZINC000096166403 473320788 /nfs/dbraw/zinc/32/07/88/473320788.db2.gz LJIPTCUYXDFFFB-UHFFFAOYSA-N 1 0 338.498 2.604 50 0 EFAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3F)cc2)CC1 ZINC000000128573 471326456 /nfs/dbraw/zinc/32/64/56/471326456.db2.gz NWZNXDCZGNZSOL-UHFFFAOYSA-N 1 0 331.366 2.969 50 0 EFAARO O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000000154350 471329249 /nfs/dbraw/zinc/32/92/49/471329249.db2.gz NQBHDSLGAKITFX-UHFFFAOYSA-N 1 0 348.390 2.611 50 0 EFAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000000176502 471331867 /nfs/dbraw/zinc/33/18/67/471331867.db2.gz MJJOGCTVOKSCPH-ZDUSSCGKSA-N 1 0 338.835 2.944 50 0 EFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000000253832 471340311 /nfs/dbraw/zinc/34/03/11/471340311.db2.gz TUKIUTGWWSDEKX-CYBMUJFWSA-N 1 0 338.835 2.944 50 0 EFAARO Cc1nc2n(C)c3ccccc3n2c1C(=O)OCC[NH+]1CCCCC1 ZINC000000255157 471341505 /nfs/dbraw/zinc/34/15/05/471341505.db2.gz YIDOBZFFBDJLJS-UHFFFAOYSA-N 1 0 340.427 2.777 50 0 EFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000000254767 471341729 /nfs/dbraw/zinc/34/17/29/471341729.db2.gz KJXSQUDNJGJYFJ-MRXNPFEDSA-N 1 0 332.444 2.907 50 0 EFAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[NH+](CC)CC ZINC000000294040 471344086 /nfs/dbraw/zinc/34/40/86/471344086.db2.gz QTLGVGYYBPOPPZ-UHFFFAOYSA-N 1 0 347.415 2.634 50 0 EFAARO CCOc1ccccc1C[NH+]1CCC(C(=O)NC[C@H]2CCCO2)CC1 ZINC000000317500 471347007 /nfs/dbraw/zinc/34/70/07/471347007.db2.gz QBAKWMZJZBUHFM-GOSISDBHSA-N 1 0 346.471 2.593 50 0 EFAARO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cc(Cl)cc3[nH]cnc31)C2 ZINC000000385637 471353831 /nfs/dbraw/zinc/35/38/31/471353831.db2.gz LVGLJCZZCVSGFW-YHWZYXNKSA-N 1 0 332.835 2.961 50 0 EFAARO C[N@@H+]1CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000390426 471355114 /nfs/dbraw/zinc/35/51/14/471355114.db2.gz ZBEILXWHVSVDBN-SFHVURJKSA-N 1 0 325.408 2.560 50 0 EFAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH2+]C[C@@H]2CCCO2)CCCC1 ZINC000000571518 471373009 /nfs/dbraw/zinc/37/30/09/471373009.db2.gz PQWLICSTABIMFW-SJORKVTESA-N 1 0 342.483 2.958 50 0 EFAARO COc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000000802669 471375993 /nfs/dbraw/zinc/37/59/93/471375993.db2.gz KLBNXVLWTQWSLQ-UHFFFAOYSA-N 1 0 340.489 2.591 50 0 EFAARO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3)cc2)CC1 ZINC000000804953 471376149 /nfs/dbraw/zinc/37/61/49/471376149.db2.gz DHRVWPLPJZJVRQ-UHFFFAOYSA-N 1 0 339.439 2.846 50 0 EFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2c[nH]nc2-c2ccccc2)N1 ZINC000001425312 471391279 /nfs/dbraw/zinc/39/12/79/471391279.db2.gz JXLLKDVSVDJHDN-MRXNPFEDSA-N 1 0 329.367 2.523 50 0 EFAARO Cc1cc(=O)oc2cc(OC[C@@H](O)C[N@H+]3CCCC[C@@H]3C)ccc12 ZINC000001522272 471392466 /nfs/dbraw/zinc/39/24/66/471392466.db2.gz KYKUPUDMOQVOCQ-GJZGRUSLSA-N 1 0 331.412 2.716 50 0 EFAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)c(N)c2)CC1 ZINC000002505794 471410233 /nfs/dbraw/zinc/41/02/33/471410233.db2.gz FNLHWLHIFJNTQU-UHFFFAOYSA-N 1 0 344.846 2.926 50 0 EFAARO CCC[NH+]1CCN(C(=S)Nc2ccc(C(=O)OCC)cc2)CC1 ZINC000002852732 471425076 /nfs/dbraw/zinc/42/50/76/471425076.db2.gz DYWFTTDISXRUHG-UHFFFAOYSA-N 1 0 335.473 2.588 50 0 EFAARO C[NH+](C)CCCNC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000002890596 471427451 /nfs/dbraw/zinc/42/74/51/471427451.db2.gz FFCAQCZHMDCYAX-UHFFFAOYSA-N 1 0 343.210 2.781 50 0 EFAARO CC1CC[NH+](CC(=O)Nc2c3c(nc4ccccc42)N(C)CC3)CC1 ZINC000003117707 471433702 /nfs/dbraw/zinc/43/37/02/471433702.db2.gz WFDQGXWXZCBZME-UHFFFAOYSA-N 1 0 338.455 2.898 50 0 EFAARO CCOc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000003219955 471436402 /nfs/dbraw/zinc/43/64/02/471436402.db2.gz MOOQJTURCNUBDA-INIZCTEOSA-N 1 0 337.383 2.540 50 0 EFAARO C[NH+]1CCN(c2ncnc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000004888959 471477725 /nfs/dbraw/zinc/47/77/25/471477725.db2.gz GKJGIVJSYGSDDG-UHFFFAOYSA-N 1 0 346.232 2.625 50 0 EFAARO O=C1C[C@@H]([C@@H]2CCCC=C2[NH+]2CCOCC2)C(=O)N1C1CCCCC1 ZINC000005015733 471483136 /nfs/dbraw/zinc/48/31/36/471483136.db2.gz MXERHNYIYPIRJW-IRXDYDNUSA-N 1 0 346.471 2.710 50 0 EFAARO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000005175803 471489402 /nfs/dbraw/zinc/48/94/02/471489402.db2.gz PWXYQOTYILMGHN-UHFFFAOYSA-N 1 0 330.453 2.630 50 0 EFAARO CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000005194973 471491843 /nfs/dbraw/zinc/49/18/43/471491843.db2.gz KSJNUDIQTVTYMP-UHFFFAOYSA-N 1 0 329.396 2.877 50 0 biogenic EFAARO CCCc1cc(N2CC[NH+](C)CC2)n2nc3nc(C)cc(C)c3c2n1 ZINC000005346147 471501587 /nfs/dbraw/zinc/50/15/87/471501587.db2.gz NOYWSCSRSNWTQC-UHFFFAOYSA-N 1 0 338.459 2.599 50 0 EFAARO Cc1cc(C)n(-c2cc(OCC[NH+](C)C)nc(-c3ccccc3)n2)n1 ZINC000005423984 471504523 /nfs/dbraw/zinc/50/45/23/471504523.db2.gz IGPDFYMQGUVOEE-UHFFFAOYSA-N 1 0 337.427 2.887 50 0 EFAARO FC(F)Oc1ccc(C[NH2+]Cc2cccnc2N2CCOCC2)cc1 ZINC000012430231 471774932 /nfs/dbraw/zinc/77/49/32/471774932.db2.gz GMZGBLLSNPTAIE-UHFFFAOYSA-N 1 0 349.381 2.809 50 0 EFAARO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1coc(COc2ccc(F)cc2)n1 ZINC000012571573 471782501 /nfs/dbraw/zinc/78/25/01/471782501.db2.gz SXEZPMMBSHGQFH-CQSZACIVSA-N 1 0 347.390 2.559 50 0 EFAARO CC[NH+](CC)CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000012580728 471783554 /nfs/dbraw/zinc/78/35/54/471783554.db2.gz NMGVKGIASCLFHD-KRWDZBQOSA-N 1 0 335.467 2.590 50 0 EFAARO CC(C)(C)CN1CCC[C@@](O)(C[NH2+]Cc2cccc3[nH]ccc32)C1=O ZINC000012597273 471785428 /nfs/dbraw/zinc/78/54/28/471785428.db2.gz UMQAWTREGYKHEX-HXUWFJFHSA-N 1 0 343.471 2.657 50 0 EFAARO Cc1nnsc1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000012762507 471793996 /nfs/dbraw/zinc/79/39/96/471793996.db2.gz RMZYRMQLPVVICF-OAHLLOKOSA-N 1 0 330.457 2.583 50 0 EFAARO CC1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000012754115 471794209 /nfs/dbraw/zinc/79/42/09/471794209.db2.gz AOLKGGJJXNLFON-SFHVURJKSA-N 1 0 344.503 2.922 50 0 EFAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1cc(C2CC2)on1 ZINC000012836251 471800427 /nfs/dbraw/zinc/80/04/27/471800427.db2.gz QDVFAUQXUGXUCE-KRWDZBQOSA-N 1 0 339.439 2.989 50 0 EFAARO Cc1ocnc1C(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012836911 471800437 /nfs/dbraw/zinc/80/04/37/471800437.db2.gz IIQHJUWWWUTVBC-QGZVFWFLSA-N 1 0 327.428 2.810 50 0 EFAARO O=C(c1ccc2c(c1)OCCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000013326416 471826793 /nfs/dbraw/zinc/82/67/93/471826793.db2.gz CJLWBYZFAGCVMC-UHFFFAOYSA-N 1 0 330.428 2.548 50 0 EFAARO CC(C)(C)OC(=O)NCCCN(CCCC[NH3+])C(=O)OC(C)(C)C ZINC000013550514 471832373 /nfs/dbraw/zinc/83/23/73/471832373.db2.gz GQZZMJDEWJRWRP-UHFFFAOYSA-N 1 0 345.484 2.877 50 0 EFAARO COc1ccc(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000013624311 471835222 /nfs/dbraw/zinc/83/52/22/471835222.db2.gz RFLFVCAXDFBCLJ-KRWDZBQOSA-N 1 0 328.412 2.784 50 0 EFAARO CC[NH+]1CCC2(CC1)OCCN2C(=O)c1cc(-c2ccccc2)on1 ZINC000013692772 471838658 /nfs/dbraw/zinc/83/86/58/471838658.db2.gz KFYICQJDGGBIGP-UHFFFAOYSA-N 1 0 341.411 2.626 50 0 EFAARO O=C1OCC[C@@H]2[C@H]1[C@@H]1CCC[N@@H+]1C21CCN(Cc2ccccc2)CC1 ZINC000014944192 471882461 /nfs/dbraw/zinc/88/24/61/471882461.db2.gz QTWXGPYSKRWGJN-QYZOEREBSA-N 1 0 340.467 2.679 50 0 EFAARO COc1ccc(C[NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 ZINC000014966560 471882535 /nfs/dbraw/zinc/88/25/35/471882535.db2.gz OYYGODPEOPUCHV-GOSISDBHSA-N 1 0 342.414 2.768 50 0 EFAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000015066644 471887802 /nfs/dbraw/zinc/88/78/02/471887802.db2.gz OMUXDFIEEMOVLP-AWEZNQCLSA-N 1 0 347.488 2.659 50 0 EFAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](CCO)CC1 ZINC000015063414 471887899 /nfs/dbraw/zinc/88/78/99/471887899.db2.gz BJGLWOAGSRJLKJ-UHFFFAOYSA-N 1 0 325.836 2.520 50 0 EFAARO C[N@H+](C[C@@]1(O)CCCN(CCc2ccccc2)C1=O)C1CCCCC1 ZINC000015066790 471888069 /nfs/dbraw/zinc/88/80/69/471888069.db2.gz IPQDPQAHXGLQMC-NRFANRHFSA-N 1 0 344.499 2.847 50 0 EFAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000015064134 471888129 /nfs/dbraw/zinc/88/81/29/471888129.db2.gz QABXXTNAPXVBCE-HXUWFJFHSA-N 1 0 341.455 2.808 50 0 EFAARO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]Cc3ccccc3)C2=O)c1 ZINC000015076885 471888969 /nfs/dbraw/zinc/88/89/69/471888969.db2.gz RMUZGRUWPVLVFZ-OAQYLSRUSA-N 1 0 338.451 2.638 50 0 EFAARO O=C1N(CC2CCC2)CCC[C@]1(O)C[NH2+]Cc1ccccc1Cl ZINC000015074464 471889291 /nfs/dbraw/zinc/88/92/91/471889291.db2.gz BOQOGOHHNLURFM-SFHVURJKSA-N 1 0 336.863 2.583 50 0 EFAARO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH2+]C1CCCCC1 ZINC000015076290 471889304 /nfs/dbraw/zinc/88/93/04/471889304.db2.gz QBASEYLTPGJZNT-HXUWFJFHSA-N 1 0 330.472 2.505 50 0 EFAARO Cc1ccccc1OCC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000015831628 471918563 /nfs/dbraw/zinc/91/85/63/471918563.db2.gz DCTHFCRQDHZBCG-MRXNPFEDSA-N 1 0 328.412 2.920 50 0 EFAARO O[C@@H](COC1CCCCC1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016578905 471941181 /nfs/dbraw/zinc/94/11/81/471941181.db2.gz FRIXBUCBGTXTIE-GOSISDBHSA-N 1 0 336.451 2.658 50 0 EFAARO CCC[NH+]1CCC(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)CC1 ZINC000016604037 471943859 /nfs/dbraw/zinc/94/38/59/471943859.db2.gz AKLLCLRJVHSINS-SFHVURJKSA-N 1 0 334.460 2.843 50 0 EFAARO COc1ccccc1OCC[NH2+]CC(=O)NCc1ccccc1Cl ZINC000016695441 471947997 /nfs/dbraw/zinc/94/79/97/471947997.db2.gz LBUDUHFNTYECDY-UHFFFAOYSA-N 1 0 348.830 2.633 50 0 EFAARO CCCCS(=O)(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017071304 471955010 /nfs/dbraw/zinc/95/50/10/471955010.db2.gz PDQXEPMRGZMFGY-UHFFFAOYSA-N 1 0 340.533 2.703 50 0 EFAARO COc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000018148536 471970373 /nfs/dbraw/zinc/97/03/73/471970373.db2.gz XAYVDXYJOCYBLG-INIZCTEOSA-N 1 0 344.798 2.770 50 0 EFAARO C[C@@H]1C[NH+](C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 ZINC000020726021 471992206 /nfs/dbraw/zinc/99/22/06/471992206.db2.gz FBOZRYQGULRQCH-GMGOFACGSA-N 1 0 337.504 2.690 50 0 EFAARO CC(=O)c1cccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c1 ZINC000036385734 472001524 /nfs/dbraw/zinc/00/15/24/472001524.db2.gz UWPRIKQULIUDOH-HXUWFJFHSA-N 1 0 330.472 2.700 50 0 EFAARO C[NH+]1CCN(CCOCCOc2cc(Cl)ccc2Cl)CC1 ZINC000022171340 472010754 /nfs/dbraw/zinc/01/07/54/472010754.db2.gz IMVBFUPPLNLMLB-UHFFFAOYSA-N 1 0 333.259 2.636 50 0 EFAARO Cc1cc(Cl)c(OCCOCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000022171348 472010849 /nfs/dbraw/zinc/01/08/49/472010849.db2.gz OXQKTTLCYBEBSF-UHFFFAOYSA-N 1 0 347.286 2.945 50 0 EFAARO NC(=[NH2+])c1ccc(-n2cc(Br)cn2)cc1C(F)(F)F ZINC000038054392 472017233 /nfs/dbraw/zinc/01/72/33/472017233.db2.gz VTSPPJKTEDBJEI-UHFFFAOYSA-N 1 0 333.111 2.938 50 0 EFAARO COc1cc2[nH+]c(N3CCC[C@@H](CO)C3)cc(C)c2c(OC)c1OC ZINC000023550179 472035259 /nfs/dbraw/zinc/03/52/59/472035259.db2.gz NQFRKZRYVGMUQE-CYBMUJFWSA-N 1 0 346.427 2.778 50 0 EFAARO COC[C@@H]([NH2+]C1CCN(c2cccc(C)c2C)CC1)c1ccnn1C ZINC000067605897 472057996 /nfs/dbraw/zinc/05/79/96/472057996.db2.gz YNQKFTRSTXCZEJ-GOSISDBHSA-N 1 0 342.487 2.983 50 0 EFAARO Cc1cncc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3F)C2)c1 ZINC000067642935 472064265 /nfs/dbraw/zinc/06/42/65/472064265.db2.gz FPPNVXITJQFVAJ-OAHLLOKOSA-N 1 0 327.403 2.781 50 0 EFAARO CCN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000024936392 472073848 /nfs/dbraw/zinc/07/38/48/472073848.db2.gz OMRMLYXXFRJZKD-QGZVFWFLSA-N 1 0 337.467 2.793 50 0 EFAARO CC[C@@H](O)C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2)CC1 ZINC000067934871 472111701 /nfs/dbraw/zinc/11/17/01/472111701.db2.gz VZUNCGXJPXUVMT-QGZVFWFLSA-N 1 0 342.443 2.543 50 0 EFAARO C[NH+]1CCN([C@H](CNC(=O)c2ccco2)c2ccc(Cl)cc2)CC1 ZINC000028287481 472222020 /nfs/dbraw/zinc/22/20/20/472222020.db2.gz XQOLYOQIXJRGCQ-MRXNPFEDSA-N 1 0 347.846 2.652 50 0 EFAARO CC(C)(C)OC(=O)NCCCCN(CCC[NH3+])C(=O)OC(C)(C)C ZINC000044122467 472285879 /nfs/dbraw/zinc/28/58/79/472285879.db2.gz AGIUPQUTLBAVDK-UHFFFAOYSA-N 1 0 345.484 2.877 50 0 EFAARO COc1ccccc1OCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000069416140 472336905 /nfs/dbraw/zinc/33/69/05/472336905.db2.gz FPTBZTCFNBNTSR-MRXNPFEDSA-N 1 0 327.428 2.903 50 0 EFAARO C[NH+]1CCC(CNC(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000069463808 472349847 /nfs/dbraw/zinc/34/98/47/472349847.db2.gz SZQWKEGAKUOQON-UHFFFAOYSA-N 1 0 333.379 2.765 50 0 EFAARO O=C([C@@H]1CCCO1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069520923 472362608 /nfs/dbraw/zinc/36/26/08/472362608.db2.gz PEQFSIVACLVVNV-QYZOEREBSA-N 1 0 328.456 2.821 50 0 EFAARO O=C(COc1ccc(Cl)cc1)NCCc1[nH+]cc2ccccn21 ZINC000031773112 472393415 /nfs/dbraw/zinc/39/34/15/472393415.db2.gz UEWPIFNAMIIOLK-UHFFFAOYSA-N 1 0 329.787 2.725 50 0 EFAARO CC(C)c1ccc(S(=O)(=O)NCCc2[nH+]cc3ccccn32)cc1 ZINC000031773163 472393798 /nfs/dbraw/zinc/39/37/98/472393798.db2.gz GHQUDGUIMIQKAD-UHFFFAOYSA-N 1 0 343.452 2.979 50 0 EFAARO O=C(CC1CC[NH2+]CC1)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000097076546 472431633 /nfs/dbraw/zinc/43/16/33/472431633.db2.gz VZGZBFWDDDVGPJ-LEWJYISDSA-N 1 0 338.451 2.967 50 0 EFAARO O=C(NC[C@H]1C[NH2+]CCOC1)Nc1cccc(-c2ccc(F)cc2)c1 ZINC000097156070 472466629 /nfs/dbraw/zinc/46/66/29/472466629.db2.gz BESNFFVKMIHKKX-CQSZACIVSA-N 1 0 343.402 2.850 50 0 EFAARO Cn1cc(C[NH2+]C[C@@H]2COc3ccccc3C2)c(-c2ccncc2)n1 ZINC000097159782 472467372 /nfs/dbraw/zinc/46/73/72/472467372.db2.gz BQXPBUGLTVHQHF-OAHLLOKOSA-N 1 0 334.423 2.823 50 0 EFAARO CCn1cc(C2CC[NH+](C[C@H](O)COCc3cccs3)CC2)cn1 ZINC000097200434 472476110 /nfs/dbraw/zinc/47/61/10/472476110.db2.gz OXHQKNDBSFWVQR-KRWDZBQOSA-N 1 0 349.500 2.722 50 0 EFAARO COc1ccc(C)cc1[C@@H](O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200708 472477472 /nfs/dbraw/zinc/47/74/72/472477472.db2.gz URJFYLVZTGSTDM-AEFFLSMTSA-N 1 0 341.455 2.866 50 0 EFAARO Cc1cn2nc(N3CC[C@@H](CNc4cccc(C)[nH+]4)C3)sc2n1 ZINC000097201005 472477533 /nfs/dbraw/zinc/47/75/33/472477533.db2.gz BLZMJJMUZWWCGT-ZDUSSCGKSA-N 1 0 328.445 2.741 50 0 EFAARO CC(=O)Nc1nc(CN2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)cs1 ZINC000097200719 472478618 /nfs/dbraw/zinc/47/86/18/472478618.db2.gz URIVREOPXLQSIT-AWEZNQCLSA-N 1 0 345.472 2.739 50 0 EFAARO CSCC[C@H]([NH3+])C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 ZINC000077285246 472493926 /nfs/dbraw/zinc/49/39/26/472493926.db2.gz QUWSTIACCNUBRE-HNNXBMFYSA-N 1 0 342.892 2.790 50 0 EFAARO C/C=C/C[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077298785 472496350 /nfs/dbraw/zinc/49/63/50/472496350.db2.gz XWNTYTUGSDKLSV-GNAXCBTBSA-N 1 0 328.460 2.566 50 0 EFAARO Cc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2[NH+](C)C)cc1 ZINC000077298557 472496413 /nfs/dbraw/zinc/49/64/13/472496413.db2.gz YLLASDGEXWLBSW-RBUKOAKNSA-N 1 0 344.480 2.713 50 0 EFAARO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCN1CCCc2ccccc21 ZINC000097553419 472499640 /nfs/dbraw/zinc/49/96/40/472499640.db2.gz DILRHAGTBCJDSS-LJQANCHMSA-N 1 0 329.488 2.820 50 0 EFAARO CC[N@@H+]1CCCC[C@H]1C(=O)NCCCN1CCCc2ccccc21 ZINC000097553420 472499926 /nfs/dbraw/zinc/49/99/26/472499926.db2.gz DILRHAGTBCJDSS-IBGZPJMESA-N 1 0 329.488 2.820 50 0 EFAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000097546627 472500224 /nfs/dbraw/zinc/50/02/24/472500224.db2.gz OUEKCHKKEBEQPP-CQSZACIVSA-N 1 0 344.377 2.821 50 0 EFAARO COc1ccc(/C=C/CN2CC[C@](O)(C[NH+]3CCCCC3)C2)cc1 ZINC000077321884 472503470 /nfs/dbraw/zinc/50/34/70/472503470.db2.gz VMILAHHDVGRYFC-XJDXJNMNSA-N 1 0 330.472 2.631 50 0 EFAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1[nH]cc(C)c(=O)c1C ZINC000077337413 472506572 /nfs/dbraw/zinc/50/65/72/472506572.db2.gz TUKRKBYBFRUHMR-KRWDZBQOSA-N 1 0 328.460 2.941 50 0 EFAARO Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)c1 ZINC000077342943 472507084 /nfs/dbraw/zinc/50/70/84/472507084.db2.gz WQRICAIZHCQOQM-KRWDZBQOSA-N 1 0 338.455 2.701 50 0 EFAARO Cc1ccc([C@@H]2CN(C(=O)c3cccc4ccnn43)C[C@H]2[NH+](C)C)cc1 ZINC000077338949 472507314 /nfs/dbraw/zinc/50/73/14/472507314.db2.gz PAKRVLZYVNCMND-AZUAARDMSA-N 1 0 348.450 2.813 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N(CC)C[C@@H](O)c2cccc(O)c2)CC1 ZINC000097805640 472508462 /nfs/dbraw/zinc/50/84/62/472508462.db2.gz DICFRMWZFHOFCI-LJQANCHMSA-N 1 0 348.487 2.786 50 0 EFAARO COc1nc(C)c(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)s1 ZINC000077378375 472515450 /nfs/dbraw/zinc/51/54/50/472515450.db2.gz ICFAJFDVBRKGQB-UHFFFAOYSA-N 1 0 337.489 2.941 50 0 EFAARO O=C(c1ccc(F)c(Cl)c1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077379926 472517270 /nfs/dbraw/zinc/51/72/70/472517270.db2.gz KURCLBQIPPEYDA-KRWDZBQOSA-N 1 0 340.826 2.542 50 0 EFAARO Cn1ccnc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000077389089 472518806 /nfs/dbraw/zinc/51/88/06/472518806.db2.gz AUMBZQRGMAGJEO-QGZVFWFLSA-N 1 0 349.438 2.701 50 0 EFAARO c1nc(N2CCCC2)ncc1CN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000077408284 472521858 /nfs/dbraw/zinc/52/18/58/472521858.db2.gz SEUUOJBAQYKDNG-SFHVURJKSA-N 1 0 343.519 2.775 50 0 EFAARO CCCc1nnsc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928522 472524982 /nfs/dbraw/zinc/52/49/82/472524982.db2.gz VZNAERULRUCKAF-UHFFFAOYSA-N 1 0 345.472 2.532 50 0 EFAARO O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(Cl)c3)C2)CN1CCO ZINC000077438814 472527130 /nfs/dbraw/zinc/52/71/30/472527130.db2.gz YCCKORRBRLTUCL-GOSISDBHSA-N 1 0 336.863 2.537 50 0 EFAARO O[C@@]1(C[NH+]2CCCC2)CCCN(Cc2ccc3cccc(F)c3n2)C1 ZINC000077457897 472531003 /nfs/dbraw/zinc/53/10/03/472531003.db2.gz LDHMDKJNQCRLPF-HXUWFJFHSA-N 1 0 343.446 2.797 50 0 EFAARO O[C@@]1(C[NH+]2CCCC2)CCCN(Cc2cccc(OC(F)F)c2)C1 ZINC000077485528 472535951 /nfs/dbraw/zinc/53/59/51/472535951.db2.gz NVNVGLSQGLRMKA-GOSISDBHSA-N 1 0 340.414 2.711 50 0 EFAARO OCCn1nccc1C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000058298957 472540166 /nfs/dbraw/zinc/54/01/66/472540166.db2.gz VSXVAAROBMQDMX-UHFFFAOYSA-N 1 0 347.434 2.663 50 0 EFAARO O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000077505043 472541076 /nfs/dbraw/zinc/54/10/76/472541076.db2.gz DCXHUGNPBRKBPA-HXUWFJFHSA-N 1 0 346.519 2.565 50 0 EFAARO O=C(C1CC[NH+](C2CCOCC2)CC1)N1CCC[C@@H]1c1ccccn1 ZINC000077517507 472544793 /nfs/dbraw/zinc/54/47/93/472544793.db2.gz XIIHCCYWSVRBOX-LJQANCHMSA-N 1 0 343.471 2.636 50 0 EFAARO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2ccccc2OC(F)F)C1 ZINC000077524047 472545648 /nfs/dbraw/zinc/54/56/48/472545648.db2.gz OTFJXBUMDQFYBN-SFHVURJKSA-N 1 0 340.414 2.711 50 0 EFAARO Cc1c(C[N@@H+]2CC[C@@H](CNC(=O)c3cnccn3)C2)[nH]c2ccccc12 ZINC000071278745 472546149 /nfs/dbraw/zinc/54/61/49/472546149.db2.gz XIKOEBJCSKBXKI-HNNXBMFYSA-N 1 0 349.438 2.518 50 0 EFAARO c1cncc(COC2CC[NH+]([C@@H]3CCOC4(CCOCC4)C3)CC2)c1 ZINC000077522098 472546397 /nfs/dbraw/zinc/54/63/97/472546397.db2.gz ZYQJWFWWJCOQAE-GOSISDBHSA-N 1 0 346.471 2.791 50 0 EFAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](CCC(N)=O)C3)ccc2c1 ZINC000071404085 472550794 /nfs/dbraw/zinc/55/07/94/472550794.db2.gz YUIQEDKWETWIMT-KRWDZBQOSA-N 1 0 340.423 2.619 50 0 EFAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc2nccnc2c1 ZINC000077541867 472551063 /nfs/dbraw/zinc/55/10/63/472551063.db2.gz CKDQNMKPUQAAAC-GOSISDBHSA-N 1 0 346.434 2.759 50 0 EFAARO CN(C)c1cncc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)n1 ZINC000071681862 472555079 /nfs/dbraw/zinc/55/50/79/472555079.db2.gz WXHCHFQLECOEEK-INIZCTEOSA-N 1 0 326.444 2.990 50 0 EFAARO CCNC(=O)CC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071730355 472556200 /nfs/dbraw/zinc/55/62/00/472556200.db2.gz MAGOHTCSJLHUAP-IBGZPJMESA-N 1 0 349.494 2.884 50 0 EFAARO CNC(=O)[C@H]1CC[N@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000071736086 472556549 /nfs/dbraw/zinc/55/65/49/472556549.db2.gz KWCAWBQWCUPWMA-ZDUSSCGKSA-N 1 0 333.819 2.871 50 0 EFAARO O=C1CCCN1C1CC[NH+](Cc2c[nH]c3cc(=O)ccc-3c2)CC1 ZINC000071747444 472558128 /nfs/dbraw/zinc/55/81/28/472558128.db2.gz ZMOOQOXSDXOYIU-UHFFFAOYSA-N 1 0 325.412 2.527 50 0 EFAARO CC(C)[C@@H]1CN(C(=O)c2cn3ccsc3n2)CCC[N@@H+]1CC1CC1 ZINC000071748349 472558236 /nfs/dbraw/zinc/55/82/36/472558236.db2.gz FIQDVBNLRKKXPN-INIZCTEOSA-N 1 0 346.500 2.978 50 0 EFAARO CC1=CC[C@@H]2C[N@@H+](Cc3ccccc3OCC(=O)N(C)C)C[C@@H]2C1 ZINC000071746797 472558801 /nfs/dbraw/zinc/55/88/01/472558801.db2.gz UEEABPZZIKQDKZ-AEFFLSMTSA-N 1 0 328.456 2.942 50 0 EFAARO Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(C)c1 ZINC000071756795 472559781 /nfs/dbraw/zinc/55/97/81/472559781.db2.gz LRMDDYGFVOQLHS-QGZVFWFLSA-N 1 0 343.471 2.719 50 0 EFAARO COc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)cc1O ZINC000071753311 472559903 /nfs/dbraw/zinc/55/99/03/472559903.db2.gz KRQOJJADWFIOPJ-QGZVFWFLSA-N 1 0 346.471 2.983 50 0 EFAARO Cc1cc(-n2cccn2)ccc1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000071759624 472561683 /nfs/dbraw/zinc/56/16/83/472561683.db2.gz RZBNZMYDZCGKBP-UHFFFAOYSA-N 1 0 338.455 2.768 50 0 EFAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@@H]1CCN(C)c2ccccc21 ZINC000058407778 472565608 /nfs/dbraw/zinc/56/56/08/472565608.db2.gz QKHWLRGXDBLOSG-HNNXBMFYSA-N 1 0 327.476 2.508 50 0 EFAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000058427962 472568125 /nfs/dbraw/zinc/56/81/25/472568125.db2.gz CIOGTGBQGLWYND-UHFFFAOYSA-N 1 0 345.466 2.692 50 0 EFAARO COc1c(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(C)nn1C ZINC000058432782 472569761 /nfs/dbraw/zinc/56/97/61/472569761.db2.gz CZBNKGVFCVKMBQ-ZDUSSCGKSA-N 1 0 342.443 2.715 50 0 EFAARO CN(CCC[NH+](C)C)[C@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000072148295 472630722 /nfs/dbraw/zinc/63/07/22/472630722.db2.gz DLEIXQFOQICNLT-AWEZNQCLSA-N 1 0 348.516 2.718 50 0 EFAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CC(c2cccnc2)C1 ZINC000072161122 472633336 /nfs/dbraw/zinc/63/33/36/472633336.db2.gz POHOQVKRHFZUME-UHFFFAOYSA-N 1 0 335.451 2.887 50 0 EFAARO Cc1ccc(C)c(OCCCN(C)Cc2cc3n(n2)CCC[NH2+]C3)c1 ZINC000072161153 472633803 /nfs/dbraw/zinc/63/38/03/472633803.db2.gz WGLMXPVMJUAIMD-UHFFFAOYSA-N 1 0 342.487 2.894 50 0 EFAARO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)n1cccc1 ZINC000131264449 472660447 /nfs/dbraw/zinc/66/04/47/472660447.db2.gz PXEPSAHKFRTACP-HNNXBMFYSA-N 1 0 329.419 2.969 50 0 EFAARO CN(Cc1cccnc1)c1ncnc2c1CC[N@H+](Cc1ccco1)CC2 ZINC000072432278 472664258 /nfs/dbraw/zinc/66/42/58/472664258.db2.gz FEXSUBZKXCRFSR-UHFFFAOYSA-N 1 0 349.438 2.702 50 0 EFAARO O=C(N[C@H]1CC[C@H]1[NH2+]C1CCCC1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000072453967 472665446 /nfs/dbraw/zinc/66/54/46/472665446.db2.gz LGPAFLGSIDANOU-NEPJUHHUSA-N 1 0 343.349 2.599 50 0 EFAARO Cc1c(F)cccc1C[NH+]1CCC2(CCC(=O)N(C[C@@H](C)O)C2)CC1 ZINC000091326598 472757421 /nfs/dbraw/zinc/75/74/21/472757421.db2.gz CJZHCBVERRTXRO-OAHLLOKOSA-N 1 0 348.462 2.720 50 0 EFAARO Fc1cccc2ncnc(N3CCC[N@H+](Cc4ccccn4)CC3)c12 ZINC000091325364 472757720 /nfs/dbraw/zinc/75/77/20/472757720.db2.gz RSCCRMPUJZCLIK-UHFFFAOYSA-N 1 0 337.402 2.876 50 0 EFAARO Cc1ccc(Cn2ccnc2-c2cn(C3CC[NH2+]CC3)nn2)cc1C ZINC000091364575 472760071 /nfs/dbraw/zinc/76/00/71/472760071.db2.gz RDUOQTNYILAEBH-UHFFFAOYSA-N 1 0 336.443 2.731 50 0 EFAARO CN1CCC[C@@]2(CC[N@@H+](C3CCN(c4ccccc4F)CC3)C2)C1=O ZINC000091486773 472773406 /nfs/dbraw/zinc/77/34/06/472773406.db2.gz UUVOEYIRHRTGMC-FQEVSTJZSA-N 1 0 345.462 2.739 50 0 EFAARO C/C=C(\C)C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 ZINC000091643830 472789085 /nfs/dbraw/zinc/78/90/85/472789085.db2.gz SXNOUPVTAGOPPI-CRKCGEKBSA-N 1 0 342.487 2.852 50 0 EFAARO CC(C)Cc1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)on1 ZINC000091782316 472806970 /nfs/dbraw/zinc/80/69/70/472806970.db2.gz ROLXTOMAYNYEHD-UHFFFAOYSA-N 1 0 342.443 2.663 50 0 EFAARO CCCCc1cc(=O)[nH]c(-c2ccc(C[N@H+](C)CCOC)cc2)n1 ZINC000048179605 472827363 /nfs/dbraw/zinc/82/73/63/472827363.db2.gz KGGMNPMHIMTXDB-UHFFFAOYSA-N 1 0 329.444 2.858 50 0 EFAARO CC1(C)CC([NH+]2CCN(c3cc(C(N)=O)ccn3)CC2)CC(C)(C)C1 ZINC000065369940 472927054 /nfs/dbraw/zinc/92/70/54/472927054.db2.gz IRAMTIOKOHRJGC-UHFFFAOYSA-N 1 0 344.503 2.907 50 0 EFAARO CCNc1cc(NCCNC(=O)Nc2ccccc2C)nc(C)[nH+]1 ZINC000065363858 472927147 /nfs/dbraw/zinc/92/71/47/472927147.db2.gz ANQNPHMUMMJGNV-UHFFFAOYSA-N 1 0 328.420 2.759 50 0 EFAARO O=C(CC[NH+]1CCC(Cn2cccn2)CC1)Nc1cccc(F)c1 ZINC000065372983 472927840 /nfs/dbraw/zinc/92/78/40/472927840.db2.gz RVQQRVDFVUBLFT-UHFFFAOYSA-N 1 0 330.407 2.763 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)CC1 ZINC000065371732 472928208 /nfs/dbraw/zinc/92/82/08/472928208.db2.gz SVMZDMQFOPRVJP-CQSZACIVSA-N 1 0 349.500 2.631 50 0 EFAARO O=C(c1cc2n(n1)CCC[NH2+]C2)N1CCC2(C=Cc3ccccc32)CC1 ZINC000065373434 472928364 /nfs/dbraw/zinc/92/83/64/472928364.db2.gz XSRRLEVJOYRPAR-UHFFFAOYSA-N 1 0 348.450 2.577 50 0 EFAARO Cc1cc(NC[C@H](c2ccccn2)[NH+](C)C)nc(-c2cccnc2)n1 ZINC000065381050 472929146 /nfs/dbraw/zinc/92/91/46/472929146.db2.gz DOJGVVKPFQCOBY-QGZVFWFLSA-N 1 0 334.427 2.957 50 0 EFAARO Cc1nn(C)c(C)c1C[N@@H+](CCC(=O)Nc1nccs1)C(C)C ZINC000065382490 472929991 /nfs/dbraw/zinc/92/99/91/472929991.db2.gz CRXXGQXWFACWEX-UHFFFAOYSA-N 1 0 335.477 2.733 50 0 EFAARO C[C@@H]1CCCN(C(=O)CC[NH2+]Cc2ccc3c(c2)OCCCO3)C1 ZINC000065374685 472930041 /nfs/dbraw/zinc/93/00/41/472930041.db2.gz VMAFMXIEAJGBPT-OAHLLOKOSA-N 1 0 332.444 2.586 50 0 EFAARO Cc1cccc(Cl)c1OCCNc1nc(C)nc2c1CC[NH2+]CC2 ZINC000065388241 472931612 /nfs/dbraw/zinc/93/16/12/472931612.db2.gz GYMWMBKYWNGYKQ-UHFFFAOYSA-N 1 0 346.862 2.926 50 0 EFAARO O=C(COc1ccccc1)NCC1=CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000065393604 472932947 /nfs/dbraw/zinc/93/29/47/472932947.db2.gz WQGMWPRWMXYMSQ-GOSISDBHSA-N 1 0 326.440 2.922 50 0 EFAARO C[C@@H]1CCCN(C(=O)CC[NH2+]Cc2nn(C)c3cccc(Cl)c23)C1 ZINC000065398244 472933686 /nfs/dbraw/zinc/93/36/86/472933686.db2.gz GCQKEWCSYDPKKH-CYBMUJFWSA-N 1 0 348.878 2.965 50 0 EFAARO Cc1cc(C)n(C[C@H](C)[NH2+]CC(=O)N2CCCc3cc(C)ccc32)n1 ZINC000065398820 472934362 /nfs/dbraw/zinc/93/43/62/472934362.db2.gz ZDYAFLXXOHKELV-INIZCTEOSA-N 1 0 340.471 2.766 50 0 EFAARO COc1cccc(NC(=O)c2cccc(C[N@@H+]3CCC[C@@H](O)C3)c2)c1 ZINC000065455809 472945846 /nfs/dbraw/zinc/94/58/46/472945846.db2.gz PCUKWGXYHUQGJX-GOSISDBHSA-N 1 0 340.423 2.904 50 0 EFAARO Cc1cccn2c(C[NH2+]CCC(=O)NCc3cccs3)cnc12 ZINC000065470408 472950464 /nfs/dbraw/zinc/95/04/64/472950464.db2.gz HMKOBJAAXZLEFZ-UHFFFAOYSA-N 1 0 328.441 2.500 50 0 EFAARO CC(C)CC(=O)N1CCN(CC2=CCC[N@@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000065492591 472955773 /nfs/dbraw/zinc/95/57/73/472955773.db2.gz KIXFLBMZGNPFMB-FQEVSTJZSA-N 1 0 345.531 2.918 50 0 EFAARO COC[C@@H](Nc1cc(C)[nH+]c(N2CCCCC2)n1)c1ccccn1 ZINC000065500184 472957004 /nfs/dbraw/zinc/95/70/04/472957004.db2.gz PTCMGMDGTJUBPH-MRXNPFEDSA-N 1 0 327.432 2.970 50 0 EFAARO CCOc1nnc(CN2CC[C@H](CNc3cc(C)cc[nH+]3)C2)s1 ZINC000065514482 472961961 /nfs/dbraw/zinc/96/19/61/472961961.db2.gz WJOQACXVKXJQFN-CYBMUJFWSA-N 1 0 333.461 2.574 50 0 EFAARO c1ccc(NC[C@@H]2CC[N@H+](Cc3cccc4c3OCCO4)C2)nc1 ZINC000065520786 472964171 /nfs/dbraw/zinc/96/41/71/472964171.db2.gz JUDINGFVEFRYSM-HNNXBMFYSA-N 1 0 325.412 2.787 50 0 EFAARO COCCN(CC1CC1)c1nc(CC[NH3+])nc2sc(C)c(C)c21 ZINC000065528291 472967044 /nfs/dbraw/zinc/96/70/44/472967044.db2.gz NPIJJGNURYOBSA-UHFFFAOYSA-N 1 0 334.489 2.672 50 0 EFAARO CC(C)(CN1CCN(c2ncc(Cl)cn2)CC1)[NH+]1CCCCC1 ZINC000065535588 472969547 /nfs/dbraw/zinc/96/95/47/472969547.db2.gz PKNCEFUGXICZNZ-UHFFFAOYSA-N 1 0 337.899 2.517 50 0 EFAARO O[C@@H]1CN(c2nccc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000108269945 473009554 /nfs/dbraw/zinc/00/95/54/473009554.db2.gz FDCBXKCZFKBHHT-IBGZPJMESA-N 1 0 333.435 2.918 50 0 EFAARO Cn1ccnc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095352723 473190735 /nfs/dbraw/zinc/19/07/35/473190735.db2.gz LUBSBJGMOSPMTO-FUHWJXTLSA-N 1 0 328.435 2.656 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCCN2CCCc3ccccc32)C1 ZINC000095362400 473191411 /nfs/dbraw/zinc/19/14/11/473191411.db2.gz YJSNBACSMWMIHB-KRWDZBQOSA-N 1 0 329.488 2.677 50 0 EFAARO CN(CCC[NH+]1CCCCCC1)C(=O)[C@@H]1Cc2ccccc2CN1C ZINC000095363344 473192453 /nfs/dbraw/zinc/19/24/53/473192453.db2.gz JQARFXFGCSUGBN-FQEVSTJZSA-N 1 0 343.515 2.768 50 0 EFAARO Cn1c(CCCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)nc2ccccc21 ZINC000095373070 473192712 /nfs/dbraw/zinc/19/27/12/473192712.db2.gz BLWYJMBJIPEGQK-INIZCTEOSA-N 1 0 342.487 2.887 50 0 EFAARO COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CN1CCN(C)CC1 ZINC000169681392 473548213 /nfs/dbraw/zinc/54/82/13/473548213.db2.gz DQAPLRLZIYTUGS-HNNXBMFYSA-N 1 0 345.487 2.561 50 0 EFAARO Cc1ccoc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192218361 473650697 /nfs/dbraw/zinc/65/06/97/473650697.db2.gz LYHJVLFMPNTIRV-KRWDZBQOSA-N 1 0 328.412 2.609 50 0 EFAARO Cc1ncsc1CC[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000172597159 473654245 /nfs/dbraw/zinc/65/42/45/473654245.db2.gz UWHPOIKFKPTMAZ-UHFFFAOYSA-N 1 0 344.528 2.748 50 0 EFAARO CSc1nc(C(=O)NC[C@@H]2CCCN(c3ccccn3)C2)cs1 ZINC000219702182 474147740 /nfs/dbraw/zinc/14/77/40/474147740.db2.gz LQDLNDMMTPAUAJ-LBPRGKRZSA-N 1 0 348.497 2.906 50 0 EFAARO CC(C)(C)c1cc(CNC(=O)C2CC[NH+](Cc3ccco3)CC2)[nH]n1 ZINC000221206230 474160242 /nfs/dbraw/zinc/16/02/42/474160242.db2.gz WPHBSBCMGDGWTA-UHFFFAOYSA-N 1 0 344.459 2.829 50 0 EFAARO COc1cc(Cl)ccc1C(=O)NCCCCC[NH+]1CCOCC1 ZINC000221307401 474161545 /nfs/dbraw/zinc/16/15/45/474161545.db2.gz XLPFUOKMYJNJID-UHFFFAOYSA-N 1 0 340.851 2.581 50 0 EFAARO CCCC(=O)N1CCC([NH2+][C@@H]2CCOC[C@H]2OCC=C(C)C)CC1 ZINC000222270758 474168163 /nfs/dbraw/zinc/16/81/63/474168163.db2.gz JOPQMODULSCPML-QZTJIDSGSA-N 1 0 338.492 2.507 50 0 EFAARO COc1ccc(C2(C(=O)NCCNc3cc[nH+]cc3C)CC2)cc1 ZINC000222449952 474169873 /nfs/dbraw/zinc/16/98/73/474169873.db2.gz RYULIESCMYNOEH-UHFFFAOYSA-N 1 0 325.412 2.659 50 0 EFAARO O=C(CC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000222496362 474171871 /nfs/dbraw/zinc/17/18/71/474171871.db2.gz FIUQBRLVJTUAJF-QYZOEREBSA-N 1 0 328.456 2.582 50 0 EFAARO Cc1cc(N2CCN(C(=O)[C@H](C)n3cnc4ccccc43)CC2)cc[nH+]1 ZINC000222681773 474172412 /nfs/dbraw/zinc/17/24/12/474172412.db2.gz WVROTLVITSIHAX-INIZCTEOSA-N 1 0 349.438 2.650 50 0 EFAARO Cc1cccnc1NCCNc1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000222769728 474173961 /nfs/dbraw/zinc/17/39/61/474173961.db2.gz ZUDQDDKPIQAGOS-GASCZTMLSA-N 1 0 338.459 2.786 50 0 EFAARO Cc1ccc(SCCN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)cc1 ZINC000223232455 474179678 /nfs/dbraw/zinc/17/96/78/474179678.db2.gz YQVYGIWYBYAEQO-UHFFFAOYSA-N 1 0 343.500 2.800 50 0 EFAARO CC[N@@H+]1C[C@H](NC(=O)C2(c3ccccc3)CCCCC2)[C@@H](OC)C1 ZINC000223335581 474183846 /nfs/dbraw/zinc/18/38/46/474183846.db2.gz MNEDQZAQHNKMPA-ROUUACIJSA-N 1 0 330.472 2.724 50 0 EFAARO O=C(NCc1cc(C2CC2)on1)C1CC[NH+](Cc2ccco2)CC1 ZINC000223721120 474190686 /nfs/dbraw/zinc/19/06/86/474190686.db2.gz NNAJNDZZEJAXST-UHFFFAOYSA-N 1 0 329.400 2.673 50 0 EFAARO CN1CC[N@H+](Cc2ccc3ccn(Cc4ccccc4)c3c2)C[C@H]1CO ZINC000225342292 474208074 /nfs/dbraw/zinc/20/80/74/474208074.db2.gz QHZPOOHHFCSDJM-NRFANRHFSA-N 1 0 349.478 2.798 50 0 EFAARO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175841261 474321451 /nfs/dbraw/zinc/32/14/51/474321451.db2.gz LSIOTLORGGRIFJ-UHFFFAOYSA-N 1 0 342.361 2.642 50 0 EFAARO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CC1(CO)CCCC1 ZINC000240662470 474552013 /nfs/dbraw/zinc/55/20/13/474552013.db2.gz PLKKIZARAVFKPO-KRWDZBQOSA-N 1 0 334.460 2.897 50 0 EFAARO C[C@H](Cc1cnccn1)[N@H+](C)CCC(=O)Nc1ccc(F)cc1F ZINC000244724461 474564597 /nfs/dbraw/zinc/56/45/97/474564597.db2.gz MUNXAWZOKIZKCZ-GFCCVEGCSA-N 1 0 334.370 2.646 50 0 EFAARO Cc1cccc(OC2(C(=O)[O-])CC[NH+](C[C@H]3CC[C@@H]([NH3+])CC3)CC2)c1 ZINC000244659479 474565773 /nfs/dbraw/zinc/56/57/73/474565773.db2.gz HDIVDOQMPTUVBA-CALCHBBNSA-N 1 0 346.471 2.811 50 0 EFAARO Cc1ccn2cc(CN3CC[NH+](C4Cc5ccccc5C4)CC3)nc2c1 ZINC000244796187 474566811 /nfs/dbraw/zinc/56/68/11/474566811.db2.gz RUNLQHQQRPHJRH-UHFFFAOYSA-N 1 0 346.478 2.928 50 0 EFAARO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CCn1nc(C)cc1C ZINC000244899604 474568121 /nfs/dbraw/zinc/56/81/21/474568121.db2.gz ZMSGPARVSIGOKN-SFHVURJKSA-N 1 0 344.459 2.858 50 0 EFAARO C[C@H]([NH2+]C[C@@H](O)COC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000245237086 474572795 /nfs/dbraw/zinc/57/27/95/474572795.db2.gz FCYDSJVNZCQEOT-JQHSSLGASA-N 1 0 343.423 2.555 50 0 EFAARO Cc1c2ccccc2oc1CNC(=O)CC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000252481367 474666779 /nfs/dbraw/zinc/66/67/79/474666779.db2.gz CJZVMIRDKSGWOC-OAHLLOKOSA-N 1 0 343.471 2.774 50 0 EFAARO Cc1ccc(-c2noc(CNC(=O)CC[N@@H+]3C[C@@H]4CC[C@H]3C4)n2)cc1 ZINC000252482864 474668876 /nfs/dbraw/zinc/66/88/76/474668876.db2.gz DPIYMUMSGZJXGK-ZBFHGGJFSA-N 1 0 340.427 2.536 50 0 EFAARO c1ccc(-c2ccnc(N3CC[NH+](C[C@H]4CCCOC4)CC3)n2)cc1 ZINC000252485149 474670716 /nfs/dbraw/zinc/67/07/16/474670716.db2.gz GOBYZRTWMKCPSZ-QGZVFWFLSA-N 1 0 338.455 2.692 50 0 EFAARO CCn1ccnc1[C@H]1CCCN(CC(=O)Nc2ccc(OC)cc2)C1 ZINC000252486681 474672693 /nfs/dbraw/zinc/67/26/93/474672693.db2.gz HONJUZOEQZLIPL-HNNXBMFYSA-N 1 0 342.443 2.730 50 0 EFAARO CN(CC(=O)Nc1ccc(Cl)cn1)C[C@@H]1Cc2ccccc2O1 ZINC000252507765 474685952 /nfs/dbraw/zinc/68/59/52/474685952.db2.gz WTPGAKKLCDWLCF-AWEZNQCLSA-N 1 0 331.803 2.609 50 0 EFAARO CCn1nc(C)c(NC(=O)C[N@H+](C)C2Cc3ccccc3C2)c1C ZINC000252508706 474687029 /nfs/dbraw/zinc/68/70/29/474687029.db2.gz XRFFNWDVLJNFGD-UHFFFAOYSA-N 1 0 326.444 2.558 50 0 EFAARO Cc1n[nH]c(C)c1CC[N@H+](C)CCC(=O)Nc1cc(F)ccc1F ZINC000252508467 474687854 /nfs/dbraw/zinc/68/78/54/474687854.db2.gz XNSYTMOKSCFEQX-UHFFFAOYSA-N 1 0 336.386 2.808 50 0 EFAARO COc1ccc(CC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000253408329 474741493 /nfs/dbraw/zinc/74/14/93/474741493.db2.gz KQAXLJWXKSXUCN-PKOBYXMFSA-N 1 0 330.472 2.961 50 0 biogenic EFAARO C[N@@H+]1CCCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000355584999 476041499 /nfs/dbraw/zinc/04/14/99/476041499.db2.gz YXYIMTZESXAZGY-UHFFFAOYSA-N 1 0 348.447 2.525 50 0 EFAARO COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299754413 476151283 /nfs/dbraw/zinc/15/12/83/476151283.db2.gz KQAXLJWXKSXUCN-IEBWSBKVSA-N 1 0 330.472 2.961 50 0 biogenic EFAARO CO[C@]12CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)[C@H]1C[C@H](O)CC2 ZINC000299794714 476153427 /nfs/dbraw/zinc/15/34/27/476153427.db2.gz MQHBEUIRFLJXGJ-IMFGXOCKSA-N 1 0 331.456 2.904 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cc(F)ccc3-n3cccn3)[C@H]1C[C@H](O)CC2 ZINC000299769679 476153723 /nfs/dbraw/zinc/15/37/23/476153723.db2.gz RDLLFVKCHBXOQA-NZSAHSFTSA-N 1 0 345.418 2.516 50 0 EFAARO Cc1ccccc1-c1noc(CNC(=O)CC[N@@H+]2C[C@@H]3CC[C@H]2C3)n1 ZINC000299774689 476154549 /nfs/dbraw/zinc/15/45/49/476154549.db2.gz FVAAGIRPXBVDMS-CABCVRRESA-N 1 0 340.427 2.536 50 0 EFAARO Cn1c(Sc2cc(C(F)(F)F)ccn2)nnc1C1CC[NH2+]CC1 ZINC000367264108 477421337 /nfs/dbraw/zinc/42/13/37/477421337.db2.gz JVRGUPRWRUMEBB-UHFFFAOYSA-N 1 0 343.378 2.847 50 0 EFAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)N[C@@H](CO)c1ccccc1 ZINC000426420865 477708797 /nfs/dbraw/zinc/70/87/97/477708797.db2.gz YGYQWYZJTPWHOT-IBGZPJMESA-N 1 0 345.487 2.674 50 0 EFAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2ccc(N)nc2C)cc1 ZINC000426436526 477710992 /nfs/dbraw/zinc/71/09/92/477710992.db2.gz HBKWEZICQRMAGI-UHFFFAOYSA-N 1 0 326.444 2.711 50 0 EFAARO CCc1ccccc1N1CCN(C(=O)NCC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000426531564 477716054 /nfs/dbraw/zinc/71/60/54/477716054.db2.gz IKZTWCNZKUJZLK-SFHVURJKSA-N 1 0 344.503 2.565 50 0 EFAARO c1csc(C[N@@H+]2CCCN(c3cc([C@@H]4CCOC4)ncn3)CC2)c1 ZINC000426533916 477717767 /nfs/dbraw/zinc/71/77/67/477717767.db2.gz XTRYFKIBWMRNHJ-OAHLLOKOSA-N 1 0 344.484 2.754 50 0 EFAARO O=C(NC[C@@H]1C[NH2+]CCO1)c1cccc(-c2cc(Cl)ccc2F)c1 ZINC000426635777 477730305 /nfs/dbraw/zinc/73/03/05/477730305.db2.gz ZYZBUZYRZFUMRC-HNNXBMFYSA-N 1 0 348.805 2.864 50 0 EFAARO CCC1CC[NH+](CCNC(=O)N(C)[C@H](C)Cc2ccccn2)CC1 ZINC000426701503 477739692 /nfs/dbraw/zinc/73/96/92/477739692.db2.gz WZEPITUXUYHUMN-MRXNPFEDSA-N 1 0 332.492 2.776 50 0 EFAARO Cc1cc(F)ccc1-c1cccc(C(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)c1 ZINC000426711975 477741557 /nfs/dbraw/zinc/74/15/57/477741557.db2.gz CPISTINZVWELBC-MSOLQXFVSA-N 1 0 342.414 2.596 50 0 EFAARO COc1cncc(-c2ccc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)cc2)c1 ZINC000426740393 477744568 /nfs/dbraw/zinc/74/45/68/477744568.db2.gz HADIVVRCUIHHAJ-LJQANCHMSA-N 1 0 337.423 2.581 50 0 EFAARO COc1cncc(-c2ccc(C(=O)N[C@H]3C[NH+]4CCC3CC4)cc2)c1 ZINC000426740388 477745567 /nfs/dbraw/zinc/74/55/67/477745567.db2.gz HADIVVRCUIHHAJ-IBGZPJMESA-N 1 0 337.423 2.581 50 0 EFAARO COc1cc(C)c(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cn1 ZINC000534592703 478162244 /nfs/dbraw/zinc/16/22/44/478162244.db2.gz JLEYICOKHKRSEJ-UHFFFAOYSA-N 1 0 339.439 2.891 50 0 EFAARO C[C@@H](c1ccncn1)N(C)C(=O)NC(C)(C)C[NH+]1CCCCCC1 ZINC000534592822 478162317 /nfs/dbraw/zinc/16/23/17/478162317.db2.gz KVHLTGGCGPMLQU-HNNXBMFYSA-N 1 0 333.480 2.834 50 0 EFAARO COc1cccc(N2CCC([NH2+][C@@H](c3ncnn3C)C(C)C)CC2)c1 ZINC000534636290 478163110 /nfs/dbraw/zinc/16/31/10/478163110.db2.gz NUNGNISFWCTCKO-GOSISDBHSA-N 1 0 343.475 2.779 50 0 EFAARO CC(=O)c1ncc(C(=O)NC[C@H](c2cccc(C)c2)[NH+](C)C)s1 ZINC000534636209 478163819 /nfs/dbraw/zinc/16/38/19/478163819.db2.gz UNQUBCJVIBPOOD-CQSZACIVSA-N 1 0 331.441 2.687 50 0 EFAARO C[C@H](C[NH+]1CCCCCC1)NCc1csc(-c2cnccn2)n1 ZINC000534631097 478163828 /nfs/dbraw/zinc/16/38/28/478163828.db2.gz ZZYBUGNWXYALCT-CQSZACIVSA-N 1 0 331.489 2.954 50 0 EFAARO CC[N@H+](C)C(C)(C)CNC(=O)N(C)Cc1nc2cc(F)ccc2[nH]1 ZINC000534639217 478164842 /nfs/dbraw/zinc/16/48/42/478164842.db2.gz ZYPUVUIUIJERQN-UHFFFAOYSA-N 1 0 335.427 2.574 50 0 EFAARO C[C@@H](CNC(=O)N(C)Cc1nc2cc(F)ccc2[nH]1)[NH+]1CCCCC1 ZINC000584886395 479270851 /nfs/dbraw/zinc/27/08/51/479270851.db2.gz VAWASKRVITZLSA-ZDUSSCGKSA-N 1 0 347.438 2.718 50 0 EFAARO O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1cccc(-c2ccc(F)cc2Cl)c1 ZINC000584890594 479272225 /nfs/dbraw/zinc/27/22/25/479272225.db2.gz DPMGBVFKMLJBER-IAGOWNOFSA-N 1 0 348.805 2.599 50 0 EFAARO CCCn1ncnc1-c1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000584894304 479274298 /nfs/dbraw/zinc/27/42/98/479274298.db2.gz RQBKOPZOMHWCHH-KRWDZBQOSA-N 1 0 341.459 2.569 50 0 EFAARO Cc1c(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)ccn1C ZINC000584902414 479276958 /nfs/dbraw/zinc/27/69/58/479276958.db2.gz TWNFEXQKWUDXOD-UHFFFAOYSA-N 1 0 325.456 2.727 50 0 EFAARO Cc1cc(C)[nH+]c(NCc2cn(C)nc2I)c1 ZINC000585136601 479296828 /nfs/dbraw/zinc/29/68/28/479296828.db2.gz MNFAFXPGIFFMAU-UHFFFAOYSA-N 1 0 342.184 2.649 50 0 EFAARO [NH3+]C1CCC(CS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000575599736 479447645 /nfs/dbraw/zinc/44/76/45/479447645.db2.gz LLSWXWXVMMXQAF-UHFFFAOYSA-N 1 0 332.263 2.740 50 0 EFAARO COC1CC[NH+](C2CN(C(=O)CCc3ccc(SC)cc3)C2)CC1 ZINC000575610308 479453264 /nfs/dbraw/zinc/45/32/64/479453264.db2.gz IAHCIJZUXYTPQK-UHFFFAOYSA-N 1 0 348.512 2.663 50 0 EFAARO Cc1cccc(-n2nc(C3CC3)nc2CN(C)C2CC[NH+](C)CC2)c1 ZINC000096133331 518190205 /nfs/dbraw/zinc/19/02/05/518190205.db2.gz XTNDROYLMMCLGD-UHFFFAOYSA-N 1 0 339.487 2.979 50 0 EFAARO COCCCN(Cc1cccc(OC)c1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000216147270 536537341 /nfs/dbraw/zinc/53/73/41/536537341.db2.gz VEASFQVLFIZESU-SJORKVTESA-N 1 0 334.460 2.578 50 0 EFAARO CC[NH+](CC)[C@H]1CCN(CCC(=O)Nc2cc(F)ccc2F)C1 ZINC000244811828 535678737 /nfs/dbraw/zinc/67/87/37/535678737.db2.gz SLTIISZJTFRITO-AWEZNQCLSA-N 1 0 325.403 2.710 50 0 EFAARO C[NH+](C)Cc1ccc(CSCCNC(=O)c2cc(Cl)c[nH]2)o1 ZINC000426727505 536011997 /nfs/dbraw/zinc/01/19/97/536011997.db2.gz ORTYKRQPYWIEFM-UHFFFAOYSA-N 1 0 341.864 2.986 50 0 EFAARO CCn1cc(C[N@H+](C)Cc2ccc(OC)c(Cn3cccn3)c2)cn1 ZINC000216179037 536045643 /nfs/dbraw/zinc/04/56/43/536045643.db2.gz GSPZAORXPXIGPT-UHFFFAOYSA-N 1 0 339.443 2.788 50 0 EFAARO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000215655811 536315210 /nfs/dbraw/zinc/31/52/10/536315210.db2.gz RPBPMMAYFZXJDF-GOSISDBHSA-N 1 0 344.480 2.974 50 0 EFAARO CN(C[C@@H]1CCCO1)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000364104350 536425634 /nfs/dbraw/zinc/42/56/34/536425634.db2.gz SMQUCMPIMAIQEY-HNNXBMFYSA-N 1 0 337.489 2.533 50 0 EFAARO Cn1c2ccccc2cc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c1=O ZINC000244828635 536460902 /nfs/dbraw/zinc/46/09/02/536460902.db2.gz TZWDZUDEPJDXIU-GOSISDBHSA-N 1 0 334.419 2.974 50 0 EFAARO CC(=O)c1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000349045697 545995496 /nfs/dbraw/zinc/99/54/96/545995496.db2.gz FMVHTEHJQQVYMU-CABCVRRESA-N 1 0 346.427 2.965 50 0 EFAARO Cc1nc(CC(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)cs1 ZINC000670437451 547489260 /nfs/dbraw/zinc/48/92/60/547489260.db2.gz LGPDSYKRWXMEMZ-KRWDZBQOSA-N 1 0 344.484 2.732 50 0 EFAARO Cc1nccn1CC[C@H](C)[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000670439418 547489457 /nfs/dbraw/zinc/48/94/57/547489457.db2.gz QHNGRTYKDLSEKC-AWEZNQCLSA-N 1 0 333.867 2.841 50 0 EFAARO Cc1c(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)ccn1C ZINC000670444649 547490599 /nfs/dbraw/zinc/49/05/99/547490599.db2.gz VPZAKNOBAFUXJG-QGZVFWFLSA-N 1 0 325.456 2.861 50 0 EFAARO COCCCC[NH+]1CCN(C(=O)NCCc2ccc(C)cc2C)CC1 ZINC000670440758 547490724 /nfs/dbraw/zinc/49/07/24/547490724.db2.gz LEFFWUCLGVSACU-UHFFFAOYSA-N 1 0 347.503 2.600 50 0 EFAARO O=C1CC[C@H](C[N@@H+]2CCCN(c3nc4ccccc4s3)CC2)O1 ZINC000670447817 547491984 /nfs/dbraw/zinc/49/19/84/547491984.db2.gz ANTZOPZDFHMTIX-CYBMUJFWSA-N 1 0 331.441 2.514 50 0 EFAARO Cc1ccc(-c2ccc(C(=O)NCC[N@@H+]3CCC[C@@H](CO)C3)cc2)o1 ZINC000670456684 547493067 /nfs/dbraw/zinc/49/30/67/547493067.db2.gz BERLOAASJATOII-MRXNPFEDSA-N 1 0 342.439 2.689 50 0 EFAARO C[N@@H+]1CCC[C@H](C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000230541839 564129619 /nfs/dbraw/zinc/12/96/19/564129619.db2.gz PCRKHWPBVPDYPS-LBPRGKRZSA-N 1 0 334.851 2.607 50 0 EFAARO C[C@@H](CCNC(=O)N(C)Cc1nc2ccccc2n1C)[NH+]1CCCC1 ZINC000584884276 564131405 /nfs/dbraw/zinc/13/14/05/564131405.db2.gz YSMZYYQOBHBFGN-HNNXBMFYSA-N 1 0 343.475 2.589 50 0 EFAARO C[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCCC1)n1cccc1 ZINC000584884860 564131418 /nfs/dbraw/zinc/13/14/18/564131418.db2.gz UBXILXNRKZBDDG-QGZVFWFLSA-N 1 0 333.476 2.591 50 0 EFAARO C[NH+](C)CC1(CO)CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC001772701124 1249284168 /nfs/dbraw/zinc/28/41/68/1249284168.db2.gz IFDFZUBMDBVLBB-UHFFFAOYSA-N 1 0 343.830 2.647 50 0 EFAARO OC[C@@]12C[N@H+](Cc3ccc(OC4CCCC4)cc3)C[C@@H]1COCC2 ZINC001772703114 1249285411 /nfs/dbraw/zinc/28/54/11/1249285411.db2.gz VOSVMQWPHAHZHK-YLJYHZDGSA-N 1 0 331.456 2.839 50 0 EFAARO C[N@H+](CCCNc1nnc([C@H](N)c2ccccc2)o1)C1CCCC1 ZINC001772702353 1249285757 /nfs/dbraw/zinc/28/57/57/1249285757.db2.gz REBGQGQCATWZST-MRXNPFEDSA-N 1 0 329.448 2.794 50 0 EFAARO COc1nc(NC2CC[NH+](CCc3ccccc3)CC2)ncc1F ZINC001772702885 1249286586 /nfs/dbraw/zinc/28/65/86/1249286586.db2.gz BBSMBFRQLQGPLN-UHFFFAOYSA-N 1 0 330.407 2.743 50 0 EFAARO COc1nc(NC[C@@H]2CC[N@H+](Cc3ccccc3C)C2)ncc1F ZINC001772705871 1249290932 /nfs/dbraw/zinc/29/09/32/1249290932.db2.gz SRAPRLPOOTUMRF-AWEZNQCLSA-N 1 0 330.407 2.867 50 0 EFAARO Cc1cnc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000823765115 1265427553 /nfs/dbraw/zinc/42/75/53/1265427553.db2.gz WCKTUAWQXDHWIH-UHFFFAOYSA-N 1 0 326.400 2.510 50 0 EFAARO Cc1c2cc(F)ccc2[nH]c1CN1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000823770156 1265427605 /nfs/dbraw/zinc/42/76/05/1265427605.db2.gz QZWRDWREAOMRNK-UHFFFAOYSA-N 1 0 344.478 2.827 50 0 EFAARO CCc1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)[nH]1 ZINC000012317191 1265907923 /nfs/dbraw/zinc/90/79/23/1265907923.db2.gz BEAAYGBCUZWEGO-HXUWFJFHSA-N 1 0 344.503 2.895 50 0 EFAARO CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccsc3)C2)cc1 ZINC000618256535 1263287447 /nfs/dbraw/zinc/28/74/47/1263287447.db2.gz JPBJPNCXEUZIOB-QGZVFWFLSA-N 1 0 343.452 2.711 50 0 EFAARO CC(=O)Nc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccsc3)C2)cc1 ZINC000618256532 1263287944 /nfs/dbraw/zinc/28/79/44/1263287944.db2.gz JPBJPNCXEUZIOB-KRWDZBQOSA-N 1 0 343.452 2.711 50 0 EFAARO Cn1c(=O)c(C[N@H+](C)CCn2cccn2)cc2ccc(Cl)cc21 ZINC000011782268 1263928862 /nfs/dbraw/zinc/92/88/62/1263928862.db2.gz PSICSIPJGWEDPX-UHFFFAOYSA-N 1 0 330.819 2.520 50 0 EFAARO Cn1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)cn1 ZINC000011814793 1263993760 /nfs/dbraw/zinc/99/37/60/1263993760.db2.gz JSCVUFYOUYOCEL-SFHVURJKSA-N 1 0 335.398 2.516 50 0 EFAARO C[N@H+](CCO)[C@H]1CCC(=O)N(Cc2ccc3ccccc3c2)CC1 ZINC000012099789 1264906840 /nfs/dbraw/zinc/90/68/40/1264906840.db2.gz YSXWDJKBTNZVBD-IBGZPJMESA-N 1 0 326.440 2.645 50 0 EFAARO Cc1cnc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2ccccc2F)cn1 ZINC000012156500 1265090310 /nfs/dbraw/zinc/09/03/10/1265090310.db2.gz QVEVASUMWBWHLS-QGZVFWFLSA-N 1 0 342.418 2.595 50 0 EFAARO CCCn1nc(-c2ccccc2)nc1CC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000823033058 1265216043 /nfs/dbraw/zinc/21/60/43/1265216043.db2.gz FVTLEEGPUXUCIH-QGZVFWFLSA-N 1 0 341.503 2.924 50 0 EFAARO CCOc1ccccc1N1CCN(C(=O)[C@H]2CCCCC[N@@H+]2C)CC1 ZINC000823395362 1265330112 /nfs/dbraw/zinc/33/01/12/1265330112.db2.gz AZEHRHZMFZLMMV-GOSISDBHSA-N 1 0 345.487 2.608 50 0 EFAARO COc1ccc(Cc2n[nH]c([C@H](C)N3CCCCC3)n2)cc1OC ZINC000824603756 1266924705 /nfs/dbraw/zinc/92/47/05/1266924705.db2.gz FLZXMKRXSCHUHA-ZDUSSCGKSA-N 1 0 330.432 2.960 50 0 EFAARO COc1ccc(Cc2nnc([C@@H](C)C[NH+]3CCCC3)[nH]2)cc1OC ZINC000824603772 1266924795 /nfs/dbraw/zinc/92/47/95/1266924795.db2.gz JJIYFVWMWQNFBO-ZDUSSCGKSA-N 1 0 330.432 2.612 50 0 EFAARO COc1cccc(-c2cc(-c3ccco3)nc(N3CC[C@H]([NH3+])C3)n2)c1 ZINC000824789978 1266943097 /nfs/dbraw/zinc/94/30/97/1266943097.db2.gz OSGHVVITEJCIMV-AWEZNQCLSA-N 1 0 336.395 2.950 50 0 EFAARO CCn1nc(COc2ccccc2OC)nc1C[C@@H]1CCCC[N@@H+]1C ZINC000824827616 1266947899 /nfs/dbraw/zinc/94/78/99/1266947899.db2.gz QUBNGFBYDXPZIZ-HNNXBMFYSA-N 1 0 344.459 2.912 50 0 EFAARO Cc1cc(C(=O)NC2CC[NH+](Cc3cccs3)CC2)nc(C)n1 ZINC000825264559 1267048769 /nfs/dbraw/zinc/04/87/69/1267048769.db2.gz VYNKFDLYHQWKBL-UHFFFAOYSA-N 1 0 330.457 2.549 50 0 EFAARO Nc1ncc(C(=O)NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000827590643 1267445114 /nfs/dbraw/zinc/44/51/14/1267445114.db2.gz RMXATYXRORZRDY-OAHLLOKOSA-N 1 0 344.484 2.900 50 0 EFAARO O=C(CCc1cccnc1)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828013100 1267562813 /nfs/dbraw/zinc/56/28/13/1267562813.db2.gz PNNLIUSKVKVXOO-MRXNPFEDSA-N 1 0 329.469 2.857 50 0 EFAARO O=C(CCN1CCCC1=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000828075194 1267581374 /nfs/dbraw/zinc/58/13/74/1267581374.db2.gz 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ZINC000585499132 1281872850 /nfs/dbraw/zinc/87/28/50/1281872850.db2.gz CTBVTIIAXCWMMV-IAGOWNOFSA-N 1 0 347.503 2.556 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2nc3ccccc3s2)C[C@H]1CCO ZINC000036385776 1283145842 /nfs/dbraw/zinc/14/58/42/1283145842.db2.gz GHJVYJDVXCSCKT-OAHLLOKOSA-N 1 0 333.501 2.821 50 0 EFAARO CN(CC[NH+](C)C)C[C@H]1CC[C@@H](Cc2cccc(C(F)(F)F)n2)O1 ZINC000952854509 1284871609 /nfs/dbraw/zinc/87/16/09/1284871609.db2.gz BMNOLNUTQMWOGO-LSDHHAIUSA-N 1 0 345.409 2.684 50 0 EFAARO CSc1cccc(C[NH2+]CCc2nc(-c3cccnc3)n[nH]2)c1 ZINC000952868730 1284888383 /nfs/dbraw/zinc/88/83/83/1284888383.db2.gz DNTDCNYRQPBYSW-UHFFFAOYSA-N 1 0 325.441 2.921 50 0 EFAARO COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCCC[N@@H+]3C)c2c1 ZINC000952869218 1284888749 /nfs/dbraw/zinc/88/87/49/1284888749.db2.gz GJLKDVYBFIADEE-SFHVURJKSA-N 1 0 329.444 2.710 50 0 EFAARO CNC(=O)[C@]1(C)CCCN(C(=O)C2([NH+]3CCCCC3)CCCCC2)C1 ZINC000952962984 1284920889 /nfs/dbraw/zinc/92/08/89/1284920889.db2.gz DPLVLGXXCSXVKO-LJQANCHMSA-N 1 0 349.519 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CC(=O)Nc1ccc2nc(C[NH2+]CCCn3ccnc3C)ccc2c1 ZINC000952984574 1284983949 /nfs/dbraw/zinc/98/39/49/1284983949.db2.gz YJVJZMKXVVRBQJ-UHFFFAOYSA-N 1 0 337.427 2.878 50 0 EFAARO Cc1ccccc1-c1ncc(C[NH2+]CCN2CCC[C@H](CO)C2)s1 ZINC000952986212 1284987362 /nfs/dbraw/zinc/98/73/62/1284987362.db2.gz YURCQMUYVFJBJR-INIZCTEOSA-N 1 0 345.512 2.912 50 0 EFAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCC[C@H](CO)C1 ZINC000952989347 1284992735 /nfs/dbraw/zinc/99/27/35/1284992735.db2.gz IHPIUVNOIMNOAW-LBPRGKRZSA-N 1 0 347.286 2.796 50 0 EFAARO C[NH+]1CCC2(CC(=O)N(Cc3cncn3C3CCCCC3)C2)CC1 ZINC000095502733 1292247352 /nfs/dbraw/zinc/24/73/52/1292247352.db2.gz FKLULFYLJJQCHR-UHFFFAOYSA-N 1 0 330.476 2.833 50 0 EFAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH+]1CCCC1)C2 ZINC000014540678 1311159135 /nfs/dbraw/zinc/15/91/35/1311159135.db2.gz PRMQFDUUNKPKDC-MRXNPFEDSA-N 1 0 344.503 2.872 50 0 EFAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH+]1CCCC1)C2 ZINC000014540677 1311159166 /nfs/dbraw/zinc/15/91/66/1311159166.db2.gz PRMQFDUUNKPKDC-INIZCTEOSA-N 1 0 344.503 2.872 50 0 EFAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]C(C)C)C2 ZINC000014733285 1311230341 /nfs/dbraw/zinc/23/03/41/1311230341.db2.gz PCEOOHPPNMCNMI-HNNXBMFYSA-N 1 0 332.492 2.630 50 0 EFAARO C[NH+](C)CC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CCO1 ZINC000014948931 1311402436 /nfs/dbraw/zinc/40/24/36/1311402436.db2.gz HHQQWDWWIHIZHI-INIZCTEOSA-N 1 0 331.485 2.963 50 0 EFAARO CSCCC(=O)N(C)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014970001 1311408794 /nfs/dbraw/zinc/40/87/94/1311408794.db2.gz GPJUASGXBYCNSQ-QGZVFWFLSA-N 1 0 332.513 2.830 50 0 EFAARO O=C1N(CCc2ccccc2)CCC[C@]1(O)C[NH2+]C1CCCCCC1 ZINC000014962317 1311409025 /nfs/dbraw/zinc/40/90/25/1311409025.db2.gz YYUSQODCOUITKD-NRFANRHFSA-N 1 0 344.499 2.895 50 0 EFAARO O=C(NCc1cccs1)[C@@H]1CC12CC[NH+]([C@H]1CCSC1)CC2 ZINC000014988505 1311428751 /nfs/dbraw/zinc/42/87/51/1311428751.db2.gz IOGCICZYFAAWJY-ZFWWWQNUSA-N 1 0 336.526 2.972 50 0 EFAARO COC(=O)Cn1c2cc(Cl)ccc2cc(C[NH2+]C2CCCC2)c1=O ZINC000014997657 1311435592 /nfs/dbraw/zinc/43/55/92/1311435592.db2.gz XIWDHHXILVWRCG-UHFFFAOYSA-N 1 0 348.830 2.860 50 0 EFAARO OCC[C@@H]1CN(Cc2ccoc2)CC[N@@H+]1CCCc1ccccc1 ZINC000019791486 1314540560 /nfs/dbraw/zinc/54/05/60/1314540560.db2.gz OJQJOKUPURBAFN-HXUWFJFHSA-N 1 0 328.456 2.781 50 0 EFAARO Cc1ccccc1CCC(=O)N[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000020454357 1314669115 /nfs/dbraw/zinc/66/91/15/1314669115.db2.gz IXSRGIJESGILCO-LJQANCHMSA-N 1 0 343.515 2.602 50 0 EFAARO Oc1cc(-c2cccnc2)cc2c1OCC[N@H+](CCc1cn[nH]c1)C2 ZINC000067880877 1316074396 /nfs/dbraw/zinc/07/43/96/1316074396.db2.gz ASYQVFUEFQGWAL-UHFFFAOYSA-N 1 0 336.395 2.614 50 0 EFAARO c1coc(CN2CCC([NH2+]C[C@H]3COc4ccccc4O3)CC2)c1 ZINC001506396703 1405749683 /nfs/dbraw/zinc/74/96/83/1405749683.db2.gz MWEFUWUGTLVYHK-KRWDZBQOSA-N 1 0 328.412 2.674 50 0 EFAARO COCC[N@@H+]1CC[C@H](C(=O)Nc2onc(-c3ccccc3)c2C)C1 ZINC001506396443 1405750146 /nfs/dbraw/zinc/75/01/46/1405750146.db2.gz TUTFPVUYEAEPAH-HNNXBMFYSA-N 1 0 329.400 2.557 50 0 EFAARO O=C1C[C@H]([NH2+]C2CSCCSC2)CN1c1cccc(Cl)c1 ZINC001506402954 1405751612 /nfs/dbraw/zinc/75/16/12/1405751612.db2.gz LEDYSDNOACHMHF-LBPRGKRZSA-N 1 0 342.917 2.884 50 0 EFAARO COc1ccc2cc(C[NH2+]CCCc3csc(N)n3)c(=O)[nH]c2c1 ZINC001506404993 1405752427 /nfs/dbraw/zinc/75/24/27/1405752427.db2.gz SXYKFEWHLUDUPP-UHFFFAOYSA-N 1 0 344.440 2.710 50 0 EFAARO CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)CCN2CCCCCC2=O)C1 ZINC001506404822 1405753038 /nfs/dbraw/zinc/75/30/38/1405753038.db2.gz JCKFTEYBNZCOPS-SFHVURJKSA-N 1 0 349.519 2.574 50 0 EFAARO Cn1ccnc1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001506405645 1405753119 /nfs/dbraw/zinc/75/31/19/1405753119.db2.gz NBLSOADFOBNXPQ-UHFFFAOYSA-N 1 0 338.377 2.804 50 0 EFAARO FC(F)(F)CN1CCN(C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001506404264 1405753269 /nfs/dbraw/zinc/75/32/69/1405753269.db2.gz WEUZDYUMWKCEFW-QGZVFWFLSA-N 1 0 341.421 2.831 50 0 EFAARO CO[C@H](C[NH2+]C1CCN(C(=O)c2cccnc2)CC1)c1cccs1 ZINC001506406385 1405753939 /nfs/dbraw/zinc/75/39/39/1405753939.db2.gz JTXJWPDFUPCWNV-MRXNPFEDSA-N 1 0 345.468 2.725 50 0 EFAARO Cc1ccc(N2CCC([NH2+][C@H]3CCCCNC3=O)CC2)cc1Cl ZINC001506406044 1405754214 /nfs/dbraw/zinc/75/42/14/1405754214.db2.gz YNOUXLFOFJXVLC-KRWDZBQOSA-N 1 0 335.879 2.876 50 0 EFAARO O=c1cc([C@@H]2CCC[N@H+](Cc3cc(-c4cccnc4)no3)C2)nc[nH]1 ZINC001506406964 1405754226 /nfs/dbraw/zinc/75/42/26/1405754226.db2.gz HUZXBEBAECJMLU-CQSZACIVSA-N 1 0 337.383 2.612 50 0 EFAARO c1ccc2oc(N3CC[NH+](C4CSCCSC4)CC3)nc2c1 ZINC001506408373 1405755222 /nfs/dbraw/zinc/75/52/22/1405755222.db2.gz DRPVHTOQYXFWRQ-UHFFFAOYSA-N 1 0 335.498 2.798 50 0 EFAARO c1ncn(CC[C@@H]([NH2+]C2CSCCSC2)c2ccccc2)n1 ZINC001506410308 1405756386 /nfs/dbraw/zinc/75/63/86/1405756386.db2.gz KBMYKMABQWPSNY-MRXNPFEDSA-N 1 0 334.514 2.848 50 0 EFAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001506411714 1405757349 /nfs/dbraw/zinc/75/73/49/1405757349.db2.gz KLCKWTCSZSJPIF-KRWDZBQOSA-N 1 0 341.386 2.541 50 0 EFAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@H]1CCc1cccs1 ZINC001506415470 1405758781 /nfs/dbraw/zinc/75/87/81/1405758781.db2.gz XWYVYRUMJIVGBI-HNNXBMFYSA-N 1 0 344.546 2.817 50 0 EFAARO c1ccc(Cc2noc(CC[NH2+]C3CSCCSC3)n2)cc1 ZINC001506420240 1405760826 /nfs/dbraw/zinc/76/08/26/1405760826.db2.gz ZFOFMZGFNMOQEP-UHFFFAOYSA-N 1 0 335.498 2.641 50 0 EFAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]Cc1nc(C)cc(C(F)(F)F)n1 ZINC001506421622 1405761846 /nfs/dbraw/zinc/76/18/46/1405761846.db2.gz KJZKHOBYEUFDKD-JTQLQIEISA-N 1 0 332.370 2.587 50 0 EFAARO Cc1ccnn1CC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC001506427641 1405764607 /nfs/dbraw/zinc/76/46/07/1405764607.db2.gz ONJMXHLKNFSYRG-UHFFFAOYSA-N 1 0 327.457 2.623 50 0 EFAARO COc1ccc(F)c(F)c1CN(CC[NH+](C)C)Cc1[nH]cnc1C ZINC001704307479 1417902783 /nfs/dbraw/zinc/90/27/83/1417902783.db2.gz HAOSKEZMDWQNMI-UHFFFAOYSA-N 1 0 338.402 2.569 50 0 EFAARO C[NH+](C)CCN(Cc1c[nH]cn1)C(=O)c1ccccc1C(F)(F)F ZINC001704313158 1417904643 /nfs/dbraw/zinc/90/46/43/1417904643.db2.gz HGOBHVQJVDQJOB-UHFFFAOYSA-N 1 0 340.349 2.633 50 0 EFAARO 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O=c1c2cccnc2ncn1CC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032576431 202227184 /nfs/dbraw/zinc/22/71/84/202227184.db2.gz FVMUMCKXOAKLAR-INIZCTEOSA-N 1 0 326.444 2.979 50 0 EFAARO O=c1c2cnccc2ncn1CC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032577798 202227964 /nfs/dbraw/zinc/22/79/64/202227964.db2.gz UJTVFPVULRXZGW-INIZCTEOSA-N 1 0 326.444 2.979 50 0 EFAARO COCCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000032616967 202228507 /nfs/dbraw/zinc/22/85/07/202228507.db2.gz OSAPBOYJEGMDPT-UHFFFAOYSA-N 1 0 339.399 2.581 50 0 EFAARO Cc1ccccc1-c1noc(-c2cccnc2N2CC[NH+](C)CC2)n1 ZINC000033317760 202257793 /nfs/dbraw/zinc/25/77/93/202257793.db2.gz IAHNMQOZKFMUPI-UHFFFAOYSA-N 1 0 335.411 2.859 50 0 EFAARO Cc1cc(=O)oc2c(C)c(OC[C@H](O)CNc3cc[nH+]cc3)ccc12 ZINC000035686207 202308186 /nfs/dbraw/zinc/30/81/86/202308186.db2.gz QREZXPKESIUJPI-OAHLLOKOSA-N 1 0 340.379 2.657 50 0 EFAARO O=C([C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCCC1 ZINC000072270629 202359514 /nfs/dbraw/zinc/35/95/14/202359514.db2.gz KEIWJERWWKHGBJ-PKOBYXMFSA-N 1 0 338.455 2.953 50 0 EFAARO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)N(Cc1ccccc1)C1CC1 ZINC000072270750 202360040 /nfs/dbraw/zinc/36/00/40/202360040.db2.gz ZJBSPWVJGGUQFN-KRWDZBQOSA-N 1 0 338.455 2.780 50 0 EFAARO Cc1cn2c(n1)CC[C@H](NC(=O)c1cccc(C[NH+]3CCCC3)c1)C2 ZINC000072279183 202361492 /nfs/dbraw/zinc/36/14/92/202361492.db2.gz WYILJFVTRGIWJV-SFHVURJKSA-N 1 0 338.455 2.532 50 0 EFAARO COc1cc(C)ccc1C(=O)N1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000072478590 216256838 /nfs/dbraw/zinc/25/68/38/216256838.db2.gz QOLHYIRQYRVLHO-MRXNPFEDSA-N 1 0 346.471 2.577 50 0 EFAARO Cc1cnc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000072478748 216257072 /nfs/dbraw/zinc/25/70/72/216257072.db2.gz AIOOCOCKVIPIPG-UHFFFAOYSA-N 1 0 340.471 2.512 50 0 EFAARO CC(C)c1nccc(CN2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000072478433 216257587 /nfs/dbraw/zinc/25/75/87/216257587.db2.gz MQTIQMXFMNSGID-IYBDPMFKSA-N 1 0 332.492 2.674 50 0 EFAARO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000222198061 201033014 /nfs/dbraw/zinc/03/30/14/201033014.db2.gz XTAACWJUSHVDJG-CABCVRRESA-N 1 0 344.484 2.582 50 0 EFAARO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000058298975 201140980 /nfs/dbraw/zinc/14/09/80/201140980.db2.gz HKJPHUTUMOTLJF-APWZRJJASA-N 1 0 335.492 2.650 50 0 EFAARO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)NCc1ccccc1Cl ZINC000058218591 201142187 /nfs/dbraw/zinc/14/21/87/201142187.db2.gz AJXJEEVPFRHQRW-UHFFFAOYSA-N 1 0 346.862 2.949 50 0 EFAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000058392535 201142344 /nfs/dbraw/zinc/14/23/44/201142344.db2.gz DRZFMFSKMMGYGR-AWEZNQCLSA-N 1 0 330.476 2.953 50 0 EFAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(CO)c(F)c1 ZINC000065475485 201154299 /nfs/dbraw/zinc/15/42/99/201154299.db2.gz NSYALIWDRJKWPS-UHFFFAOYSA-N 1 0 334.439 2.531 50 0 EFAARO CCOc1nnc(CN2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)s1 ZINC000065514485 201155348 /nfs/dbraw/zinc/15/53/48/201155348.db2.gz WJOQACXVKXJQFN-ZDUSSCGKSA-N 1 0 333.461 2.574 50 0 EFAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1cc(Br)cs1)CC2 ZINC000065542859 201155594 /nfs/dbraw/zinc/15/55/94/201155594.db2.gz SFWJZTKEEZSJFH-JTQLQIEISA-N 1 0 327.251 2.515 50 0 EFAARO CC[C@]1(C)C[C@](O)(CC[NH2+]Cc2ccc(OC)c(OC)c2)CCO1 ZINC000001774015 201358863 /nfs/dbraw/zinc/35/88/63/201358863.db2.gz LYWNZVLBDLLGAO-MOPGFXCFSA-N 1 0 337.460 2.894 50 0 biogenic EFAARO Cn1cc(C[NH2+]C[C@H]2COc3ccccc3C2)c(-c2cccnc2)n1 ZINC000097159779 201379489 /nfs/dbraw/zinc/37/94/89/201379489.db2.gz UJTZPTRUIUFXHN-HNNXBMFYSA-N 1 0 334.423 2.823 50 0 EFAARO Cc1ccnc(NC[C@@H]2CC[N@H+](Cc3ccc4c(c3)OC(=O)C4)C2)c1 ZINC000097200807 201382045 /nfs/dbraw/zinc/38/20/45/201382045.db2.gz CJQVEDDUMFKCGU-INIZCTEOSA-N 1 0 337.423 2.786 50 0 EFAARO Cc1cn2nc(N3CC[C@@H](CNc4cc(C)cc[nH+]4)C3)sc2n1 ZINC000097200983 201382222 /nfs/dbraw/zinc/38/22/22/201382222.db2.gz ORUWHEARQYYWOS-ZDUSSCGKSA-N 1 0 328.445 2.741 50 0 EFAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1c[nH]nc1-c1cc3ccccc3o1)CC2 ZINC000097199373 201382272 /nfs/dbraw/zinc/38/22/72/201382272.db2.gz CCRMKQQKANBQNC-HNNXBMFYSA-N 1 0 348.410 2.827 50 0 EFAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1csc(Br)c1)CC2 ZINC000097199579 201382312 /nfs/dbraw/zinc/38/23/12/201382312.db2.gz DPBKSWTUZIMMEF-JTQLQIEISA-N 1 0 341.278 2.769 50 0 EFAARO Cc1cn2nc(N3CC[C@H](CNc4cccc(C)[nH+]4)C3)sc2n1 ZINC000097201006 201382617 /nfs/dbraw/zinc/38/26/17/201382617.db2.gz BLZMJJMUZWWCGT-CYBMUJFWSA-N 1 0 328.445 2.741 50 0 EFAARO Cc1cccc(NC[C@@H]2CCN(Cc3nc(-c4ccco4)no3)C2)[nH+]1 ZINC000097200929 201382635 /nfs/dbraw/zinc/38/26/35/201382635.db2.gz NIWAWOMPIKMMRA-AWEZNQCLSA-N 1 0 339.399 2.967 50 0 EFAARO CCn1cc(C2CC[NH+](C[C@@H](O)COCc3cccs3)CC2)cn1 ZINC000097200435 201382867 /nfs/dbraw/zinc/38/28/67/201382867.db2.gz OXHQKNDBSFWVQR-QGZVFWFLSA-N 1 0 349.500 2.722 50 0 EFAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1ccc(Br)s1)CC2 ZINC000097199595 201383327 /nfs/dbraw/zinc/38/33/27/201383327.db2.gz OAJACSNFLXIFPW-VIFPVBQESA-N 1 0 341.278 2.769 50 0 EFAARO Cc1cccc(NC[C@H]2CCN(Cc3nc(-c4ccco4)no3)C2)[nH+]1 ZINC000097200930 201383347 /nfs/dbraw/zinc/38/33/47/201383347.db2.gz NIWAWOMPIKMMRA-CQSZACIVSA-N 1 0 339.399 2.967 50 0 EFAARO O[C@@H](C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)c(F)c1 ZINC000097200705 201383402 /nfs/dbraw/zinc/38/34/02/201383402.db2.gz GFEUQYIYJZZJDC-GUYCJALGSA-N 1 0 333.382 2.827 50 0 EFAARO CCc1cc(NCc2ccccc2C[NH+]2CCCC2)n2ncnc2n1 ZINC000051455287 202640354 /nfs/dbraw/zinc/64/03/54/202640354.db2.gz XJXYXOQCFIQBBG-UHFFFAOYSA-N 1 0 336.443 2.895 50 0 EFAARO Cc1nc(C)n(C[C@H](C)C(=O)N(CC[NH+]2CCCCCC2)C(C)C)n1 ZINC000055392768 202692493 /nfs/dbraw/zinc/69/24/93/202692493.db2.gz DMEIMTQRDOJDRS-INIZCTEOSA-N 1 0 349.523 2.644 50 0 EFAARO COc1cccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1OC ZINC000023105492 212348234 /nfs/dbraw/zinc/34/82/34/212348234.db2.gz DKKYCUQSLMYGDB-CYBMUJFWSA-N 1 0 334.441 2.798 50 0 EFAARO COc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC000023105589 212347769 /nfs/dbraw/zinc/34/77/69/212347769.db2.gz DKBFAEMLRGZJKG-CQSZACIVSA-N 1 0 348.468 2.727 50 0 EFAARO COc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1OC ZINC000023105495 212347774 /nfs/dbraw/zinc/34/77/74/212347774.db2.gz DKKYCUQSLMYGDB-ZDUSSCGKSA-N 1 0 334.441 2.798 50 0 EFAARO COc1ccc(CC[N@H+](C)Cc2ccc(N(C)C)nc2)cc1OC ZINC000215042489 241102560 /nfs/dbraw/zinc/10/25/60/241102560.db2.gz FXHPROSOQYBYMO-UHFFFAOYSA-N 1 0 329.444 2.839 50 0 EFAARO Cc1nc2ccccc2nc1CN1CCC([NH+]2CCSCC2)CC1 ZINC000215226094 241113542 /nfs/dbraw/zinc/11/35/42/241113542.db2.gz RYDLEFBKLMVDHR-UHFFFAOYSA-N 1 0 342.512 2.951 50 0 EFAARO COc1ccc(-c2ncc(C[N@H+](C)[C@@H]3CCCC[C@@H]3O)cn2)cc1 ZINC000215249741 241115496 /nfs/dbraw/zinc/11/54/96/241115496.db2.gz BDEPKNJGYSREPN-MSOLQXFVSA-N 1 0 327.428 2.888 50 0 EFAARO COc1ccc(C[N@@H+]2CCCN(C(C)=O)CC2)c2c(OC)cccc12 ZINC000215695866 241140489 /nfs/dbraw/zinc/14/04/89/241140489.db2.gz VQEAOUKPFTUPMU-UHFFFAOYSA-N 1 0 342.439 2.911 50 0 EFAARO COc1ccc(C[N@H+](C)[C@H](C)c2ccccn2)cc1Cn1cncn1 ZINC000215810348 241147152 /nfs/dbraw/zinc/14/71/52/241147152.db2.gz CNTQBSIKRWHSOS-OAHLLOKOSA-N 1 0 337.427 2.923 50 0 EFAARO Cc1nccc(C2CC[NH+](CCn3c4ccccc4oc3=O)CC2)n1 ZINC000215883081 241154463 /nfs/dbraw/zinc/15/44/63/241154463.db2.gz ISHJRIJJLBYYSF-UHFFFAOYSA-N 1 0 338.411 2.573 50 0 EFAARO Cc1cc(C)n2ncc(C[N@@H+]3CCCC[C@H]3CCn3cccn3)c2n1 ZINC000216138756 241168466 /nfs/dbraw/zinc/16/84/66/241168466.db2.gz HCHBZKDVILXZPJ-SFHVURJKSA-N 1 0 338.459 2.987 50 0 EFAARO COCc1cc(C[NH+]2CCC(O)(c3cccnc3)CC2)ccc1OC ZINC000216232260 241175749 /nfs/dbraw/zinc/17/57/49/241175749.db2.gz YJGHESKBLBRNEQ-UHFFFAOYSA-N 1 0 342.439 2.720 50 0 EFAARO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000216249925 241177377 /nfs/dbraw/zinc/17/73/77/241177377.db2.gz YDMQGLQRSHFMKY-GFCCVEGCSA-N 1 0 333.819 2.792 50 0 EFAARO Fc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)cn1 ZINC000216334351 241183596 /nfs/dbraw/zinc/18/35/96/241183596.db2.gz CIIKNFOMHDESSS-CQSZACIVSA-N 1 0 326.379 2.509 50 0 EFAARO O=C(NC[C@@H](CO)Cc1ccsc1)c1cccc(-c2ncc[nH]2)c1 ZINC000216378104 241185967 /nfs/dbraw/zinc/18/59/67/241185967.db2.gz IBQVMULHUGDMOL-AWEZNQCLSA-N 1 0 341.436 2.719 50 0 EFAARO NC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(-c2cc[nH]n2)s1 ZINC000216376831 241187121 /nfs/dbraw/zinc/18/71/21/241187121.db2.gz GYFDTCCXDTUWTJ-INIZCTEOSA-N 1 0 338.436 2.550 50 0 EFAARO COCc1cc(C[NH+]2CCC(Oc3ncccn3)CC2)ccc1OC ZINC000216437816 241192958 /nfs/dbraw/zinc/19/29/58/241192958.db2.gz TZDAQUMXHXIOHB-UHFFFAOYSA-N 1 0 343.427 2.675 50 0 EFAARO CN1CC[N@H+](Cc2ccc(OCCc3ccccc3)cc2)CCC1=O ZINC000216505214 241198649 /nfs/dbraw/zinc/19/86/49/241198649.db2.gz HJTPPJSPVRLWNP-UHFFFAOYSA-N 1 0 338.451 2.972 50 0 EFAARO c1nn2cccnc2c1CN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000215520761 241131708 /nfs/dbraw/zinc/13/17/08/241131708.db2.gz UNGXDHGHBYRUHL-UHFFFAOYSA-N 1 0 349.482 2.870 50 0 EFAARO COc1ccc([C@@]2(C)N(O)[C@H](C)C(c3ccccc3)[N+]2=O)cc1OC ZINC000001174581 201500060 /nfs/dbraw/zinc/50/00/60/201500060.db2.gz HLBMHPXRVPUYOK-YJYMSZOUSA-N 1 0 342.395 2.969 50 0 EFAARO C[C@H](Cc1ccccn1)N(C)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000219903299 241419982 /nfs/dbraw/zinc/41/99/82/241419982.db2.gz UCBBFUOOZHNIST-MRXNPFEDSA-N 1 0 341.455 2.976 50 0 EFAARO CN(C)[C@@H](C(=O)NCCC12CCC[NH+]1CCC2)c1cccc(F)c1 ZINC000222502080 241520905 /nfs/dbraw/zinc/52/09/05/241520905.db2.gz IUHDQPJYVCEMME-QGZVFWFLSA-N 1 0 333.451 2.563 50 0 EFAARO Cc1noc(C)c1CO[C@@H]1COCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000223129895 241605019 /nfs/dbraw/zinc/60/50/19/241605019.db2.gz JUCMKUNOFSQGDI-WOJBJXKFSA-N 1 0 342.439 2.723 50 0 EFAARO CN(C)c1ccc(CC(=O)NCC2([NH+]3CCCC3)CCCC2)cc1 ZINC000223468492 241654382 /nfs/dbraw/zinc/65/43/82/241654382.db2.gz NUNNVGUNPLYQGQ-UHFFFAOYSA-N 1 0 329.488 2.820 50 0 EFAARO CC[NH+](CC)C[C@H](C)OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000001879866 201522413 /nfs/dbraw/zinc/52/24/13/201522413.db2.gz XGMLBSQKOYUTEI-LBPRGKRZSA-N 1 0 325.405 2.600 50 0 EFAARO CCc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000003165772 201559252 /nfs/dbraw/zinc/55/92/52/201559252.db2.gz VXBUTCSCQAHWCJ-UHFFFAOYSA-N 1 0 331.460 2.613 50 0 EFAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCC(N)=O ZINC000004954561 201628907 /nfs/dbraw/zinc/62/89/07/201628907.db2.gz OLFIFJGWYUDIHV-UHFFFAOYSA-N 1 0 344.455 2.618 50 0 EFAARO CCC1=NO[C@@H](CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)C1 ZINC000244691865 243060952 /nfs/dbraw/zinc/06/09/52/243060952.db2.gz JKIUUFBGVBFUTQ-HXUWFJFHSA-N 1 0 327.472 2.716 50 0 EFAARO CCc1nnc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)s1 ZINC000244708337 243064361 /nfs/dbraw/zinc/06/43/61/243064361.db2.gz KRWRGMRWSFHIMK-UHFFFAOYSA-N 1 0 348.472 2.855 50 0 EFAARO Cc1nc2c(c(C)n1)C[C@@H](C[N@@H+](C)Cc1ccc3nsnc3c1)O2 ZINC000244708000 243064604 /nfs/dbraw/zinc/06/46/04/243064604.db2.gz KLRIYGRBIDLXOR-ZDUSSCGKSA-N 1 0 341.440 2.534 50 0 EFAARO Cc1ccc(C)c([C@H](C)NC(=O)CN2CC([NH+]3CCCCC3)C2)c1 ZINC000243892366 243026499 /nfs/dbraw/zinc/02/64/99/243026499.db2.gz AGVOYGGPBPHXGA-KRWDZBQOSA-N 1 0 329.488 2.651 50 0 EFAARO Cc1nc(CC2CC[NH+](C[C@H]3CC(c4ccccc4)=NO3)CC2)no1 ZINC000243902093 243033106 /nfs/dbraw/zinc/03/31/06/243033106.db2.gz BFVGMAXTSVNMGV-QGZVFWFLSA-N 1 0 340.427 2.826 50 0 EFAARO Cc1ccccc1N1CCCN(c2cc([C@H]3C[C@H]([NH3+])C3)ncn2)CC1 ZINC000244574946 243041178 /nfs/dbraw/zinc/04/11/78/243041178.db2.gz CTZKEHWEGNPAMR-QAQDUYKDSA-N 1 0 337.471 2.706 50 0 EFAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)NCCC[C@H]1CCOC1 ZINC000244575031 243042631 /nfs/dbraw/zinc/04/26/31/243042631.db2.gz CVNPNKXVEDIVJE-KRWDZBQOSA-N 1 0 330.472 2.799 50 0 EFAARO c1ccc(C[N@@H+]2CCCO[C@H](CN3CC(c4ccccn4)C3)C2)cc1 ZINC000244620007 243044263 /nfs/dbraw/zinc/04/42/63/243044263.db2.gz FKDXVESXZVKROR-FQEVSTJZSA-N 1 0 337.467 2.772 50 0 EFAARO Cc1ccc(F)c(C(=O)NCC2([NH+](C)C)CCOCC2)c1Cl ZINC000244626720 243047398 /nfs/dbraw/zinc/04/73/98/243047398.db2.gz FRGXKRDQPROQLT-UHFFFAOYSA-N 1 0 328.815 2.628 50 0 EFAARO COCc1nc(NCCCc2scnc2C)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244633588 243048468 /nfs/dbraw/zinc/04/84/68/243048468.db2.gz GFNANDNQFHAYBX-BETUJISGSA-N 1 0 347.488 2.637 50 0 EFAARO NC(=O)c1ccc(OCCC[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000244641233 243049243 /nfs/dbraw/zinc/04/92/43/243049243.db2.gz GLUQDCFPUPATRW-SFHVURJKSA-N 1 0 325.412 2.787 50 0 EFAARO CCn1nc(C)c([C@H](C)NC(=O)CSCC[NH+]2CCCC2)c1C ZINC000244646884 243050006 /nfs/dbraw/zinc/05/00/06/243050006.db2.gz GQUNTFYUTGUXMG-ZDUSSCGKSA-N 1 0 338.521 2.526 50 0 EFAARO CN(CC(=O)NCC1([NH+]2CCCC2)CCCC1)Cc1ccc(F)cc1 ZINC000244673858 243055026 /nfs/dbraw/zinc/05/50/26/243055026.db2.gz HWVNRPKRFHBJMK-UHFFFAOYSA-N 1 0 347.478 2.782 50 0 EFAARO CC(C)(C)c1csc(NC(=O)CN2CCC[N@@H+]3CCC[C@H]3C2)n1 ZINC000244673608 243055436 /nfs/dbraw/zinc/05/54/36/243055436.db2.gz HSIHYAFBRPFLOG-ZDUSSCGKSA-N 1 0 336.505 2.549 50 0 EFAARO Cc1nc(CNC(=O)CC[NH+]2CCCCCCC2)nc2c1CCCC2 ZINC000063847438 202809990 /nfs/dbraw/zinc/80/99/90/202809990.db2.gz ZTQVMIRXMYGCDO-UHFFFAOYSA-N 1 0 344.503 2.936 50 0 EFAARO C[N@H+](CC1CCOCC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000244773970 243078445 /nfs/dbraw/zinc/07/84/45/243078445.db2.gz PJODVCYSDCCOHL-HXUWFJFHSA-N 1 0 332.488 2.636 50 0 EFAARO C[N@H+](CC1CCOCC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000244773969 243079636 /nfs/dbraw/zinc/07/96/36/243079636.db2.gz PJODVCYSDCCOHL-FQEVSTJZSA-N 1 0 332.488 2.636 50 0 EFAARO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000244873589 243090169 /nfs/dbraw/zinc/09/01/69/243090169.db2.gz WSOPNPRAOFHVLW-KRWDZBQOSA-N 1 0 341.386 2.700 50 0 EFAARO Cc1cc(C)n(CCC(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000244873494 243090644 /nfs/dbraw/zinc/09/06/44/243090644.db2.gz WRGKZPOKIVDXMN-MRXNPFEDSA-N 1 0 346.500 2.732 50 0 EFAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)C1(c2ccccc2)CCCCC1 ZINC000244873369 243092765 /nfs/dbraw/zinc/09/27/65/243092765.db2.gz WOYJXXUXNXYKTN-GOSISDBHSA-N 1 0 344.499 2.709 50 0 EFAARO CNc1cc([C@H]2C[C@H]([NH2+]C3Cc4ccccc4C3)C2)nc(COC)n1 ZINC000244723786 243068672 /nfs/dbraw/zinc/06/86/72/243068672.db2.gz MHJUGCLVQPSFDO-JCNLHEQBSA-N 1 0 338.455 2.668 50 0 EFAARO O=C(C[NH+]1CCCCCCC1)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000244719173 243069226 /nfs/dbraw/zinc/06/92/26/243069226.db2.gz LYFYNBLIKGDRBF-UFYCRDLUSA-N 1 0 344.499 2.751 50 0 EFAARO CCN(CCNc1cc([C@H]2C[C@H]([NH3+])C2)ncn1)c1cccc(C)c1 ZINC000244723804 243070696 /nfs/dbraw/zinc/07/06/96/243070696.db2.gz MHQPGVPRLXKQBL-WKILWMFISA-N 1 0 325.460 2.928 50 0 EFAARO CCN(C(=O)CCN1CCC[N@@H+]2CCC[C@H]2C1)c1ccccc1C ZINC000244748467 243072717 /nfs/dbraw/zinc/07/27/17/243072717.db2.gz OHZFFBROTRACOE-SFHVURJKSA-N 1 0 329.488 2.908 50 0 EFAARO CCN1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 ZINC000020756503 212170119 /nfs/dbraw/zinc/17/01/19/212170119.db2.gz ZHDOMMQABWFEMM-JFQNMGATSA-N 1 0 346.515 2.938 50 0 biogenic EFAARO Cc1cccc(OCC[NH2+]CCn2ncc3ccccc3c2=O)c1C ZINC000065373728 202839590 /nfs/dbraw/zinc/83/95/90/202839590.db2.gz LKBSFDMWVIWPCC-UHFFFAOYSA-N 1 0 337.423 2.682 50 0 EFAARO C[C@@]1(C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)CCC[NH2+]C1 ZINC000067588805 202920187 /nfs/dbraw/zinc/92/01/87/202920187.db2.gz GLJXBVJUULPZRL-LJQANCHMSA-N 1 0 343.402 2.755 50 0 EFAARO O=C(NCc1cccnc1N1CCCCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000067886541 202944393 /nfs/dbraw/zinc/94/43/93/202944393.db2.gz YOMIAHYNSADQRZ-KRWDZBQOSA-N 1 0 344.503 2.858 50 0 EFAARO Cc1cccc(Cn2nc([C@H]3CCC[NH2+]C3)n(-c3ccccc3)c2=O)c1 ZINC000067655083 202922128 /nfs/dbraw/zinc/92/21/28/202922128.db2.gz MIMLSERNZKIEQE-SFHVURJKSA-N 1 0 348.450 2.858 50 0 EFAARO CCn1c(=O)n(C)nc1C1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000067773522 202933626 /nfs/dbraw/zinc/93/36/26/202933626.db2.gz VBJFQNDZMWXHKY-UHFFFAOYSA-N 1 0 328.460 2.598 50 0 EFAARO O=C(CCCCc1ccccc1)N[C@H]([C@H]1C[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000252548764 243855255 /nfs/dbraw/zinc/85/52/55/243855255.db2.gz QKJAIFKAADSKSY-ZVDOUQERSA-N 1 0 344.499 2.655 50 0 EFAARO Cc1c2ccccc2[nH]c1CN(C)c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000252552183 243861067 /nfs/dbraw/zinc/86/10/67/243861067.db2.gz UQICVKLGGAQRET-BETUJISGSA-N 1 0 337.427 2.723 50 0 EFAARO Cc1ccccc1N1CCC([NH2+][C@H]2C[C@H](c3cc(=O)[nH]cn3)C2)CC1 ZINC000253534784 244006165 /nfs/dbraw/zinc/00/61/65/244006165.db2.gz CSMIYYOLFDFSNZ-JCNLHEQBSA-N 1 0 338.455 2.995 50 0 EFAARO Cn1ccnc1-c1ccccc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000071278575 203089043 /nfs/dbraw/zinc/08/90/43/203089043.db2.gz NXFZOCZMXANLDI-HNNXBMFYSA-N 1 0 326.444 2.549 50 0 EFAARO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(C)c1=O ZINC000253537385 244015804 /nfs/dbraw/zinc/01/58/04/244015804.db2.gz TZHABTPLZBFWFP-OAHLLOKOSA-N 1 0 337.427 2.826 50 0 EFAARO CCOCCOc1cccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000071576243 203099838 /nfs/dbraw/zinc/09/98/38/203099838.db2.gz WDSWCLDQEAFFEG-UHFFFAOYSA-N 1 0 346.471 2.708 50 0 EFAARO CCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071749748 203106007 /nfs/dbraw/zinc/10/60/07/203106007.db2.gz KWOQDDNQBOVGAH-IBGZPJMESA-N 1 0 343.515 2.889 50 0 EFAARO CC(C)[C@H]1CN(C(=O)c2ccn[nH]2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071760434 203108947 /nfs/dbraw/zinc/10/89/47/203108947.db2.gz RPDJIRNPSJXSAM-GOSISDBHSA-N 1 0 344.434 2.922 50 0 EFAARO CCn1c(=O)[nH]nc1CC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000071759070 203109784 /nfs/dbraw/zinc/10/97/84/203109784.db2.gz CQGDPYSSTSTDCW-UHFFFAOYSA-N 1 0 340.427 2.792 50 0 EFAARO OC[C@@H]1CCC[N@@H+](C2CCN(c3nccc(C4CCCC4)n3)CC2)C1 ZINC000071763602 203109922 /nfs/dbraw/zinc/10/99/22/203109922.db2.gz LZCZKFYCXCMLQY-MRXNPFEDSA-N 1 0 344.503 2.807 50 0 EFAARO CC[NH+]1CCN(C(C)(C)CNc2nc(C)cc(C3CCC3)n2)CC1 ZINC000071765411 203110700 /nfs/dbraw/zinc/11/07/00/203110700.db2.gz JYMJKAFLAMSSDB-UHFFFAOYSA-N 1 0 331.508 2.881 50 0 EFAARO CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2ccc(C)cc2)n1 ZINC000072117697 203163622 /nfs/dbraw/zinc/16/36/22/203163622.db2.gz BLXYALUJFRXPCO-UHFFFAOYSA-N 1 0 328.420 2.759 50 0 EFAARO Fc1cccc([C@H]2CN(c3ncccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1F ZINC000072128874 203164984 /nfs/dbraw/zinc/16/49/84/203164984.db2.gz OOJNUOXCDBNCEB-ZTFGCOKTSA-N 1 0 342.393 2.821 50 0 EFAARO [NH3+]C[C@H]1CCN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)C1 ZINC000072126331 203165488 /nfs/dbraw/zinc/16/54/88/203165488.db2.gz QNTPURFVQXIKBH-OAHLLOKOSA-N 1 0 335.411 2.507 50 0 EFAARO [NH3+]C[C@@H]1CCN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)C1 ZINC000072126332 203165526 /nfs/dbraw/zinc/16/55/26/203165526.db2.gz QNTPURFVQXIKBH-HNNXBMFYSA-N 1 0 335.411 2.507 50 0 EFAARO O=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000072132913 203166295 /nfs/dbraw/zinc/16/62/95/203166295.db2.gz IZCFUDZHGCRYNQ-CQSZACIVSA-N 1 0 325.412 2.641 50 0 EFAARO COc1ccccc1-n1cc(CN2CC([N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000072133663 203166676 /nfs/dbraw/zinc/16/66/76/203166676.db2.gz VMARGXKQDOAXRE-MRXNPFEDSA-N 1 0 340.471 2.940 50 0 EFAARO CN(Cc1noc2c1CCCC2)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072129480 203167221 /nfs/dbraw/zinc/16/72/21/203167221.db2.gz FACURWXTOOYMAY-AWEZNQCLSA-N 1 0 339.439 2.903 50 0 EFAARO NC(=O)c1ccc2cccc(OC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2n1 ZINC000072140546 203167584 /nfs/dbraw/zinc/16/75/84/203167584.db2.gz CLWGWKOKBCLNDO-DOTOQJQBSA-N 1 0 339.439 2.977 50 0 EFAARO Cc1nnc(CN(CCc2ccccc2)C2CC[NH+](C)CC2)s1 ZINC000072138958 203168041 /nfs/dbraw/zinc/16/80/41/203168041.db2.gz SPQIYZUHXDRNRM-UHFFFAOYSA-N 1 0 330.501 2.985 50 0 EFAARO Cc1noc(C)c1CN(Cc1cccnc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000072145347 203169360 /nfs/dbraw/zinc/16/93/60/203169360.db2.gz KHWXMEPNPMXQHF-LJQANCHMSA-N 1 0 326.444 2.783 50 0 EFAARO O=C(c1cccc(O)c1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072144254 203169548 /nfs/dbraw/zinc/16/95/48/203169548.db2.gz ZMMAMTXSMZGYQV-LJQANCHMSA-N 1 0 336.435 2.708 50 0 EFAARO CC[C@@H]1CN(c2cc(-c3ccccc3F)nc3ccnn32)CC[NH2+]1 ZINC000072145603 203170266 /nfs/dbraw/zinc/17/02/66/203170266.db2.gz ITJKJPURGUOJEA-CYBMUJFWSA-N 1 0 325.391 2.724 50 0 EFAARO Fc1cc(F)cc([C@@H]2CN(Cc3c[nH]cn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072148709 203171403 /nfs/dbraw/zinc/17/14/03/203171403.db2.gz RYJJYCCBKZXZAI-IPMKNSEASA-N 1 0 344.409 2.750 50 0 EFAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCCCc2ccccc2)CC1 ZINC000072151281 203173652 /nfs/dbraw/zinc/17/36/52/203173652.db2.gz PTQVTPMEDRTSLQ-FQEVSTJZSA-N 1 0 332.488 2.705 50 0 EFAARO COc1cc2c(cc1CN1CCC[C@@H]([NH+](C)C)CC1)OCCCO2 ZINC000072154474 203173998 /nfs/dbraw/zinc/17/39/98/203173998.db2.gz IXOOLCCLYJMTQY-MRXNPFEDSA-N 1 0 334.460 2.773 50 0 EFAARO O=C(C1CCC1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072161179 203175960 /nfs/dbraw/zinc/17/59/60/203175960.db2.gz WOBYOBZKBOKYJG-IPMKNSEASA-N 1 0 326.440 2.581 50 0 EFAARO C[NH+](C)[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000072158501 203176093 /nfs/dbraw/zinc/17/60/93/203176093.db2.gz GUDDYMFSFDGHQK-GOSISDBHSA-N 1 0 348.462 2.817 50 0 EFAARO COCCC[N@@H+]1C[C@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072163857 203177196 /nfs/dbraw/zinc/17/71/96/203177196.db2.gz PVCYRPZXTUODAZ-VAMGGRTRSA-N 1 0 330.472 2.594 50 0 EFAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)C(=O)CC(C)C)C1 ZINC000072162646 203177630 /nfs/dbraw/zinc/17/76/30/203177630.db2.gz UYGUUJSKZRUTKT-KRWDZBQOSA-N 1 0 331.460 2.510 50 0 EFAARO COc1ccccc1N1CC[N@H+](Cc2cccc3nonc32)[C@H](C)C1 ZINC000072166320 203178633 /nfs/dbraw/zinc/17/86/33/203178633.db2.gz NBKNMEMLRMVNPK-CQSZACIVSA-N 1 0 338.411 2.942 50 0 EFAARO Cc1ccccc1-n1cccc1CN1CCOC[C@@H](C[NH+](C)C)C1 ZINC000072166565 203179120 /nfs/dbraw/zinc/17/91/20/203179120.db2.gz HVXWPJWLTZRNLF-SFHVURJKSA-N 1 0 327.472 2.796 50 0 EFAARO COc1cc(N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)ncn1 ZINC000072167149 203179746 /nfs/dbraw/zinc/17/97/46/203179746.db2.gz FMXBTBDNWHBSPS-KRWDZBQOSA-N 1 0 326.444 2.629 50 0 EFAARO COCCC[N@@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072170077 203181432 /nfs/dbraw/zinc/18/14/32/203181432.db2.gz RHCQSFCCMSCGNL-KFKAGJAMSA-N 1 0 336.426 2.863 50 0 EFAARO Cc1nc(CCNC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)sc1C ZINC000072168414 203181445 /nfs/dbraw/zinc/18/14/45/203181445.db2.gz UYRJJXYGBHLAJL-CQSZACIVSA-N 1 0 329.469 2.809 50 0 EFAARO c1ccc(CCc2noc(-c3ccc(N[C@@H]4CC[NH2+]C4)nc3)n2)cc1 ZINC000072173953 203182337 /nfs/dbraw/zinc/18/23/37/203182337.db2.gz CABJKGSIVIURNX-MRXNPFEDSA-N 1 0 335.411 2.691 50 0 EFAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)c1ccc(=O)n(C)c1 ZINC000072436638 203224507 /nfs/dbraw/zinc/22/45/07/203224507.db2.gz IBMDQMMYLRMADL-UHFFFAOYSA-N 1 0 345.487 2.646 50 0 EFAARO CN(C[C@@]1(C)CC[N@H+](C)C1)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072448136 203227134 /nfs/dbraw/zinc/22/71/34/203227134.db2.gz DDJRMUGZIPQICQ-FQEVSTJZSA-N 1 0 332.488 2.804 50 0 EFAARO CSc1cccc(-n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c1 ZINC000072467994 203229843 /nfs/dbraw/zinc/22/98/43/203229843.db2.gz UJXGALSKRNMXCP-UHFFFAOYSA-N 1 0 325.441 2.951 50 0 EFAARO CC(C)CN1C(=O)CC[C@H]2C[N@@H+](Cc3cccc4nonc43)CC[C@H]21 ZINC000072475172 203230401 /nfs/dbraw/zinc/23/04/01/203230401.db2.gz OJBPPVTYCDYRNS-WMLDXEAASA-N 1 0 342.443 2.692 50 0 EFAARO c1ccc(-c2nc3c(c(N4Cc5ccccc5C4)n2)CC[NH2+]CC3)nc1 ZINC000072474600 203231235 /nfs/dbraw/zinc/23/12/35/203231235.db2.gz ZLZRLNCPDKAONH-UHFFFAOYSA-N 1 0 343.434 2.747 50 0 EFAARO [NH3+]C[C@H]1CCCN(c2cc(-c3ccccc3F)nc3ccnn32)C1 ZINC000072406970 203215719 /nfs/dbraw/zinc/21/57/19/203215719.db2.gz XVEFZSAGQIYHBZ-CYBMUJFWSA-N 1 0 325.391 2.711 50 0 EFAARO C[N@H+](CCC(=O)Nc1ccc(Cn2cncn2)cc1)Cc1ccccc1 ZINC000072406000 203215743 /nfs/dbraw/zinc/21/57/43/203215743.db2.gz NUTNQGPBFOQFAC-UHFFFAOYSA-N 1 0 349.438 2.787 50 0 EFAARO Cc1cccnc1[C@@H](C)Nc1nc(CC2CC2)nc2c1CC[NH2+]CC2 ZINC000072408057 203215946 /nfs/dbraw/zinc/21/59/46/203215946.db2.gz UZCCAXFGYHCJNR-CQSZACIVSA-N 1 0 337.471 2.994 50 0 EFAARO CCc1cc(N2CCN(c3cc(C)[nH+]c(C)c3)CC2)n2nccc2n1 ZINC000072406972 203216034 /nfs/dbraw/zinc/21/60/34/203216034.db2.gz PMEWIXHFLAZMEV-UHFFFAOYSA-N 1 0 336.443 2.630 50 0 EFAARO CSc1ccc(CC(=O)NCc2c(C)ncc3c2CC[NH2+]C3)cc1 ZINC000072479834 203233101 /nfs/dbraw/zinc/23/31/01/203233101.db2.gz WRLPYDOCBYBYSN-UHFFFAOYSA-N 1 0 341.480 2.617 50 0 EFAARO Cc1ccc([C@@H]2CN(Cc3nccn3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072410591 203217083 /nfs/dbraw/zinc/21/70/83/203217083.db2.gz RMGUYRLXOIJRGC-CEWLAPEOSA-N 1 0 336.483 2.791 50 0 EFAARO O=C(CCCc1cn[nH]c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000072418320 203218700 /nfs/dbraw/zinc/21/87/00/203218700.db2.gz LMGOHTDVZXMFCU-UHFFFAOYSA-N 1 0 332.473 2.528 50 0 EFAARO C[C@H](Cn1cccn1)Nc1nc(-c2ccccc2)nc2c1CC[NH2+]CC2 ZINC000072420068 203218778 /nfs/dbraw/zinc/21/87/78/203218778.db2.gz OOXQONBCPAUVCY-OAHLLOKOSA-N 1 0 348.454 2.529 50 0 EFAARO Cn1ncc2c1nc(C1CCCC1)nc2N[C@@H]1C[NH+]2CCC1CC2 ZINC000072418907 203218832 /nfs/dbraw/zinc/21/88/32/203218832.db2.gz DWJXMKRUKGAMEE-OAHLLOKOSA-N 1 0 326.448 2.527 50 0 EFAARO Cc1ncc2c(c1CNC(=O)c1ccnc3ccccc31)CC[NH2+]C2 ZINC000072419330 203219066 /nfs/dbraw/zinc/21/90/66/203219066.db2.gz WDIZNEWBXSTANZ-UHFFFAOYSA-N 1 0 332.407 2.514 50 0 EFAARO CCOCc1nc2c(c(N[C@H](C)c3nc(C)cs3)n1)CC[NH2+]CC2 ZINC000072421077 203220723 /nfs/dbraw/zinc/22/07/23/203220723.db2.gz HWGINWLDPRXPMV-GFCCVEGCSA-N 1 0 347.488 2.639 50 0 EFAARO OC[C@]1(O)CCC[N@H+](Cc2cnc(-c3cccc4ccccc43)nc2)C1 ZINC000072430648 203222420 /nfs/dbraw/zinc/22/24/20/203222420.db2.gz AWJOITPVXCNZEI-NRFANRHFSA-N 1 0 349.434 2.616 50 0 EFAARO c1cn(-c2cccc(-c3cnco3)c2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072428308 203222678 /nfs/dbraw/zinc/22/26/78/203222678.db2.gz UKFZEZAUIXKURF-UHFFFAOYSA-N 1 0 346.394 2.884 50 0 EFAARO Cc1nccn1-c1ccccc1CNc1nc(C)nc2c1CC[NH2+]CC2 ZINC000072428231 203223388 /nfs/dbraw/zinc/22/33/88/203223388.db2.gz ZWNXSIRTVRYFQS-UHFFFAOYSA-N 1 0 348.454 2.579 50 0 EFAARO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000072435939 203223822 /nfs/dbraw/zinc/22/38/22/203223822.db2.gz INXDKACUEVNVDU-MRXNPFEDSA-N 1 0 340.475 2.580 50 0 EFAARO CC(C)c1noc(-c2ccc(NCCC[N@@H+]3CCC[C@H](O)C3)nc2)n1 ZINC000072436504 203223851 /nfs/dbraw/zinc/22/38/51/203223851.db2.gz AIFGGMHRZJHDBQ-HNNXBMFYSA-N 1 0 345.447 2.514 50 0 EFAARO O=C1CC[C@H]2CN(c3cc[nH+]cc3)CC[C@H]2N1CCc1ccccn1 ZINC000072438387 203224089 /nfs/dbraw/zinc/22/40/89/203224089.db2.gz VFYYXXFEQPGWLK-QFBILLFUSA-N 1 0 336.439 2.537 50 0 EFAARO CC(C)CCN1CC2(CCN([C@H](C)CC[NH+](C)C)CC2)OC1=O ZINC000072480512 203233235 /nfs/dbraw/zinc/23/32/35/203233235.db2.gz KZSSXFJGUASKAW-MRXNPFEDSA-N 1 0 325.497 2.660 50 0 EFAARO CC(C)c1noc(-c2ccc(NCCC[N@@H+]3CCC[C@@H](O)C3)nc2)n1 ZINC000072436506 203224268 /nfs/dbraw/zinc/22/42/68/203224268.db2.gz AIFGGMHRZJHDBQ-OAHLLOKOSA-N 1 0 345.447 2.514 50 0 EFAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccncc1 ZINC000075733977 203322483 /nfs/dbraw/zinc/32/24/83/203322483.db2.gz YQLYWCVFZMQRPL-QGZVFWFLSA-N 1 0 328.412 2.938 50 0 EFAARO Cc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)ccc1Cl ZINC000077301219 203377718 /nfs/dbraw/zinc/37/77/18/203377718.db2.gz MFZIEYLHMVMZLP-SFHVURJKSA-N 1 0 336.863 2.711 50 0 EFAARO CC(C)n1cc(C(=O)NC2CC[NH+](Cc3cccc(O)c3)CC2)cn1 ZINC000077298334 203378311 /nfs/dbraw/zinc/37/83/11/203378311.db2.gz QATUIPYTHNYBFF-UHFFFAOYSA-N 1 0 342.443 2.564 50 0 EFAARO Cc1cc(C2CCC2)nc(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000077321971 203379524 /nfs/dbraw/zinc/37/95/24/203379524.db2.gz PAMRNSKVOFBECC-UHFFFAOYSA-N 1 0 330.476 2.601 50 0 EFAARO COc1ccc(CN2CC[C@](O)(C[NH+]3CCCCC3)C2)cc1Cl ZINC000077321243 203379670 /nfs/dbraw/zinc/37/96/70/203379670.db2.gz XOMGSMZRWNPQEM-SFHVURJKSA-N 1 0 338.879 2.771 50 0 EFAARO Cc1cc(N2CCN(C(=O)c3n[nH]c4ccccc43)CC2)cc(C)[nH+]1 ZINC000077340338 203381684 /nfs/dbraw/zinc/38/16/84/203381684.db2.gz DEUMCENPLPCTLD-UHFFFAOYSA-N 1 0 335.411 2.537 50 0 EFAARO CN(c1ncccc1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)C1CCCCC1 ZINC000077338331 203381838 /nfs/dbraw/zinc/38/18/38/203381838.db2.gz GHXIDWNBTGMRKF-MAUKXSAKSA-N 1 0 342.487 2.627 50 0 EFAARO O=C(CC[NH+]1CCCC1)N1CCC[C@@H](COc2cccc(F)c2)C1 ZINC000077375421 203383727 /nfs/dbraw/zinc/38/37/27/203383727.db2.gz MKZTXEDNVZRLRK-MRXNPFEDSA-N 1 0 334.435 2.929 50 0 EFAARO O[C@@H](COCc1ccccc1F)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019794761 212068956 /nfs/dbraw/zinc/06/89/56/212068956.db2.gz 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ZINC000077406731 203386131 /nfs/dbraw/zinc/38/61/31/203386131.db2.gz CUOIZHLVWXRCDT-HXUWFJFHSA-N 1 0 346.519 2.565 50 0 EFAARO Cc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000077391665 203386299 /nfs/dbraw/zinc/38/62/99/203386299.db2.gz PRBOYQODQVQCLC-LJQANCHMSA-N 1 0 340.471 2.753 50 0 EFAARO Cc1cccc(C[NH+]2CCC(c3nnc(CN(C)C)n3C)CC2)c1 ZINC000077406106 203386649 /nfs/dbraw/zinc/38/66/49/203386649.db2.gz JSOLFGINPZQHCA-UHFFFAOYSA-N 1 0 327.476 2.565 50 0 EFAARO c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000077421445 203386917 /nfs/dbraw/zinc/38/69/17/203386917.db2.gz RKLWXJHUJXNHGL-GOSISDBHSA-N 1 0 341.455 2.733 50 0 EFAARO c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000077420263 203387039 /nfs/dbraw/zinc/38/70/39/203387039.db2.gz VEHLYEPJJIBDGZ-LJQANCHMSA-N 1 0 341.455 2.749 50 0 EFAARO COc1ccc2[nH]nc(C(=O)N(C)C[C@H]3CCC[N@@H+](C(C)C)C3)c2c1 ZINC000077407415 203387176 /nfs/dbraw/zinc/38/71/76/203387176.db2.gz UBDBSAFTUJCCDM-CQSZACIVSA-N 1 0 344.459 2.764 50 0 EFAARO CC(C)c1ncc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cn1 ZINC000077407309 203387289 /nfs/dbraw/zinc/38/72/89/203387289.db2.gz ZMXSBTDSVIJDBN-HXUWFJFHSA-N 1 0 342.487 2.967 50 0 EFAARO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000077423139 203387621 /nfs/dbraw/zinc/38/76/21/203387621.db2.gz ZFPRTPCZAKVWGR-KRWDZBQOSA-N 1 0 332.419 2.585 50 0 EFAARO c1nn(CCC[NH2+][C@H]2CCOC3(CCOCC3)C2)c2ccccc12 ZINC000077437881 203388493 /nfs/dbraw/zinc/38/84/93/203388493.db2.gz VPBUUDLWJCETAI-KRWDZBQOSA-N 1 0 329.444 2.744 50 0 EFAARO CN(C)c1cccc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)c1 ZINC000077438483 203388718 /nfs/dbraw/zinc/38/87/18/203388718.db2.gz RWWPAVHWBNWUAP-FQEVSTJZSA-N 1 0 337.467 2.881 50 0 EFAARO O=C(c1ccc2sccc2c1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077455864 203389022 /nfs/dbraw/zinc/38/90/22/203389022.db2.gz RESUWZGYDXVLLJ-IBGZPJMESA-N 1 0 344.480 2.964 50 0 EFAARO Cc1ccc(OC2(C(=O)N(C)[C@@H](C)c3ccon3)CC[NH2+]CC2)cc1 ZINC000077455416 203389597 /nfs/dbraw/zinc/38/95/97/203389597.db2.gz VPJHSLIHBSBMAN-HNNXBMFYSA-N 1 0 343.427 2.704 50 0 EFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000077487692 203391383 /nfs/dbraw/zinc/39/13/83/203391383.db2.gz TUDMNEYRUMWZHH-LJQANCHMSA-N 1 0 347.478 2.734 50 0 EFAARO COc1ccc(OC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000077487053 203391688 /nfs/dbraw/zinc/39/16/88/203391688.db2.gz LSPNQULYPVXZEX-GOSISDBHSA-N 1 0 332.444 2.549 50 0 EFAARO COc1ccc(OC2CCN(C(=O)C[N@H+](C)C3CCCC3)CC2)cc1 ZINC000077516737 203392755 /nfs/dbraw/zinc/39/27/55/203392755.db2.gz YYDBPKJPDZPHAE-UHFFFAOYSA-N 1 0 346.471 2.939 50 0 EFAARO O=C(c1cccc2ccccc21)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077517974 203393348 /nfs/dbraw/zinc/39/33/48/203393348.db2.gz AAHLLDBGMJBWEO-NRFANRHFSA-N 1 0 338.451 2.903 50 0 EFAARO c1cnn(-c2ccc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)cc2)c1 ZINC000077522139 203393781 /nfs/dbraw/zinc/39/37/81/203393781.db2.gz KMDGYZVWTOOHJS-KRWDZBQOSA-N 1 0 327.428 2.690 50 0 EFAARO CCc1c(C)scc1C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000077542001 203394622 /nfs/dbraw/zinc/39/46/22/203394622.db2.gz QEEIHZNNJUDTTG-UHFFFAOYSA-N 1 0 329.469 2.898 50 0 EFAARO Cc1ncc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)s1 ZINC000077542358 203395008 /nfs/dbraw/zinc/39/50/08/203395008.db2.gz MAWRWEJPSOPVSN-UHFFFAOYSA-N 1 0 341.480 2.767 50 0 EFAARO C/C=C/C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077539030 203395119 /nfs/dbraw/zinc/39/51/19/203395119.db2.gz RGDUAMKJBLWDGG-NUALSEBGSA-N 1 0 327.472 2.905 50 0 EFAARO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000019772729 212064001 /nfs/dbraw/zinc/06/40/01/212064001.db2.gz AUXMGDFJIRXPGJ-FQEVSTJZSA-N 1 0 340.467 2.865 50 0 EFAARO Cc1nc(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)sc1Cl ZINC000082097436 203495080 /nfs/dbraw/zinc/49/50/80/203495080.db2.gz ASLTYADDRSHHKW-GFCCVEGCSA-N 1 0 330.881 2.965 50 0 EFAARO COc1ccccc1CC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000082166558 203499671 /nfs/dbraw/zinc/49/96/71/203499671.db2.gz OAMBFQDQGLGQAQ-UHFFFAOYSA-N 1 0 339.439 2.680 50 0 EFAARO CC(C)n1cnnc1C[N@@H+]1CC[C@@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091645088 203643676 /nfs/dbraw/zinc/64/36/76/203643676.db2.gz TZZMFQJVCKJSSP-LJQANCHMSA-N 1 0 345.491 2.616 50 0 EFAARO COc1ccc([C@@H]2C[N@H+](CCc3c(C)noc3C)C[C@H]2N(C)C)cc1 ZINC000091665616 203645480 /nfs/dbraw/zinc/64/54/80/203645480.db2.gz XYQFNQSUNHWINP-VQTJNVASSA-N 1 0 343.471 2.872 50 0 EFAARO CNC(=O)c1ccc(OC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000095510990 203753186 /nfs/dbraw/zinc/75/31/86/203753186.db2.gz SDUMXBPKWDWDDA-UHFFFAOYSA-N 1 0 332.444 2.841 50 0 EFAARO C[C@@H]1Cc2cc(NC(=O)N3CCN(c4cc[nH+]cc4)CC3)ccc2O1 ZINC000095513141 203753474 /nfs/dbraw/zinc/75/34/74/203753474.db2.gz SIJQVZUDAXMLAI-CQSZACIVSA-N 1 0 338.411 2.759 50 0 EFAARO C[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1ccccc1 ZINC000090728222 296165287 /nfs/dbraw/zinc/16/52/87/296165287.db2.gz HGOOISFRTZCVFQ-OIISXLGYSA-N 1 0 334.460 2.955 50 0 EFAARO CCN(C)C(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000216523299 284272807 /nfs/dbraw/zinc/27/28/07/284272807.db2.gz UOCXLAUURVHQSB-LJQANCHMSA-N 1 0 349.494 2.836 50 0 EFAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000000176523 206208434 /nfs/dbraw/zinc/20/84/34/206208434.db2.gz AKVSDAFSURZRKP-UHFFFAOYSA-N 1 0 338.835 2.944 50 0 EFAARO COc1cc(C[N@H+](C)C2CCN(C)CC2)cc(Br)c1O ZINC000000199578 206210002 /nfs/dbraw/zinc/21/00/02/206210002.db2.gz YZXRGTDIIBSHEK-UHFFFAOYSA-N 1 0 343.265 2.689 50 0 EFAARO Nc1cc(N)[nH+]c(SCc2noc(-c3ccc(Cl)cc3)n2)n1 ZINC000000460145 206241068 /nfs/dbraw/zinc/24/10/68/206241068.db2.gz BCUKXKDYZLPPGM-UHFFFAOYSA-N 1 0 334.792 2.637 50 0 EFAARO CC(C)Cc1cc(CSc2nnc(C3CC[NH2+]CC3)n2C)no1 ZINC000426409264 247277466 /nfs/dbraw/zinc/27/74/66/247277466.db2.gz YWLYPRREESDXLW-UHFFFAOYSA-N 1 0 335.477 2.761 50 0 EFAARO O=C(NCC[C@@H]1CCCC[N@@H+]1C1CCCC1)c1cccn2cnnc12 ZINC000426477889 247284580 /nfs/dbraw/zinc/28/45/80/247284580.db2.gz JPSZURHDINLBMT-INIZCTEOSA-N 1 0 341.459 2.646 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cccc4cc[nH]c43)[C@H]1C[C@H](OCCO)CC2 ZINC000426474117 247284660 /nfs/dbraw/zinc/28/46/60/247284660.db2.gz FVHHUUWAZYSTFC-WSTZPKSXSA-N 1 0 344.455 2.689 50 0 EFAARO CC[N@@H+]1CCC[C@@](C)(C(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000426489983 247286739 /nfs/dbraw/zinc/28/67/39/247286739.db2.gz GAFDDVYAYSAQDF-HXUWFJFHSA-N 1 0 329.488 2.985 50 0 EFAARO COCCCSc1nnc(C[NH3+])n1-c1cccc(C(F)(F)F)c1 ZINC000426492773 247287128 /nfs/dbraw/zinc/28/71/28/247287128.db2.gz IEUZCILOBBQCSY-UHFFFAOYSA-N 1 0 346.378 2.873 50 0 EFAARO C[C@H](c1ccc(-c2n[nH]c(C(=O)N(C)C)n2)cc1)[NH+]1CCCCC1 ZINC000426504087 247289385 /nfs/dbraw/zinc/28/93/85/247289385.db2.gz UIMDDZJAXISJNV-CYBMUJFWSA-N 1 0 327.432 2.720 50 0 EFAARO C[C@H](CCC(=O)N1CC(c2nc3ccccc3[nH]2)C1)[NH+]1CCCC1 ZINC000426496634 247289405 /nfs/dbraw/zinc/28/94/05/247289405.db2.gz DWHRTZAKBBSOHC-CQSZACIVSA-N 1 0 326.444 2.753 50 0 EFAARO Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000426513594 247291250 /nfs/dbraw/zinc/29/12/50/247291250.db2.gz GXRVHAPYVNLZOW-CQSZACIVSA-N 1 0 330.432 2.689 50 0 EFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC(Oc3ccc(F)cc3)C2)C1 ZINC000426370095 247269613 /nfs/dbraw/zinc/26/96/13/247269613.db2.gz SQGNQTRYPWOLCK-HNNXBMFYSA-N 1 0 349.450 2.719 50 0 EFAARO O=C(NCc1cc(F)ccc1F)N1CC[NH+](CC2CCCC2)CC1 ZINC000426372542 247270295 /nfs/dbraw/zinc/27/02/95/247270295.db2.gz YJJIASYLGVQKOQ-UHFFFAOYSA-N 1 0 337.414 2.982 50 0 EFAARO CC[NH+](CC)CCN(C)C(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001711004 284609975 /nfs/dbraw/zinc/60/99/75/284609975.db2.gz RLVOXIZSDNBIGX-UHFFFAOYSA-N 1 0 340.467 2.723 50 0 EFAARO O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000082127250 284689933 /nfs/dbraw/zinc/68/99/33/284689933.db2.gz SCHYHBMGVIRPNI-CALCHBBNSA-N 1 0 332.407 2.578 50 0 EFAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)C1 ZINC000091426913 218004121 /nfs/dbraw/zinc/00/41/21/218004121.db2.gz QGBGWJURGDFFTH-OAHLLOKOSA-N 1 0 342.443 2.642 50 0 EFAARO O=C1NCCC[C@@]12CC[N@@H+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC000091425851 218004227 /nfs/dbraw/zinc/00/42/27/218004227.db2.gz UTKMDKSKSLDBSG-HNNXBMFYSA-N 1 0 328.334 2.687 50 0 EFAARO CSCc1noc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)n1 ZINC000091452708 218008958 /nfs/dbraw/zinc/00/89/58/218008958.db2.gz JBCQJBFVRBEBSU-LSDHHAIUSA-N 1 0 336.505 2.629 50 0 EFAARO COCC[C@@]1(CO)CCC[N@H+](Cc2cc3c(cc2OC)CCC3)C1 ZINC000091585629 218024255 /nfs/dbraw/zinc/02/42/55/218024255.db2.gz YIDXYGKWFODPSM-FQEVSTJZSA-N 1 0 333.472 2.795 50 0 EFAARO C[C@H](CCc1ncnn1-c1ccc2ccccc2c1)[NH+]1CCN(C)CC1 ZINC000095374471 218307783 /nfs/dbraw/zinc/30/77/83/218307783.db2.gz ZNDJUYFAXKVZRL-QGZVFWFLSA-N 1 0 349.482 2.989 50 0 EFAARO COc1cc(OC)cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000013011100 207273939 /nfs/dbraw/zinc/27/39/39/207273939.db2.gz ITQBIOKNEWOPNX-MRXNPFEDSA-N 1 0 334.441 2.798 50 0 EFAARO COCCn1cncc1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000244724735 285194712 /nfs/dbraw/zinc/19/47/12/285194712.db2.gz MZTMZBCJGFVJDZ-SFHVURJKSA-N 1 0 328.460 2.912 50 0 EFAARO OCC[C@@H]1CN(C2CCSCC2)CC[N@@H+]1CC1CCCCC1 ZINC000020254713 285264394 /nfs/dbraw/zinc/26/43/94/285264394.db2.gz YHSZPSVELSCOTR-GOSISDBHSA-N 1 0 326.550 2.831 50 0 EFAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2cc(F)ccc2o1 ZINC000117791497 257950058 /nfs/dbraw/zinc/95/00/58/257950058.db2.gz JMQJTJIWMWMDDM-HNNXBMFYSA-N 1 0 334.391 2.755 50 0 EFAARO C[N@@H+]1CCCN(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000426628743 257960783 /nfs/dbraw/zinc/96/07/83/257960783.db2.gz IXNMGKBVBKMBEM-SFHVURJKSA-N 1 0 342.418 2.657 50 0 EFAARO CC(C)C(=O)Nc1cc(NC(=O)NCC2CC[NH2+]CC2)ccc1F ZINC000426624730 257960994 /nfs/dbraw/zinc/96/09/94/257960994.db2.gz FXXDQKPLVCQTCM-UHFFFAOYSA-N 1 0 336.411 2.541 50 0 EFAARO C[NH+](C)CCCNC(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 ZINC000426550687 257963727 /nfs/dbraw/zinc/96/37/27/257963727.db2.gz VJGPKGCDDYVTOR-OAHLLOKOSA-N 1 0 337.439 2.578 50 0 EFAARO [NH3+]CCc1nnc(SCc2cncs2)n1-c1ccc(F)cc1 ZINC000426534505 257964516 /nfs/dbraw/zinc/96/45/16/257964516.db2.gz SPVJXWDXUCSFOA-UHFFFAOYSA-N 1 0 335.433 2.656 50 0 EFAARO CCOc1ccc(-c2cn(O)c3c([n+]2=O)CCCC3)c(OCC)c1 ZINC000334157382 258004930 /nfs/dbraw/zinc/00/49/30/258004930.db2.gz CRRYKSYFAUYMTQ-UHFFFAOYSA-N 1 0 331.392 2.983 50 0 EFAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(Cc2ccc(F)cc2)no1 ZINC000299771141 258083349 /nfs/dbraw/zinc/08/33/49/258083349.db2.gz SYHYJVACBVNDQU-QGZVFWFLSA-N 1 0 345.418 2.961 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CC[C@]3(OC)CC[C@@H](O)C[C@H]13)CCC2 ZINC000299777971 258087633 /nfs/dbraw/zinc/08/76/33/258087633.db2.gz LXTNHVQGOMSFRN-YZGWKJHDSA-N 1 0 331.456 2.688 50 0 EFAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000299778408 258088577 /nfs/dbraw/zinc/08/85/77/258088577.db2.gz OWYBJKWVSGFZPD-HNNXBMFYSA-N 1 0 339.443 2.963 50 0 EFAARO C[NH+]1CCC(CNC(=O)CCCc2cn[nH]c2)(c2ccccc2)CC1 ZINC000299779964 258089037 /nfs/dbraw/zinc/08/90/37/258089037.db2.gz HSEQRZDBKVHKHJ-UHFFFAOYSA-N 1 0 340.471 2.512 50 0 EFAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)Nc1ccc(-c2ccco2)cc1 ZINC000299784467 258092057 /nfs/dbraw/zinc/09/20/57/258092057.db2.gz OOPXEVDIMZWTBV-KRWDZBQOSA-N 1 0 343.427 2.915 50 0 EFAARO Cc1ccc([C@H](CNC(=O)c2scc3c2OCCO3)[NH+](C)C)cc1 ZINC000299791613 258097318 /nfs/dbraw/zinc/09/73/18/258097318.db2.gz FSRSXRUWUQMLIH-AWEZNQCLSA-N 1 0 346.452 2.860 50 0 EFAARO CO[C@]12CC[N@H+](Cc3ccc4cc(F)ccc4n3)[C@H]1C[C@@H](O)CC2 ZINC000299796532 258101119 /nfs/dbraw/zinc/10/11/19/258101119.db2.gz QYUOPHKIURNNEV-YTQUADARSA-N 1 0 330.403 2.878 50 0 EFAARO Cc1cc(F)ccc1NC(=O)N1CCC2(CC1)C[N@@H+](C)CCCN2C ZINC000299797545 258102012 /nfs/dbraw/zinc/10/20/12/258102012.db2.gz OKAACAKRPJPOEI-UHFFFAOYSA-N 1 0 348.466 2.768 50 0 EFAARO Cc1cccc2oc(CNC(=O)CSCC[NH+]3CCCC3)nc21 ZINC000299798650 258102248 /nfs/dbraw/zinc/10/22/48/258102248.db2.gz UBTAKOXTIGTFEP-UHFFFAOYSA-N 1 0 333.457 2.581 50 0 EFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3ncoc3C(C)C)cc2C1 ZINC000299800357 258103854 /nfs/dbraw/zinc/10/38/54/258103854.db2.gz VYSYTPOYLIOLST-UHFFFAOYSA-N 1 0 345.447 2.540 50 0 EFAARO CN1CC2(CC1=O)CC[NH+](C1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000072477804 258065050 /nfs/dbraw/zinc/06/50/50/258065050.db2.gz OIENDMQMLGCIBE-UHFFFAOYSA-N 1 0 345.462 2.739 50 0 EFAARO O=C(COc1ccccc1C[NH+]1CCSCC1)N1CCCCC1 ZINC000215954744 258072423 /nfs/dbraw/zinc/07/24/23/258072423.db2.gz VITJPZBUFJWLHL-UHFFFAOYSA-N 1 0 334.485 2.627 50 0 EFAARO CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CC[NH2+]CC2 ZINC000299757550 258075691 /nfs/dbraw/zinc/07/56/91/258075691.db2.gz JMWOXKYBSGOBGC-SJORKVTESA-N 1 0 342.464 2.869 50 0 EFAARO CC[C@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)n1cccn1 ZINC000299759383 258076595 /nfs/dbraw/zinc/07/65/95/258076595.db2.gz GXMJABWKCIVNDX-GOSISDBHSA-N 1 0 340.471 2.614 50 0 EFAARO CC1=CC[C@@H]2C[N@H+](Cc3cc(=O)n4nc(C5CC5)sc4n3)C[C@@H]2C1 ZINC000299760622 258078088 /nfs/dbraw/zinc/07/80/88/258078088.db2.gz IONNXXCECOPABD-KGLIPLIRSA-N 1 0 342.468 2.817 50 0 EFAARO Cc1cnn(CCC(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000299761478 258078606 /nfs/dbraw/zinc/07/86/06/258078606.db2.gz MCLAPTQRHYCGDY-SFHVURJKSA-N 1 0 344.434 2.674 50 0 EFAARO Cn1ccnc1[C@@H](NC(=O)CC[NH+]1CCCCCC1)c1ccccc1 ZINC000299764818 258080206 /nfs/dbraw/zinc/08/02/06/258080206.db2.gz MJGSTDZHRHFBEA-IBGZPJMESA-N 1 0 340.471 2.892 50 0 EFAARO COCC[NH2+]CC[C@@H]1CCC(=O)N1CCC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000299765513 258080993 /nfs/dbraw/zinc/08/09/93/258080993.db2.gz ACDJGVLXBMDCCO-BZSNNMDCSA-N 1 0 334.504 2.986 50 0 EFAARO Cc1cccc(N2CCC(NC(=O)[C@H]([NH3+])Cc3ccccc3)CC2)c1 ZINC000299766694 258081774 /nfs/dbraw/zinc/08/17/74/258081774.db2.gz KOMPEUSHWVXJCF-HXUWFJFHSA-N 1 0 337.467 2.650 50 0 EFAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C3CCC3)C2)CC1 ZINC000055244434 132194526 /nfs/dbraw/zinc/19/45/26/132194526.db2.gz SRIRDIQWSHNNOX-LJQANCHMSA-N 1 0 341.499 2.908 50 0 EFAARO CN(C[C@H]1CCCO1)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000364104793 149069733 /nfs/dbraw/zinc/06/97/33/149069733.db2.gz SMQUCMPIMAIQEY-OAHLLOKOSA-N 1 0 337.489 2.533 50 0 EFAARO COc1ccc2c(c1)CCC[C@H]2n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072411447 286395234 /nfs/dbraw/zinc/39/52/34/286395234.db2.gz DTSJWMSOFDTATM-LJQANCHMSA-N 1 0 349.438 2.784 50 0 EFAARO CC[C@@H]([NH2+]C1CSCCSC1)c1ccc(S(C)(=O)=O)cc1 ZINC000067983470 286902133 /nfs/dbraw/zinc/90/21/33/286902133.db2.gz JFYAGKUERSYUFP-OAHLLOKOSA-N 1 0 345.555 2.979 50 0 EFAARO Cc1cc2c(N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)nccn2n1 ZINC000280466537 273331245 /nfs/dbraw/zinc/33/12/45/273331245.db2.gz MRFVYDFXADSOOD-HDICACEKSA-N 1 0 333.439 2.606 50 0 EFAARO CCn1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)c(C(F)(F)F)n1 ZINC000281030798 273393415 /nfs/dbraw/zinc/39/34/15/273393415.db2.gz NAVAKUJPXMWJLP-UHFFFAOYSA-N 1 0 344.381 2.526 50 0 EFAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1cc2ccc(Cl)cc2n1C ZINC000299764278 274081342 /nfs/dbraw/zinc/08/13/42/274081342.db2.gz STPNAZVCESSSFN-YOEHRIQHSA-N 1 0 349.862 2.669 50 0 EFAARO COc1ccc2c(c1)OC[C@@H](C[NH2+]C1CSCCSC1)C2 ZINC000091306044 274129262 /nfs/dbraw/zinc/12/92/62/274129262.db2.gz RPSJFDZNFHNXGT-GFCCVEGCSA-N 1 0 325.499 2.685 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(c2nc(C)nc3ncccc32)CC1 ZINC000095365278 274828437 /nfs/dbraw/zinc/82/84/37/274828437.db2.gz XTQHBFBFTWPAJW-UHFFFAOYSA-N 1 0 334.427 2.753 50 0 EFAARO O=C1C[C@@H]([N@H+]2C[C@@H]3CC=CC[C@@H]3C2)C(=O)N1c1ccc(Cl)cc1 ZINC000012374530 275019746 /nfs/dbraw/zinc/01/97/46/275019746.db2.gz YLJJCNNSVSAMNO-DVOMOZLQSA-N 1 0 330.815 2.870 50 0 EFAARO O=C1OCCN1C1CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095519398 275026661 /nfs/dbraw/zinc/02/66/61/275026661.db2.gz XOUWXUYTUCITGV-OAHLLOKOSA-N 1 0 330.428 2.544 50 0 EFAARO CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H]([NH2+]C2CCCC2)C1 ZINC000014955304 276151377 /nfs/dbraw/zinc/15/13/77/276151377.db2.gz YTVBZQJZJATHSI-INIZCTEOSA-N 1 0 330.476 2.859 50 0 EFAARO CCOCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095383343 276313891 /nfs/dbraw/zinc/31/38/91/276313891.db2.gz VBFLIWGLHRMSJH-FUHWJXTLSA-N 1 0 334.435 2.675 50 0 EFAARO CCN1CC2(CCC1=O)CC[NH+](Cc1cnc(C(C)C)nc1)CC2 ZINC000091646095 276358271 /nfs/dbraw/zinc/35/82/71/276358271.db2.gz SQGWZZFXVZIPMS-UHFFFAOYSA-N 1 0 330.476 2.825 50 0 EFAARO COCCC(=O)N[C@H]1C[N@@H+](C2CCCC2)C[C@@H]1c1ccc(OC)cc1 ZINC000091435112 277202202 /nfs/dbraw/zinc/20/22/02/277202202.db2.gz OAPLNVIVLPMURV-MOPGFXCFSA-N 1 0 346.471 2.558 50 0 EFAARO COc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)C2=O)cc1 ZINC000248118041 277908454 /nfs/dbraw/zinc/90/84/54/277908454.db2.gz CJFDXPGKFHZRJB-KFZJALRRSA-N 1 0 330.428 2.741 50 0 EFAARO COc1ccc2c(c1)c([C@H]1NC(=[NH2+])Nc3nc4ccccc4n31)cn2C ZINC000004623182 277994117 /nfs/dbraw/zinc/99/41/17/277994117.db2.gz FIZWMCLQSFCKDM-KRWDZBQOSA-N 1 0 346.394 2.633 50 0 EFAARO C[C@H](C(=O)NCc1nc2cc(F)ccc2[nH]1)[N@H+](C)C1CCCCC1 ZINC000299763356 279226849 /nfs/dbraw/zinc/22/68/49/279226849.db2.gz ZQKHCOIDDAXULZ-GFCCVEGCSA-N 1 0 332.423 2.971 50 0 EFAARO O=C(CCCc1cccs1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077355338 279749160 /nfs/dbraw/zinc/74/91/60/279749160.db2.gz OZFRSEBKVHKKMY-SFHVURJKSA-N 1 0 336.501 2.520 50 0 EFAARO Cc1cc(C(F)(F)F)nc(CNC(=O)CCC[NH+]2CCCCC2)n1 ZINC000095365947 280377475 /nfs/dbraw/zinc/37/74/75/280377475.db2.gz VRTDXCAMAHVTGX-UHFFFAOYSA-N 1 0 344.381 2.686 50 0 EFAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000239425740 280412089 /nfs/dbraw/zinc/41/20/89/280412089.db2.gz VECLMGKGWXLRCE-PXRSPZQOSA-N 1 0 327.509 2.934 50 0 EFAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000091893706 289218795 /nfs/dbraw/zinc/21/87/95/289218795.db2.gz MJGNYTCPEZRDGR-MSOLQXFVSA-N 1 0 344.499 2.517 50 0 EFAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)Cn2ccnc2)cc1 ZINC000077505529 289224689 /nfs/dbraw/zinc/22/46/89/289224689.db2.gz ZMKBSGNUCDOPFA-SFHVURJKSA-N 1 0 326.444 2.699 50 0 EFAARO CN(C)[C@H](CN1CC2(CC[NH2+]CC2)CCC1=O)c1ccccc1Cl ZINC000091871293 289350113 /nfs/dbraw/zinc/35/01/13/289350113.db2.gz XCZOGAAKUZKAJH-QGZVFWFLSA-N 1 0 349.906 2.935 50 0 EFAARO Cc1ccccc1[C@@H](C(=O)N1CCC2(CC[N@H+](C)C2)CC1)N(C)C ZINC000095531693 302113572 /nfs/dbraw/zinc/11/35/72/302113572.db2.gz WVNIQKSNAHTHLB-SFHVURJKSA-N 1 0 329.488 2.542 50 0 EFAARO Cc1ccccc1[C@@H](CNC(=O)c1cc(CC(C)C)nn1C)[NH+](C)C ZINC000091574958 302129066 /nfs/dbraw/zinc/12/90/66/302129066.db2.gz RYCOLKOKIDCPSG-LJQANCHMSA-N 1 0 342.487 2.960 50 0 EFAARO Cc1ncc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000195239825 323523041 /nfs/dbraw/zinc/52/30/41/323523041.db2.gz CYEFGZSTPVCZAY-UHFFFAOYSA-N 1 0 329.469 2.888 50 0 EFAARO COc1ccccc1Nc1nc(N)nc(CN(C)C2CCCCC2)n1 ZINC000001874882 462587271 /nfs/dbraw/zinc/58/72/71/462587271.db2.gz OEKWJJXJTHOKSF-UHFFFAOYSA-N 1 0 342.447 2.971 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCn1ccc2c1cccc2OC ZINC000095476559 473211653 /nfs/dbraw/zinc/21/16/53/473211653.db2.gz VXQMEGKDPOXADF-HNNXBMFYSA-N 1 0 329.444 2.641 50 0 EFAARO C[NH+]1CCC(Cc2nc(-c3cnccn3)n(Cc3ccccc3)n2)CC1 ZINC000095498651 473213187 /nfs/dbraw/zinc/21/31/87/473213187.db2.gz ROISDUVFAFIZDP-UHFFFAOYSA-N 1 0 348.454 2.668 50 0 EFAARO CC[N@@H+]1C[C@H](NC(=O)c2c(C)c(C)nc3ccc(C)cc32)[C@@H](OC)C1 ZINC000095497602 473213382 /nfs/dbraw/zinc/21/33/82/473213382.db2.gz MYAPWKRRKFPDND-ROUUACIJSA-N 1 0 341.455 2.609 50 0 EFAARO Cc1cccc(-c2nc(-c3cccnc3)nn2C2CC[NH+](C)CC2)n1 ZINC000095501627 473214763 /nfs/dbraw/zinc/21/47/63/473214763.db2.gz KAWQOEHEDAZECX-UHFFFAOYSA-N 1 0 334.427 2.977 50 0 EFAARO Cc1cc(C)nc(N2CCC([NH2+]CCCNc3cccnc3)CC2)n1 ZINC000095502343 473215017 /nfs/dbraw/zinc/21/50/17/473215017.db2.gz KZCLUOBLAQCTNH-UHFFFAOYSA-N 1 0 340.475 2.549 50 0 EFAARO Cc1cc(C)nc(N2CCC([NH2+]C[C@@H](O)c3cccc(F)c3)CC2)n1 ZINC000095506827 473215398 /nfs/dbraw/zinc/21/53/98/473215398.db2.gz WOBALWDXDRPRSG-GOSISDBHSA-N 1 0 344.434 2.525 50 0 EFAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc2oc(C)cc2c1 ZINC000095505149 473216157 /nfs/dbraw/zinc/21/61/57/473216157.db2.gz BLXAKYHRVULHEX-RDJZCZTQSA-N 1 0 331.416 2.970 50 0 EFAARO COc1ccc(Cl)cc1NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000095508032 473217075 /nfs/dbraw/zinc/21/70/75/473217075.db2.gz NPWMEINKPDCBAW-UHFFFAOYSA-N 1 0 341.839 2.581 50 0 EFAARO C[C@H]1Cc2cc(NC(=O)N3CCN(c4cc[nH+]cc4)CC3)ccc2O1 ZINC000095513142 473217974 /nfs/dbraw/zinc/21/79/74/473217974.db2.gz SIJQVZUDAXMLAI-AWEZNQCLSA-N 1 0 338.411 2.759 50 0 EFAARO CC[C@@H](NC(=O)CC1CC[NH+](C(C)C)CC1)c1cn2cccnc2n1 ZINC000095517511 473218338 /nfs/dbraw/zinc/21/83/38/473218338.db2.gz OICRHEKXCLLBPD-MRXNPFEDSA-N 1 0 343.475 2.807 50 0 EFAARO COc1ccc([C@@H]2CN(C(=O)c3ccoc3C)C[C@H]2[NH+](C)C)cc1 ZINC000095519532 473218990 /nfs/dbraw/zinc/21/89/90/473218990.db2.gz ZKAONISZESNOEU-ZWKOTPCHSA-N 1 0 328.412 2.766 50 0 EFAARO O=C(Nc1ccc2c[nH]nc2c1)N1CCC([NH+]2CCSCC2)CC1 ZINC000095522926 473219587 /nfs/dbraw/zinc/21/95/87/473219587.db2.gz IKHGBPQKIFATPJ-UHFFFAOYSA-N 1 0 345.472 2.608 50 0 EFAARO CC(C)N(C)C(=O)CN1CCC2(C[C@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095523443 473219810 /nfs/dbraw/zinc/21/98/10/473219810.db2.gz VQFIQXGTPWGBNU-IBGZPJMESA-N 1 0 343.515 2.807 50 0 EFAARO CCCc1nc(C)cc(N2CCC([NH2+]Cc3ccccn3)CC2)n1 ZINC000095525023 473219903 /nfs/dbraw/zinc/21/99/03/473219903.db2.gz LZGZCEWKBLFWGU-UHFFFAOYSA-N 1 0 325.460 2.891 50 0 EFAARO CCCc1cc(N2CCC([NH2+]CC3(O)CCCCC3)CC2)nc(C)n1 ZINC000095523402 473220385 /nfs/dbraw/zinc/22/03/85/473220385.db2.gz HEHWHMNEASSZNP-UHFFFAOYSA-N 1 0 346.519 2.991 50 0 EFAARO Cc1cc(N2CCC(c3nccn3Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000095525794 473220498 /nfs/dbraw/zinc/22/04/98/473220498.db2.gz VUJLCZGGSDAYDN-UHFFFAOYSA-N 1 0 348.454 2.996 50 0 EFAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCCc2nc3ccccc3n2C)C1 ZINC000095527111 473220820 /nfs/dbraw/zinc/22/08/20/473220820.db2.gz ZDYHLETWELXGKS-MRXNPFEDSA-N 1 0 342.487 2.743 50 0 EFAARO C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082096395 473287556 /nfs/dbraw/zinc/28/75/56/473287556.db2.gz QMBKTEJMHBGRCV-AWEZNQCLSA-N 1 0 336.501 2.882 50 0 EFAARO O=C(CCn1cc(Cl)cn1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000082096314 473287957 /nfs/dbraw/zinc/28/79/57/473287957.db2.gz FEBBHQLMXQZNIZ-UHFFFAOYSA-N 1 0 338.883 2.794 50 0 EFAARO O=C1CC[C@]2(CCC[N@@H+](C3CCCC3)C2)CN1CCc1c[nH]cn1 ZINC000082106115 473288782 /nfs/dbraw/zinc/28/87/82/473288782.db2.gz KARKCHUJDQRTLA-IBGZPJMESA-N 1 0 330.476 2.599 50 0 EFAARO Cc1ccc(OCc2occc2C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000082087755 473285374 /nfs/dbraw/zinc/28/53/74/473285374.db2.gz XHRIAFCPLWXLMV-KBPBESRZSA-N 1 0 332.375 2.597 50 0 EFAARO [NH3+][C@@H]1CCN(Cc2cccc(OCc3ccc(Cl)cc3)c2)C[C@H]1O ZINC000082114995 473291070 /nfs/dbraw/zinc/29/10/70/473291070.db2.gz KLIOBEGOPHNQSI-RTBURBONSA-N 1 0 346.858 2.813 50 0 EFAARO CO[C@@H](C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1)c1ccccc1 ZINC000082108752 473291226 /nfs/dbraw/zinc/29/12/26/473291226.db2.gz DCAXKIVGNDKSPK-LJQANCHMSA-N 1 0 339.439 2.816 50 0 EFAARO C[C@H](CCC(=O)N1CCN(c2ccccc2)C(=O)C1)[NH+]1CCCCC1 ZINC000082127967 473293711 /nfs/dbraw/zinc/29/37/11/473293711.db2.gz ZQZLWTAOSHFQQI-QGZVFWFLSA-N 1 0 343.471 2.516 50 0 EFAARO CCCn1cc(C(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)c(C)n1 ZINC000082135171 473294030 /nfs/dbraw/zinc/29/40/30/473294030.db2.gz OGICVHZWQGMASK-UHFFFAOYSA-N 1 0 341.459 2.657 50 0 EFAARO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 ZINC000082139211 473295364 /nfs/dbraw/zinc/29/53/64/473295364.db2.gz SGVZCBGJKWRRLG-QGZVFWFLSA-N 1 0 334.423 2.777 50 0 EFAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 ZINC000082139212 473296536 /nfs/dbraw/zinc/29/65/36/473296536.db2.gz SGVZCBGJKWRRLG-KRWDZBQOSA-N 1 0 334.423 2.777 50 0 EFAARO CCNc1nc(NCCNC(=O)Nc2cccc(C)c2)cc(C)[nH+]1 ZINC000082230443 473299168 /nfs/dbraw/zinc/29/91/68/473299168.db2.gz UYNJRPFXVBFTKT-UHFFFAOYSA-N 1 0 328.420 2.759 50 0 EFAARO CCCc1cncnc1N1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000096130339 473309138 /nfs/dbraw/zinc/30/91/38/473309138.db2.gz WUSPSTDJQJFWQJ-UHFFFAOYSA-N 1 0 326.444 2.893 50 0 EFAARO Cc1cc(NC(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)ccc1F ZINC000096130280 473310419 /nfs/dbraw/zinc/31/04/19/473310419.db2.gz HLVLYWDSPPFTJQ-INIZCTEOSA-N 1 0 335.423 2.587 50 0 EFAARO C[NH+](C)CCCC(=O)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1 ZINC000096150454 473314338 /nfs/dbraw/zinc/31/43/38/473314338.db2.gz DLBOIBYDODAYBW-UHFFFAOYSA-N 1 0 348.397 2.581 50 0 EFAARO COCCN(C(=O)Nc1ccc(F)c(F)c1F)C1CC[NH+](C)CC1 ZINC000096150715 473315164 /nfs/dbraw/zinc/31/51/64/473315164.db2.gz BHEKRILPZNELCI-UHFFFAOYSA-N 1 0 345.365 2.678 50 0 EFAARO O=C(NCCC[N@H+]1CCCC[C@@H]1CO)Nc1ccc(F)cc1Cl ZINC000096160514 473319269 /nfs/dbraw/zinc/31/92/69/473319269.db2.gz HKBIVNKBFZIRGW-CYBMUJFWSA-N 1 0 343.830 2.838 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C(C)C)c(=O)c2ccccc12 ZINC000096223070 473354939 /nfs/dbraw/zinc/35/49/39/473354939.db2.gz CZERHGKROJLYQM-OAHLLOKOSA-N 1 0 341.455 2.797 50 0 EFAARO CC(C)[NH+]1CCN(c2ccc(I)cc2)CC1 ZINC000096295473 473372415 /nfs/dbraw/zinc/37/24/15/473372415.db2.gz KXPKVFZYXVGSJT-UHFFFAOYSA-N 1 0 330.213 2.822 50 0 EFAARO C[NH+](C)CCn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@@H]21 ZINC000096318995 473374861 /nfs/dbraw/zinc/37/48/61/473374861.db2.gz IXGJTGSPFBCMPT-FZMZJTMJSA-N 1 0 348.493 2.718 50 0 EFAARO C[NH+](C)CCn1c(=O)sc2c1SC[C@H]1COc3ccccc3[C@@H]21 ZINC000096318993 473374979 /nfs/dbraw/zinc/37/49/79/473374979.db2.gz IXGJTGSPFBCMPT-RISCZKNCSA-N 1 0 348.493 2.718 50 0 EFAARO C[NH+](C)CCCn1c2ccccc2n(C[C@@H](O)c2ccccc2)c1=N ZINC000000092849 471322295 /nfs/dbraw/zinc/32/22/95/471322295.db2.gz UVJBTWROYOVWIY-LJQANCHMSA-N 1 0 338.455 2.608 50 0 EFAARO COc1cccc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c1OC ZINC000000188134 471332388 /nfs/dbraw/zinc/33/23/88/471332388.db2.gz BMPGEMONJGBRMN-SFHVURJKSA-N 1 0 329.396 2.956 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1OC ZINC000000212850 471335908 /nfs/dbraw/zinc/33/59/08/471335908.db2.gz ZGLRROFWFAWUDX-QGZVFWFLSA-N 1 0 346.471 2.928 50 0 EFAARO C[NH+]1CCN(c2nc(Nc3ccc(O)cc3)nc3ccccc32)CC1 ZINC000000250305 471340590 /nfs/dbraw/zinc/34/05/90/471340590.db2.gz VTHMRLOUPKJVSL-UHFFFAOYSA-N 1 0 335.411 2.831 50 0 EFAARO CC(C)(C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000284040 471343893 /nfs/dbraw/zinc/34/38/93/471343893.db2.gz ZLMXDCLGURBHRI-UHFFFAOYSA-N 1 0 330.881 2.883 50 0 EFAARO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccco1)c1ccccc1 ZINC000000317242 471346570 /nfs/dbraw/zinc/34/65/70/471346570.db2.gz OWODGFDXSCAERM-IRXDYDNUSA-N 1 0 334.441 2.659 50 0 EFAARO c1ccc(N2CC[NH+](C3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC000000316521 471347242 /nfs/dbraw/zinc/34/72/42/471347242.db2.gz POUBCCSIFKFJPW-UHFFFAOYSA-N 1 0 336.483 2.868 50 0 EFAARO CC[C@]1(C)C[C@@H]([C@@H](O)C[NH2+]Cc2ccc(OC)c(OC)c2)CCO1 ZINC000000434064 471360286 /nfs/dbraw/zinc/36/02/86/471360286.db2.gz RMOMIOWOQMAUHS-TXPKVOOTSA-N 1 0 337.460 2.750 50 0 biogenic EFAARO [NH2+]=C(Nc1ccc(Cl)cc1)Nc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000000449043 471361118 /nfs/dbraw/zinc/36/11/18/471361118.db2.gz WWOYQSWWTOCBFH-UHFFFAOYSA-N 1 0 331.685 2.901 50 0 EFAARO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000000757675 471375036 /nfs/dbraw/zinc/37/50/36/471375036.db2.gz DLSAKBCKYGKSDB-IBGZPJMESA-N 1 0 344.499 2.969 50 0 EFAARO CC[NH+](CC)CCOC(=O)COc1ccc(Br)cc1 ZINC000001901738 471399276 /nfs/dbraw/zinc/39/92/76/471399276.db2.gz RPLWTHIEEDQPCO-UHFFFAOYSA-N 1 0 330.222 2.713 50 0 EFAARO [NH3+]CCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC000002149818 471402607 /nfs/dbraw/zinc/40/26/07/471402607.db2.gz WPSFHFSJASWWAY-UHFFFAOYSA-N 1 0 326.849 2.901 50 0 in-vitro EFAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)[NH+]1CCCCC1 ZINC000002269008 471403866 /nfs/dbraw/zinc/40/38/66/471403866.db2.gz QKNBVLHZPYBSSZ-LBPRGKRZSA-N 1 0 329.400 2.767 50 0 EFAARO C[C@@H]1CCCc2sc3nc(NCC[NH+](C)C)n4ncnc4c3c21 ZINC000002217096 471404432 /nfs/dbraw/zinc/40/44/32/471404432.db2.gz MIJORAAKPPVWME-SNVBAGLBSA-N 1 0 330.461 2.752 50 0 EFAARO COc1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)c(OC)c1OC ZINC000002470880 471408753 /nfs/dbraw/zinc/40/87/53/471408753.db2.gz DYTYXLRBZVKVEB-UHFFFAOYSA-N 1 0 345.395 2.773 50 0 biogenic EFAARO CCCCn1cc(NC(=O)c2ccccc2Br)[o+]n1 ZINC000002497601 471410312 /nfs/dbraw/zinc/41/03/12/471410312.db2.gz LRPTWDWMPKCMIA-UHFFFAOYSA-O 1 0 325.186 2.777 50 0 EFAARO COC(=O)c1ccc(OCCOCC[NH2+]Cc2ccccc2)cc1 ZINC000002824145 471423453 /nfs/dbraw/zinc/42/34/53/471423453.db2.gz OKJHVYDBHMALJL-UHFFFAOYSA-N 1 0 329.396 2.658 50 0 EFAARO C[NH+](C)CCCNC(=O)C[C@H](c1ccccc1)c1ccccc1O ZINC000002885065 471426796 /nfs/dbraw/zinc/42/67/96/471426796.db2.gz GDRYSJVBGVKDKN-GOSISDBHSA-N 1 0 326.440 2.982 50 0 EFAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3sccc3C)C2=O)cc1 ZINC000003856241 471455749 /nfs/dbraw/zinc/45/57/49/471455749.db2.gz XBXGMRBCFMGAAQ-OAHLLOKOSA-N 1 0 344.436 2.529 50 0 EFAARO O[C@@H](C[NH+]1CCC(c2cc(-c3ccco3)n[nH]2)CC1)C(F)(F)F ZINC000004025220 471459111 /nfs/dbraw/zinc/45/91/11/471459111.db2.gz SCHOMSDDNHJGIO-AWEZNQCLSA-N 1 0 329.322 2.772 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CC3CCCCC3)C2=O)cc1 ZINC000004648936 471470895 /nfs/dbraw/zinc/47/08/95/471470895.db2.gz UBMIZDUKPSXLTR-QGZVFWFLSA-N 1 0 330.428 2.887 50 0 EFAARO Cc1ccc(NC(=O)C[C@H](C)CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000004691114 471472268 /nfs/dbraw/zinc/47/22/68/471472268.db2.gz NCJUFUHNTIKMKY-MRXNPFEDSA-N 1 0 331.460 2.562 50 0 EFAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1OC ZINC000004725494 471472727 /nfs/dbraw/zinc/47/27/27/471472727.db2.gz RXDBBLASOSFQSE-UHFFFAOYSA-N 1 0 346.471 2.928 50 0 EFAARO C[NH2+]Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 ZINC000005140945 471488370 /nfs/dbraw/zinc/48/83/70/471488370.db2.gz XPMACCNVZKHGPT-UHFFFAOYSA-N 1 0 337.814 2.991 50 0 EFAARO CCOc1ccc2[nH]c3c(ncnc3N3CC[NH+](CC)CC3)c2c1 ZINC000005164869 471489576 /nfs/dbraw/zinc/48/95/76/471489576.db2.gz DOBDHHAQNMZSFH-UHFFFAOYSA-N 1 0 325.416 2.652 50 0 EFAARO Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)oc2c1C(=O)CC(C)(C)C2 ZINC000005266829 471496641 /nfs/dbraw/zinc/49/66/41/471496641.db2.gz MCLJDAACHKGTSS-UHFFFAOYSA-N 1 0 332.444 2.909 50 0 EFAARO Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)Cc2ccccn2)cc1 ZINC000006131544 471533170 /nfs/dbraw/zinc/53/31/70/471533170.db2.gz DEBAJZKNEOGKBP-UHFFFAOYSA-N 1 0 347.484 2.533 50 0 EFAARO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000006454935 471546301 /nfs/dbraw/zinc/54/63/01/471546301.db2.gz OXWXXMDTFPNWGG-KSSFIOAISA-N 1 0 328.412 2.736 50 0 EFAARO Cc1ccc(-n2ncc3c2ncnc3N2CC[NH+](C)CC2)cc1Cl ZINC000008583093 471695390 /nfs/dbraw/zinc/69/53/90/471695390.db2.gz PKPQFHLIFQHDQJ-UHFFFAOYSA-N 1 0 342.834 2.529 50 0 EFAARO COc1ccc2[nH]c(C)c(C[N@H+](C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008700905 471698117 /nfs/dbraw/zinc/69/81/17/471698117.db2.gz HXCZNAYSIOTCQJ-UHFFFAOYSA-N 1 0 329.444 2.783 50 0 EFAARO Cc1c(C)n(-c2nccs2)c2ncnc(NCCC[NH+](C)C)c12 ZINC000009481786 471716491 /nfs/dbraw/zinc/71/64/91/471716491.db2.gz KAAGNVWNEULIAN-UHFFFAOYSA-N 1 0 330.461 2.857 50 0 EFAARO CC1CC[NH+](CCCNS(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000010541033 471737818 /nfs/dbraw/zinc/73/78/18/471737818.db2.gz QSMYTYYDFSZMBR-UHFFFAOYSA-N 1 0 344.908 2.881 50 0 EFAARO Cc1cccc(CS(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000010544105 471737931 /nfs/dbraw/zinc/73/79/31/471737931.db2.gz MQDBBNVZCOLONI-IRXDYDNUSA-N 1 0 338.517 2.782 50 0 EFAARO Cc1ccccc1C(=O)NCCNc1ccc(Nc2cc[nH+]cc2)nn1 ZINC000011697764 471757615 /nfs/dbraw/zinc/75/76/15/471757615.db2.gz UYALAEOWCZNOCW-UHFFFAOYSA-N 1 0 348.410 2.766 50 0 EFAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1cccs1 ZINC000011697802 471758453 /nfs/dbraw/zinc/75/84/53/471758453.db2.gz YWGRNADYLUOOQV-UHFFFAOYSA-N 1 0 340.412 2.519 50 0 EFAARO Cn1ccnc1C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000011819120 471759601 /nfs/dbraw/zinc/75/96/01/471759601.db2.gz AEJWEMVNKHPZTJ-HXUWFJFHSA-N 1 0 344.503 2.815 50 0 EFAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](CC[C@H](C)O)CC1 ZINC000011817020 471760216 /nfs/dbraw/zinc/76/02/16/471760216.db2.gz CORGUDWUKDRQDV-HNNXBMFYSA-N 1 0 337.435 2.784 50 0 EFAARO O=C(C[NH+]1CCCCC1)N1CCc2onc(-c3ccccc3F)c2C1 ZINC000011947799 471762506 /nfs/dbraw/zinc/76/25/06/471762506.db2.gz JINKYUCXMVDQOZ-UHFFFAOYSA-N 1 0 343.402 2.851 50 0 EFAARO Cc1ccc(C)c(OCc2cc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)no2)c1 ZINC000012000116 471762572 /nfs/dbraw/zinc/76/25/72/471762572.db2.gz KRHTYEPLNCIZGQ-HNNXBMFYSA-N 1 0 343.427 2.647 50 0 EFAARO Cc1cccc(C[NH2+]CCn2cc(C(=O)Nc3ccccc3)nn2)c1 ZINC000012028299 471762704 /nfs/dbraw/zinc/76/27/04/471762704.db2.gz VGVJFVUSDRNLAW-UHFFFAOYSA-N 1 0 335.411 2.629 50 0 EFAARO CC(=O)CCC(=O)N(CCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000012091019 471763316 /nfs/dbraw/zinc/76/33/16/471763316.db2.gz FTHZHHPGXKKEBX-IBGZPJMESA-N 1 0 330.472 2.769 50 0 EFAARO Cc1c(C(=O)N(C)CC(C)C)sc2ncnc(NCC[NH+](C)C)c12 ZINC000012128682 471765060 /nfs/dbraw/zinc/76/50/60/471765060.db2.gz KENOXJTYCMARGX-UHFFFAOYSA-N 1 0 349.504 2.701 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000012196258 471767508 /nfs/dbraw/zinc/76/75/08/471767508.db2.gz YCHMLHGQKORISG-MRXNPFEDSA-N 1 0 344.386 2.516 50 0 EFAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000012196252 471768060 /nfs/dbraw/zinc/76/80/60/471768060.db2.gz YCHMLHGQKORISG-INIZCTEOSA-N 1 0 344.386 2.516 50 0 EFAARO 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Cc1ccccc1-n1cc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cn1 ZINC000012594177 471783882 /nfs/dbraw/zinc/78/38/82/471783882.db2.gz BGLQEDPAFGZRAV-GOSISDBHSA-N 1 0 348.454 2.729 50 0 EFAARO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c(OC)c1 ZINC000012701817 471790275 /nfs/dbraw/zinc/79/02/75/471790275.db2.gz ACWKVZRRZMJEOA-CQSZACIVSA-N 1 0 333.428 2.778 50 0 EFAARO COCCNC(=O)CCC1CC[NH+]([C@@H](C)COc2ccccc2)CC1 ZINC000012708797 471790557 /nfs/dbraw/zinc/79/05/57/471790557.db2.gz GWGHNSJHTRUGDZ-KRWDZBQOSA-N 1 0 348.487 2.709 50 0 EFAARO COCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012715821 471791839 /nfs/dbraw/zinc/79/18/39/471791839.db2.gz CMSLLNPJULFVEX-LJQANCHMSA-N 1 0 334.435 2.677 50 0 EFAARO Cc1ocnc1C(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012836913 471800259 /nfs/dbraw/zinc/80/02/59/471800259.db2.gz IIQHJUWWWUTVBC-KRWDZBQOSA-N 1 0 327.428 2.810 50 0 EFAARO O=C(c1cccnc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013323637 471826301 /nfs/dbraw/zinc/82/63/01/471826301.db2.gz 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ZRQGJQMEZGDKOS-UHFFFAOYSA-N 1 0 339.867 2.907 50 0 EFAARO O=C1CC[C@H](CC[NH2+]Cc2cccnc2)N1CCc1ccc(F)cc1 ZINC000014889069 471880235 /nfs/dbraw/zinc/88/02/35/471880235.db2.gz UCWYNHUUCATDOQ-LJQANCHMSA-N 1 0 341.430 2.934 50 0 EFAARO COc1ccc(CCN2C[C@H]([NH2+]Cc3ccc(F)cc3)CC2=O)cc1 ZINC000014949588 471882880 /nfs/dbraw/zinc/88/28/80/471882880.db2.gz QGTVIHWKCWBVNB-GOSISDBHSA-N 1 0 342.414 2.768 50 0 EFAARO COc1ccc(C[NH2+][C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 ZINC000014966556 471882992 /nfs/dbraw/zinc/88/29/92/471882992.db2.gz OYYGODPEOPUCHV-SFHVURJKSA-N 1 0 342.414 2.768 50 0 EFAARO CC(C)(C)C[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 ZINC000014954477 471883209 /nfs/dbraw/zinc/88/32/09/471883209.db2.gz KZYGXCFDDNBJJW-CQSZACIVSA-N 1 0 334.464 2.541 50 0 EFAARO COC(=O)[C@H]1CC2(CCN(Cc3ccccc3)CC2)[N@@H+]2CCC[C@@H]12 ZINC000014944196 471883438 /nfs/dbraw/zinc/88/34/38/471883438.db2.gz VEWGPGAAIZSOKU-ROUUACIJSA-N 1 0 328.456 2.679 50 0 EFAARO COC[C@@H]1CCN(C(=O)C2([NH+]3CCCCC3)Cc3ccccc3C2)C1 ZINC000014968366 471884680 /nfs/dbraw/zinc/88/46/80/471884680.db2.gz OATANQXEOREMOU-QGZVFWFLSA-N 1 0 342.483 2.505 50 0 EFAARO O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1cccc(F)c1 ZINC000015067182 471888197 /nfs/dbraw/zinc/88/81/97/471888197.db2.gz HMPQLKMONBFBBV-HXUWFJFHSA-N 1 0 348.462 2.849 50 0 EFAARO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cn(CC3CCCCC3)nn2)C1 ZINC000015070805 471888217 /nfs/dbraw/zinc/88/82/17/471888217.db2.gz UBQHFJQJTXHCBH-KRWDZBQOSA-N 1 0 347.507 2.662 50 0 EFAARO O=C(C[NH+]1CCCCC1)N1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000015073850 471888478 /nfs/dbraw/zinc/88/84/78/471888478.db2.gz URMIETBATKYJNB-UHFFFAOYSA-N 1 0 343.402 2.851 50 0 EFAARO C[NH+]1CCC(N2CCC[C@@H](NC(=O)/C(F)=C/c3ccccc3)C2)CC1 ZINC000015075475 471888520 /nfs/dbraw/zinc/88/85/20/471888520.db2.gz LVGYOBHBGKISPP-SQFNAUOLSA-N 1 0 345.462 2.672 50 0 EFAARO COCCNC(=O)CCC1CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000015075164 471889089 /nfs/dbraw/zinc/88/90/89/471889089.db2.gz ZVMZJOZEOQQHQH-UHFFFAOYSA-N 1 0 346.471 2.644 50 0 EFAARO CCC[NH+]1CCC(NC(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000016580720 471941976 /nfs/dbraw/zinc/94/19/76/471941976.db2.gz MOEQMYAVXQNEPD-UHFFFAOYSA-N 1 0 336.304 2.986 50 0 EFAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)CC1 ZINC000016605651 471944410 /nfs/dbraw/zinc/94/44/10/471944410.db2.gz MPPCLNBHVABINL-OAHLLOKOSA-N 1 0 330.472 2.933 50 0 EFAARO CCCC[N@H+](C)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000016638691 471945897 /nfs/dbraw/zinc/94/58/97/471945897.db2.gz CKSCCMQBCDXSJF-UHFFFAOYSA-N 1 0 326.444 2.898 50 0 EFAARO COc1ccccc1OCC[NH2+]CC(=O)N[C@H](C)c1ccccc1C ZINC000016695500 471947827 /nfs/dbraw/zinc/94/78/27/471947827.db2.gz RHYSFNVEHAXSQU-MRXNPFEDSA-N 1 0 342.439 2.849 50 0 EFAARO O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)NC1CCCCC1 ZINC000017248641 471958327 /nfs/dbraw/zinc/95/83/27/471958327.db2.gz HIBAAGSHLQTOAP-UHFFFAOYSA-O 1 0 342.438 2.977 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@H]([N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000018099168 471969490 /nfs/dbraw/zinc/96/94/90/471969490.db2.gz OUXYCWKAVWSYKK-VBQJREDUSA-N 1 0 330.428 2.695 50 0 EFAARO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000019790836 471984696 /nfs/dbraw/zinc/98/46/96/471984696.db2.gz IACMEBPLMXVSSN-HXUWFJFHSA-N 1 0 340.467 2.865 50 0 EFAARO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000019862684 471986121 /nfs/dbraw/zinc/98/61/21/471986121.db2.gz UODDXFJPSXJTEP-HXUWFJFHSA-N 1 0 340.467 2.865 50 0 EFAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000020363021 471989829 /nfs/dbraw/zinc/98/98/29/471989829.db2.gz BRFWOXRYACLPMO-SFHVURJKSA-N 1 0 329.488 2.692 50 0 EFAARO C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020514587 471990409 /nfs/dbraw/zinc/99/04/09/471990409.db2.gz HVPCHFGWXWDQQT-INIZCTEOSA-N 1 0 333.451 2.596 50 0 EFAARO CC[C@H]1CCCC[N@@H+]1CCCn1c(=O)c2cccnc2[nH]c1=S ZINC000020618233 471992857 /nfs/dbraw/zinc/99/28/57/471992857.db2.gz LFDSZBZPFOTAFO-ZDUSSCGKSA-N 1 0 332.473 2.735 50 0 EFAARO CC(=O)N1CCC([N@@H+]2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 ZINC000022078518 472010244 /nfs/dbraw/zinc/01/02/44/472010244.db2.gz BFRAASKCBXSFQW-UXHICEINSA-N 1 0 333.520 2.726 50 0 EFAARO Cc1ccccc1C(=O)NC[C@@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022575337 472017019 /nfs/dbraw/zinc/01/70/19/472017019.db2.gz ALNKVZLYSHGRQA-SFHVURJKSA-N 1 0 343.496 2.775 50 0 EFAARO Cc1cccc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)n1 ZINC000039363284 472023478 /nfs/dbraw/zinc/02/34/78/472023478.db2.gz WVURIEYFLRZSOD-OAQYLSRUSA-N 1 0 339.483 2.501 50 0 EFAARO COc1cccc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)c1 ZINC000039500609 472024285 /nfs/dbraw/zinc/02/42/85/472024285.db2.gz GGSPZGBUXUZIED-QGZVFWFLSA-N 1 0 346.496 2.826 50 0 EFAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)CN1C(C)C ZINC000039543494 472024822 /nfs/dbraw/zinc/02/48/22/472024822.db2.gz ZMQHQRHDNPYIQU-SJORKVTESA-N 1 0 337.895 2.806 50 0 EFAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)CC1 ZINC000023134243 472027103 /nfs/dbraw/zinc/02/71/03/472027103.db2.gz DNDLNFOLJCPFIF-UHFFFAOYSA-N 1 0 327.403 2.759 50 0 EFAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)C=C(C)C)C2)c1C ZINC000067540756 472046818 /nfs/dbraw/zinc/04/68/18/472046818.db2.gz PNBMHLGVCMMFOQ-KRWDZBQOSA-N 1 0 332.492 2.814 50 0 EFAARO COc1ccc2cc(C[N@@H+]3CCOC[C@@H]3CC(C)C)c(=O)[nH]c2c1 ZINC000067560293 472049693 /nfs/dbraw/zinc/04/96/93/472049693.db2.gz XKGBJJGWVJSJMD-INIZCTEOSA-N 1 0 330.428 2.784 50 0 EFAARO CC(C)C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(Cl)c[nH]c2=O)C1 ZINC000067563216 472050720 /nfs/dbraw/zinc/05/07/20/472050720.db2.gz UXBPGOZILLXBEY-CYBMUJFWSA-N 1 0 339.867 2.516 50 0 EFAARO O=C(CCc1nc2ccccc2[nH]1)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067587539 472053390 /nfs/dbraw/zinc/05/33/90/472053390.db2.gz MSANNKSHLOMVJD-UHFFFAOYSA-N 1 0 340.471 2.878 50 0 EFAARO O=S(=O)(c1cccc2ccccc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067589047 472055083 /nfs/dbraw/zinc/05/50/83/472055083.db2.gz VVKZYVHIWQHICQ-SFHVURJKSA-N 1 0 330.453 2.604 50 0 EFAARO CCNc1nc(NCCNC(=O)Nc2ccccc2F)cc(C)[nH+]1 ZINC000067601875 472056447 /nfs/dbraw/zinc/05/64/47/472056447.db2.gz CWFQDIOWLDXIOH-UHFFFAOYSA-N 1 0 332.383 2.590 50 0 EFAARO Oc1cccc(-c2cn(CC3([NH+]4CCOCC4)CCCCC3)nn2)c1 ZINC000067604856 472057513 /nfs/dbraw/zinc/05/75/13/472057513.db2.gz MVXLITZDHUBOHL-UHFFFAOYSA-N 1 0 342.443 2.686 50 0 EFAARO CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2ccc(F)cc2)n1 ZINC000067613361 472061240 /nfs/dbraw/zinc/06/12/40/472061240.db2.gz PBRXZKSVIMIRGV-UHFFFAOYSA-N 1 0 332.383 2.590 50 0 EFAARO CCNc1nc(NCCNC(=O)c2cc(C)ccc2C)cc(C)[nH+]1 ZINC000067622500 472063184 /nfs/dbraw/zinc/06/31/84/472063184.db2.gz YFQZNWBYEGVOQN-UHFFFAOYSA-N 1 0 327.432 2.676 50 0 EFAARO CC[C@@H]([NH2+]CCc1[nH]nc2c1CCCC2)C(=O)Nc1ccccc1 ZINC000067673829 472068880 /nfs/dbraw/zinc/06/88/80/472068880.db2.gz QSXMONUNMBUVIG-MRXNPFEDSA-N 1 0 326.444 2.838 50 0 EFAARO CCC[C@@H]1CCCN1C(=O)c1cnn2cc(C[NH+](CC)CC)cnc12 ZINC000067675044 472069512 /nfs/dbraw/zinc/06/95/12/472069512.db2.gz ZGMUBTZROSVPKX-MRXNPFEDSA-N 1 0 343.475 2.976 50 0 EFAARO Cc1ccc(C)c(CC(=O)NC[C@H]2CC[N@H+](Cc3ccncc3)C2)c1 ZINC000067690517 472073103 /nfs/dbraw/zinc/07/31/03/472073103.db2.gz ZGLKDQREYJXUTN-LJQANCHMSA-N 1 0 337.467 2.879 50 0 EFAARO Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)C(C)(C)[NH3+])CC2)c1 ZINC000067691543 472073250 /nfs/dbraw/zinc/07/32/50/472073250.db2.gz YBIWXWBKTVSOPC-UHFFFAOYSA-N 1 0 326.444 2.828 50 0 EFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC000067697267 472073289 /nfs/dbraw/zinc/07/32/89/472073289.db2.gz GJWBMCIGBRKOBT-HNNXBMFYSA-N 1 0 326.444 2.927 50 0 EFAARO Cc1cccc(Cn2nc(C3CC[NH2+]CC3)n(-c3ccccc3)c2=O)c1 ZINC000067690982 472073327 /nfs/dbraw/zinc/07/33/27/472073327.db2.gz ALGVESFJLQHLKK-UHFFFAOYSA-N 1 0 348.450 2.858 50 0 EFAARO C[NH2+]C(C)(C)C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000067688933 472073646 /nfs/dbraw/zinc/07/36/46/472073646.db2.gz KDHMYSBJQPMHGG-ZWKOTPCHSA-N 1 0 326.440 2.515 50 0 EFAARO CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000067713291 472077974 /nfs/dbraw/zinc/07/79/74/472077974.db2.gz QFOCDFWNZICUKI-HNNXBMFYSA-N 1 0 346.450 2.967 50 0 EFAARO C/C(=C\c1ccco1)C[N@@H+]1CC[C@@H](CNC(=O)c2cncs2)C1 ZINC000067714159 472078233 /nfs/dbraw/zinc/07/82/33/472078233.db2.gz IUHWCKHDTSXDSE-GUNGLEHYSA-N 1 0 331.441 2.891 50 0 EFAARO CC1(C)CC(NC(=O)c2sc3ncccc3c2N)CC(C)(C)[NH2+]1 ZINC000054360578 472080544 /nfs/dbraw/zinc/08/05/44/472080544.db2.gz KFZUJNYDDKEFIM-UHFFFAOYSA-N 1 0 332.473 2.918 50 0 EFAARO Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NCCC[NH+](C)C ZINC000054362930 472081118 /nfs/dbraw/zinc/08/11/18/472081118.db2.gz KIQHNDPEGMGRIV-UHFFFAOYSA-N 1 0 325.261 2.532 50 0 EFAARO Cc1n[nH]c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000067757711 472084799 /nfs/dbraw/zinc/08/47/99/472084799.db2.gz CTGDCPWNCYHLDJ-INIZCTEOSA-N 1 0 332.492 2.730 50 0 EFAARO COC(C)(C)C(=O)NC[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067758295 472084932 /nfs/dbraw/zinc/08/49/32/472084932.db2.gz GFUCRLIBXDURLP-AWEZNQCLSA-N 1 0 329.444 2.531 50 0 EFAARO CC(=O)Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000067758656 472084972 /nfs/dbraw/zinc/08/49/72/472084972.db2.gz JIJUSMTUFKSIQG-INIZCTEOSA-N 1 0 331.460 2.661 50 0 EFAARO c1nn2cc(CN3CCC[C@]4(CC[NH2+]C4)C3)cnc2c1-c1ccccc1 ZINC000067756324 472085021 /nfs/dbraw/zinc/08/50/21/472085021.db2.gz BKQLWICERGOTIN-OAQYLSRUSA-N 1 0 347.466 2.972 50 0 EFAARO O=C(Cn1cccc1)NC[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067757602 472085354 /nfs/dbraw/zinc/08/53/54/472085354.db2.gz XWZOIDVQZMIVLU-MRXNPFEDSA-N 1 0 336.439 2.608 50 0 EFAARO COc1cc2cc(CN(C)[C@@H](C)c3ccon3)c(=O)[nH]c2cc1OC ZINC000067773202 472088101 /nfs/dbraw/zinc/08/81/01/472088101.db2.gz GFNOGHCBUQGOFJ-NSHDSACASA-N 1 0 343.383 2.726 50 0 EFAARO Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)Cc3ccc(O)cc3)C2)c1 ZINC000067774073 472088535 /nfs/dbraw/zinc/08/85/35/472088535.db2.gz FUHSAIXRRWRRND-IBGZPJMESA-N 1 0 338.451 2.881 50 0 EFAARO CCc1nn(C)c(Cl)c1CN1CCC([NH+]2CCSCC2)CC1 ZINC000067805168 472092061 /nfs/dbraw/zinc/09/20/61/472092061.db2.gz LUKVZMIITYKGOB-UHFFFAOYSA-N 1 0 342.940 2.649 50 0 EFAARO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC000067817179 472094057 /nfs/dbraw/zinc/09/40/57/472094057.db2.gz BVEJWSSQOCEVOH-HNNXBMFYSA-N 1 0 341.455 2.626 50 0 EFAARO Cc1noc(C)c1C[NH2+][C@@H](C)COc1ccc2ccc(=O)oc2c1 ZINC000067822087 472094686 /nfs/dbraw/zinc/09/46/86/472094686.db2.gz MDEJNEDRAFUPFB-NSHDSACASA-N 1 0 328.368 2.955 50 0 EFAARO CCOc1ccc2[nH]c(=O)c(C[N@H+](C)C[C@H]3CCCCO3)cc2c1 ZINC000067833401 472095638 /nfs/dbraw/zinc/09/56/38/472095638.db2.gz RDKSGNAEBYLEGK-QGZVFWFLSA-N 1 0 330.428 2.928 50 0 EFAARO CC(C)C[N@H+](C)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067840318 472096880 /nfs/dbraw/zinc/09/68/80/472096880.db2.gz IIHODVSHHVGTKT-HXUWFJFHSA-N 1 0 332.488 2.561 50 0 EFAARO CC(C)[C@@H]([NH3+])C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067847336 472097460 /nfs/dbraw/zinc/09/74/60/472097460.db2.gz NHMUDOZZCLATCS-OAHLLOKOSA-N 1 0 335.354 2.752 50 0 EFAARO c1ccc(OCCNc2nc(-c3ccncc3)nc3c2CC[NH2+]C3)cc1 ZINC000067850129 472097878 /nfs/dbraw/zinc/09/78/78/472097878.db2.gz MNRGYKNOQGTCFH-UHFFFAOYSA-N 1 0 347.422 2.675 50 0 EFAARO O=C(Cc1ccccn1)NC[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000067849993 472097932 /nfs/dbraw/zinc/09/79/32/472097932.db2.gz GNPVQAWUTQPQGP-AWEZNQCLSA-N 1 0 345.393 2.541 50 0 EFAARO C[NH+]1CCC(Cc2noc(-c3cnn(Cc4ccccc4)c3)n2)CC1 ZINC000067856471 472098574 /nfs/dbraw/zinc/09/85/74/472098574.db2.gz ICXAHTHVMUTWLF-UHFFFAOYSA-N 1 0 337.427 2.866 50 0 EFAARO CCc1cc(C[N@@H+]2CC[C@@H](CNC(=O)c3cccc(O)c3C)C2)on1 ZINC000067856224 472098840 /nfs/dbraw/zinc/09/88/40/472098840.db2.gz VZCMMKHQUFJBPF-AWEZNQCLSA-N 1 0 343.427 2.503 50 0 EFAARO C[NH+]1CCC(CNC(=O)C(C)(C)Oc2ccc3c(c2)CCC3)CC1 ZINC000067867709 472101177 /nfs/dbraw/zinc/10/11/77/472101177.db2.gz XMLRTKABHGDKSO-UHFFFAOYSA-N 1 0 330.472 2.791 50 0 EFAARO Cc1cc(C)nc(CNc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)n1 ZINC000067878841 472103413 /nfs/dbraw/zinc/10/34/13/472103413.db2.gz QLSGGTOFXLDVJG-UHFFFAOYSA-N 1 0 346.438 2.808 50 0 EFAARO COc1ccccc1C[N@@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067909103 472108701 /nfs/dbraw/zinc/10/87/01/472108701.db2.gz HQWHNUCUIUZSOV-DLBZAZTESA-N 1 0 341.407 2.774 50 0 EFAARO C[NH+]1CCC(Cc2noc(-c3cccc(Cn4cccn4)c3)n2)CC1 ZINC000067920603 472109360 /nfs/dbraw/zinc/10/93/60/472109360.db2.gz DTIHYHHQKOZXCQ-UHFFFAOYSA-N 1 0 337.427 2.866 50 0 EFAARO O=C(NC[C@@H]1CCC[N@H+](C/C=C/c2ccco2)C1)c1cncs1 ZINC000067934470 472111363 /nfs/dbraw/zinc/11/13/63/472111363.db2.gz GBBQRAQLFLOWIY-IWZWCOEHSA-N 1 0 331.441 2.891 50 0 EFAARO O[C@@H]1C[N@H+](Cc2cccc(F)c2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067935327 472111394 /nfs/dbraw/zinc/11/13/94/472111394.db2.gz XDBWKEBWUDDFKQ-DLBZAZTESA-N 1 0 329.371 2.905 50 0 EFAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H](CCNS(C)(=O)=O)C1 ZINC000067947487 472113355 /nfs/dbraw/zinc/11/33/55/472113355.db2.gz QPTDZAIAHACBQH-OAHLLOKOSA-N 1 0 349.500 2.628 50 0 EFAARO CC(=O)NCCC1=CC[N@H+](CCc2nc3cc(C)ccc3[nH]2)CC1 ZINC000067947994 472113399 /nfs/dbraw/zinc/11/33/99/472113399.db2.gz ILFDGGTUIVDHHK-UHFFFAOYSA-N 1 0 326.444 2.572 50 0 EFAARO COc1ccc2c(c1)C[C@@H](c1nc(CC3CC[NH+](C)CC3)no1)CO2 ZINC000067947663 472113517 /nfs/dbraw/zinc/11/35/17/472113517.db2.gz OUTCDOAHSOSGLO-OAHLLOKOSA-N 1 0 343.427 2.681 50 0 EFAARO Cc1ccccc1NC(=O)CCNc1cc(C2CC[NH2+]CC2)ncn1 ZINC000067954274 472114522 /nfs/dbraw/zinc/11/45/22/472114522.db2.gz MNEJRWCQHKHMGS-UHFFFAOYSA-N 1 0 339.443 2.693 50 0 EFAARO COc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000067982142 472118234 /nfs/dbraw/zinc/11/82/34/472118234.db2.gz VVOPPASAMUPBKM-AWEZNQCLSA-N 1 0 335.448 2.946 50 0 EFAARO CCOc1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)C(C)C)C3)C2)cn1 ZINC000067981793 472118252 /nfs/dbraw/zinc/11/82/52/472118252.db2.gz UQTFFMKJFFXVSC-FQEVSTJZSA-N 1 0 345.487 2.951 50 0 EFAARO O=C(NC[C@H]1CC[N@H+](Cc2ccccn2)C1)Nc1ccc(F)cc1 ZINC000067973777 472118847 /nfs/dbraw/zinc/11/88/47/472118847.db2.gz YGSGJLDOWFPDPO-CQSZACIVSA-N 1 0 328.391 2.864 50 0 EFAARO COc1cccc(NC(=O)NC[C@H]2CC[N@H+](Cc3cc(C)no3)C2)c1 ZINC000067982067 472118977 /nfs/dbraw/zinc/11/89/77/472118977.db2.gz LGRGNUZYFGEDFF-CQSZACIVSA-N 1 0 344.415 2.635 50 0 EFAARO CCC(=O)NCC1CC[NH+](CC2=Cc3cc(OC)ccc3OC2)CC1 ZINC000067975414 472119039 /nfs/dbraw/zinc/11/90/39/472119039.db2.gz KODNVHABZSKRRC-UHFFFAOYSA-N 1 0 344.455 2.709 50 0 EFAARO COc1cccc(CNc2cc(C3CC[NH2+]CC3)ncn2)c1OC ZINC000067973607 472119092 /nfs/dbraw/zinc/11/90/92/472119092.db2.gz NFXKWDZRBDQNJU-UHFFFAOYSA-N 1 0 328.416 2.573 50 0 EFAARO COc1ccccc1/C=C/C[NH+]1CCC(n2cc([C@@H](C)O)nn2)CC1 ZINC000055060696 472136137 /nfs/dbraw/zinc/13/61/37/472136137.db2.gz ANIHGMGMVUSZNU-KEDPEKRHSA-N 1 0 342.443 2.690 50 0 EFAARO CCc1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2C=CC[NH2+]2)c1 ZINC000055061022 472137027 /nfs/dbraw/zinc/13/70/27/472137027.db2.gz INIRSAHJAVPRQO-GOSISDBHSA-N 1 0 335.407 2.968 50 0 EFAARO NC(=O)CCn1cc(C[NH2+]CCCc2ccncc2)c2ccccc21 ZINC000055133361 472143137 /nfs/dbraw/zinc/14/31/37/472143137.db2.gz VPNIPGWVBPECAO-UHFFFAOYSA-N 1 0 336.439 2.634 50 0 EFAARO CC[C@@H](C)Oc1ccc(C[NH+]2CCC(NC(C)=O)CC2)cc1OC ZINC000055197612 472150808 /nfs/dbraw/zinc/15/08/08/472150808.db2.gz DUQHCWKJUOHADM-CQSZACIVSA-N 1 0 334.460 2.973 50 0 EFAARO O=C(C1CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1)N1CCCC1 ZINC000055211793 472152974 /nfs/dbraw/zinc/15/29/74/472152974.db2.gz TXAGZFOGVGOTBE-RBUKOAKNSA-N 1 0 333.520 2.585 50 0 EFAARO CCOc1cc(Cl)c(C[NH2+]CCSc2nc[nH]n2)cc1OC ZINC000055282393 472163729 /nfs/dbraw/zinc/16/37/29/472163729.db2.gz FKQRIVXICXBSTF-UHFFFAOYSA-N 1 0 342.852 2.747 50 0 EFAARO O=C(CC12CC3CC(CC(C3)C1)C2)NCCC[N@H+]1CCC[C@@H](CO)C1 ZINC000055359778 472173238 /nfs/dbraw/zinc/17/32/38/472173238.db2.gz RSKBOENXVDAEHB-HINLZNOGSA-N 1 0 348.531 2.804 50 0 EFAARO CCCC(=O)Nc1cc(C(=O)NCC[C@H]2CCC[N@@H+]2C)ccc1C ZINC000055368849 472174269 /nfs/dbraw/zinc/17/42/69/472174269.db2.gz GRPKYDXOWZSOND-MRXNPFEDSA-N 1 0 331.460 2.948 50 0 EFAARO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000055374403 472174340 /nfs/dbraw/zinc/17/43/40/472174340.db2.gz GWKOSVNUWISQIM-SJORKVTESA-N 1 0 336.501 2.880 50 0 EFAARO CCc1oc(C(=O)NC[C@@H]2CC(CC)=NO2)cc1C[NH+](CC)CC ZINC000055371019 472174589 /nfs/dbraw/zinc/17/45/89/472174589.db2.gz QSEGGMMMRUCWNQ-HNNXBMFYSA-N 1 0 335.448 2.969 50 0 EFAARO O=C(NCCc1ccccc1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473232 472253390 /nfs/dbraw/zinc/25/33/90/472253390.db2.gz OPKPXGMOWUCBQW-GOSISDBHSA-N 1 0 347.528 2.842 50 0 EFAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccco2)n[nH]1 ZINC000085879818 472269852 /nfs/dbraw/zinc/26/98/52/472269852.db2.gz YSVKCYCPZSDEBP-XJKSGUPXSA-N 1 0 328.416 2.664 50 0 biogenic EFAARO Cc1ccc([C@H](CNC(=O)Cc2ccc(C)nc2)[NH+]2CCCC2)o1 ZINC000069377487 472331408 /nfs/dbraw/zinc/33/14/08/472331408.db2.gz AIICBGOQJOHKQY-KRWDZBQOSA-N 1 0 327.428 2.787 50 0 EFAARO O=C(C[C@H]1C[NH2+]CCO1)NCCC(c1ccccc1)c1ccccc1 ZINC000097009892 472406437 /nfs/dbraw/zinc/40/64/37/472406437.db2.gz HSIHWNYIZBFJJG-IBGZPJMESA-N 1 0 338.451 2.703 50 0 EFAARO COCC[N@@H+]1CC[C@H](CN(C)Cc2cn(-c3ccccc3)nc2C)C1 ZINC000097259319 472487441 /nfs/dbraw/zinc/48/74/41/472487441.db2.gz OLOBXZBOYUVOCL-GOSISDBHSA-N 1 0 342.487 2.581 50 0 EFAARO c1cnn(-c2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)c1 ZINC000097375306 472493295 /nfs/dbraw/zinc/49/32/95/472493295.db2.gz HHALFXDGUBBDNI-UHFFFAOYSA-N 1 0 333.439 2.585 50 0 EFAARO c1ccc(C[NH+]2CCC(Cc3nnc([C@H]4CCOC4)[nH]3)CC2)cc1 ZINC000097547881 472499222 /nfs/dbraw/zinc/49/92/22/472499222.db2.gz HIMHCJCWMMDVCZ-KRWDZBQOSA-N 1 0 326.444 2.763 50 0 EFAARO Cc1ccc(-c2cccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3CO)c2)o1 ZINC000097527807 472499662 /nfs/dbraw/zinc/49/96/62/472499662.db2.gz PBNMKURGFMZHNR-GOSISDBHSA-N 1 0 342.439 2.832 50 0 EFAARO Cc1ccc([C@H](C)CC[NH+]2CCN(c3ncnc4nc[nH]c43)CC2)o1 ZINC000097551385 472499952 /nfs/dbraw/zinc/49/99/52/472499952.db2.gz PRRCXNQXEWKMBT-CYBMUJFWSA-N 1 0 340.431 2.570 50 0 EFAARO CC(C)=CCN1CCc2nc[nH]c2C12CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000097578877 472501275 /nfs/dbraw/zinc/50/12/75/472501275.db2.gz PNBVVVDBFYLCID-KRWDZBQOSA-N 1 0 344.503 2.562 50 0 EFAARO [NH3+]CC[C@@H]1CN(Cc2cccc(OCc3ccccc3)c2)CCO1 ZINC000097578995 472501370 /nfs/dbraw/zinc/50/13/70/472501370.db2.gz YZSBGNQSQULRJR-HXUWFJFHSA-N 1 0 326.440 2.815 50 0 EFAARO [NH3+]CC[C@H]1CN(Cc2cccc(OCc3ccccc3)c2)CCO1 ZINC000097578997 472501532 /nfs/dbraw/zinc/50/15/32/472501532.db2.gz YZSBGNQSQULRJR-FQEVSTJZSA-N 1 0 326.440 2.815 50 0 EFAARO OC1(Cn2ccnc2)CC[NH+](Cc2ccc([C@H]3CCCO3)s2)CC1 ZINC000097568987 472501754 /nfs/dbraw/zinc/50/17/54/472501754.db2.gz AADXLYNYNVTUOR-MRXNPFEDSA-N 1 0 347.484 2.823 50 0 EFAARO Cc1cccc(CC2(NC(=O)C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000097681690 472504666 /nfs/dbraw/zinc/50/46/66/472504666.db2.gz QSJZALHMYDZQHC-GOSISDBHSA-N 1 0 330.472 2.686 50 0 EFAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1cc(F)ccc1-n1cccn1 ZINC000097813688 472507847 /nfs/dbraw/zinc/50/78/47/472507847.db2.gz UKUQWOZEQRKNQS-AWEZNQCLSA-N 1 0 325.391 2.864 50 0 EFAARO CN(C(=O)c1nn(C)c2c1CCCC2)[C@H](C[NH+](C)C)c1ccccc1 ZINC000097797587 472507903 /nfs/dbraw/zinc/50/79/03/472507903.db2.gz JGOCXKKAGIBXHC-GOSISDBHSA-N 1 0 340.471 2.674 50 0 EFAARO c1ccc(-n2nc(C3CCOCC3)nc2CC2CC[NH2+]CC2)cc1 ZINC000097813603 472508639 /nfs/dbraw/zinc/50/86/39/472508639.db2.gz OBXVNANOUAZBIS-UHFFFAOYSA-N 1 0 326.444 2.703 50 0 EFAARO Cc1noc2nc(C)cc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)c12 ZINC000058181520 472513973 /nfs/dbraw/zinc/51/39/73/472513973.db2.gz DPTVEQRFNBZVIZ-CQSZACIVSA-N 1 0 330.432 2.690 50 0 EFAARO Cc1cc(COc2ccccc2)oc1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000077556141 472555564 /nfs/dbraw/zinc/55/55/64/472555564.db2.gz XJZDTWKMNCSSQS-MAUKXSAKSA-N 1 0 340.423 2.943 50 0 EFAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC000072120757 472631611 /nfs/dbraw/zinc/63/16/11/472631611.db2.gz UOUFMKGRHWBFRC-SNVBAGLBSA-N 1 0 326.322 2.535 50 0 EFAARO Cc1cccc(N2CCC([N@@H+]3CC[C@]4(CN(C)C(=O)O4)C3)CC2)c1C ZINC000072454139 472665144 /nfs/dbraw/zinc/66/51/44/472665144.db2.gz PHIRRUKSVXPPSB-FQEVSTJZSA-N 1 0 343.471 2.799 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2ccc(O)c(Cl)c2)C[C@H]1CCO ZINC000104497882 472674843 /nfs/dbraw/zinc/67/48/43/472674843.db2.gz BRRSCNLIZHLHKT-OAHLLOKOSA-N 1 0 326.868 2.570 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@H]1CCO ZINC000104837818 472697041 /nfs/dbraw/zinc/69/70/41/472697041.db2.gz NZDYMXSHWJOHML-LJQANCHMSA-N 1 0 348.535 2.982 50 0 EFAARO COc1cc(OC)cc([C@@H]2[NH2+]CC[C@@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000061718092 472714997 /nfs/dbraw/zinc/71/49/97/472714997.db2.gz IIMARLGIJHJGPN-HKUYNNGSSA-N 1 0 342.370 2.767 50 0 EFAARO COc1cc(OC)cc([C@H]2[NH2+]CC[C@@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000061718091 472715272 /nfs/dbraw/zinc/71/52/72/472715272.db2.gz IIMARLGIJHJGPN-MJGOQNOKSA-N 1 0 342.370 2.767 50 0 EFAARO COCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000062373097 472736047 /nfs/dbraw/zinc/73/60/47/472736047.db2.gz OUFVFKHZUGVXLJ-NSHDSACASA-N 1 0 329.803 2.569 50 0 EFAARO Cc1nc(CC(=O)N[C@H]2C[N@H+](CC3CCC3)C[C@@H]2C2CC2)cs1 ZINC000091255204 472748932 /nfs/dbraw/zinc/74/89/32/472748932.db2.gz QBKBZXYCKIKXOM-SJORKVTESA-N 1 0 333.501 2.621 50 0 EFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)NC(C)C)C3)cc1 ZINC000091270555 472750940 /nfs/dbraw/zinc/75/09/40/472750940.db2.gz GAKUBRLYQMWKNH-DLBZAZTESA-N 1 0 331.460 2.709 50 0 EFAARO COc1ccnc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1OC ZINC000091289354 472752630 /nfs/dbraw/zinc/75/26/30/472752630.db2.gz FOYJRTIALNGFIE-DLBZAZTESA-N 1 0 345.487 2.795 50 0 EFAARO CC[C@H]1CN(C(=O)c2ccc(OC)c(F)c2F)CC[N@@H+]1C(C)C ZINC000091325284 472757198 /nfs/dbraw/zinc/75/71/98/472757198.db2.gz FOLHCVCLMVLCAV-LBPRGKRZSA-N 1 0 326.387 2.918 50 0 EFAARO CC[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2F)CC[N@@H+]1C(C)C ZINC000091325282 472757299 /nfs/dbraw/zinc/75/72/99/472757299.db2.gz FOLHCVCLMVLCAV-GFCCVEGCSA-N 1 0 326.387 2.918 50 0 EFAARO CC(C)C(=O)N1CCC([N@@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000091410430 472762970 /nfs/dbraw/zinc/76/29/70/472762970.db2.gz BUHULSIUKWYWDJ-IBGZPJMESA-N 1 0 344.499 2.690 50 0 EFAARO COCC[C@@]1(CO)CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000091382124 472763265 /nfs/dbraw/zinc/76/32/65/472763265.db2.gz DXTUNVUBBJTGJS-KRWDZBQOSA-N 1 0 327.852 2.830 50 0 EFAARO COCC[NH+]1CCC(CN2C[C@@](C)(c3ccccc3)CCC2=O)CC1 ZINC000091381888 472763311 /nfs/dbraw/zinc/76/33/11/472763311.db2.gz ZXKWIHBMKMDMCM-NRFANRHFSA-N 1 0 344.499 2.925 50 0 EFAARO Cc1nc(CCNC(=O)CC[C@@H]2CCC[N@@H+](C)C2)sc1Cl ZINC000091391505 472763567 /nfs/dbraw/zinc/76/35/67/472763567.db2.gz CKJBGMXUWXUXJZ-LBPRGKRZSA-N 1 0 329.897 2.886 50 0 EFAARO CC(C)C(=O)N1CCC([N@@H+]2CC[C@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000091410427 472763598 /nfs/dbraw/zinc/76/35/98/472763598.db2.gz BUHULSIUKWYWDJ-LJQANCHMSA-N 1 0 344.499 2.690 50 0 EFAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCCN1CCCc2ccccc21 ZINC000091411386 472763612 /nfs/dbraw/zinc/76/36/12/472763612.db2.gz BXFCMBGQDIYBND-IBGZPJMESA-N 1 0 329.488 2.820 50 0 EFAARO Cc1cc(F)cc(C[NH+]2CCC3(CCC(=O)N(CCCO)C3)CC2)c1 ZINC000091426319 472764397 /nfs/dbraw/zinc/76/43/97/472764397.db2.gz WUPFMOJKAKWAPS-UHFFFAOYSA-N 1 0 348.462 2.721 50 0 EFAARO COCC[C@@]1(CO)CCC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000091444635 472767307 /nfs/dbraw/zinc/76/73/07/472767307.db2.gz ANSKJOSIUJJOFX-HNNXBMFYSA-N 1 0 332.366 2.711 50 0 EFAARO COCC[N@@H+]1CC[C@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C1 ZINC000091526183 472774814 /nfs/dbraw/zinc/77/48/14/472774814.db2.gz OOPGVUJMIVXPFG-SFHVURJKSA-N 1 0 348.462 2.575 50 0 EFAARO CSc1ccccc1-n1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000091574898 472777004 /nfs/dbraw/zinc/77/70/04/472777004.db2.gz NNIKCXPECLQFPA-UHFFFAOYSA-N 1 0 340.456 2.777 50 0 EFAARO O=c1cc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)[nH]c2ccccc12 ZINC000091595867 472781077 /nfs/dbraw/zinc/78/10/77/472781077.db2.gz VLWAZJJMVWBOME-FUHWJXTLSA-N 1 0 337.467 2.834 50 0 EFAARO Cc1cccc(C)c1OC1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000091620646 472783509 /nfs/dbraw/zinc/78/35/09/472783509.db2.gz JQVJLJGHRLBXDY-LJQANCHMSA-N 1 0 336.435 2.608 50 0 EFAARO C[C@H](CO)C[NH+]1CCC2(CC(=O)N(CCCc3ccccc3)C2)CC1 ZINC000091604875 472783684 /nfs/dbraw/zinc/78/36/84/472783684.db2.gz DMVCXTNIOHJXFL-SFHVURJKSA-N 1 0 344.499 2.562 50 0 EFAARO CCc1ccccc1C[NH+]1CCC2(CCC(=O)N(C[C@@H](C)O)C2)CC1 ZINC000091644596 472788815 /nfs/dbraw/zinc/78/88/15/472788815.db2.gz WZKBNLOCUXKTHN-QGZVFWFLSA-N 1 0 344.499 2.834 50 0 EFAARO CSc1ccc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091656768 472789754 /nfs/dbraw/zinc/78/97/54/472789754.db2.gz PNOQXFVNSPJTTG-IBGZPJMESA-N 1 0 347.528 2.537 50 0 EFAARO O=C(CSc1ccc(F)cc1)N1CC[C@H](Oc2ccncc2)C1 ZINC000121048131 472789946 /nfs/dbraw/zinc/78/99/46/472789946.db2.gz AEVUNRDAXXONOY-HNNXBMFYSA-N 1 0 332.400 2.993 50 0 EFAARO C[C@@H]1C[N@H+](CCC(=O)N(C)Cc2ccccc2)C[C@@]1(O)C1CCC1 ZINC000091664098 472789961 /nfs/dbraw/zinc/78/99/61/472789961.db2.gz ZRBCQRVJMMTZCR-UZLBHIALSA-N 1 0 330.472 2.518 50 0 EFAARO CC(C)c1nc(CN(C)C(=O)[C@H]2Cc3ccccc3C[NH2+]2)cs1 ZINC000091656309 472790153 /nfs/dbraw/zinc/79/01/53/472790153.db2.gz RYJKCJIOXVREML-MRXNPFEDSA-N 1 0 329.469 2.939 50 0 EFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(O)c(Cl)c1)C2 ZINC000091650286 472790841 /nfs/dbraw/zinc/79/08/41/472790841.db2.gz RQFDXZKEOKSUSA-HUUCEWRRSA-N 1 0 336.863 2.921 50 0 EFAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)o1 ZINC000091713984 472797324 /nfs/dbraw/zinc/79/73/24/472797324.db2.gz IRENQZFWPCFTJI-NVXWUHKLSA-N 1 0 325.412 2.720 50 0 EFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C)oc1C)CC2 ZINC000091726095 472797352 /nfs/dbraw/zinc/79/73/52/472797352.db2.gz BRDDUPQWWLRPQC-UHFFFAOYSA-N 1 0 342.443 2.629 50 0 EFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)N2CCCC2)C3)cc1 ZINC000091770454 472804845 /nfs/dbraw/zinc/80/48/45/472804845.db2.gz QHYCPPKNRZLKSS-ZWKOTPCHSA-N 1 0 343.471 2.807 50 0 EFAARO CN1CCC[C@]2(CC[N@H+](CCCCOCc3ccccc3)C2)C1=O ZINC000091769811 472805359 /nfs/dbraw/zinc/80/53/59/472805359.db2.gz YBQDFPDGDWXOEI-HXUWFJFHSA-N 1 0 330.472 2.928 50 0 EFAARO Cc1cc(C)n(-c2cccc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4C)C3)c2)n1 ZINC000091770126 472805378 /nfs/dbraw/zinc/80/53/78/472805378.db2.gz NIBBQFPZPLVJKU-VQIMIIECSA-N 1 0 338.455 2.655 50 0 EFAARO CC(C)[C@H]([NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1)c1nccn1C ZINC000091781220 472807118 /nfs/dbraw/zinc/80/71/18/472807118.db2.gz FNJPRYYNULGCFS-KRWDZBQOSA-N 1 0 328.391 2.888 50 0 EFAARO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(Cn2cc(C3CCCC3)nn2)CC1 ZINC000048066936 472807801 /nfs/dbraw/zinc/80/78/01/472807801.db2.gz CJVNMWNMSGLFQO-KSSFIOAISA-N 1 0 347.507 2.548 50 0 EFAARO Cn1ccc2ccc(CN3CC[C@H]([NH+](C)C)[C@H](CCCO)C3)cc21 ZINC000091808939 472810715 /nfs/dbraw/zinc/81/07/15/472810715.db2.gz QEVHUUDTYRFNRG-MOPGFXCFSA-N 1 0 329.488 2.703 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(F)c(Cl)c1)C2 ZINC000091829498 472813830 /nfs/dbraw/zinc/81/38/30/472813830.db2.gz RCACBFGZHYKXOM-TZMCWYRMSA-N 1 0 340.826 2.662 50 0 EFAARO Cc1cc(N2CCC(c3nccn3CC3CCC3)CC2)nc(N)[nH+]1 ZINC000091848773 472816295 /nfs/dbraw/zinc/81/62/95/472816295.db2.gz XBMPTSPSFDAWSJ-UHFFFAOYSA-N 1 0 326.448 2.748 50 0 EFAARO O=C(NCc1ccccc1F)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091915067 472825976 /nfs/dbraw/zinc/82/59/76/472825976.db2.gz NHKBCOTUSSYGFP-NVXWUHKLSA-N 1 0 331.435 2.842 50 0 EFAARO CSc1ccccc1CN1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091933824 472829219 /nfs/dbraw/zinc/82/92/19/472829219.db2.gz JJXUYFKAKKSFNF-QZTJIDSGSA-N 1 0 334.529 2.935 50 0 EFAARO CSc1ccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000091935126 472829316 /nfs/dbraw/zinc/82/93/16/472829316.db2.gz XFVPVBTUFADTDQ-QZTJIDSGSA-N 1 0 334.529 2.935 50 0 EFAARO Cn1nc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079189475 472829652 /nfs/dbraw/zinc/82/96/52/472829652.db2.gz BVNOCQFUEAJMIL-GOEBONIOSA-N 1 0 326.444 2.568 50 0 biogenic EFAARO Cc1noc2nc(C)cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c12 ZINC000079193970 472829939 /nfs/dbraw/zinc/82/99/39/472829939.db2.gz BZBGQWVSMLYZQQ-GOEBONIOSA-N 1 0 342.443 2.834 50 0 biogenic EFAARO [NH3+]CCc1ccc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)cc1 ZINC000091950661 472830823 /nfs/dbraw/zinc/83/08/23/472830823.db2.gz ACMZTMNKRMECBO-RBUKOAKNSA-N 1 0 342.414 2.627 50 0 EFAARO COCC1(C(=O)N[C@H]2CN(c3cc[nH+]c(C)c3)C[C@@H]2C2CC2)CCC1 ZINC000091965700 472832860 /nfs/dbraw/zinc/83/28/60/472832860.db2.gz FTZUUJXQVSNDLD-MSOLQXFVSA-N 1 0 343.471 2.538 50 0 EFAARO CCCc1cc(C(=O)N[C@H](C)C[N@@H+]2CCc3ccccc3C2)[nH]n1 ZINC000091966321 472834995 /nfs/dbraw/zinc/83/49/95/472834995.db2.gz JGPDRKAAKBXBJU-CQSZACIVSA-N 1 0 326.444 2.539 50 0 EFAARO c1cnn(Cc2nnc(C3CC[NH+](C4CCCC4)CC3)n2C2CC2)c1 ZINC000091966247 472835273 /nfs/dbraw/zinc/83/52/73/472835273.db2.gz ULMRYZNYPYEYFH-UHFFFAOYSA-N 1 0 340.475 2.980 50 0 EFAARO CCC[C@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1NC(=O)C1(COC)CCC1 ZINC000092019370 472844955 /nfs/dbraw/zinc/84/49/55/472844955.db2.gz PNUFZPQZZKFGIE-RDJZCZTQSA-N 1 0 349.475 2.516 50 0 EFAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCCc2c[nH]c3ccc(OC)cc23)C1 ZINC000092037341 472846153 /nfs/dbraw/zinc/84/61/53/472846153.db2.gz SKUBNTFPHWPWMU-HXUWFJFHSA-N 1 0 343.471 2.957 50 0 EFAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1oc2cc(C)ccc2c1C ZINC000092061952 472848529 /nfs/dbraw/zinc/84/85/29/472848529.db2.gz SYMGFNDPTSALCE-RDJZCZTQSA-N 1 0 330.428 2.887 50 0 EFAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)C2CCCCC2)CC1 ZINC000092065469 472849229 /nfs/dbraw/zinc/84/92/29/472849229.db2.gz UPEUSTSSPCMHCE-UHFFFAOYSA-N 1 0 332.492 2.731 50 0 EFAARO CC(C)(C)c1cc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)[nH]n1 ZINC000092098713 472859131 /nfs/dbraw/zinc/85/91/31/472859131.db2.gz YQDPSZNHPOZPIX-FQEVSTJZSA-N 1 0 344.503 2.932 50 0 EFAARO Cn1c(CN2CCCCCC2)nnc1C1CC[NH+](CC2CC2)CC1 ZINC000092099049 472859335 /nfs/dbraw/zinc/85/93/35/472859335.db2.gz OFJXHGSWWQSVBJ-UHFFFAOYSA-N 1 0 331.508 2.781 50 0 EFAARO COc1cccc(N2CC[NH+](C[C@@H](O)c3ccc(C)cc3)CC2)c1 ZINC000065255288 472916669 /nfs/dbraw/zinc/91/66/69/472916669.db2.gz YBVOPGGMMKQHCE-HXUWFJFHSA-N 1 0 326.440 2.859 50 0 EFAARO Cc1cc(N(C)C)nc(NCCNC(=O)Nc2cccc(C)c2C)[nH+]1 ZINC000065363214 472927174 /nfs/dbraw/zinc/92/71/74/472927174.db2.gz ILLYQNVSHHFKAK-UHFFFAOYSA-N 1 0 342.447 2.701 50 0 EFAARO Cc1nc2c(c(NCCOc3cccc4cccnc43)n1)CC[NH2+]CC2 ZINC000065371446 472928648 /nfs/dbraw/zinc/92/86/48/472928648.db2.gz IQGZKVDDMGWDDW-UHFFFAOYSA-N 1 0 349.438 2.512 50 0 EFAARO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2ccc3c(c2)OCCCO3)C1 ZINC000065374686 472929974 /nfs/dbraw/zinc/92/99/74/472929974.db2.gz VMAFMXIEAJGBPT-HNNXBMFYSA-N 1 0 332.444 2.586 50 0 EFAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCc2ccc(-c3noc(C)n3)cc2)C1 ZINC000065382679 472930067 /nfs/dbraw/zinc/93/00/67/472930067.db2.gz RLCVBAAZHHKUKO-IBGZPJMESA-N 1 0 342.443 2.783 50 0 EFAARO Cc1ccc(C)c(NC(=O)CC[NH2+][C@@H](C)C(=O)Nc2nccs2)c1 ZINC000065376115 472930252 /nfs/dbraw/zinc/93/02/52/472930252.db2.gz YZMBVMBKGBSTAL-ZDUSSCGKSA-N 1 0 346.456 2.705 50 0 EFAARO Cc1sc2nc(CC[NH3+])nc(N(C)CCc3ccccn3)c2c1C ZINC000065382588 472930356 /nfs/dbraw/zinc/93/03/56/472930356.db2.gz VSYGOCAUAAZSGH-UHFFFAOYSA-N 1 0 341.484 2.883 50 0 EFAARO CC(C)c1nc(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCCCC3)C2)no1 ZINC000065385020 472930875 /nfs/dbraw/zinc/93/08/75/472930875.db2.gz FPLQCBKHGMMFQP-OAHLLOKOSA-N 1 0 348.491 2.896 50 0 EFAARO O=C(C[NH2+][C@H]1COC2(CCCC2)C1)NCCc1cccc(Cl)c1 ZINC000065395783 472932436 /nfs/dbraw/zinc/93/24/36/472932436.db2.gz NPMQRERTNULABW-MRXNPFEDSA-N 1 0 336.863 2.690 50 0 EFAARO CC(C)[N@@H+](Cc1coc2ccc(Cl)cc2c1=O)C[C@@H]1CCC(=O)N1 ZINC000065404306 472935361 /nfs/dbraw/zinc/93/53/61/472935361.db2.gz YGKDCZPQBYDOGT-AWEZNQCLSA-N 1 0 348.830 2.935 50 0 EFAARO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(OC)c1)c1ccnn1C ZINC000065403450 472935452 /nfs/dbraw/zinc/93/54/52/472935452.db2.gz NBTYJJVLTBGCCG-ZDUSSCGKSA-N 1 0 336.823 2.762 50 0 EFAARO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000065418846 472938736 /nfs/dbraw/zinc/93/87/36/472938736.db2.gz QGTPCDZAVGBMLV-HNNXBMFYSA-N 1 0 326.444 2.751 50 0 EFAARO CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)cn1 ZINC000065417210 472938919 /nfs/dbraw/zinc/93/89/19/472938919.db2.gz RCFBLXBDRBQFDZ-ZWKOTPCHSA-N 1 0 330.403 2.970 50 0 EFAARO CCc1ccc2oc(=O)cc(C[N@H+]3CC=C(CNC(C)=O)CC3)c2c1 ZINC000065424883 472940238 /nfs/dbraw/zinc/94/02/38/472940238.db2.gz HFTWLRFWDICLMZ-UHFFFAOYSA-N 1 0 340.423 2.624 50 0 EFAARO O=C(CC[N@@H+]1CCC[C@H](OCc2cccnc2)C1)Nc1nccs1 ZINC000065430965 472941808 /nfs/dbraw/zinc/94/18/08/472941808.db2.gz XHMRNTIGXPYREL-HNNXBMFYSA-N 1 0 346.456 2.548 50 0 EFAARO CCc1ccccc1OCC[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000065491769 472955301 /nfs/dbraw/zinc/95/53/01/472955301.db2.gz MSSQBWCKIPFWKD-UHFFFAOYSA-N 1 0 326.444 2.630 50 0 EFAARO O=C(NC1CC1)c1cc2n(n1)CCCN(c1cc[nH+]c3ccccc31)C2 ZINC000065492737 472956056 /nfs/dbraw/zinc/95/60/56/472956056.db2.gz BUZCAPNVEOVUAV-UHFFFAOYSA-N 1 0 347.422 2.734 50 0 EFAARO COc1ccc(OC)c([C@H]2CC[N@@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000065504284 472958955 /nfs/dbraw/zinc/95/89/55/472958955.db2.gz IPWMBAHNFYUDNV-HNNXBMFYSA-N 1 0 332.444 2.504 50 0 EFAARO Cc1ncsc1CCCNc1nc(C)nc2c1CC[N@H+](C)CC2 ZINC000065508130 472960036 /nfs/dbraw/zinc/96/00/36/472960036.db2.gz VKCLPJUEZSYHOY-UHFFFAOYSA-N 1 0 331.489 2.625 50 0 EFAARO CC(C)C[N@@H+]1CCCC[C@@H]1Cc1nc2c([nH]1)C(=O)NCC(C)(C)C2 ZINC000065528014 472967196 /nfs/dbraw/zinc/96/71/96/472967196.db2.gz NQWNOMUCGAPBOJ-CQSZACIVSA-N 1 0 332.492 2.775 50 0 EFAARO CCn1c(=O)n(CC23CC4CC(CC(C4)C2)C3)nc1C1CC[NH2+]CC1 ZINC000065527669 472967437 /nfs/dbraw/zinc/96/74/37/472967437.db2.gz LPDFUFUBHRKTDA-UHFFFAOYSA-N 1 0 344.503 2.748 50 0 EFAARO Cc1cc(C)n(C[C@@H](C)Nc2ncnc3sc4c(c32)CC[NH2+]C4)n1 ZINC000065535595 472969577 /nfs/dbraw/zinc/96/95/77/472969577.db2.gz UNPVXMANQADAGE-LLVKDONJSA-N 1 0 342.472 2.651 50 0 EFAARO O=C([C@@H]1CCOC1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065623800 472994979 /nfs/dbraw/zinc/99/49/79/472994979.db2.gz IMIFBYPLOVBYMS-QYZOEREBSA-N 1 0 328.456 2.679 50 0 EFAARO COC(C)(C)CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000075313013 473165227 /nfs/dbraw/zinc/16/52/27/473165227.db2.gz XVBOJCZJAKITIT-UHFFFAOYSA-N 1 0 347.503 2.762 50 0 EFAARO COc1cccc2ccc(C[NH+]3CCC4(CC3)OCCC[C@H]4O)nc21 ZINC000095357722 473190327 /nfs/dbraw/zinc/19/03/27/473190327.db2.gz KJLLFGRCPARMLL-GOSISDBHSA-N 1 0 342.439 2.749 50 0 EFAARO CC[C@H](NC(=O)CCC[NH+]1CCCCC1)c1cn2cccnc2n1 ZINC000095359677 473190417 /nfs/dbraw/zinc/19/04/17/473190417.db2.gz KBOHIQOACNVRTA-HNNXBMFYSA-N 1 0 329.448 2.563 50 0 EFAARO Cc1cc(C(F)(F)F)nn1CCNc1cc(C(C)C)[nH+]c(N)n1 ZINC000095355438 473190806 /nfs/dbraw/zinc/19/08/06/473190806.db2.gz LAXJJJQGWOPERH-UHFFFAOYSA-N 1 0 328.342 2.818 50 0 EFAARO CC(C)(C)C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095356552 473190849 /nfs/dbraw/zinc/19/08/49/473190849.db2.gz WNPWCNACROGPNG-RCCFBDPRSA-N 1 0 328.456 2.827 50 0 EFAARO CCCCn1ccnc1[C@@H]1CCCN(C(=O)CC[NH+]2CCCC2)C1 ZINC000095361852 473190877 /nfs/dbraw/zinc/19/08/77/473190877.db2.gz WMWJEZUHJIAQHA-QGZVFWFLSA-N 1 0 332.492 2.875 50 0 EFAARO Nc1nc(CCCNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)cs1 ZINC000095358781 473191163 /nfs/dbraw/zinc/19/11/63/473191163.db2.gz RYAUVUUXQAJFMK-OAHLLOKOSA-N 1 0 344.484 2.555 50 0 EFAARO CCOC(=O)N1C[C@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095353977 473191204 /nfs/dbraw/zinc/19/12/04/473191204.db2.gz TZMJPDPTBGGQDQ-KZNAEPCWSA-N 1 0 330.428 2.714 50 0 EFAARO Cc1nccn1CCCC(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000095370644 473192007 /nfs/dbraw/zinc/19/20/07/473192007.db2.gz FULSINQBCRGZJM-GOSISDBHSA-N 1 0 332.492 2.839 50 0 EFAARO CCCn1cnnc1C[NH2+]C1CCN(c2nc3ccccc3o2)CC1 ZINC000095369725 473192081 /nfs/dbraw/zinc/19/20/81/473192081.db2.gz TZTGTQOROLDANB-UHFFFAOYSA-N 1 0 340.431 2.588 50 0 EFAARO Cc1c(Cl)cc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000095371301 473192342 /nfs/dbraw/zinc/19/23/42/473192342.db2.gz JERDPZVBFNNXTP-GJZGRUSLSA-N 1 0 343.254 2.583 50 0 EFAARO CCCOCC[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC000095366563 473192548 /nfs/dbraw/zinc/19/25/48/473192548.db2.gz RJVCBHBFUUSTLG-SFHVURJKSA-N 1 0 330.472 2.894 50 0 EFAARO CC(C)n1ccnc1[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000095372004 473192589 /nfs/dbraw/zinc/19/25/89/473192589.db2.gz MEYXIZDUQFYKDY-KRWDZBQOSA-N 1 0 326.444 2.943 50 0 EFAARO CCCn1cc(CNC(=O)C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000095367754 473192674 /nfs/dbraw/zinc/19/26/74/473192674.db2.gz TZAMTUZCILDMBB-UHFFFAOYSA-N 1 0 332.492 2.954 50 0 EFAARO c1nc(-c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)n(C2CCCCC2)n1 ZINC000095366073 473192817 /nfs/dbraw/zinc/19/28/17/473192817.db2.gz QKQKAQRZDJZMPJ-AWEZNQCLSA-N 1 0 329.452 2.574 50 0 EFAARO Cc1nn(CCCNC(=O)[C@H]2CCCCC[N@H+]2C)c(C)c1Cl ZINC000095370916 473192822 /nfs/dbraw/zinc/19/28/22/473192822.db2.gz BQQWIPPFHJKPJO-CQSZACIVSA-N 1 0 326.872 2.534 50 0 EFAARO CCc1nccn1CCNC(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000095379500 473192906 /nfs/dbraw/zinc/19/29/06/473192906.db2.gz NXEDMFNJRYVORW-DLBZAZTESA-N 1 0 332.492 2.606 50 0 EFAARO C[C@H](Cc1cnccn1)NC(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095379630 473192979 /nfs/dbraw/zinc/19/29/79/473192979.db2.gz IBFHOSWCQALANU-OAHLLOKOSA-N 1 0 330.476 2.569 50 0 EFAARO Cc1cc(C(F)(F)F)nc(CNC(=O)CC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000095378903 473193142 /nfs/dbraw/zinc/19/31/42/473193142.db2.gz ZMAMDDMYKUPAKI-LBPRGKRZSA-N 1 0 344.381 2.542 50 0 EFAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 ZINC000095381884 473193213 /nfs/dbraw/zinc/19/32/13/473193213.db2.gz JMUCOBRJJUBQGL-QGZVFWFLSA-N 1 0 347.478 2.985 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1csc(N2CCCC2)n1 ZINC000095375354 473193369 /nfs/dbraw/zinc/19/33/69/473193369.db2.gz NGFSQSPFGDBOEY-HNNXBMFYSA-N 1 0 336.505 2.624 50 0 EFAARO Cc1noc(C)c1CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095374089 473193628 /nfs/dbraw/zinc/19/36/28/473193628.db2.gz JLOAHKKXPAGEFH-MRXNPFEDSA-N 1 0 345.443 2.845 50 0 EFAARO Cc1noc(C)c1CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095374090 473193654 /nfs/dbraw/zinc/19/36/54/473193654.db2.gz JLOAHKKXPAGEFH-INIZCTEOSA-N 1 0 345.443 2.845 50 0 EFAARO Cc1nc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)sc1C ZINC000095379421 473193665 /nfs/dbraw/zinc/19/36/65/473193665.db2.gz ZBUQGUYVGUTOMG-CQSZACIVSA-N 1 0 333.457 2.881 50 0 EFAARO Nc1cc(N2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)ncn1 ZINC000095373829 473193711 /nfs/dbraw/zinc/19/37/11/473193711.db2.gz BGXOEOWHDVQKFN-FQEVSTJZSA-N 1 0 337.471 2.941 50 0 EFAARO O=C(Cc1ccccc1O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095382216 473193778 /nfs/dbraw/zinc/19/37/78/473193778.db2.gz BCGCCVPAURAQEE-SJLPKXTDSA-N 1 0 328.456 2.658 50 0 EFAARO CC(C)c1cc(NCCc2csc(-c3ncccn3)n2)nc(N)[nH+]1 ZINC000095384182 473194199 /nfs/dbraw/zinc/19/41/99/473194199.db2.gz HGICXGNZGHNEBJ-UHFFFAOYSA-N 1 0 341.444 2.750 50 0 EFAARO Cn1cccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095390918 473194505 /nfs/dbraw/zinc/19/45/05/473194505.db2.gz GEQNLOMEBYBJFJ-FUHWJXTLSA-N 1 0 341.430 2.901 50 0 EFAARO COc1ccc(-c2cn([C@H]3CC[N@H+](Cc4ccccc4)C3)nn2)cn1 ZINC000095384815 473194785 /nfs/dbraw/zinc/19/47/85/473194785.db2.gz HFUPIWGOXNOERY-KRWDZBQOSA-N 1 0 335.411 2.796 50 0 EFAARO Cc1cc(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)on1 ZINC000095383226 473194839 /nfs/dbraw/zinc/19/48/39/473194839.db2.gz VEDCUHQABJBCOU-QZTJIDSGSA-N 1 0 339.439 2.649 50 0 EFAARO O=C(Cc1ccc2c(c1)OCC2)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613662 473566142 /nfs/dbraw/zinc/56/61/42/473566142.db2.gz YTQCPXRATSNDFS-MSOLQXFVSA-N 1 0 328.456 2.545 50 0 EFAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCO[C@@H](C)C1 ZINC000170768909 473608684 /nfs/dbraw/zinc/60/86/84/473608684.db2.gz HPIZWJNHTFLOSJ-LBPRGKRZSA-N 1 0 326.824 2.788 50 0 EFAARO O=C(NCc1cc2ccccc2[nH]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264501200 474014847 /nfs/dbraw/zinc/01/48/47/474014847.db2.gz RKKLIXURJYCPNX-QGZVFWFLSA-N 1 0 326.444 2.938 50 0 EFAARO Cc1cc(C)n(CCCC(=O)N2CCCC[C@H]2CCn2ccnc2)n1 ZINC000219736562 474147457 /nfs/dbraw/zinc/14/74/57/474147457.db2.gz GMGBLDYNDKPZGB-SFHVURJKSA-N 1 0 343.475 2.948 50 0 EFAARO CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cccc(-c2cccc(F)c2)c1 ZINC000219968549 474150938 /nfs/dbraw/zinc/15/09/38/474150938.db2.gz VWAUOZJNJHNFPE-ROUUACIJSA-N 1 0 328.387 2.552 50 0 EFAARO CSc1nc(C(=O)N2CCN(c3cc[nH+]c(C)c3)CC2)cs1 ZINC000219980018 474150978 /nfs/dbraw/zinc/15/09/78/474150978.db2.gz OMOIJGYVORWVSN-UHFFFAOYSA-N 1 0 334.470 2.531 50 0 EFAARO COC[C@@H]1[C@@H]([NH2+]C2CCN(c3ccc(F)cc3C)CC2)[C@@H]2CCO[C@H]12 ZINC000220186142 474152789 /nfs/dbraw/zinc/15/27/89/474152789.db2.gz MDJWSHPKXDEWEE-HNJRGHQBSA-N 1 0 348.462 2.742 50 0 EFAARO CC[N@@H+]1C[C@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)[C@@H](OC)C1 ZINC000220247541 474153871 /nfs/dbraw/zinc/15/38/71/474153871.db2.gz LZNCVRDIYBKLKE-PMACEKPBSA-N 1 0 338.451 2.731 50 0 EFAARO Cc1ncn(CCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)c1C ZINC000221237195 474159851 /nfs/dbraw/zinc/15/98/51/474159851.db2.gz UMICMKLXFHYTKG-UHFFFAOYSA-N 1 0 344.459 2.755 50 0 EFAARO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2ncccc2c1 ZINC000222811667 474174638 /nfs/dbraw/zinc/17/46/38/474174638.db2.gz JFIRXWJPABCCCT-SFHVURJKSA-N 1 0 339.439 2.608 50 0 EFAARO CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)CCc1ccc(-c2ccc(C)cc2)o1 ZINC000223247098 474181636 /nfs/dbraw/zinc/18/16/36/474181636.db2.gz KJNBASXWNAUGRG-HKUYNNGSSA-N 1 0 342.439 2.633 50 0 EFAARO Cc1c[nH+]ccc1NCCNC(=O)CCC(=O)c1ccc(F)cc1 ZINC000223304402 474182850 /nfs/dbraw/zinc/18/28/50/474182850.db2.gz BZYOSHQHVJFUSO-UHFFFAOYSA-N 1 0 329.375 2.720 50 0 EFAARO Cc1nc2ccsc2c(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCC2)n1 ZINC000223691113 474188839 /nfs/dbraw/zinc/18/88/39/474188839.db2.gz HRDXRIXPSYUMLS-FAAHXZRKSA-N 1 0 330.457 2.663 50 0 EFAARO Cc1cccc(-n2cc(CNc3cc(C4CC([NH3+])C4)ncn3)cn2)c1 ZINC000223943616 474194170 /nfs/dbraw/zinc/19/41/70/474194170.db2.gz WRSWXMUMDUHGHN-UHFFFAOYSA-N 1 0 334.427 2.788 50 0 EFAARO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)c(F)c1 ZINC000225568134 474226060 /nfs/dbraw/zinc/22/60/60/474226060.db2.gz YOUZJVNTJJHOLQ-AWEZNQCLSA-N 1 0 340.439 2.912 50 0 EFAARO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000229219591 474251051 /nfs/dbraw/zinc/25/10/51/474251051.db2.gz RVHOPFXMQIKDGG-SJORKVTESA-N 1 0 329.444 2.646 50 0 EFAARO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229220447 474251085 /nfs/dbraw/zinc/25/10/85/474251085.db2.gz UAGPPCIGYYEKJB-UONOGXRCSA-N 1 0 344.484 2.624 50 0 EFAARO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000229219605 474251529 /nfs/dbraw/zinc/25/15/29/474251529.db2.gz RVHOPFXMQIKDGG-IAGOWNOFSA-N 1 0 329.444 2.646 50 0 EFAARO O=C(NCCc1ccc(O)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265741970 474317785 /nfs/dbraw/zinc/31/77/85/474317785.db2.gz NGKYJCVKWQAFBI-UHFFFAOYSA-N 1 0 331.460 2.595 50 0 EFAARO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000237916665 474503051 /nfs/dbraw/zinc/50/30/51/474503051.db2.gz HANGKDDRQIURQW-HXUWFJFHSA-N 1 0 335.451 2.833 50 0 EFAARO O=C(CCCn1ccnc1)NC[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000240163546 474547521 /nfs/dbraw/zinc/54/75/21/474547521.db2.gz JBVGOUSEIDMZAJ-OAHLLOKOSA-N 1 0 346.862 2.959 50 0 EFAARO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CC1(CO)CCCC1 ZINC000240662472 474551661 /nfs/dbraw/zinc/55/16/61/474551661.db2.gz PLKKIZARAVFKPO-QGZVFWFLSA-N 1 0 334.460 2.897 50 0 EFAARO CC[C@H](C(=O)N(CC)CCc1nc2cc(F)ccc2[nH]1)[NH+]1CCCC1 ZINC000240824918 474552124 /nfs/dbraw/zinc/55/21/24/474552124.db2.gz QMBNVRUHORRHPQ-QGZVFWFLSA-N 1 0 346.450 2.967 50 0 EFAARO C[N@H+](CCC(=O)Nc1cc(F)ccc1F)Cc1[nH]nc2c1CCC2 ZINC000244899637 474568784 /nfs/dbraw/zinc/56/87/84/474568784.db2.gz ZNEHDENVZYCPHS-UHFFFAOYSA-N 1 0 334.370 2.637 50 0 EFAARO O=C(CC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)Nc1nccs1 ZINC000244899287 474568878 /nfs/dbraw/zinc/56/88/78/474568878.db2.gz ZGVPVSYOEPFHJX-UHFFFAOYSA-N 1 0 349.431 2.594 50 0 EFAARO Cc1[nH]c2ccccc2c(=O)c1CCC(=O)NCC[C@@H]1CCC[N@H+]1C ZINC000252480457 474665657 /nfs/dbraw/zinc/66/56/57/474665657.db2.gz CAOBCKSFEAIWOT-HNNXBMFYSA-N 1 0 341.455 2.782 50 0 EFAARO Cc1ccccc1[C@]1(O)CC[N@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000252483579 474669601 /nfs/dbraw/zinc/66/96/01/474669601.db2.gz FFLZWMIBRPKOOQ-IBGZPJMESA-N 1 0 336.395 2.534 50 0 EFAARO Cc1n[nH]c(C)c1CC[N@@H+](C)CCC(=O)N(C)Cc1ccccc1 ZINC000252500743 474682759 /nfs/dbraw/zinc/68/27/59/474682759.db2.gz TUVVFILDMWVDBJ-UHFFFAOYSA-N 1 0 328.460 2.550 50 0 EFAARO COc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)c(OC)c1 ZINC000252504267 474682904 /nfs/dbraw/zinc/68/29/04/474682904.db2.gz VJAQSDPOKFUQHS-HNNXBMFYSA-N 1 0 346.471 2.627 50 0 EFAARO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCn2cccn2)cc1 ZINC000252503670 474683464 /nfs/dbraw/zinc/68/34/64/474683464.db2.gz VFLFXEHHPJQOGQ-QGZVFWFLSA-N 1 0 342.443 2.775 50 0 EFAARO COc1ccccc1CNC(=O)CC[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000252502431 474683670 /nfs/dbraw/zinc/68/36/70/474683670.db2.gz UQGOKURVUYJYBB-QGZVFWFLSA-N 1 0 343.427 2.835 50 0 EFAARO COC[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000252501285 474683810 /nfs/dbraw/zinc/68/38/10/474683810.db2.gz UDLWWOGGUZKUBV-LBPRGKRZSA-N 1 0 326.824 2.646 50 0 EFAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2cc(C(N)=O)oc2C(C)(C)C)C1 ZINC000252506620 474686124 /nfs/dbraw/zinc/68/61/24/474686124.db2.gz WBRPTIYOAVBWNG-ZDUSSCGKSA-N 1 0 333.476 2.735 50 0 EFAARO Cc1cccc(-c2ccccc2C(=O)N2CCN3CC[N@@H+](C)C[C@H]3C2)c1 ZINC000252572256 474698163 /nfs/dbraw/zinc/69/81/63/474698163.db2.gz ZBGVUUOXWCJXCA-IBGZPJMESA-N 1 0 349.478 2.734 50 0 EFAARO CC(C)n1c2ccccc2n(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1=O ZINC000252666018 474705118 /nfs/dbraw/zinc/70/51/18/474705118.db2.gz AFOFVIBWSLOHFR-QKDCVEJESA-N 1 0 342.443 2.567 50 0 in-vitro EFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1ccc2c(c1)CCO2 ZINC000253414322 474740753 /nfs/dbraw/zinc/74/07/53/474740753.db2.gz XCMVOKYTEBVISI-RBUKOAKNSA-N 1 0 342.483 2.887 50 0 biogenic EFAARO Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333572716 475970477 /nfs/dbraw/zinc/97/04/77/475970477.db2.gz MRIYAWVLSMONOV-FQEVSTJZSA-N 1 0 340.471 2.804 50 0 EFAARO CN(CC[NH+](C)C)C(=O)Nc1ccc(CCc2ccccn2)cc1 ZINC000299773749 476153259 /nfs/dbraw/zinc/15/32/59/476153259.db2.gz FPTBOOCLRWPCNN-UHFFFAOYSA-N 1 0 326.444 2.892 50 0 EFAARO COc1cccc(C(=O)N[C@H](C)c2cccc(C)n2)c1OCCC[NH3+] ZINC000299783878 476154386 /nfs/dbraw/zinc/15/43/86/476154386.db2.gz ZPQMRFHLJGVKRC-CQSZACIVSA-N 1 0 343.427 2.617 50 0 EFAARO CN1CC[NH+](C[C@H]2CCCN(Cc3sccc3Cl)C2)CC1 ZINC000374814503 476540698 /nfs/dbraw/zinc/54/06/98/476540698.db2.gz MEHCGLCEHGJZIM-CQSZACIVSA-N 1 0 327.925 2.861 50 0 EFAARO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000376151295 477200602 /nfs/dbraw/zinc/20/06/02/477200602.db2.gz QCRYZTLZAIQVAZ-SFHVURJKSA-N 1 0 330.476 2.530 50 0 EFAARO Cc1oc(-c2ccccc2Cl)cc1C(=O)N[C@@H]1C[C@@H](CO)[N@H+](C)C1 ZINC000426414802 477708839 /nfs/dbraw/zinc/70/88/39/477708839.db2.gz VBIYYJSRTSMEPJ-OLZOCXBDSA-N 1 0 348.830 2.703 50 0 EFAARO Cc1nc(CNC(=O)c2cccc(C[NH+]3CCCCCC3)c2)no1 ZINC000426442721 477709778 /nfs/dbraw/zinc/70/97/78/477709778.db2.gz VEXSKFIQKUDLOP-UHFFFAOYSA-N 1 0 328.416 2.684 50 0 EFAARO Cc1ccc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1C ZINC000426535950 477717643 /nfs/dbraw/zinc/71/76/43/477717643.db2.gz UUTKTJYCYXHUJC-SFHVURJKSA-N 1 0 333.476 2.556 50 0 EFAARO [NH3+]CC[C@@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)CCO1 ZINC000426552035 477719573 /nfs/dbraw/zinc/71/95/73/477719573.db2.gz PNMVWIUERIPTDD-OAQYLSRUSA-N 1 0 340.467 2.858 50 0 EFAARO [NH3+]CC[C@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)CCO1 ZINC000426552034 477719939 /nfs/dbraw/zinc/71/99/39/477719939.db2.gz PNMVWIUERIPTDD-NRFANRHFSA-N 1 0 340.467 2.858 50 0 EFAARO CCC[N@@H+]1CCC[C@@H](CNC(=O)N2CC(Oc3cccc(C)c3)C2)C1 ZINC000426550062 477720508 /nfs/dbraw/zinc/72/05/08/477720508.db2.gz PMIQUMBIKDTWJJ-KRWDZBQOSA-N 1 0 345.487 2.890 50 0 EFAARO COc1ccc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000426593911 477722940 /nfs/dbraw/zinc/72/29/40/477722940.db2.gz YRYCGCPEARBJGR-QGZVFWFLSA-N 1 0 331.460 2.855 50 0 EFAARO COc1cccc([C@H]2CCN2C(=O)Cc2cccc(OCC[NH3+])c2)c1 ZINC000426597223 477724544 /nfs/dbraw/zinc/72/45/44/477724544.db2.gz LVXZJGUHAPAZAB-LJQANCHMSA-N 1 0 340.423 2.549 50 0 EFAARO C[N@@H+]1CCCN(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000426628742 477729283 /nfs/dbraw/zinc/72/92/83/477729283.db2.gz IXNMGKBVBKMBEM-GOSISDBHSA-N 1 0 342.418 2.657 50 0 EFAARO Cn1c(SCc2noc(C3CCCC3)n2)nnc1C1CC[NH2+]CC1 ZINC000426640576 477731336 /nfs/dbraw/zinc/73/13/36/477731336.db2.gz WAIIXDRAWYALAI-UHFFFAOYSA-N 1 0 348.476 2.615 50 0 EFAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCCO1 ZINC000426649402 477732789 /nfs/dbraw/zinc/73/27/89/477732789.db2.gz AOILNCOGCJEKSQ-OAHLLOKOSA-N 1 0 339.505 2.699 50 0 EFAARO O=C(NCC[C@@H](c1ccco1)c1ccc(F)cc1)NC1CC[NH2+]CC1 ZINC000426677859 477736738 /nfs/dbraw/zinc/73/67/38/477736738.db2.gz FBDQGRUWBDPSNK-QGZVFWFLSA-N 1 0 345.418 2.992 50 0 EFAARO Cc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2OCC[NH3+])cn1 ZINC000426712293 477742051 /nfs/dbraw/zinc/74/20/51/477742051.db2.gz YZRHBADDJAWBPD-LBPRGKRZSA-N 1 0 333.819 2.872 50 0 EFAARO Cc1nc([C@H]2CCOC2)cc(N(CC[NH+](C)C)Cc2ccccc2)n1 ZINC000426712845 477742316 /nfs/dbraw/zinc/74/23/16/477742316.db2.gz XEBFBJCHUQFZID-SFHVURJKSA-N 1 0 340.471 2.857 50 0 EFAARO Cc1cc(CN(C)C(=O)NC[C@@H](c2sccc2C)[NH+](C)C)on1 ZINC000534581059 478159146 /nfs/dbraw/zinc/15/91/46/478159146.db2.gz UNLTWRPGIQOGMZ-AWEZNQCLSA-N 1 0 336.461 2.797 50 0 EFAARO CCCC[NH+]1CCC(CNC(=O)N2Cc3ccccc3[C@@H](O)C2)CC1 ZINC000534583460 478160130 /nfs/dbraw/zinc/16/01/30/478160130.db2.gz FUSUOYZWCKAJTF-IBGZPJMESA-N 1 0 345.487 2.757 50 0 EFAARO CN(CC[C@H](O)c1ccccc1)C(=O)NCC1(C[NH+]2CCCC2)CC1 ZINC000534588387 478160637 /nfs/dbraw/zinc/16/06/37/478160637.db2.gz UISOAXGCTRZBIM-SFHVURJKSA-N 1 0 345.487 2.628 50 0 EFAARO CCCn1ncnc1-c1cccc(C(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000534587338 478160713 /nfs/dbraw/zinc/16/07/13/478160713.db2.gz OKAWWWFWLVNSCX-UHFFFAOYSA-N 1 0 341.459 2.521 50 0 EFAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2nnc3ccccn32)cc1 ZINC000534633561 478163393 /nfs/dbraw/zinc/16/33/93/478163393.db2.gz HFVXIMMCSOFWAK-QGZVFWFLSA-N 1 0 349.438 2.610 50 0 EFAARO COc1cccc(N2CCC([NH2+][C@H](c3ncnn3C)C(C)C)CC2)c1 ZINC000534636291 478163632 /nfs/dbraw/zinc/16/36/32/478163632.db2.gz NUNGNISFWCTCKO-SFHVURJKSA-N 1 0 343.475 2.779 50 0 EFAARO Cc1cc(C)n(-c2cccc(CN(C)C(=O)NC[C@H](C)[NH+](C)C)c2)n1 ZINC000534631037 478163729 /nfs/dbraw/zinc/16/37/29/478163729.db2.gz IZKDUSFACOPLIT-INIZCTEOSA-N 1 0 343.475 2.581 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cn(C)nc2C)cc1 ZINC000534639348 478164559 /nfs/dbraw/zinc/16/45/59/478164559.db2.gz LBOFAMLPHPJGIW-KRWDZBQOSA-N 1 0 326.444 2.610 50 0 EFAARO O=C(NCc1cc(C2CC2)on1)N1CC[NH+](C2CCCCC2)CC1 ZINC000534644705 478165730 /nfs/dbraw/zinc/16/57/30/478165730.db2.gz OGDKDQFBBVBBCM-UHFFFAOYSA-N 1 0 332.448 2.712 50 0 EFAARO CN(C(=O)NCCc1ccc(Cl)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000534658918 478166752 /nfs/dbraw/zinc/16/67/52/478166752.db2.gz HZTHSHVINDBSQH-ZDUSSCGKSA-N 1 0 330.259 2.881 50 0 EFAARO COc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)c2cccnc12 ZINC000534661953 478167069 /nfs/dbraw/zinc/16/70/69/478167069.db2.gz AUXJESPLZLESBV-HIFRSBDPSA-N 1 0 327.428 2.719 50 0 EFAARO CC(C)n1ccnc1C[NH2+][C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000534658784 478167209 /nfs/dbraw/zinc/16/72/09/478167209.db2.gz PETPFZXCDMTKBP-KRWDZBQOSA-N 1 0 326.444 2.745 50 0 EFAARO CN(CC[NH+]1CCCCCC1)C(=O)NCCN(C)c1ccccc1 ZINC000534663458 478167316 /nfs/dbraw/zinc/16/73/16/478167316.db2.gz WFXRUTIATMQOCA-UHFFFAOYSA-N 1 0 332.492 2.640 50 0 EFAARO c1sc(-c2cnccn2)nc1CC[NH2+]C1CSCCSC1 ZINC000534666981 478168405 /nfs/dbraw/zinc/16/84/05/478168405.db2.gz OFOOCERBPIOALC-UHFFFAOYSA-N 1 0 338.527 2.581 50 0 EFAARO c1ccc(N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000534673453 478169010 /nfs/dbraw/zinc/16/90/10/478169010.db2.gz LDIFWNWYDYCCEX-UHFFFAOYSA-N 1 0 334.427 2.625 50 0 EFAARO Cc1nccc(C2CCN(C(=O)NCC[C@H](C)[NH+]3CCCC3)CC2)n1 ZINC000584886340 479270707 /nfs/dbraw/zinc/27/07/07/479270707.db2.gz SVSYYXBRNDLDGW-HNNXBMFYSA-N 1 0 345.491 2.548 50 0 EFAARO Cc1c[nH]c(CN(C)C(=O)NC[C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000584886740 479271233 /nfs/dbraw/zinc/27/12/33/479271233.db2.gz BCBMFBQIPYGJET-INIZCTEOSA-N 1 0 347.507 2.904 50 0 EFAARO C[C@H](CCC(=O)N1CCC2(C1)CCCCCC2)[NH+]1CCN(C)CC1 ZINC000584885849 479271323 /nfs/dbraw/zinc/27/13/23/479271323.db2.gz SPFDBBOJELBAKE-GOSISDBHSA-N 1 0 335.536 2.975 50 0 EFAARO COc1cccc(CCCNC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000584891112 479272286 /nfs/dbraw/zinc/27/22/86/479272286.db2.gz DWKFRXCAZIJQDO-QGZVFWFLSA-N 1 0 333.476 2.754 50 0 EFAARO CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1[nH]nc2c1CCCCC2 ZINC000584898327 479274972 /nfs/dbraw/zinc/27/49/72/479274972.db2.gz SKLLYVNHXJBMKB-OAHLLOKOSA-N 1 0 347.507 2.693 50 0 EFAARO Cc1cc(C)nc(C[N@@H+](C)[C@H](C)Cn2cnc3ccccc3c2=O)c1 ZINC000584900655 479277328 /nfs/dbraw/zinc/27/73/28/479277328.db2.gz ZMCVGKGDOHFVOZ-MRXNPFEDSA-N 1 0 336.439 2.929 50 0 EFAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)N(C)Cc2cnc3ccccc3c2)C1 ZINC000584900468 479277390 /nfs/dbraw/zinc/27/73/90/479277390.db2.gz NFFNDNNLRIORKF-GOSISDBHSA-N 1 0 341.455 2.693 50 0 EFAARO CC[NH+]1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000070923534 521676745 /nfs/dbraw/zinc/67/67/45/521676745.db2.gz AZBPDGJMPOXCLY-UHFFFAOYSA-N 1 0 348.447 2.525 50 0 EFAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ncc(F)cc1F ZINC000191882282 534660371 /nfs/dbraw/zinc/66/03/71/534660371.db2.gz QDLLZRAUPTTWGR-UHFFFAOYSA-N 1 0 331.366 2.886 50 0 EFAARO c1ccc2c(c1)CC([NH+]1CCN(c3cccc4c3OCCO4)CC1)C2 ZINC000000016050 526501562 /nfs/dbraw/zinc/50/15/62/526501562.db2.gz QJPPEMXOOWNICQ-UHFFFAOYSA-N 1 0 336.435 2.747 50 0 in-vitro EFAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2[nH]nc3c2CCC3)n1 ZINC000244678990 527084150 /nfs/dbraw/zinc/08/41/50/527084150.db2.gz INMSZRPQXQUPEU-SUMWQHHRSA-N 1 0 326.448 2.961 50 0 EFAARO CC(C)CN(Cc1ccccn1)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000426563202 535060555 /nfs/dbraw/zinc/06/05/55/535060555.db2.gz GTDIQWPHJYHWIF-QGZVFWFLSA-N 1 0 332.492 2.980 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)CC1 ZINC000244734952 535350948 /nfs/dbraw/zinc/35/09/48/535350948.db2.gz NONLKMTWJPEUDQ-QKLQHJQFSA-N 1 0 345.487 2.522 50 0 EFAARO CCn1c(CN2CCc3c(Cl)cccc3C2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252523316 535984697 /nfs/dbraw/zinc/98/46/97/535984697.db2.gz CHZPUVZVZBVTHP-OKILXGFUSA-N 1 0 345.878 2.714 50 0 EFAARO CCn1ccnc1C[NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000216710255 536110985 /nfs/dbraw/zinc/11/09/85/536110985.db2.gz AZUFNNXQZLRMQF-AWEZNQCLSA-N 1 0 334.464 2.782 50 0 EFAARO C[N@H+](CCC(=O)Nc1cccnc1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000244700885 536308019 /nfs/dbraw/zinc/30/80/19/536308019.db2.gz JVSYCUJPDMBVON-KRWDZBQOSA-N 1 0 338.455 2.869 50 0 EFAARO COc1cccc2c1OCCC[N@H+](CCC(=O)Nc1cccnc1)C2 ZINC000244695636 536960584 /nfs/dbraw/zinc/96/05/84/536960584.db2.gz JPRMVXUETHSJLK-UHFFFAOYSA-N 1 0 341.411 2.704 50 0 EFAARO CC(=O)c1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)s1 ZINC000349045701 545995669 /nfs/dbraw/zinc/99/56/69/545995669.db2.gz FMVHTEHJQQVYMU-GJZGRUSLSA-N 1 0 346.427 2.965 50 0 EFAARO CC[C@@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000670420463 547487329 /nfs/dbraw/zinc/48/73/29/547487329.db2.gz XGIXKIBVSLNQDP-SFHVURJKSA-N 1 0 327.424 2.806 50 0 EFAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCCc1ccc(Cl)cc1 ZINC000670455815 547493259 /nfs/dbraw/zinc/49/32/59/547493259.db2.gz WXKWTCLBCPOXOE-FVQHAEBGSA-N 1 0 336.863 2.641 50 0 EFAARO O=C(C[NH+]1CCCCCC1)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000670460133 547494023 /nfs/dbraw/zinc/49/40/23/547494023.db2.gz KGUNIMKMMIZZCY-SFHVURJKSA-N 1 0 326.444 2.617 50 0 EFAARO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1ccc(Cl)cc1F ZINC000670472284 547496046 /nfs/dbraw/zinc/49/60/46/547496046.db2.gz BOQAAZPGQZPGAE-AWEZNQCLSA-N 1 0 348.871 2.773 50 0 EFAARO Cc1noc([C@]23CCC[C@H]2C[N@@H+](Cc2c(C4CC4)cnn2C)C3)n1 ZINC000685940478 550196779 /nfs/dbraw/zinc/19/67/79/550196779.db2.gz BQPYEFPHIGPZSZ-KSSFIOAISA-N 1 0 327.432 2.543 50 0 EFAARO CCn1nccc1[C@@H]1OCCC[C@H]1C[NH+]1CC(C)(C)NC(C)(C)C1 ZINC000685943476 550197348 /nfs/dbraw/zinc/19/73/48/550197348.db2.gz QQPARVDWLRNLLG-DOTOQJQBSA-N 1 0 334.508 2.833 50 0 EFAARO CC(C)[N@H+](C)CC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000230589150 564129616 /nfs/dbraw/zinc/12/96/16/564129616.db2.gz GYMRBIOKJGYCMZ-LAGYLCCXSA-N 1 0 341.455 2.503 50 0 EFAARO COCCN(Cc1ccc(C)cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000584884369 564131444 /nfs/dbraw/zinc/13/14/44/564131444.db2.gz KAKLQVHQWDRWGJ-GOSISDBHSA-N 1 0 347.503 2.885 50 0 EFAARO OC1CC[NH+](CCOc2ccc(Br)cc2Cl)CC1 ZINC000230555290 564133483 /nfs/dbraw/zinc/13/34/83/564133483.db2.gz YSSSNYGCQTYKQJ-UHFFFAOYSA-N 1 0 334.641 2.938 50 0 EFAARO CN(Cc1nc2cc(Cl)ccc2[nH]1)c1nnc(CCCC[NH3+])o1 ZINC001772702647 1249285263 /nfs/dbraw/zinc/28/52/63/1249285263.db2.gz IBUYRXNLWVQJJE-UHFFFAOYSA-N 1 0 334.811 2.517 50 0 EFAARO CO[C@@H]1CCC[C@]12CCC[N@H+](CC(=O)NCc1ccccc1C)C2 ZINC001772703562 1249286295 /nfs/dbraw/zinc/28/62/95/1249286295.db2.gz MNYKURLYMQECGI-UYAOXDASSA-N 1 0 330.472 2.892 50 0 EFAARO CN(C)Cc1nnc(NCCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC001772707416 1249293548 /nfs/dbraw/zinc/29/35/48/1249293548.db2.gz SKLQNBYFNMVPCU-UHFFFAOYSA-N 1 0 343.475 2.845 50 0 EFAARO Cc1cccc(N2CCC([N@@H+]3C[C@@H]4COCC[C@]4(CO)C3)CC2)c1C ZINC001772708555 1249295934 /nfs/dbraw/zinc/29/59/34/1249295934.db2.gz DWBRTIUVOUWKQH-WIYYLYMNSA-N 1 0 344.499 2.603 50 0 EFAARO Cn1ccc(C2CC[NH+](CCOc3ccc(F)cc3)CC2)cc1=O ZINC001772710960 1249299319 /nfs/dbraw/zinc/29/93/19/1249299319.db2.gz XNIYDWQVNLSPEO-UHFFFAOYSA-N 1 0 330.403 2.783 50 0 EFAARO Cc1ccc2c(C(=O)N(CC[NH+](C)C)C3CCCCC3)cnn2c1 ZINC001772711437 1249299817 /nfs/dbraw/zinc/29/98/17/1249299817.db2.gz UFOQGRFSPDVCAP-UHFFFAOYSA-N 1 0 328.460 2.979 50 0 EFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccsc3)CC2)C1 ZINC000012707262 1265428664 /nfs/dbraw/zinc/42/86/64/1265428664.db2.gz NAFUPKBZYCMKES-INIZCTEOSA-N 1 0 347.528 2.703 50 0 EFAARO Cn1c(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2)cc2ccccc21 ZINC000012304780 1265840356 /nfs/dbraw/zinc/84/03/56/1265840356.db2.gz LVKPNAUJRWAMKG-GOSISDBHSA-N 1 0 348.450 2.968 50 0 EFAARO COc1ccc2[nH]c([C@@H]3C[C@H]4CN(C)C(=O)[C@]45CCC[N@H+]35)c(C)c2c1 ZINC000011662226 1262929035 /nfs/dbraw/zinc/92/90/35/1262929035.db2.gz ZRVGRERLIIOXLG-ROOHIHILSA-N 1 0 339.439 2.853 50 0 EFAARO CCn1nc(C)c(C[NH+]2CCC(CCC(=O)NC3CC3)CC2)c1C ZINC000011662638 1262929466 /nfs/dbraw/zinc/92/94/66/1262929466.db2.gz VVTPLZYFGSMGTB-UHFFFAOYSA-N 1 0 332.492 2.791 50 0 EFAARO O=C(N[C@@H]1CC[N@H+](Cc2ccsc2)C1)[C@H]1CCc2ccccc2O1 ZINC000618256211 1263288265 /nfs/dbraw/zinc/28/82/65/1263288265.db2.gz FHHWORCDPZIMMK-SJLPKXTDSA-N 1 0 342.464 2.832 50 0 EFAARO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2=O)c1 ZINC000011838260 1264094862 /nfs/dbraw/zinc/09/48/62/1264094862.db2.gz XYZPVXNVOLZHFG-OAQYLSRUSA-N 1 0 342.483 2.989 50 0 EFAARO c1coc(CN2CCOC3(CC[NH+](C[C@H]4CCCCO4)CC3)C2)c1 ZINC000820408744 1264769813 /nfs/dbraw/zinc/76/98/13/1264769813.db2.gz XOQHNTGUHVMBHT-QGZVFWFLSA-N 1 0 334.460 2.516 50 0 EFAARO CC(C)CNC(=O)c1cccc(NC(=O)C2(C)CC[NH+](C)CC2)c1 ZINC000821319149 1264936411 /nfs/dbraw/zinc/93/64/11/1264936411.db2.gz FPZDRCAXCOUTPQ-UHFFFAOYSA-N 1 0 331.460 2.743 50 0 EFAARO CC[C@H](C)Oc1ccccc1C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000822645476 1265109950 /nfs/dbraw/zinc/10/99/50/1265109950.db2.gz NTNWYZQGGUCNSU-ZDUSSCGKSA-N 1 0 329.448 2.944 50 0 EFAARO CCCCn1nc(Cc2cccc(Cl)c2)nc1[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000822888739 1265175073 /nfs/dbraw/zinc/17/50/73/1265175073.db2.gz IQEGGKQUYPPERJ-CABCVRRESA-N 1 0 334.851 2.718 50 0 EFAARO CCCn1cnnc1C[NH2+]C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000823031355 1265216110 /nfs/dbraw/zinc/21/61/10/1265216110.db2.gz WUPQIBUMIXABSF-UHFFFAOYSA-N 1 0 335.402 2.725 50 0 EFAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3ccc(CO)o3)C2)c1 ZINC000012612609 1265340876 /nfs/dbraw/zinc/34/08/76/1265340876.db2.gz YCJNLUSZLGMRDW-HXUWFJFHSA-N 1 0 345.439 2.598 50 0 EFAARO CCn1ccc(C(=O)Nc2ccccc2C[NH+]2CCCC2)cc1=O ZINC000823587814 1265384342 /nfs/dbraw/zinc/38/43/42/1265384342.db2.gz GUAVWBXGWIIGHF-UHFFFAOYSA-N 1 0 325.412 2.716 50 0 EFAARO COCC1(C[NH2+][C@H]2CCC(=O)N(Cc3ccccc3)CC2)CCC1 ZINC000824346800 1266873409 /nfs/dbraw/zinc/87/34/09/1266873409.db2.gz FGGGFNMCCCQBCA-SFHVURJKSA-N 1 0 330.472 2.974 50 0 EFAARO Cc1c2ccc(C)c(C)c2oc1C(=O)NCC[N@@H+]1CCC[C@@H](O)C1 ZINC000012373148 1267288657 /nfs/dbraw/zinc/28/86/57/1267288657.db2.gz APXZOCUGSISNJL-OAHLLOKOSA-N 1 0 330.428 2.545 50 0 EFAARO Cc1noc(C)c1CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000827846868 1267502246 /nfs/dbraw/zinc/50/22/46/1267502246.db2.gz DLLQJLBHRUGRIN-HNNXBMFYSA-N 1 0 347.484 2.924 50 0 EFAARO CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(CCn2cccn2)CC1 ZINC000827910252 1267509629 /nfs/dbraw/zinc/50/96/29/1267509629.db2.gz KUUQYKMKWXBHKI-GOSISDBHSA-N 1 0 347.507 2.568 50 0 EFAARO Cc1c[nH+]ccc1NCCNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000828158052 1267621640 /nfs/dbraw/zinc/62/16/40/1267621640.db2.gz YFNDKUDYLOINQE-UHFFFAOYSA-N 1 0 338.455 2.644 50 0 EFAARO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCCC2)c(=O)n1C ZINC000828161340 1267622169 /nfs/dbraw/zinc/62/21/69/1267622169.db2.gz NURSLPGNHMNHIU-UHFFFAOYSA-N 1 0 325.412 2.542 50 0 EFAARO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccn(C(F)F)n1 ZINC000828190234 1267644459 /nfs/dbraw/zinc/64/44/59/1267644459.db2.gz PGYVMPYYRPNVFF-NSHDSACASA-N 1 0 340.399 2.734 50 0 EFAARO Cc1cc(C(=O)NCC2CC[NH+](C[C@H]3CC=CCC3)CC2)nn1C ZINC000828219013 1267661615 /nfs/dbraw/zinc/66/16/15/1267661615.db2.gz DOYRGHDJLGMDLY-KRWDZBQOSA-N 1 0 330.476 2.527 50 0 EFAARO Cc1cc(C(=O)N2CCC([C@H]3CC[N@H+](CC(C)(C)C)C3)CC2)[nH]n1 ZINC000012445241 1268432176 /nfs/dbraw/zinc/43/21/76/1268432176.db2.gz GKOTZKULKHCRTL-INIZCTEOSA-N 1 0 332.492 2.938 50 0 EFAARO COCCC(=O)N(C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012596917 1276793886 /nfs/dbraw/zinc/79/38/86/1276793886.db2.gz UQSOAHXKQIOTCO-UHFFFAOYSA-N 1 0 336.451 2.575 50 0 EFAARO O=C(CC[NH+]1Cc2ccccc2C1)N1CCC[C@](CO)(CC2CC2)C1 ZINC000219558733 1277032526 /nfs/dbraw/zinc/03/25/26/1277032526.db2.gz RMBOVPULVUQMJN-NRFANRHFSA-N 1 0 342.483 2.794 50 0 EFAARO CC(C)(C)c1ccc(=O)n(CC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000585499131 1281872473 /nfs/dbraw/zinc/87/24/73/1281872473.db2.gz CTBVTIIAXCWMMV-DLBZAZTESA-N 1 0 347.503 2.556 50 0 EFAARO O=C(c1ccc(C[C@@H]2CC[C@H](C[NH+]3CCCC3)O2)nc1)N1CCCC1 ZINC000952853471 1284872004 /nfs/dbraw/zinc/87/20/04/1284872004.db2.gz DCNAXEBTMXNFKQ-RBUKOAKNSA-N 1 0 343.471 2.504 50 0 EFAARO O=c1oc2ccccc2n1CC[NH2+]CCOc1cccc2cccnc21 ZINC000952860088 1284877121 /nfs/dbraw/zinc/87/71/21/1284877121.db2.gz DJRVGDWHWKJLNK-UHFFFAOYSA-N 1 0 349.390 2.811 50 0 EFAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(C)nc(C)n2)cc1 ZINC000952872618 1284897010 /nfs/dbraw/zinc/89/70/10/1284897010.db2.gz ATVCBUCFWSAXLX-UHFFFAOYSA-N 1 0 326.444 2.606 50 0 EFAARO OC[C@H]1CCCN(CC[NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC000952966570 1284915256 /nfs/dbraw/zinc/91/52/56/1284915256.db2.gz XDADUAFVEPFRGX-SFHVURJKSA-N 1 0 325.456 2.543 50 0 EFAARO O=C([C@@H]1CCCc2c3ccccc3[nH]c21)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000952962403 1284919093 /nfs/dbraw/zinc/91/90/93/1284919093.db2.gz BIOFWZJJQKWKDV-VYDRJQSISA-N 1 0 335.451 2.797 50 0 EFAARO OC[C@@H]1CCCN(CC[NH2+]Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000952963894 1284923228 /nfs/dbraw/zinc/92/32/28/1284923228.db2.gz AJQURVGFKLNUJT-CQSZACIVSA-N 1 0 349.475 2.743 50 0 EFAARO COc1ccc(CCN(Cc2ccccc2F)C(=O)[C@@H]2CC[NH2+]2)cc1 ZINC000952965322 1284924256 /nfs/dbraw/zinc/92/42/56/1284924256.db2.gz QBGJSDCKWOUTSO-IBGZPJMESA-N 1 0 342.414 2.768 50 0 EFAARO O=c1[nH]c2ccc(C[NH2+]C3CCN(Cc4ccco4)CC3)cc2[nH]1 ZINC000952965397 1284924727 /nfs/dbraw/zinc/92/47/27/1284924727.db2.gz RNRXGPISMNOSEA-UHFFFAOYSA-N 1 0 326.400 2.616 50 0 EFAARO CC[C@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)n1cccn1 ZINC000952970294 1284936766 /nfs/dbraw/zinc/93/67/66/1284936766.db2.gz RBGLLLWDAJARRG-GOSISDBHSA-N 1 0 342.443 2.946 50 0 EFAARO Cc1c2cc(Cl)ccc2[nH]c1C[NH2+]CCN1CCC[C@H](CO)C1 ZINC000952973856 1284946446 /nfs/dbraw/zinc/94/64/46/1284946446.db2.gz IGKLFBKYTXCVOT-AWEZNQCLSA-N 1 0 335.879 2.924 50 0 EFAARO COCCn1cnnc1[C@H](C)NCc1[nH]c2ccc(F)cc2c1C ZINC000952974973 1284948160 /nfs/dbraw/zinc/94/81/60/1284948160.db2.gz LMLNDJPRRKYOBZ-LBPRGKRZSA-N 1 0 331.395 2.704 50 0 EFAARO OCc1cccc(C[NH2+]Cc2cnc(NCc3ccccc3)nc2)c1 ZINC000952977173 1284951238 /nfs/dbraw/zinc/95/12/38/1284951238.db2.gz PHORQWFJJIMDKF-UHFFFAOYSA-N 1 0 334.423 2.871 50 0 EFAARO Cc1ccc([C@@H](CNC(=O)c2cc(C(C)C)nc(N)n2)[NH+](C)C)cc1 ZINC000952977256 1284951279 /nfs/dbraw/zinc/95/12/79/1284951279.db2.gz XNEFGLIBDVVBNS-QGZVFWFLSA-N 1 0 341.459 2.523 50 0 EFAARO Cc1cc(F)ccc1N1CCC([N@@H+](C)C[C@@H](C)N2CCOCC2)CC1 ZINC000952981606 1284976448 /nfs/dbraw/zinc/97/64/48/1284976448.db2.gz OFWNKPFAQZEBDN-QGZVFWFLSA-N 1 0 349.494 2.755 50 0 EFAARO CCN(CC[NH+]1CCCC1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000952983653 1284981145 /nfs/dbraw/zinc/98/11/45/1284981145.db2.gz UNHWYLZAZBMJTQ-UHFFFAOYSA-N 1 0 330.881 2.588 50 0 EFAARO COCC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)cc1C ZINC000952983506 1284981192 /nfs/dbraw/zinc/98/11/92/1284981192.db2.gz UBQUFNPBLSVUQT-OAHLLOKOSA-N 1 0 347.459 2.639 50 0 EFAARO O=c1[nH]c2cc(Cl)ccc2cc1CNCCC[N@H+]1CCC[C@H](O)C1 ZINC000952984362 1284983032 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C[NH+](C)CCNC(=O)c1ccc(-c2ccccc2)nc1N1CCCC1 ZINC000014985742 1311426920 /nfs/dbraw/zinc/42/69/20/1311426920.db2.gz CUYMDLZVDYGIRZ-UHFFFAOYSA-N 1 0 338.455 2.640 50 0 EFAARO O=C1CC[N@H+](Cc2ccsc2)CCN1CCOc1ccccc1 ZINC000014989607 1311428804 /nfs/dbraw/zinc/42/88/04/1311428804.db2.gz QFSZSWBPOZJDNP-UHFFFAOYSA-N 1 0 330.453 2.861 50 0 EFAARO CCN1CCN(C(=O)CCC2CC[NH+](Cc3ccc(C)o3)CC2)CC1 ZINC000015076769 1311471210 /nfs/dbraw/zinc/47/12/10/1311471210.db2.gz DSBANAHPWPOCBF-UHFFFAOYSA-N 1 0 347.503 2.744 50 0 EFAARO Cc1ccccc1CCC(=O)N[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000020454359 1314669310 /nfs/dbraw/zinc/66/93/10/1314669310.db2.gz IXSRGIJESGILCO-IBGZPJMESA-N 1 0 343.515 2.602 50 0 EFAARO O=C(NCCc1cn2ccccc2n1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020999093 1314755705 /nfs/dbraw/zinc/75/57/05/1314755705.db2.gz IVFOCLONOCNUSQ-AWEZNQCLSA-N 1 0 340.452 2.793 50 0 EFAARO O=C1N(CC2CCC2)CCC[C@]1(O)C[NH2+]Cc1ccc(Cl)s1 ZINC000055327649 1314980727 /nfs/dbraw/zinc/98/07/27/1314980727.db2.gz 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/nfs/dbraw/zinc/90/32/76/1417903276.db2.gz VRCFVSYBLZFBPT-UHFFFAOYSA-N 1 0 348.878 2.895 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)c1ccc(F)c(Cl)c1 ZINC001704315385 1417905859 /nfs/dbraw/zinc/90/58/59/1417905859.db2.gz BMVUCKWPWAIMNK-UHFFFAOYSA-N 1 0 338.814 2.715 50 0 EFAARO CN(C)C(=O)c1ccc(NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)nc1 ZINC001704326039 1417907821 /nfs/dbraw/zinc/90/78/21/1417907821.db2.gz UIDBPBVXJHQMTB-HNNXBMFYSA-N 1 0 330.476 2.850 50 0 EFAARO Cc1nc(CN(CC[NH+](C)C)C(=O)C[C@H]2CCc3ccccc32)c[nH]1 ZINC001704335739 1417910003 /nfs/dbraw/zinc/91/00/03/1417910003.db2.gz DVSIXNBAOZDIEY-QGZVFWFLSA-N 1 0 340.471 2.728 50 0 EFAARO C[N@@H+]1CCC[C@]2(CO)CCN(Cc3ccc(OC(F)F)cc3)C[C@@H]12 ZINC001704337631 1417910463 /nfs/dbraw/zinc/91/04/63/1417910463.db2.gz ALHAGYSCRIFTSQ-SJLPKXTDSA-N 1 0 340.414 2.567 50 0 EFAARO CCc1cc(NC[C@H]2CC[C@H](C(=O)NC)CC2)nc(N2CCCC2)[nH+]1 ZINC001704338803 1417910922 /nfs/dbraw/zinc/91/09/22/1417910922.db2.gz ZTEZMXIQEKLKRA-SHTZXODSSA-N 1 0 345.491 2.604 50 0 EFAARO COc1ccc2c(c1)CCOC21CC[NH+](Cc2cnn(C)c2C)CC1 ZINC001704339883 1417911127 /nfs/dbraw/zinc/91/11/27/1417911127.db2.gz PLIPPYVKWRYTSQ-UHFFFAOYSA-N 1 0 341.455 2.801 50 0 EFAARO Cc1cc(NCc2ccc(C(=O)N(C)C)o2)nc(N2CCCCC2)[nH+]1 ZINC001704338424 1417911409 /nfs/dbraw/zinc/91/14/09/1417911409.db2.gz UPPBKDZTRGFEDA-UHFFFAOYSA-N 1 0 343.431 2.682 50 0 EFAARO Cc1cc(Cl)cc(C)c1OCCOCCN1CC[NH+](C)CC1 ZINC000022029541 713583404 /nfs/dbraw/zinc/58/34/04/713583404.db2.gz NVWORNWHPHGGSJ-UHFFFAOYSA-N 1 0 326.868 2.600 50 0 EFAARO CCOC(=O)N1CCC([N@@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000023282307 717911180 /nfs/dbraw/zinc/91/11/80/717911180.db2.gz PYUYPQNTSBQEFJ-UHFFFAOYSA-N 1 0 348.443 2.683 50 0 EFAARO COc1ccccc1/C=C/C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000005010355 717704261 /nfs/dbraw/zinc/70/42/61/717704261.db2.gz QPZSBZGRUIMOFW-XNSJLZHBSA-N 1 0 336.435 2.989 50 0 EFAARO CCN(CC)CC[N@H+](C)[C@@H]1CCC(=O)N(Cc2ccc(F)cc2)CC1 ZINC000023360701 718093779 /nfs/dbraw/zinc/09/37/79/718093779.db2.gz WDUWOLJGQZREOM-LJQANCHMSA-N 1 0 349.494 2.980 50 0 EFAARO O=C(c1sccc1Cl)N1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000981219341 718511174 /nfs/dbraw/zinc/51/11/74/718511174.db2.gz KKYWNKPYFYWXCJ-ZDUSSCGKSA-N 1 0 342.892 2.976 50 0 EFAARO Cn1cnnc1C1CC[NH+](Cc2cc(-c3ccsc3)n[nH]2)CC1 ZINC000020540768 719473431 /nfs/dbraw/zinc/47/34/31/719473431.db2.gz VDUBVHBVCHXKDQ-UHFFFAOYSA-N 1 0 328.445 2.646 50 0 EFAARO Cc1cc(NC(=O)C[NH+]2CCCCCC2)ccc1N1CCCC1=O ZINC000025407523 727229281 /nfs/dbraw/zinc/22/92/81/727229281.db2.gz TYYIHNRVKMUPTD-UHFFFAOYSA-N 1 0 329.444 2.936 50 0 EFAARO c1ccc2cc(-c3ncc(C[NH2+]CCCc4nn[nH]n4)cn3)ccc2c1 ZINC000055165757 727907909 /nfs/dbraw/zinc/90/79/09/727907909.db2.gz IVEKCUYEKKMFHM-UHFFFAOYSA-N 1 0 345.410 2.532 50 0 EFAARO O=C(COc1ccc(F)cc1)N1CCCN(CCC(F)(F)F)CC1 ZINC000989642210 1106503902 /nfs/dbraw/zinc/50/39/02/1106503902.db2.gz XGOMYJWFYGJOAU-UHFFFAOYSA-N 1 0 348.340 2.691 50 0 EFAARO Cn1cnc2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)ccc21 ZINC000097636619 219043457 /nfs/dbraw/zinc/04/34/57/219043457.db2.gz MUKQTMBRQOFWQC-KRWDZBQOSA-N 1 0 338.411 2.733 50 0 EFAARO CCCCCC(=O)O[C@H](CN1CCCC1=O)C[NH+]1CCCCCC1 ZINC000004729443 210263306 /nfs/dbraw/zinc/26/33/06/210263306.db2.gz UODGGJZLMTYHDJ-KRWDZBQOSA-N 1 0 338.492 2.977 50 0 EFAARO COC(=O)[C@@H]1CC2(CCN(Cc3ccccc3)CC2)[N@@H+]2CCC[C@H]12 ZINC000004722434 210259906 /nfs/dbraw/zinc/25/99/06/210259906.db2.gz VEWGPGAAIZSOKU-QZTJIDSGSA-N 1 0 328.456 2.679 50 0 EFAARO C[NH+](C)CC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000072476918 282113854 /nfs/dbraw/zinc/11/38/54/282113854.db2.gz ANQCCXBMEVZGAX-NSHDSACASA-N 1 0 345.365 2.752 50 0 EFAARO CC1(C)CC(CC(=O)NC[C@H](O)c2ccccc2F)CC(C)(C)[NH2+]1 ZINC000097675310 219047291 /nfs/dbraw/zinc/04/72/91/219047291.db2.gz DBPYCFAWMFDWKQ-INIZCTEOSA-N 1 0 336.451 2.922 50 0 EFAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cn2ccsc2n1 ZINC000097679884 219047374 /nfs/dbraw/zinc/04/73/74/219047374.db2.gz UTUDASGCFYKFHJ-HNNXBMFYSA-N 1 0 340.452 2.615 50 0 EFAARO c1ccc(Oc2ccc(CN3CCN([C@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC000097711860 219049639 /nfs/dbraw/zinc/04/96/39/219049639.db2.gz QYELNGUJJLORJX-IBGZPJMESA-N 1 0 337.467 2.958 50 0 EFAARO Fc1ccc(-n2cccn2)c(C[NH+]2CCC(c3ncon3)CC2)c1 ZINC000097717202 219050813 /nfs/dbraw/zinc/05/08/13/219050813.db2.gz PVKBCHXQJHUVOG-UHFFFAOYSA-N 1 0 327.363 2.774 50 0 EFAARO O=C1N[C@H]2CC[C@@H]1C[N@H+](Cc1cnc(-c3ccc(Cl)cc3)nc1)C2 ZINC000097732899 219052360 /nfs/dbraw/zinc/05/23/60/219052360.db2.gz KJZKHTOROLQARY-ZBFHGGJFSA-N 1 0 342.830 2.507 50 0 EFAARO Cc1ccc(OCCCN(C)C(=O)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000055036380 214265689 /nfs/dbraw/zinc/26/56/89/214265689.db2.gz PSBPEMYHUUNIPL-GOSISDBHSA-N 1 0 330.472 2.920 50 0 EFAARO CCn1cc(C[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)cn1 ZINC000055042078 214266373 /nfs/dbraw/zinc/26/63/73/214266373.db2.gz FMUOIJYEZUZYCX-KRWDZBQOSA-N 1 0 334.427 2.922 50 0 EFAARO CCc1oc(C(=O)N[C@H](C)Cc2cnccn2)cc1C[NH+]1CCCC1 ZINC000055088079 214270825 /nfs/dbraw/zinc/27/08/25/214270825.db2.gz BDZLCZPFKKKDEE-CQSZACIVSA-N 1 0 342.443 2.589 50 0 EFAARO COCC[N@@H+]1CC[C@@H](C(=O)N(C)CCCSc2ccccc2)C1 ZINC000055052615 214267380 /nfs/dbraw/zinc/26/73/80/214267380.db2.gz FXYJRQKVKFZLJE-MRXNPFEDSA-N 1 0 336.501 2.596 50 0 EFAARO COc1cc2c(cc1C[NH+]1CCC(c3ccncn3)CC1)OCO2 ZINC000097756438 219054466 /nfs/dbraw/zinc/05/44/66/219054466.db2.gz QYZZKAKZYABOKN-UHFFFAOYSA-N 1 0 327.384 2.594 50 0 EFAARO Cc1cc(C)c(C[NH+]2CCC(Oc3ncccn3)CC2)c(C)c1CO ZINC000055182940 214284028 /nfs/dbraw/zinc/28/40/28/214284028.db2.gz NZHYFYUVFQKAFL-UHFFFAOYSA-N 1 0 341.455 2.938 50 0 EFAARO CC[NH+](CC)CCC[C@H](C)NC(=O)CC(=O)Nc1ccc(C)cc1 ZINC000055197984 214287432 /nfs/dbraw/zinc/28/74/32/214287432.db2.gz GWHHURRBKYAKGJ-INIZCTEOSA-N 1 0 333.476 2.950 50 0 EFAARO CCc1oc(C(=O)N(C)Cc2snnc2C)cc1C[NH+]1CCCC1 ZINC000055211619 214289575 /nfs/dbraw/zinc/28/95/75/214289575.db2.gz MJMYBNMJHCGLQE-UHFFFAOYSA-N 1 0 348.472 2.870 50 0 EFAARO COCc1cn(C2CC[NH+](C/C=C/c3ccccc3OC)CC2)nn1 ZINC000055252964 214295980 /nfs/dbraw/zinc/29/59/80/214295980.db2.gz VLVLEIBOVURMIZ-FNORWQNLSA-N 1 0 342.443 2.783 50 0 EFAARO Cc1ccnc(C[C@H](C)[N@H+](C)CCn2c3ccccc3oc2=O)c1 ZINC000055271813 214299309 /nfs/dbraw/zinc/29/93/09/214299309.db2.gz FPOCPBVTJRFNOK-HNNXBMFYSA-N 1 0 325.412 2.861 50 0 EFAARO CN1CCN(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)CC1 ZINC000072419542 282148299 /nfs/dbraw/zinc/14/82/99/282148299.db2.gz CZLYHNORESSLOC-LJQANCHMSA-N 1 0 344.503 2.643 50 0 EFAARO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000055374392 214314386 /nfs/dbraw/zinc/31/43/86/214314386.db2.gz GWKOSVNUWISQIM-DLBZAZTESA-N 1 0 336.501 2.880 50 0 EFAARO O=C(NCc1ccc(Cl)nc1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055383940 214315570 /nfs/dbraw/zinc/31/55/70/214315570.db2.gz AZULIQLQMYZCNJ-CQSZACIVSA-N 1 0 333.819 2.856 50 0 EFAARO O=C1CCCN1CCC1CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000055343107 214309613 /nfs/dbraw/zinc/30/96/13/214309613.db2.gz XYFQIOWZVWYMII-VQTJNVASSA-N 1 0 347.547 2.975 50 0 EFAARO CCc1oc(C(=O)N(CC)Cc2noc(C)n2)cc1C[NH+]1CCCC1 ZINC000055344069 214310081 /nfs/dbraw/zinc/31/00/81/214310081.db2.gz AAMASBSIRPFMNY-UHFFFAOYSA-N 1 0 346.431 2.792 50 0 EFAARO CCN1CCC(CNC(=O)Nc2cc(C)cc(F)c2)([NH+](C)C)CC1 ZINC000097759451 219055882 /nfs/dbraw/zinc/05/58/82/219055882.db2.gz YYCSPOVJCPQJSR-UHFFFAOYSA-N 1 0 336.455 2.672 50 0 EFAARO COCC[C@@H]1CCCC[N@@H+]1Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055393580 214318516 /nfs/dbraw/zinc/31/85/16/214318516.db2.gz QWLRDBHMMHTBSY-KRWDZBQOSA-N 1 0 343.471 2.908 50 0 EFAARO Cn1c(CC2CC[NH2+]CC2)nnc1SCC[C@@H](O)c1ccccc1 ZINC000055414038 214322262 /nfs/dbraw/zinc/32/22/62/214322262.db2.gz RUIGBUWGAWVPJD-MRXNPFEDSA-N 1 0 346.500 2.573 50 0 EFAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cccn1CCN1CCOCC1 ZINC000004682145 210246874 /nfs/dbraw/zinc/24/68/74/210246874.db2.gz WNRDAKMAHZRCED-LJQANCHMSA-N 1 0 341.499 2.931 50 0 EFAARO Cc1cc(C)c(C[NH+]2CCC3(COC(=O)O3)CC2)c(-n2cccn2)c1 ZINC000097819678 219059139 /nfs/dbraw/zinc/05/91/39/219059139.db2.gz XGKSGEFVZLCLJO-UHFFFAOYSA-N 1 0 341.411 2.991 50 0 EFAARO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058208886 214503084 /nfs/dbraw/zinc/50/30/84/214503084.db2.gz LUIMSJFUSBTSRE-OAHLLOKOSA-N 1 0 326.444 2.809 50 0 EFAARO Cc1nn(C)c2nc(N3CCCN(c4cc[nH+]cc4C)CC3)sc12 ZINC000095506866 282285291 /nfs/dbraw/zinc/28/52/91/282285291.db2.gz FYJPCKLNARIIIY-UHFFFAOYSA-N 1 0 342.472 2.758 50 0 EFAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH+]1CCC(C)CC1 ZINC000004337525 210174095 /nfs/dbraw/zinc/17/40/95/210174095.db2.gz KLRMVIMDKJJMPR-UHFFFAOYSA-N 1 0 343.427 2.933 50 0 EFAARO C[NH+]1CCC(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000065363971 214874742 /nfs/dbraw/zinc/87/47/42/214874742.db2.gz MXEXOIBNPQOPIM-UHFFFAOYSA-N 1 0 346.452 2.960 50 0 EFAARO Cc1cccc(C[NH2+]CCC(=O)Nc2ccc(C(N)=O)cc2)c1C ZINC000065461891 214917819 /nfs/dbraw/zinc/91/78/19/214917819.db2.gz JMMJURDUOFLWMF-UHFFFAOYSA-N 1 0 325.412 2.521 50 0 EFAARO CCn1c(=O)[nH]nc1C1CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC1 ZINC000065493644 214931517 /nfs/dbraw/zinc/93/15/17/214931517.db2.gz WWPOBMDFNKIDKU-CYBMUJFWSA-N 1 0 332.448 2.866 50 0 EFAARO COc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000101702246 219158599 /nfs/dbraw/zinc/15/85/99/219158599.db2.gz CJFDXPGKFHZRJB-CLROSIBMSA-N 1 0 330.428 2.741 50 0 EFAARO COc1ccc([C@@H](O)[C@@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(OC)cc2)cc1 ZINC000004018942 210101858 /nfs/dbraw/zinc/10/18/58/210101858.db2.gz SLMWVFCNXTYGHR-ILWKUFEGSA-N 1 0 345.439 2.837 50 0 EFAARO Cc1nc(-c2ccccc2)c(C(=O)N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)s1 ZINC000102659294 219219446 /nfs/dbraw/zinc/21/94/46/219219446.db2.gz RSGIRJWYXOACLV-PHZGNYQRSA-N 1 0 341.480 2.998 50 0 EFAARO CCc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc[nH]3)C2)nc1 ZINC000067432371 215145842 /nfs/dbraw/zinc/14/58/42/215145842.db2.gz MHHSQDCWHPNMGP-MRXNPFEDSA-N 1 0 326.444 2.614 50 0 EFAARO CSc1ccc(-c2nc(CN3CCO[C@@H](C[NH3+])C3)c(C)o2)cc1 ZINC000067457753 215148362 /nfs/dbraw/zinc/14/83/62/215148362.db2.gz NSRAKDPHNSFZNV-AWEZNQCLSA-N 1 0 333.457 2.531 50 0 EFAARO COc1ccc(O)cc1C[N@@H+]1CCC[C@H](CNC(=O)C2CCC2)C1 ZINC000067473082 215150785 /nfs/dbraw/zinc/15/07/85/215150785.db2.gz AHKWVQATKNQEOT-CQSZACIVSA-N 1 0 332.444 2.529 50 0 EFAARO COc1ccc(CN(C)c2cc(C3CC[NH2+]CC3)nc(C)n2)cc1O ZINC000067515252 215156772 /nfs/dbraw/zinc/15/67/72/215156772.db2.gz QYLVZTZVTFPYPE-UHFFFAOYSA-N 1 0 342.443 2.603 50 0 EFAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)c1c(O)cccc1O ZINC000067515557 215157884 /nfs/dbraw/zinc/15/78/84/215157884.db2.gz JLHIYPBWEBEFEN-UHFFFAOYSA-N 1 0 340.423 2.966 50 0 EFAARO Cc1nc2c(c(NCCc3nccc(-c4ccccc4)n3)n1)CC[NH2+]C2 ZINC000067513685 215155702 /nfs/dbraw/zinc/15/57/02/215155702.db2.gz WQMCWVADKDCPEC-UHFFFAOYSA-N 1 0 346.438 2.542 50 0 EFAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccncc3C)CC2)o1 ZINC000067539847 215158631 /nfs/dbraw/zinc/15/86/31/215158631.db2.gz ZHNLPKVBMKNOQT-UHFFFAOYSA-N 1 0 327.428 2.933 50 0 EFAARO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cccc(O)c3)C2)cc1 ZINC000067588003 215164874 /nfs/dbraw/zinc/16/48/74/215164874.db2.gz OYZYOXMFGRYMBT-MRXNPFEDSA-N 1 0 340.423 2.653 50 0 EFAARO CCNc1nc(NCCNC(=O)c2ccccc2Cl)cc(C)[nH+]1 ZINC000067612413 215169542 /nfs/dbraw/zinc/16/95/42/215169542.db2.gz MFERLHICKITAPX-UHFFFAOYSA-N 1 0 333.823 2.712 50 0 EFAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)C3([NH3+])CCC3)C2)cc1 ZINC000067603977 215166929 /nfs/dbraw/zinc/16/69/29/215166929.db2.gz NUDIMZZRDQBLAK-MRXNPFEDSA-N 1 0 338.455 2.973 50 0 EFAARO C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C2=CCC[N@H+](C)C2)nn1C ZINC000067641000 215170817 /nfs/dbraw/zinc/17/08/17/215170817.db2.gz LFDBLBKNXIJYDM-CQSZACIVSA-N 1 0 340.427 2.545 50 0 EFAARO C[NH+]1CCC2(CC1)CCC[N@H+](Cc1ccccc1OCC(=O)[O-])CC2 ZINC000067649305 215173538 /nfs/dbraw/zinc/17/35/38/215173538.db2.gz HUTFWFCCTGACQJ-UHFFFAOYSA-N 1 0 346.471 2.848 50 0 EFAARO Cc1cccc(Cn2nc([C@@H]3CCC[NH2+]C3)n(-c3ccccc3)c2=O)c1 ZINC000067655082 215176237 /nfs/dbraw/zinc/17/62/37/215176237.db2.gz MIMLSERNZKIEQE-GOSISDBHSA-N 1 0 348.450 2.858 50 0 EFAARO NC(=O)CC[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067672913 215177833 /nfs/dbraw/zinc/17/78/33/215177833.db2.gz IJJIJTSAHPDPNE-UHFFFAOYSA-N 1 0 346.434 2.977 50 0 EFAARO CCC[C@H]1CCCN1C(=O)c1cnn2cc(C[NH+](CC)CC)cnc12 ZINC000067675045 215181516 /nfs/dbraw/zinc/18/15/16/215181516.db2.gz ZGMUBTZROSVPKX-INIZCTEOSA-N 1 0 343.475 2.976 50 0 EFAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)C2CC2)C1 ZINC000067688583 215183958 /nfs/dbraw/zinc/18/39/58/215183958.db2.gz RRBXWZYZKFTHKF-INIZCTEOSA-N 1 0 336.501 2.679 50 0 EFAARO CCn1c(=O)n(C)nc1[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000067714835 215192407 /nfs/dbraw/zinc/19/24/07/215192407.db2.gz UZJKCYZEYMCZBX-KRWDZBQOSA-N 1 0 328.460 2.598 50 0 EFAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)C1([NH3+])CC1)CCO2 ZINC000067713956 215192472 /nfs/dbraw/zinc/19/24/72/215192472.db2.gz MILMJYLPGBVSNA-UHFFFAOYSA-N 1 0 338.407 2.580 50 0 EFAARO CCOc1ccc2[nH]c(=O)c(C[NH+]3CCC([C@@H](C)O)CC3)cc2c1 ZINC000067690845 215185342 /nfs/dbraw/zinc/18/53/42/215185342.db2.gz XTYWWKOVKGVFAT-CYBMUJFWSA-N 1 0 330.428 2.520 50 0 EFAARO CC(C)C[NH+]1CCC(N[C@@H](C)c2nc(-c3ccccn3)no2)CC1 ZINC000067690732 215186063 /nfs/dbraw/zinc/18/60/63/215186063.db2.gz TZUCCLHYKCSKNN-AWEZNQCLSA-N 1 0 329.448 2.903 50 0 EFAARO Cc1ccc(C)c(CC(=O)NC[C@@H]2CC[N@H+](Cc3ccncc3)C2)c1 ZINC000067690514 215186233 /nfs/dbraw/zinc/18/62/33/215186233.db2.gz ZGLKDQREYJXUTN-IBGZPJMESA-N 1 0 337.467 2.879 50 0 EFAARO c1cn(C[C@H]2CCC[N@H+](Cc3cnc(-c4ccccn4)nc3)C2)cn1 ZINC000067694579 215187436 /nfs/dbraw/zinc/18/74/36/215187436.db2.gz CRKPKHHQLNABAX-INIZCTEOSA-N 1 0 334.427 2.647 50 0 EFAARO C[C@@H](Cc1cccc(F)c1)[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000067695418 215187660 /nfs/dbraw/zinc/18/76/60/215187660.db2.gz DFLDIUMNITXKJQ-ZDUSSCGKSA-N 1 0 325.387 2.826 50 0 EFAARO CCn1c(=O)[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2C)C1 ZINC000067755024 215202641 /nfs/dbraw/zinc/20/26/41/215202641.db2.gz QHLZGEMXSKRSQT-INIZCTEOSA-N 1 0 344.459 2.596 50 0 EFAARO C[C@@H](Cn1cncn1)[NH2+]Cc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067754964 215203113 /nfs/dbraw/zinc/20/31/13/215203113.db2.gz KIBQNRJLZIJEDV-LBPRGKRZSA-N 1 0 345.353 2.922 50 0 EFAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Cc3ccccn3)C2)cc1C ZINC000067755128 215203392 /nfs/dbraw/zinc/20/33/92/215203392.db2.gz PLQIHZVTJMNVKL-LJQANCHMSA-N 1 0 337.467 2.879 50 0 EFAARO CCCc1cc(C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)cs1 ZINC000067742877 215200171 /nfs/dbraw/zinc/20/01/71/215200171.db2.gz XBGFTPCEPWCXPA-UHFFFAOYSA-N 1 0 335.517 2.553 50 0 EFAARO COc1ccc(Oc2cncc(N(C)C)n2)cc1C[NH+]1CCCC1 ZINC000067741980 215201226 /nfs/dbraw/zinc/20/12/26/215201226.db2.gz HUGYEJMZCRHEIF-UHFFFAOYSA-N 1 0 328.416 2.939 50 0 EFAARO Cc1nc(C2CC[NH2+]CC2)cc(N(C)Cc2[nH]nc3c2CCC3)n1 ZINC000067769781 215208497 /nfs/dbraw/zinc/20/84/97/215208497.db2.gz PJPRJCAQCKJZQC-KRWDZBQOSA-N 1 0 326.448 2.961 50 0 EFAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCSCC1 ZINC000067772292 215209057 /nfs/dbraw/zinc/20/90/57/215209057.db2.gz VSYPHGNGTVHVET-UHFFFAOYSA-N 1 0 333.501 2.657 50 0 EFAARO COc1cc(-c2nccn2C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000067772218 215209283 /nfs/dbraw/zinc/20/92/83/215209283.db2.gz HFBPKGMZEHQOOL-UHFFFAOYSA-N 1 0 331.416 2.843 50 0 EFAARO CC(=O)NCC[C@H]1C[N@H+](Cc2cccc3c(C)cccc23)CCO1 ZINC000067774662 215209376 /nfs/dbraw/zinc/20/93/76/215209376.db2.gz ZUPOKARHSPTPMZ-SFHVURJKSA-N 1 0 326.440 2.875 50 0 EFAARO C=Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)COC)C3)C2)c1 ZINC000067788268 215211740 /nfs/dbraw/zinc/21/17/40/215211740.db2.gz SUWQZKKHVHCPBT-HXUWFJFHSA-N 1 0 328.456 2.791 50 0 EFAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3cccs3)nn2C)C1 ZINC000067817544 215219546 /nfs/dbraw/zinc/21/95/46/215219546.db2.gz ICMKRBHNFBDOOK-ZDUSSCGKSA-N 1 0 332.473 2.610 50 0 EFAARO CC(C)CC[C@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2ccoc2)C1=O ZINC000067817693 215220285 /nfs/dbraw/zinc/22/02/85/215220285.db2.gz BYISRFWNMONCTE-GOSISDBHSA-N 1 0 333.432 2.506 50 0 EFAARO O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067817182 215220447 /nfs/dbraw/zinc/22/04/47/215220447.db2.gz OQHGOKJTONEYTR-AWEZNQCLSA-N 1 0 349.283 2.758 50 0 EFAARO Cc1ccc(-c2nc(CNC(=O)[C@@H](C)C[NH3+])[nH]c2-c2ccccn2)cc1 ZINC000067834363 215224230 /nfs/dbraw/zinc/22/42/30/215224230.db2.gz NWTVOLZXLJPPFR-AWEZNQCLSA-N 1 0 349.438 2.658 50 0 EFAARO [NH3+]C[C@H]1CCN(C(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)C1 ZINC000067834448 215224253 /nfs/dbraw/zinc/22/42/53/215224253.db2.gz MKBMKASODYPAAN-CQSZACIVSA-N 1 0 348.402 2.881 50 0 EFAARO CC(=O)Nc1cccc(C(=O)NCC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000067805205 215217871 /nfs/dbraw/zinc/21/78/71/215217871.db2.gz WZUWTJHPDAWUCV-MRXNPFEDSA-N 1 0 331.460 2.885 50 0 EFAARO c1ccc(NCCNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)cc1 ZINC000067805154 215218010 /nfs/dbraw/zinc/21/80/10/215218010.db2.gz KIRPUJVRGYYXMU-UHFFFAOYSA-N 1 0 346.438 2.708 50 0 EFAARO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000067805415 215218157 /nfs/dbraw/zinc/21/81/57/215218157.db2.gz UPKBYTVCGLNWOG-CQSZACIVSA-N 1 0 335.448 2.946 50 0 EFAARO Cc1ccc(-c2nc(CNC(=O)C(C)(C)[NH3+])[nH]c2-c2ccccn2)cc1 ZINC000067840244 215226289 /nfs/dbraw/zinc/22/62/89/215226289.db2.gz MOCNRSCZJJHTGY-UHFFFAOYSA-N 1 0 349.438 2.801 50 0 EFAARO CCc1c[nH]nc1C1CC[NH+](Cc2ccccc2OCCO)CC1 ZINC000067841404 215227069 /nfs/dbraw/zinc/22/70/69/215227069.db2.gz CFGMTUYVLCBEPK-UHFFFAOYSA-N 1 0 329.444 2.723 50 0 EFAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1nccnc1N(C)C ZINC000067846878 215228420 /nfs/dbraw/zinc/22/84/20/215228420.db2.gz LQEMAEIAVDRYMF-UHFFFAOYSA-N 1 0 328.416 2.939 50 0 EFAARO CCC[NH+]1CCC(Cc2noc(-c3ccc4c(c3)nnn4C)n2)CC1 ZINC000067847263 215229173 /nfs/dbraw/zinc/22/91/73/215229173.db2.gz WVAUROFAPBOXBG-UHFFFAOYSA-N 1 0 340.431 2.683 50 0 EFAARO Cc1cc(C)n(-c2cccc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)c2)n1 ZINC000067847698 215229545 /nfs/dbraw/zinc/22/95/45/215229545.db2.gz LYEBQLRGUNWWRE-FQEVSTJZSA-N 1 0 338.455 2.705 50 0 EFAARO Cc1nc(C2CC[NH2+]CC2)cc(N(C)C[C@H]2Cc3ccccc3O2)n1 ZINC000067847428 215230552 /nfs/dbraw/zinc/23/05/52/215230552.db2.gz RAAAEGICBNBBID-QGZVFWFLSA-N 1 0 338.455 2.692 50 0 EFAARO CCc1cc(C[N@@H+]2CC[C@H](CNC(=O)c3cccc(O)c3C)C2)on1 ZINC000067856221 215233556 /nfs/dbraw/zinc/23/35/56/215233556.db2.gz VZCMMKHQUFJBPF-CQSZACIVSA-N 1 0 343.427 2.503 50 0 EFAARO [NH3+]C[C@@H]1CCN(C(=O)c2cccc(NCc3ccc(F)cc3)c2)C1 ZINC000067856198 215233816 /nfs/dbraw/zinc/23/38/16/215233816.db2.gz JKBOMRBRCUXLDG-HNNXBMFYSA-N 1 0 327.403 2.859 50 0 EFAARO O[C@@H]1C[N@H+](CCc2ccccc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067869128 215236063 /nfs/dbraw/zinc/23/60/63/215236063.db2.gz LWIHRNGGJGBAHS-ZWKOTPCHSA-N 1 0 325.408 2.808 50 0 EFAARO CCC[C@H]([NH3+])C(=O)N1CCC(c2n[nH]cc2Cc2ccccc2)CC1 ZINC000067878121 215236973 /nfs/dbraw/zinc/23/69/73/215236973.db2.gz KSSVMEVWZSMVRE-SFHVURJKSA-N 1 0 340.471 2.834 50 0 EFAARO CCc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc(C)nc3)C2)nc1 ZINC000067872969 215237143 /nfs/dbraw/zinc/23/71/43/215237143.db2.gz GOIWLSZBYUFQCY-QGZVFWFLSA-N 1 0 338.455 2.599 50 0 EFAARO O=C(NC[C@H]1CC[N@H+](Cc2ccccn2)C1)c1cccc2cnccc21 ZINC000067872686 215237980 /nfs/dbraw/zinc/23/79/80/215237980.db2.gz ZKQLDJDHYGGWEI-MRXNPFEDSA-N 1 0 346.434 2.882 50 0 EFAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccco2)C1)c1cn2ccsc2n1 ZINC000067909649 215248902 /nfs/dbraw/zinc/24/89/02/215248902.db2.gz ZOJXXZAFXFJIAZ-ZDUSSCGKSA-N 1 0 344.440 2.631 50 0 EFAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3sccc3C)oc2C)C1 ZINC000067947479 215256179 /nfs/dbraw/zinc/25/61/79/215256179.db2.gz LROKJKZPUDMLJC-CYBMUJFWSA-N 1 0 333.457 2.978 50 0 EFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]C2CCN(c3ccc(Cl)nn3)CC2)n1 ZINC000067974736 215263811 /nfs/dbraw/zinc/26/38/11/215263811.db2.gz SZTKUGFKALKADI-CYBMUJFWSA-N 1 0 348.882 2.590 50 0 EFAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)Cc2[nH]nc3c2CCC3)n1 ZINC000067974024 215264091 /nfs/dbraw/zinc/26/40/91/215264091.db2.gz INMSZRPQXQUPEU-CXAGYDPISA-N 1 0 326.448 2.961 50 0 EFAARO C=Cc1cccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C(C)C)C2)c1 ZINC000067981790 215265442 /nfs/dbraw/zinc/26/54/42/215265442.db2.gz GPBOZZQTPZSSLV-SFHVURJKSA-N 1 0 336.501 2.869 50 0 EFAARO Nc1ncc(C[NH+]2CCC(c3n[nH]cc3Cc3ccccc3)CC2)cn1 ZINC000067981911 215266453 /nfs/dbraw/zinc/26/64/53/215266453.db2.gz UHDXGZDZCPNIHC-UHFFFAOYSA-N 1 0 348.454 2.752 50 0 EFAARO CCOc1ccc2[nH]c(=O)c(C[N@H+](C)[C@H](C)c3ccncn3)cc2c1 ZINC000067974174 215264217 /nfs/dbraw/zinc/26/42/17/215264217.db2.gz WEBACZKYCZBRJY-CYBMUJFWSA-N 1 0 338.411 2.910 50 0 EFAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccccn2)C1)Nc1ccc(F)cc1 ZINC000067973778 215264367 /nfs/dbraw/zinc/26/43/67/215264367.db2.gz YGSGJLDOWFPDPO-AWEZNQCLSA-N 1 0 328.391 2.864 50 0 EFAARO C[NH2+]C(C)(C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067975187 215264860 /nfs/dbraw/zinc/26/48/60/215264860.db2.gz JIIRIVZSTPMMQX-UHFFFAOYSA-N 1 0 335.354 2.766 50 0 EFAARO C[N@@H+]1[C@H](CC(=O)c2ccccc2)C[C@H](O)[C@@H]1CC(=O)c1ccccc1 ZINC000068677300 215326876 /nfs/dbraw/zinc/32/68/76/215326876.db2.gz CHZLLIURHLNVQA-LQWHRVPQSA-N 1 0 337.419 2.966 50 0 EFAARO CC(C)CC[N@@H+]1CCN(Cc2ccc3nsnc3c2)C[C@H]1CCO ZINC000104305212 219372718 /nfs/dbraw/zinc/37/27/18/219372718.db2.gz MADGHSNUPLFXPL-MRXNPFEDSA-N 1 0 348.516 2.606 50 0 EFAARO CC(C)CC[N@@H+]1CCN(Cc2cc(CC(C)C)n[nH]2)C[C@H]1CCO ZINC000104403605 219384857 /nfs/dbraw/zinc/38/48/57/219384857.db2.gz XAYNVQFUJZNPMX-LJQANCHMSA-N 1 0 336.524 2.523 50 0 EFAARO COc1ccc(C2=Nn3c(CCC[NH3+])nnc3-c3ccccc3C2)cc1 ZINC000040545050 213346087 /nfs/dbraw/zinc/34/60/87/213346087.db2.gz BNHIMQGXSIYMIE-UHFFFAOYSA-N 1 0 347.422 2.654 50 0 EFAARO CC(C)c1cc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)[nH]n1 ZINC000039557910 213241241 /nfs/dbraw/zinc/24/12/41/213241241.db2.gz NQIXEPGLMGCICI-LJQANCHMSA-N 1 0 342.487 2.602 50 0 EFAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cc1OC ZINC000039532641 213239000 /nfs/dbraw/zinc/23/90/00/213239000.db2.gz IUMQWKYMEVIVEF-GOSISDBHSA-N 1 0 348.487 2.515 50 0 EFAARO C[C@H]([NH2+]C[C@@H](O)COCCOc1ccc(F)cc1)c1ccccc1 ZINC000038642107 213219441 /nfs/dbraw/zinc/21/94/41/213219441.db2.gz ZOTRJEOURCINOH-MAUKXSAKSA-N 1 0 333.403 2.933 50 0 EFAARO Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(C)c(C)c2)[nH+]1 ZINC000036708124 213112396 /nfs/dbraw/zinc/11/23/96/213112396.db2.gz JFZAJVSEHBWLHC-UHFFFAOYSA-N 1 0 342.447 2.701 50 0 EFAARO CCNc1nc(NCCNC(=O)c2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000072117759 216012467 /nfs/dbraw/zinc/01/24/67/216012467.db2.gz XJHQATZZFJGLII-UHFFFAOYSA-N 1 0 333.823 2.712 50 0 EFAARO CCOCCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072122346 216015602 /nfs/dbraw/zinc/01/56/02/216015602.db2.gz PAURHFGGLBDVKP-CEWLAPEOSA-N 1 0 342.483 2.810 50 0 EFAARO Cn1c(CCNC(=O)c2ccccc2[C@H]2CC[NH2+]C2)nc2ccccc21 ZINC000072121780 216015670 /nfs/dbraw/zinc/01/56/70/216015670.db2.gz IMONQEVXHKTOEC-HNNXBMFYSA-N 1 0 348.450 2.623 50 0 EFAARO CC[C@H]1CN(Cc2cnc(N3CCCCC3)nc2)CC[N@@H+]1C(C)C ZINC000072124166 216016533 /nfs/dbraw/zinc/01/65/33/216016533.db2.gz IOFQXIJXCFAMEQ-SFHVURJKSA-N 1 0 331.508 2.772 50 0 EFAARO CCCN(Cc1nccn1C)C(=O)c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000072127384 216018390 /nfs/dbraw/zinc/01/83/90/216018390.db2.gz FPKAVYRZUGWLQM-KRWDZBQOSA-N 1 0 326.444 2.549 50 0 EFAARO CCCN(Cc1nccn1C)C(=O)c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000072127383 216018476 /nfs/dbraw/zinc/01/84/76/216018476.db2.gz FPKAVYRZUGWLQM-QGZVFWFLSA-N 1 0 326.444 2.549 50 0 EFAARO O=C(NC[C@@]1(O)CCC[NH2+]CC1)c1cccc(-c2ccc(F)cc2)c1 ZINC000072140439 216027129 /nfs/dbraw/zinc/02/71/29/216027129.db2.gz AJHBDDKFAWOYBX-HXUWFJFHSA-N 1 0 342.414 2.727 50 0 EFAARO Cc1nc(C2CC[NH+](Cc3ccnc(C(C)C)n3)CC2)cc(=O)[nH]1 ZINC000072134592 216023014 /nfs/dbraw/zinc/02/30/14/216023014.db2.gz ICDJOBPTJCPPCJ-UHFFFAOYSA-N 1 0 327.432 2.784 50 0 EFAARO Cc1nc(C2CC[NH+](Cc3ccc4nsnc4c3)CC2)cc(=O)[nH]1 ZINC000072137194 216025389 /nfs/dbraw/zinc/02/53/89/216025389.db2.gz UHPIVTKRZUSJPD-UHFFFAOYSA-N 1 0 341.440 2.875 50 0 EFAARO O=C(NC[C@H]1C[NH2+]CCOC1)Nc1ccccc1Oc1ccccc1 ZINC000072145611 216031818 /nfs/dbraw/zinc/03/18/18/216031818.db2.gz YBEADYHNJJFYKV-OAHLLOKOSA-N 1 0 341.411 2.836 50 0 EFAARO CC[C@H]1CN(c2cc(-c3ccccc3F)nc3ccnn32)CC[NH2+]1 ZINC000072145604 216032284 /nfs/dbraw/zinc/03/22/84/216032284.db2.gz ITJKJPURGUOJEA-ZDUSSCGKSA-N 1 0 325.391 2.724 50 0 EFAARO CCCN(Cc1nccn1C)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072146520 216033601 /nfs/dbraw/zinc/03/36/01/216033601.db2.gz CGKWERWAYOQOCN-HNNXBMFYSA-N 1 0 326.444 2.549 50 0 EFAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnc(Nc3ccccc3)nc2)CC1 ZINC000072147743 216034587 /nfs/dbraw/zinc/03/45/87/216034587.db2.gz MIBJOYKHEBCQMT-QGZVFWFLSA-N 1 0 339.443 2.777 50 0 EFAARO CN(CCC[NH+](C)C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000072151110 216039735 /nfs/dbraw/zinc/03/97/35/216039735.db2.gz PHDYNHDJJHRCCJ-LJQANCHMSA-N 1 0 345.531 2.839 50 0 EFAARO Cn1cc(NC(=O)C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)cn1 ZINC000072152325 216041201 /nfs/dbraw/zinc/04/12/01/216041201.db2.gz LBKKMMIOTVGIFW-MRXNPFEDSA-N 1 0 344.434 2.843 50 0 EFAARO COCC[N@@H+]1CCC[C@@H](CN(C)c2cc(C(C)C)nc3ccnn32)C1 ZINC000072147847 216035002 /nfs/dbraw/zinc/03/50/02/216035002.db2.gz GYIPBHZLAGRCRY-INIZCTEOSA-N 1 0 345.491 2.647 50 0 EFAARO CCOCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072148280 216035723 /nfs/dbraw/zinc/03/57/23/216035723.db2.gz VAGCGABVKXVWNU-GOSISDBHSA-N 1 0 336.451 2.921 50 0 EFAARO Cc1cc(N[C@H]2CC(=O)N(Cc3cccc4ccccc43)C2)nc(N)[nH+]1 ZINC000072153159 216042424 /nfs/dbraw/zinc/04/24/24/216042424.db2.gz SKKYKYFXJULBRM-INIZCTEOSA-N 1 0 347.422 2.733 50 0 EFAARO c1ccc2c(c1)C[C@@H](Nc1nc(-c3ccncc3)nc3c1C[NH2+]C3)CO2 ZINC000072155897 216045577 /nfs/dbraw/zinc/04/55/77/216045577.db2.gz HYFPLVGEBBUKKB-OAHLLOKOSA-N 1 0 345.406 2.557 50 0 EFAARO Cc1nc2ccccc2n1CCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000072156826 216047015 /nfs/dbraw/zinc/04/70/15/216047015.db2.gz DBWNYOLSONDZPQ-INIZCTEOSA-N 1 0 328.460 2.678 50 0 EFAARO Cc1nc(CN(Cc2cccnc2)[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC000072165479 216054172 /nfs/dbraw/zinc/05/41/72/216054172.db2.gz YEBNGXBWJPVMJJ-GOSISDBHSA-N 1 0 328.485 2.943 50 0 EFAARO CC(C)(C)C[N@@H+]1CC[C@H](C2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000072166036 216055152 /nfs/dbraw/zinc/05/51/52/216055152.db2.gz AALSHPFPAUOQAD-INIZCTEOSA-N 1 0 344.503 2.765 50 0 EFAARO CCOCCC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072163348 216051126 /nfs/dbraw/zinc/05/11/26/216051126.db2.gz PAURHFGGLBDVKP-HMXCVIKNSA-N 1 0 342.483 2.810 50 0 EFAARO CCCC[NH+]1CCC(CNc2nc(CC)nc3c2cnn3C)CC1 ZINC000072162994 216051623 /nfs/dbraw/zinc/05/16/23/216051623.db2.gz XOKVINMNDSIDDO-UHFFFAOYSA-N 1 0 330.480 2.850 50 0 EFAARO Cc1ccc2nc(CNC(=O)c3ccccc3[C@@H]3CC[NH2+]C3)cn2c1 ZINC000072168629 216059795 /nfs/dbraw/zinc/05/97/95/216059795.db2.gz HZTYJEPXDOUOAO-OAHLLOKOSA-N 1 0 334.423 2.650 50 0 EFAARO Cc1cc2cccc(C(=O)N3CCC([NH+]4CCC(O)CC4)CC3)c2o1 ZINC000072170399 216062771 /nfs/dbraw/zinc/06/27/71/216062771.db2.gz YQMRORADXFQORP-UHFFFAOYSA-N 1 0 342.439 2.803 50 0 EFAARO Cc1ccccc1CC[C@@H]1CCC[N@@H+](Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC000072167982 216059148 /nfs/dbraw/zinc/05/91/48/216059148.db2.gz KYGFWNPDINBKML-INIZCTEOSA-N 1 0 341.455 2.525 50 0 EFAARO [NH3+]Cc1cc(F)c(Br)cc1I ZINC000169797860 283527457 /nfs/dbraw/zinc/52/74/57/283527457.db2.gz HWRRBKCMIYLRHJ-UHFFFAOYSA-N 1 0 329.938 2.652 50 0 EFAARO CC(C)(O)CCc1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000072407137 216198177 /nfs/dbraw/zinc/19/81/77/216198177.db2.gz BCEFTLFHRFBXRT-HXUWFJFHSA-N 1 0 346.515 2.687 50 0 EFAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 ZINC000072408586 216199104 /nfs/dbraw/zinc/19/91/04/216199104.db2.gz XBWKWZCQWCGVKJ-GOSISDBHSA-N 1 0 332.488 2.946 50 0 EFAARO C[C@@H](O)CNc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072408407 216199405 /nfs/dbraw/zinc/19/94/05/216199405.db2.gz SCQQHMCAXLJSDL-CYBMUJFWSA-N 1 0 346.862 2.592 50 0 EFAARO CNc1ncc(C(=O)N(C)CC2([NH+]3CCCCC3)CCCCC2)cn1 ZINC000072418007 216206557 /nfs/dbraw/zinc/20/65/57/216206557.db2.gz JPIPTXDATOVWAT-UHFFFAOYSA-N 1 0 345.491 2.779 50 0 EFAARO Cc1nc2c(c(NCCc3nc4ccccc4s3)n1)CC[NH2+]CC2 ZINC000072419061 216207595 /nfs/dbraw/zinc/20/75/95/216207595.db2.gz WKEIWELXCVHFLT-UHFFFAOYSA-N 1 0 339.468 2.738 50 0 EFAARO COCCCN1C[C@@]2(CCCN(c3cc[nH+]c(C)c3)C2)CCC1=O ZINC000072420332 216208723 /nfs/dbraw/zinc/20/87/23/216208723.db2.gz NHPRTHWAIDSTQU-IBGZPJMESA-N 1 0 331.460 2.636 50 0 EFAARO Cc1cnc(C(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000072426095 216215870 /nfs/dbraw/zinc/21/58/70/216215870.db2.gz FRMREHNXLRFVTA-UHFFFAOYSA-N 1 0 338.455 2.564 50 0 EFAARO Fc1ccc(-c2cc(CNc3ncnc4c3CC[NH2+]CC4)on2)cc1 ZINC000072425482 216215934 /nfs/dbraw/zinc/21/59/34/216215934.db2.gz NFEDTHQEBZYACB-UHFFFAOYSA-N 1 0 339.374 2.571 50 0 EFAARO Cc1ncoc1C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072428692 216219919 /nfs/dbraw/zinc/21/99/19/216219919.db2.gz IXXIPDBIOMLQFF-UHFFFAOYSA-N 1 0 329.444 2.710 50 0 EFAARO CC(C)c1nc(N2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)no1 ZINC000072430198 216221910 /nfs/dbraw/zinc/22/19/10/216221910.db2.gz SPFXZYJYFBEXKT-MRXNPFEDSA-N 1 0 336.480 2.646 50 0 EFAARO CNC(=O)c1ccnc(N[C@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000072433704 216227942 /nfs/dbraw/zinc/22/79/42/216227942.db2.gz QWQNBCUQJGUSBF-KRWDZBQOSA-N 1 0 330.476 2.898 50 0 EFAARO OC[C@@]1(O)CCC[N@H+](Cc2cnc(-c3cccc4ccccc43)nc2)C1 ZINC000072430647 216223688 /nfs/dbraw/zinc/22/36/88/216223688.db2.gz AWJOITPVXCNZEI-OAQYLSRUSA-N 1 0 349.434 2.616 50 0 EFAARO CCCOCC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072432036 216225812 /nfs/dbraw/zinc/22/58/12/216225812.db2.gz FMMMHGDHQDFQTM-HXUWFJFHSA-N 1 0 345.487 2.713 50 0 EFAARO C[C@@H]1Cc2cc(Cn3ccnc3-c3cc4n(n3)CCC[NH2+]C4)ccc2O1 ZINC000072436087 216230772 /nfs/dbraw/zinc/23/07/72/216230772.db2.gz UYHUCXIQBOABLQ-CQSZACIVSA-N 1 0 349.438 2.612 50 0 EFAARO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(CCC(C)(C)O)c1)C2 ZINC000072436054 216230897 /nfs/dbraw/zinc/23/08/97/216230897.db2.gz WNMKOFNVQAVGGW-OAQYLSRUSA-N 1 0 344.499 2.948 50 0 EFAARO CN(C[C@@H]1CCCC[N@@H+]1C)c1cc(-c2ccncc2)nc2ccnn21 ZINC000072436132 216231264 /nfs/dbraw/zinc/23/12/64/216231264.db2.gz ZDQPOHSCNXQPJX-INIZCTEOSA-N 1 0 336.443 2.712 50 0 EFAARO Cc1cccnc1C[C@@H](C)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072454355 216240516 /nfs/dbraw/zinc/24/05/16/216240516.db2.gz NZVVWYZKZUCHGC-OAHLLOKOSA-N 1 0 336.443 2.747 50 0 EFAARO COc1c(F)cc(C[C@@H]2CC[C@H](C[N@@H+]3CCCOCC3)O2)cc1F ZINC000072454567 216242411 /nfs/dbraw/zinc/24/24/11/216242411.db2.gz YMSJOIFNIVKDJR-LSDHHAIUSA-N 1 0 341.398 2.786 50 0 EFAARO CCCOc1ccccc1C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072454665 216242785 /nfs/dbraw/zinc/24/27/85/216242785.db2.gz MGPLWJWTOMCPJS-UHFFFAOYSA-N 1 0 339.439 2.755 50 0 EFAARO Cc1cc(-n2cccn2)ccc1C[N@H+]1CCC[C@]2(CN(C)C(=O)O2)C1 ZINC000072462553 216243697 /nfs/dbraw/zinc/24/36/97/216243697.db2.gz FPCFCTBZYHFZGY-IBGZPJMESA-N 1 0 340.427 2.597 50 0 EFAARO CCOCc1nc2c(c(N[C@H](C)c3cccs3)n1)CC[NH2+]CC2 ZINC000072472802 216250048 /nfs/dbraw/zinc/25/00/48/216250048.db2.gz NFPOMXAQQDAQQT-GFCCVEGCSA-N 1 0 332.473 2.936 50 0 EFAARO CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1ccc(CC)cn1)CC2 ZINC000072463022 216245844 /nfs/dbraw/zinc/24/58/44/216245844.db2.gz BNWHRXKFSJRGRB-GOSISDBHSA-N 1 0 345.487 2.795 50 0 EFAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1n[nH]c2ccccc21 ZINC000072462812 216245891 /nfs/dbraw/zinc/24/58/91/216245891.db2.gz WJXMEHCLBJRXPU-MRXNPFEDSA-N 1 0 334.423 2.692 50 0 EFAARO COc1ccc(Cl)cc1-n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072469012 216249052 /nfs/dbraw/zinc/24/90/52/216249052.db2.gz NZQGDURBIRJSPB-UHFFFAOYSA-N 1 0 343.818 2.891 50 0 EFAARO COCc1noc(-c2ccc(N(C)CC[N@@H+]3CCCC[C@@H]3C)nc2)n1 ZINC000072476602 216254366 /nfs/dbraw/zinc/25/43/66/216254366.db2.gz WKDOCJSPZBYDDY-AWEZNQCLSA-N 1 0 345.447 2.589 50 0 EFAARO Cc1nn(C)c2nc(C)nc(NCC3CC[NH+](CC(C)C)CC3)c12 ZINC000072477683 216255325 /nfs/dbraw/zinc/25/53/25/216255325.db2.gz GEWCDMDLFSQQBZ-UHFFFAOYSA-N 1 0 330.480 2.760 50 0 EFAARO Cc1ncc2c(c1CNC(=O)c1ccccc1OC(F)F)CC[NH2+]C2 ZINC000072475762 216252764 /nfs/dbraw/zinc/25/27/64/216252764.db2.gz UVLKMBULBBHTCB-UHFFFAOYSA-N 1 0 347.365 2.567 50 0 EFAARO Fc1ccc(Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c(F)c1F ZINC000072479036 216259255 /nfs/dbraw/zinc/25/92/55/216259255.db2.gz YSAQMBQYLAIJIN-UHFFFAOYSA-N 1 0 347.344 2.706 50 0 EFAARO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000170861349 239132068 /nfs/dbraw/zinc/13/20/68/239132068.db2.gz PTIBUFKMGKMBJI-CQSZACIVSA-N 1 0 329.366 2.593 50 0 EFAARO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1nc(-c2ccccc2)cs1 ZINC000023477184 212378671 /nfs/dbraw/zinc/37/86/71/212378671.db2.gz FJZPPHKXPWZWRZ-OAHLLOKOSA-N 1 0 342.468 2.529 50 0 EFAARO OCC1CCN([C@H]2CCC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000023372884 212372934 /nfs/dbraw/zinc/37/29/34/212372934.db2.gz NJMHRNBUCAJZMQ-OPFHRDBUSA-N 1 0 332.532 2.980 50 0 EFAARO Cn1ncc(C[NH+]2CCC(c3cc(=O)[nH]cn3)CC2)c1-c1ccccc1 ZINC000023429201 212376702 /nfs/dbraw/zinc/37/67/02/212376702.db2.gz ZXXZOWGTXQCDEB-UHFFFAOYSA-N 1 0 349.438 2.550 50 0 EFAARO CCOc1ccccc1CN1CC[N@@H+](C2CCCC2)C[C@@H]1CCO ZINC000023375415 212373036 /nfs/dbraw/zinc/37/30/36/212373036.db2.gz JJUAWDOMAHLLAB-IBGZPJMESA-N 1 0 332.488 2.897 50 0 EFAARO CC(=O)N1CCC([N@@H+](C)[C@@H]2CCCN(CCc3ccccc3)C2)CC1 ZINC000023360922 212370427 /nfs/dbraw/zinc/37/04/27/212370427.db2.gz BMGNUPJFKYMQHY-OAQYLSRUSA-N 1 0 343.515 2.636 50 0 EFAARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(-n3cccn3)cc1)C2 ZINC000023340237 212369497 /nfs/dbraw/zinc/36/94/97/212369497.db2.gz KUZSYCCXFIRHLA-QGZVFWFLSA-N 1 0 335.407 2.974 50 0 EFAARO OCc1cn(C2CC[NH+](Cc3ccc4c5c(cccc53)CC4)CC2)nn1 ZINC000023214671 212360815 /nfs/dbraw/zinc/36/08/15/212360815.db2.gz ZZGJRIJKBKHZCR-UHFFFAOYSA-N 1 0 348.450 2.859 50 0 EFAARO COc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000023105626 212348471 /nfs/dbraw/zinc/34/84/71/212348471.db2.gz GSBAVAJAWYZFCW-HNNXBMFYSA-N 1 0 334.441 2.555 50 0 EFAARO CC[NH+]1CCN(C[C@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000022918013 212334784 /nfs/dbraw/zinc/33/47/84/212334784.db2.gz FGUGTIYSGNXZMK-IBGZPJMESA-N 1 0 340.467 2.731 50 0 EFAARO COCC[NH+]1CCN(Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000022910539 212332839 /nfs/dbraw/zinc/33/28/39/212332839.db2.gz UIWYHMVUPWJPHK-UHFFFAOYSA-N 1 0 340.427 2.587 50 0 EFAARO COCCc1ncc(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)cn1 ZINC000022852416 212329968 /nfs/dbraw/zinc/32/99/68/212329968.db2.gz UIVTZTGJHCBCIK-IBGZPJMESA-N 1 0 346.519 2.800 50 0 EFAARO Cc1ccccc1C(=O)NC[C@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022794534 212325309 /nfs/dbraw/zinc/32/53/09/212325309.db2.gz ALNKVZLYSHGRQA-GOSISDBHSA-N 1 0 343.496 2.775 50 0 EFAARO C[NH+]1CCN([C@H](CNC(=O)c2ccc(F)cc2)c2ccsc2)CC1 ZINC000022765504 212322066 /nfs/dbraw/zinc/32/20/66/212322066.db2.gz FOWQHTCAOHQVHR-QGZVFWFLSA-N 1 0 347.459 2.606 50 0 EFAARO Cc1ccc([C@H](CNC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022582460 212308978 /nfs/dbraw/zinc/30/89/78/212308978.db2.gz CTEDGXYMRJYEEK-KRWDZBQOSA-N 1 0 343.496 2.775 50 0 EFAARO CCn1c(C)cc(O)c([C@H](c2ccccn2)[NH+]2CCCCC2)c1=O ZINC000022697379 212317453 /nfs/dbraw/zinc/31/74/53/212317453.db2.gz VQTBALCZRQUEAI-SFHVURJKSA-N 1 0 327.428 2.853 50 0 EFAARO O=C(C[NH+]1CCC(COCc2ccc(Cl)cc2)CC1)NC1CC1 ZINC000075156582 216589404 /nfs/dbraw/zinc/58/94/04/216589404.db2.gz WHVZORHAHHNFQY-UHFFFAOYSA-N 1 0 336.863 2.847 50 0 EFAARO COC[C@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000215086592 241104016 /nfs/dbraw/zinc/10/40/16/241104016.db2.gz GAVCKRDWPPAFSE-INIZCTEOSA-N 1 0 341.455 2.540 50 0 EFAARO c1ccc(-c2ncc(CN3CCN(c4cc[nH+]cc4)CC3)cn2)cc1 ZINC000215680185 241141294 /nfs/dbraw/zinc/14/12/94/241141294.db2.gz KYOGNTBOBJDHLV-UHFFFAOYSA-N 1 0 331.423 2.861 50 0 EFAARO COc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)cc1Cn1cncn1 ZINC000215810299 241148527 /nfs/dbraw/zinc/14/85/27/241148527.db2.gz CNTQBSIKRWHSOS-HNNXBMFYSA-N 1 0 337.427 2.923 50 0 EFAARO CCc1nn(C)c(Cl)c1CN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000216146098 241165942 /nfs/dbraw/zinc/16/59/42/241165942.db2.gz MUGGSUDFGMRIES-UHFFFAOYSA-N 1 0 333.867 2.662 50 0 EFAARO c1cc([C@@H]2CCCO2)sc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000216260227 241178576 /nfs/dbraw/zinc/17/85/76/241178576.db2.gz ZJGYYIKFNFVKAX-KRWDZBQOSA-N 1 0 336.501 2.896 50 0 EFAARO CCn1ccnc1C[NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000216710207 241204146 /nfs/dbraw/zinc/20/41/46/241204146.db2.gz AZUFNNXQZLRMQF-CQSZACIVSA-N 1 0 334.464 2.782 50 0 EFAARO O=C(NC[C@H](CO)Cc1ccsc1)c1cccc(-c2ncc[nH]2)c1 ZINC000216378057 241186960 /nfs/dbraw/zinc/18/69/60/241186960.db2.gz IBQVMULHUGDMOL-CQSZACIVSA-N 1 0 341.436 2.719 50 0 EFAARO COc1cccc(CN(C(=O)[C@@H]2C[NH2+]CCO2)C2CCCCCC2)c1 ZINC000216365870 241187233 /nfs/dbraw/zinc/18/72/33/241187233.db2.gz CAGWMAYHIUSJGW-IBGZPJMESA-N 1 0 346.471 2.735 50 0 EFAARO CC(=O)N1CCCN(Cc2cc(C[NH+]3CCCCC3)cs2)CC1 ZINC000216415344 241192828 /nfs/dbraw/zinc/19/28/28/241192828.db2.gz FJAOVIZJOAXLGA-UHFFFAOYSA-N 1 0 335.517 2.788 50 0 EFAARO CC(C)[N@@H+]1CC[C@@H](CN(C)C(=O)c2ccc(SCCO)cc2)C1 ZINC000216521864 241197993 /nfs/dbraw/zinc/19/79/93/241197993.db2.gz NRXKXOSGTQKRSB-HNNXBMFYSA-N 1 0 336.501 2.573 50 0 EFAARO O=C(NCC[NH+]1CCCCC1)c1cc(-n2cccn2)ccc1Cl ZINC000216519898 241199990 /nfs/dbraw/zinc/19/99/90/241199990.db2.gz RHTWCNATWJLUMV-UHFFFAOYSA-N 1 0 332.835 2.741 50 0 EFAARO c1nnc(C2CC[NH+](Cc3cnc(NCc4ccccc4)nc3)CC2)[nH]1 ZINC000215604993 241134359 /nfs/dbraw/zinc/13/43/59/241134359.db2.gz CICJHRATBFZQQB-UHFFFAOYSA-N 1 0 349.442 2.586 50 0 EFAARO Nc1nc(NCc2coc(-c3ccccc3)n2)cc(C2CC([NH3+])C2)n1 ZINC000219125084 241366473 /nfs/dbraw/zinc/36/64/73/241366473.db2.gz FDYRSXMXLBMLTN-UHFFFAOYSA-N 1 0 336.399 2.531 50 0 EFAARO Cc1ccc(CCC(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)cc1C ZINC000220118523 241428180 /nfs/dbraw/zinc/42/81/80/241428180.db2.gz KZYIEUKFIQZVDX-UHFFFAOYSA-N 1 0 344.499 2.685 50 0 EFAARO O=C(NCC1([NH+]2CCCC2)CCCC1)[C@H](O)c1ccc(Cl)cc1 ZINC000222845258 241567007 /nfs/dbraw/zinc/56/70/07/241567007.db2.gz FLPVDTDJWYRMFC-MRXNPFEDSA-N 1 0 336.863 2.898 50 0 EFAARO CO[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000222925795 241578839 /nfs/dbraw/zinc/57/88/39/241578839.db2.gz QPPFJGGPQROHNH-WOJBJXKFSA-N 1 0 330.472 2.538 50 0 EFAARO O=C(CC[NH+]1CCCCCCC1)NCc1ccc(-n2cncn2)cc1 ZINC000223186786 241612580 /nfs/dbraw/zinc/61/25/80/241612580.db2.gz LFJYQXMCSZHFRH-UHFFFAOYSA-N 1 0 341.459 2.540 50 0 EFAARO COc1ccc(CN(C)C(=O)CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000020999783 212199048 /nfs/dbraw/zinc/19/90/48/212199048.db2.gz YXHSLUYAGKCZOX-OAHLLOKOSA-N 1 0 334.460 2.784 50 0 EFAARO OCC[C@H]1CN(Cc2ccccn2)CC[N@@H+]1CCCc1ccccc1 ZINC000020996320 212196030 /nfs/dbraw/zinc/19/60/30/212196030.db2.gz SNKAJMOUNIEHKB-NRFANRHFSA-N 1 0 339.483 2.583 50 0 EFAARO CC(C)CC[N@@H+]1CCN(Cc2cccc(F)c2F)C[C@@H]1CCO ZINC000020910292 212186749 /nfs/dbraw/zinc/18/67/49/212186749.db2.gz WDPLJADGBZSYCY-INIZCTEOSA-N 1 0 326.431 2.880 50 0 EFAARO COCc1ccc(CN2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)o1 ZINC000020908821 212185713 /nfs/dbraw/zinc/18/57/13/212185713.db2.gz UCIBBXYOWYQOIB-SFHVURJKSA-N 1 0 343.471 2.960 50 0 EFAARO OCc1ccc(C[NH+]2CCC(n3cc(-c4ccsc4)nn3)CC2)o1 ZINC000020862393 212178760 /nfs/dbraw/zinc/17/87/60/212178760.db2.gz RREDDEAFNAXHMW-UHFFFAOYSA-N 1 0 344.440 2.929 50 0 EFAARO CC(=O)Nc1cccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCCO2)c1 ZINC000243893434 243029441 /nfs/dbraw/zinc/02/94/41/243029441.db2.gz ARCQHGNHCPKAJN-SFHVURJKSA-N 1 0 347.459 2.865 50 0 EFAARO COCc1nc(NCCc2nc(C)c(C)s2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000243900928 243029772 /nfs/dbraw/zinc/02/97/72/243029772.db2.gz AXPXSEFTRKLSDA-BETUJISGSA-N 1 0 347.488 2.556 50 0 EFAARO CC(=O)Nc1cccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCCO2)c1 ZINC000243893431 243030583 /nfs/dbraw/zinc/03/05/83/243030583.db2.gz ARCQHGNHCPKAJN-GOSISDBHSA-N 1 0 347.459 2.865 50 0 EFAARO Cc1nc(CC2CC[NH+](C[C@@H]3CC(c4ccccc4)=NO3)CC2)no1 ZINC000243902091 243032066 /nfs/dbraw/zinc/03/20/66/243032066.db2.gz BFVGMAXTSVNMGV-KRWDZBQOSA-N 1 0 340.427 2.826 50 0 EFAARO Cc1c2cc(Cl)ccc2[nH]c1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000244678415 243055483 /nfs/dbraw/zinc/05/54/83/243055483.db2.gz ICFSYCQRMUSYSZ-UHFFFAOYSA-N 1 0 349.862 2.970 50 0 EFAARO CCOc1cccc(OCC[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c1 ZINC000244700931 243059728 /nfs/dbraw/zinc/05/97/28/243059728.db2.gz JWRQEGRZALPNKG-UHFFFAOYSA-N 1 0 346.471 2.799 50 0 EFAARO O[C@H]1C[C@@H]([C@@H](NC2CC[NH+](C3CCCC3)CC2)c2ccccn2)C1 ZINC000244758121 243077302 /nfs/dbraw/zinc/07/73/02/243077302.db2.gz OSSOFUOOSBUHSI-MOXGXCLJSA-N 1 0 329.488 2.890 50 0 EFAARO COc1cc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)ccc1F ZINC000020780203 212171411 /nfs/dbraw/zinc/17/14/11/212171411.db2.gz TZIKDJSMOFUICX-KRWDZBQOSA-N 1 0 338.467 2.749 50 0 EFAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2nc(-c3ccncc3)no2)c1 ZINC000244817034 243085955 /nfs/dbraw/zinc/08/59/55/243085955.db2.gz STGCPZOFXDANTH-MRXNPFEDSA-N 1 0 338.415 2.773 50 0 EFAARO Cc1cc(=O)oc2c(C)c(OC[C@@H](O)C[NH2+]CCC(C)C)ccc12 ZINC000020761744 212170703 /nfs/dbraw/zinc/17/07/03/212170703.db2.gz KYFAUTCZWAAJGP-HNNXBMFYSA-N 1 0 333.428 2.785 50 0 biogenic EFAARO CSc1ccc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1 ZINC000020773998 212169424 /nfs/dbraw/zinc/16/94/24/212169424.db2.gz ZWWWZBQYYFRTGK-MRXNPFEDSA-N 1 0 344.484 2.910 50 0 EFAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000020707712 212162741 /nfs/dbraw/zinc/16/27/41/212162741.db2.gz UGRVQXUDVUKHDY-INIZCTEOSA-N 1 0 340.895 2.946 50 0 EFAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000020707474 212161384 /nfs/dbraw/zinc/16/13/84/212161384.db2.gz ZRONXEIICAPIIF-KRWDZBQOSA-N 1 0 340.895 2.634 50 0 EFAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)CC4OCCO4)[C@H]3C=C12 ZINC000020609765 212154680 /nfs/dbraw/zinc/15/46/80/212154680.db2.gz QITIRYHLULOZRG-CFGWQNJFSA-N 1 0 349.471 2.605 50 0 biogenic EFAARO Cc1ncsc1CCc1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000020568854 212147988 /nfs/dbraw/zinc/14/79/88/212147988.db2.gz QTBZUJXONZACBS-UHFFFAOYSA-N 1 0 341.440 2.636 50 0 EFAARO CCn1ncc(C[NH2+][C@H]2CCCN(Cc3cccc(OC)c3)C2)c1C ZINC000020449052 212130010 /nfs/dbraw/zinc/13/00/10/212130010.db2.gz XPQHFSYNJRHABK-IBGZPJMESA-N 1 0 342.487 2.974 50 0 EFAARO C[N@@H+]1CCN(Cc2cccc(Oc3ccccc3)c2)C[C@@H]1CCO ZINC000020449285 212129852 /nfs/dbraw/zinc/12/98/52/212129852.db2.gz QHQUVBBQQAHIMH-SFHVURJKSA-N 1 0 326.440 2.977 50 0 EFAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccc(C)cc2C)n1 ZINC000077137426 216844593 /nfs/dbraw/zinc/84/45/93/216844593.db2.gz RLFZZCCOBAAENZ-UHFFFAOYSA-N 1 0 327.432 2.676 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2c(F)ccc(F)c2F)C[C@@H]1CCO ZINC000020206770 212112387 /nfs/dbraw/zinc/11/23/87/212112387.db2.gz IGZZJLHJEGNRRM-ZDUSSCGKSA-N 1 0 330.394 2.629 50 0 EFAARO CN1CCC([NH2+][C@@H]2CC(=O)N(Cc3cccc4ccccc43)C2)CC1 ZINC000020206679 212112043 /nfs/dbraw/zinc/11/20/43/212112043.db2.gz RUWYMIZOHLURKZ-LJQANCHMSA-N 1 0 337.467 2.625 50 0 EFAARO Nc1ncccc1C[N@@H+]1CCC[C@@H](Cn2cc(-c3ccccc3)nn2)C1 ZINC000020149549 212106623 /nfs/dbraw/zinc/10/66/23/212106623.db2.gz MNFPUWYLTAAEGU-MRXNPFEDSA-N 1 0 348.454 2.835 50 0 EFAARO CN1CC[NH+](C2CCN(C(=O)c3cccc4ccccc43)CC2)CC1 ZINC000020130053 212104226 /nfs/dbraw/zinc/10/42/26/212104226.db2.gz RBRZAPPUTHPOSB-UHFFFAOYSA-N 1 0 337.467 2.692 50 0 EFAARO O[C@]1(C[NH+]2CCCCC2)CCN(Cc2cccc(OC(F)F)c2)C1 ZINC000077406821 216895991 /nfs/dbraw/zinc/89/59/91/216895991.db2.gz PDLDVDNQUHMSPR-SFHVURJKSA-N 1 0 340.414 2.711 50 0 EFAARO CCOc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCC ZINC000019872023 212077359 /nfs/dbraw/zinc/07/73/59/212077359.db2.gz IKFUJGQANBWGPM-UHFFFAOYSA-N 1 0 345.281 2.898 50 0 EFAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000019872108 212077008 /nfs/dbraw/zinc/07/70/08/212077008.db2.gz BGXAAVCLMBIUIZ-BFUOFWGJSA-N 1 0 331.412 2.924 50 0 EFAARO Cc1ncsc1CCC(=O)N1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000077457018 216908937 /nfs/dbraw/zinc/90/89/37/216908937.db2.gz ZKESLFFSGKNZBX-UHFFFAOYSA-N 1 0 344.484 2.745 50 0 EFAARO CCn1c2ccccc2c2cc(CNCC[NH2+]C[C@H](C)O)ccc21 ZINC000019872280 212077693 /nfs/dbraw/zinc/07/76/93/212077693.db2.gz OCJURGOCJPGPAO-HNNXBMFYSA-N 1 0 325.456 2.874 50 0 EFAARO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019790769 212067768 /nfs/dbraw/zinc/06/77/68/212067768.db2.gz CSOMHMHYUVRRBR-FQEVSTJZSA-N 1 0 340.467 2.865 50 0 EFAARO COc1cccc(CN2CC[NH+]([C@H]3CCCC[C@@H]3OC)CC2)c1OC ZINC000019788294 212066815 /nfs/dbraw/zinc/06/68/15/212066815.db2.gz GBGPSUOLCICWGQ-ROUUACIJSA-N 1 0 348.487 2.779 50 0 EFAARO COc1cc(OC)c(OC)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000019789266 212066163 /nfs/dbraw/zinc/06/61/63/212066163.db2.gz ZGEYFGQNGXQUQE-UHFFFAOYSA-N 1 0 334.460 2.773 50 0 EFAARO Cc1cccc(OCC(=O)N2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019789470 212066319 /nfs/dbraw/zinc/06/63/19/212066319.db2.gz HBIHYAVFDZDMPJ-QYZOEREBSA-N 1 0 340.467 2.730 50 0 EFAARO OCC[C@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000019641039 212052495 /nfs/dbraw/zinc/05/24/95/212052495.db2.gz QYGCDGCMPMNRFW-FQEVSTJZSA-N 1 0 328.431 2.895 50 0 EFAARO COc1ccc(OCC(=O)N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019556781 212042095 /nfs/dbraw/zinc/04/20/95/212042095.db2.gz KMMKMYRTVBSPHY-QGZVFWFLSA-N 1 0 344.455 2.575 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2n1CCOC ZINC000079338010 217210996 /nfs/dbraw/zinc/21/09/96/217210996.db2.gz HRPFDKPRRRUZGE-MRXNPFEDSA-N 1 0 329.444 2.502 50 0 EFAARO O=C(COc1ccc(F)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000015831626 211857619 /nfs/dbraw/zinc/85/76/19/211857619.db2.gz OUXQMOVVLSSSFK-INIZCTEOSA-N 1 0 332.375 2.751 50 0 EFAARO CCCCNC(=O)[C@H]1C[NH2+]C[C@@H](COc2ccc3c(c2)CCC3)C1 ZINC000014542925 211745276 /nfs/dbraw/zinc/74/52/76/211745276.db2.gz OESBYGJTEWJWHH-MAUKXSAKSA-N 1 0 330.472 2.696 50 0 EFAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000082127863 217472827 /nfs/dbraw/zinc/47/28/27/217472827.db2.gz JIJNTSWZQNHTDK-KRWDZBQOSA-N 1 0 334.423 2.955 50 0 EFAARO Cc1c(C(=O)N2CCCC[C@H]([NH3+])C2)[nH]nc1-c1ccc(Cl)cc1 ZINC000082097709 217464909 /nfs/dbraw/zinc/46/49/09/217464909.db2.gz BNOWDXFINVQITA-AWEZNQCLSA-N 1 0 332.835 2.992 50 0 EFAARO c1ccc(-c2nc(CC[NH2+][C@H]3CCOC4(CCOCC4)C3)no2)cc1 ZINC000082138279 217476577 /nfs/dbraw/zinc/47/65/77/217476577.db2.gz QGXXGTWTRIJKCK-INIZCTEOSA-N 1 0 343.427 2.597 50 0 EFAARO Clc1ccc(-c2ncc(CN3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)cn2)cc1 ZINC000426429104 247279153 /nfs/dbraw/zinc/27/91/53/247279153.db2.gz UKXCBUIQHHXXHC-USTZCAOPSA-N 1 0 340.858 2.979 50 0 EFAARO C[NH2+]Cc1nnc(SC[C@H]2CCCOC2)n1-c1cccc(OC)c1 ZINC000426471347 247283160 /nfs/dbraw/zinc/28/31/60/247283160.db2.gz KZCLJTMVCGNYCQ-ZDUSSCGKSA-N 1 0 348.472 2.514 50 0 EFAARO COC[C@H](c1ccccn1)N(C)C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000426478064 247286244 /nfs/dbraw/zinc/28/62/44/247286244.db2.gz SQWUJUNJNKNLBU-GOSISDBHSA-N 1 0 348.491 2.531 50 0 EFAARO COCc1nc(C)c(CNC(=O)c2cccc(C[NH+](C)C)c2)s1 ZINC000426493205 247286592 /nfs/dbraw/zinc/28/65/92/247286592.db2.gz OVFYZENGYDEHOY-UHFFFAOYSA-N 1 0 333.457 2.590 50 0 EFAARO C[C@@H](CCC(=O)N1CC(c2nc3ccccc3[nH]2)C1)[NH+]1CCCC1 ZINC000426496633 247288738 /nfs/dbraw/zinc/28/87/38/247288738.db2.gz DWHRTZAKBBSOHC-AWEZNQCLSA-N 1 0 326.444 2.753 50 0 EFAARO CO[C@]12CC[N@H+](Cc3nc(C)c(C)n3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426562993 247291485 /nfs/dbraw/zinc/29/14/85/247291485.db2.gz MQYYLSHKYMJTGB-WSTZPKSXSA-N 1 0 347.503 2.976 50 0 EFAARO C[NH2+]Cc1nnc(SC[C@@H]2CCCO2)n1-c1cccc(Cl)c1 ZINC000426376301 247271370 /nfs/dbraw/zinc/27/13/70/247271370.db2.gz JODSHLYSBKDYJK-ZDUSSCGKSA-N 1 0 338.864 2.911 50 0 EFAARO Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=[NH+][C@H]2[C@@H]1CC=CCC1 ZINC000010385403 291657407 /nfs/dbraw/zinc/65/74/07/291657407.db2.gz NDSXEAOGJROIBK-GDBMZVCRSA-N 1 0 327.432 2.674 50 0 EFAARO COc1ccc(CC[NH2+]Cc2ccc3c(c2)OCCO3)cc1OC ZINC000012854511 211469039 /nfs/dbraw/zinc/46/90/39/211469039.db2.gz CMKOPWJHTWAXFC-UHFFFAOYSA-N 1 0 329.396 2.807 50 0 EFAARO OCC1(CCOc2ccccc2)CC[NH+](CCCn2cccn2)CC1 ZINC000012745321 211443277 /nfs/dbraw/zinc/44/32/77/211443277.db2.gz GPNSLTYXGHEHOG-UHFFFAOYSA-N 1 0 343.471 2.817 50 0 EFAARO Cc1ncc(C[NH2+][C@H]2CC(=O)N(Cc3cccc4ccccc43)C2)n1C ZINC000012430916 211377811 /nfs/dbraw/zinc/37/78/11/211377811.db2.gz GECILACKQGQSFB-SFHVURJKSA-N 1 0 348.450 2.772 50 0 EFAARO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000012476553 211392534 /nfs/dbraw/zinc/39/25/34/211392534.db2.gz CHOGDYFZGQUIEO-FQEVSTJZSA-N 1 0 328.456 2.920 50 0 EFAARO CCc1ocnc1C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012475690 211392471 /nfs/dbraw/zinc/39/24/71/211392471.db2.gz QJPPMCFFFZNVKH-INIZCTEOSA-N 1 0 327.428 2.674 50 0 EFAARO Cc1cc(C)c(NC(=O)C(=O)NCC2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000012441410 211382933 /nfs/dbraw/zinc/38/29/33/211382933.db2.gz DTKZVEMIKDOZDR-UHFFFAOYSA-N 1 0 345.487 2.787 50 0 EFAARO CC(=O)N1CCC(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000012379383 211359841 /nfs/dbraw/zinc/35/98/41/211359841.db2.gz FYUMXIAZONPKHT-UHFFFAOYSA-N 1 0 343.471 2.870 50 0 EFAARO CCNC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000012387029 211364423 /nfs/dbraw/zinc/36/44/23/211364423.db2.gz ICFUQGWFYIKFOG-QGZVFWFLSA-N 1 0 333.476 2.611 50 0 EFAARO C[C@H](O)C[NH2+]Cc1ccc(OCc2ccc3c(c2)OCCO3)cc1 ZINC000012383517 211363610 /nfs/dbraw/zinc/36/36/10/211363610.db2.gz WAAVZSRHCGVNEU-AWEZNQCLSA-N 1 0 329.396 2.507 50 0 EFAARO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2F)CC1 ZINC000012382477 211362719 /nfs/dbraw/zinc/36/27/19/211362719.db2.gz ABBTZIDRXZQPFC-GFCCVEGCSA-N 1 0 326.387 2.721 50 0 EFAARO CC(C)(CO)[NH2+]Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000012381821 211362407 /nfs/dbraw/zinc/36/24/07/211362407.db2.gz FXPLJBZESBCMKA-UHFFFAOYSA-N 1 0 329.396 2.855 50 0 EFAARO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](C)CC1 ZINC000012380612 211361559 /nfs/dbraw/zinc/36/15/59/211361559.db2.gz YUJBDISQHQRHJN-SNVBAGLBSA-N 1 0 331.243 2.971 50 0 EFAARO COc1cccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1OC ZINC000012348467 211353778 /nfs/dbraw/zinc/35/37/78/211353778.db2.gz IFQOJHNDJIJYRJ-CQSZACIVSA-N 1 0 334.441 2.798 50 0 EFAARO Cc1ccc2nc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cn2c1 ZINC000012296885 211334895 /nfs/dbraw/zinc/33/48/95/211334895.db2.gz OFZKZJPIEJKBCO-DOTOQJQBSA-N 1 0 326.444 2.637 50 0 biogenic EFAARO O=C1C[C@H]([NH2+]Cc2ccncc2)CN1CCc1cccc(Cl)c1 ZINC000012304069 211340055 /nfs/dbraw/zinc/34/00/55/211340055.db2.gz OIBBFECEAKNHFV-KRWDZBQOSA-N 1 0 329.831 2.668 50 0 EFAARO Cc1ncc(C[NH2+][C@@H]2CC(=O)N(Cc3cccc4ccccc43)C2)[nH]1 ZINC000012302733 211339277 /nfs/dbraw/zinc/33/92/77/211339277.db2.gz CQOWXMZPZFKPDA-QGZVFWFLSA-N 1 0 334.423 2.762 50 0 EFAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)CCn2cccn2)c(F)c1 ZINC000012300289 211337786 /nfs/dbraw/zinc/33/77/86/211337786.db2.gz FKNFFRKIXCEALE-CYBMUJFWSA-N 1 0 343.406 2.989 50 0 EFAARO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](CCO)CC1 ZINC000012299550 211337570 /nfs/dbraw/zinc/33/75/70/211337570.db2.gz XDQXABOMLZXXDY-UHFFFAOYSA-N 1 0 325.836 2.520 50 0 EFAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000012196100 211317691 /nfs/dbraw/zinc/31/76/91/211317691.db2.gz GZEMIGFDEUKUOO-HNNXBMFYSA-N 1 0 330.359 2.587 50 0 EFAARO C[NH+](C)[C@@H](CNC(=O)CCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000012196273 211317469 /nfs/dbraw/zinc/31/74/69/211317469.db2.gz AXIXQOWHZPSKMT-KRWDZBQOSA-N 1 0 340.423 2.767 50 0 biogenic EFAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000012196097 211317197 /nfs/dbraw/zinc/31/71/97/211317197.db2.gz PMNHSSLNOYYEBG-OAHLLOKOSA-N 1 0 330.359 2.587 50 0 EFAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000012206744 211319981 /nfs/dbraw/zinc/31/99/81/211319981.db2.gz ZBEOIYWEIPIGHG-FQEVSTJZSA-N 1 0 347.455 2.803 50 0 EFAARO O=C1CC[C@@H](CC[NH2+]Cc2cccnc2)N1Cc1ccccc1F ZINC000012134902 211302193 /nfs/dbraw/zinc/30/21/93/211302193.db2.gz DNBGCZOFTVGQRW-KRWDZBQOSA-N 1 0 327.403 2.892 50 0 EFAARO OC1CC[NH+](Cc2ccc3c(c2)CN(Cc2ccco2)CCO3)CC1 ZINC000012121564 211299402 /nfs/dbraw/zinc/29/94/02/211299402.db2.gz ZYKONMAZVCEMKH-UHFFFAOYSA-N 1 0 342.439 2.631 50 0 EFAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1Cc1cccnc1 ZINC000012149316 211308295 /nfs/dbraw/zinc/30/82/95/211308295.db2.gz SKNRSPMSCLXHOA-QGZVFWFLSA-N 1 0 327.403 2.892 50 0 EFAARO Cn1cc(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)cn1 ZINC000012112043 211290802 /nfs/dbraw/zinc/29/08/02/211290802.db2.gz NJDJRSYXLWZIJN-UHFFFAOYSA-N 1 0 333.863 2.891 50 0 EFAARO CO[C@H]1CCCN(C(=O)C2([NH+]3CCCCC3)Cc3ccccc3C2)C1 ZINC000012093794 211289748 /nfs/dbraw/zinc/28/97/48/211289748.db2.gz FZIUQULYGWOWIF-IBGZPJMESA-N 1 0 342.483 2.647 50 0 EFAARO CC(C)CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 ZINC000012057004 211284246 /nfs/dbraw/zinc/28/42/46/211284246.db2.gz DEGIBWQHOTVXHO-OAHLLOKOSA-N 1 0 334.464 2.541 50 0 EFAARO CCN1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)CCC1=O ZINC000012041357 211282452 /nfs/dbraw/zinc/28/24/52/211282452.db2.gz URGYLSCJYCGNNW-UHFFFAOYSA-N 1 0 335.517 2.788 50 0 EFAARO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)cn1 ZINC000091493516 218014571 /nfs/dbraw/zinc/01/45/71/218014571.db2.gz DDZBAYWZYGXVFH-SFHVURJKSA-N 1 0 325.456 2.705 50 0 EFAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2cnccn2)C1 ZINC000012001557 211278326 /nfs/dbraw/zinc/27/83/26/211278326.db2.gz OYNKTBNTKSKQNX-IBGZPJMESA-N 1 0 338.455 2.532 50 0 EFAARO COCC[C@]1(O)CC[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1C ZINC000091381391 218000291 /nfs/dbraw/zinc/00/02/91/218000291.db2.gz FZMXQYOZOKHBKT-RHSMWYFYSA-N 1 0 327.852 2.828 50 0 EFAARO CNc1nc(NC[C@@H]2COc3cc(OC)ccc3C2)[nH+]c2c1CCC2 ZINC000091410879 218002173 /nfs/dbraw/zinc/00/21/73/218002173.db2.gz WKINOEKGAGYNSP-GFCCVEGCSA-N 1 0 340.427 2.679 50 0 EFAARO O=C(c1n[nH]c2ccccc21)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000011936441 211271448 /nfs/dbraw/zinc/27/14/48/211271448.db2.gz SFSSTOIPJYAXES-HXUWFJFHSA-N 1 0 338.455 2.901 50 0 EFAARO Cc1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000091441553 218006350 /nfs/dbraw/zinc/00/63/50/218006350.db2.gz UQRQBAKAQWFARC-LJQANCHMSA-N 1 0 330.476 2.865 50 0 EFAARO CC(C)c1nnsc1C[N@@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091452653 218009092 /nfs/dbraw/zinc/00/90/92/218009092.db2.gz HSSOUQYTVVRCHH-DYVFJYSZSA-N 1 0 339.505 2.661 50 0 EFAARO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CCCOc2ccc(F)cc2)C1 ZINC000091459243 218010062 /nfs/dbraw/zinc/01/00/62/218010062.db2.gz RJXUKKSHSKLRHX-NVXWUHKLSA-N 1 0 349.450 2.672 50 0 EFAARO Cn1cc(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(C)(C)C)C3)cn1 ZINC000011880059 211264952 /nfs/dbraw/zinc/26/49/52/211264952.db2.gz QMRJGZZWWNHCKV-FQEVSTJZSA-N 1 0 346.519 2.713 50 0 EFAARO Cn1cc(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](CC(C)(C)C)C3)cn1 ZINC000011880058 211264899 /nfs/dbraw/zinc/26/48/99/211264899.db2.gz QMRJGZZWWNHCKV-HXUWFJFHSA-N 1 0 346.519 2.713 50 0 EFAARO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)cc1O ZINC000091504166 218014076 /nfs/dbraw/zinc/01/40/76/218014076.db2.gz KDFFKBZMLAXQRL-DLBZAZTESA-N 1 0 344.455 2.624 50 0 EFAARO CCCc1cc(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)[nH]n1 ZINC000091624571 218033563 /nfs/dbraw/zinc/03/35/63/218033563.db2.gz LOTRJQTXGZZHEN-KRWDZBQOSA-N 1 0 340.471 2.972 50 0 EFAARO CC(C)=CC[NH+]1CCC(n2cc(C(=O)NC3CCCC3)nn2)CC1 ZINC000011813785 211250848 /nfs/dbraw/zinc/25/08/48/211250848.db2.gz SLHROERGVLFCRY-UHFFFAOYSA-N 1 0 331.464 2.554 50 0 EFAARO CN(Cc1nc(-c2ccccn2)no1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000011814707 211250869 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CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000011842286 211256782 /nfs/dbraw/zinc/25/67/82/211256782.db2.gz ZQIJEFBSKBFRKA-LJQANCHMSA-N 1 0 343.515 2.841 50 0 EFAARO CCCn1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c(C)n1 ZINC000011843423 211256209 /nfs/dbraw/zinc/25/62/09/211256209.db2.gz SWGCZXZGIOLDJT-HXUWFJFHSA-N 1 0 344.503 2.940 50 0 EFAARO CCC[NH+]1CCC(N2CCO[C@@H](Cc3cccc(OC)c3)C2)CC1 ZINC000011844020 211256297 /nfs/dbraw/zinc/25/62/97/211256297.db2.gz CFFZZMLKZKREGV-FQEVSTJZSA-N 1 0 332.488 2.813 50 0 EFAARO Cc1cc(C)n(-c2cccc(CN3CCO[C@@H](CC[NH+](C)C)C3)c2)n1 ZINC000011842049 211255127 /nfs/dbraw/zinc/25/51/27/211255127.db2.gz BAZSFEWFTWSRJM-FQEVSTJZSA-N 1 0 342.487 2.642 50 0 EFAARO CCN1CCN(C(=O)CCC2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000011840886 211253412 /nfs/dbraw/zinc/25/34/12/211253412.db2.gz IPQXSGNIYZQTIM-HXUWFJFHSA-N 1 0 347.547 2.999 50 0 EFAARO Fc1ccc(-n2ccnc2-c2cn(C3CC[NH2+]CC3)nn2)cc1Cl ZINC000091656578 218040607 /nfs/dbraw/zinc/04/06/07/218040607.db2.gz 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ZINC000011661886 211229819 /nfs/dbraw/zinc/22/98/19/211229819.db2.gz APIJGNNOCOSFBA-AWEZNQCLSA-N 1 0 332.444 2.672 50 0 EFAARO O=C1N(C2CCOCC2)CCC[C@]12CC[N@H+](CCc1ccccc1)C2 ZINC000091769365 218062340 /nfs/dbraw/zinc/06/23/40/218062340.db2.gz KUAQLPPOTMKDSJ-OAQYLSRUSA-N 1 0 342.483 2.723 50 0 EFAARO CSCCC[N@@H+]1C[C@H](NC(=O)c2cc(C3CC3)on2)[C@@H](C2CC2)C1 ZINC000091794378 218067229 /nfs/dbraw/zinc/06/72/29/218067229.db2.gz PDIOAJLKSVIMPX-ZBFHGGJFSA-N 1 0 349.500 2.745 50 0 EFAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCOC[C@@H](C[NH+](C)C)C1 ZINC000091914533 218088127 /nfs/dbraw/zinc/08/81/27/218088127.db2.gz DVIOBJLJOZWDNG-INIZCTEOSA-N 1 0 343.471 2.743 50 0 EFAARO CC(C)Cc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)n(C)n1 ZINC000091914659 218087738 /nfs/dbraw/zinc/08/77/38/218087738.db2.gz NIJWRWJVEUCVOZ-UHFFFAOYSA-N 1 0 332.492 2.709 50 0 EFAARO O=C(C1CCC1)N1CCC([N@@H+]2CCC[C@](CO)(CC3CC3)C2)CC1 ZINC000091985697 218098541 /nfs/dbraw/zinc/09/85/41/218098541.db2.gz QXJOBUUKNWEILD-FQEVSTJZSA-N 1 0 334.504 2.652 50 0 EFAARO CC(C)=CCC[NH+]1CCC(c2nnc(Cn3cccn3)n2C)CC1 ZINC000091997325 218100940 /nfs/dbraw/zinc/10/09/40/218100940.db2.gz CYJJTTIICSIPJR-UHFFFAOYSA-N 1 0 328.464 2.596 50 0 EFAARO CC1=C(c2ccccc2)[C@@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000092077616 218115835 /nfs/dbraw/zinc/11/58/35/218115835.db2.gz PPCIQLHGIRARCA-HXUWFJFHSA-N 1 0 340.467 2.661 50 0 EFAARO Cn1c(Cn2cccn2)nnc1[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000092065846 218112593 /nfs/dbraw/zinc/11/25/93/218112593.db2.gz SQSKNQNHDZEACW-MRXNPFEDSA-N 1 0 342.491 2.962 50 0 EFAARO COc1ccccc1OCC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000010018743 211140875 /nfs/dbraw/zinc/14/08/75/211140875.db2.gz BADWRWXJQAXCDW-MRXNPFEDSA-N 1 0 346.402 2.632 50 0 EFAARO COc1ccc(OCC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000010018746 211141037 /nfs/dbraw/zinc/14/10/37/211141037.db2.gz IIRCMDSWLCOMCK-SFHVURJKSA-N 1 0 346.402 2.632 50 0 EFAARO Cc1c(C)n(Cc2ccccn2)c2ncnc(NCCC[NH+](C)C)c12 ZINC000009422328 211083218 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O=C(COc1cccc(F)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095357012 218290980 /nfs/dbraw/zinc/29/09/80/218290980.db2.gz KBJROEMMGXTGOJ-SJLPKXTDSA-N 1 0 346.446 2.927 50 0 EFAARO CCc1csc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)n1 ZINC000095366366 218299386 /nfs/dbraw/zinc/29/93/86/218299386.db2.gz HGAMGEDFNXKSKC-ZDUSSCGKSA-N 1 0 333.457 2.827 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1nccc(C3CCCC3)n1)C2 ZINC000095366629 218299422 /nfs/dbraw/zinc/29/94/22/218299422.db2.gz DALZLOOGDBZUMV-NVXWUHKLSA-N 1 0 330.476 2.681 50 0 EFAARO CC(C)c1noc(CCNC(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000095368313 218300641 /nfs/dbraw/zinc/30/06/41/218300641.db2.gz YCGCRWQQMQFVQB-AWEZNQCLSA-N 1 0 334.464 2.506 50 0 EFAARO O=C(NC[C@@H](O)c1cccc(O)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095363261 218296049 /nfs/dbraw/zinc/29/60/49/218296049.db2.gz UPLSVQWXSHVUAY-LJQANCHMSA-N 1 0 346.471 2.587 50 0 EFAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000095365803 218298073 /nfs/dbraw/zinc/29/80/73/218298073.db2.gz MAJJYEJJDLOMQJ-QZTJIDSGSA-N 1 0 332.444 2.662 50 0 EFAARO CC(C)[C@@H]1CN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C[C@H]1[NH+](C)C ZINC000095375346 218307267 /nfs/dbraw/zinc/30/72/67/218307267.db2.gz YQRKLIDLLQCBJK-WMLDXEAASA-N 1 0 346.450 2.679 50 0 EFAARO C[C@@H](Cc1cnccn1)[NH2+]C1CCN(c2nc3ccccc3o2)CC1 ZINC000095374377 218307376 /nfs/dbraw/zinc/30/73/76/218307376.db2.gz KJGMJXAOAPRZDX-AWEZNQCLSA-N 1 0 337.427 2.807 50 0 EFAARO CC[NH+]1CCC(CC(=O)N2CCCN(c3ccccc3)CC2)CC1 ZINC000095375075 218308049 /nfs/dbraw/zinc/30/80/49/218308049.db2.gz CKPISPMDZHFCHQ-UHFFFAOYSA-N 1 0 329.488 2.847 50 0 EFAARO COc1ccc(C(=O)N2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)c(F)c1F ZINC000095374985 218308256 /nfs/dbraw/zinc/30/82/56/218308256.db2.gz RVWPUJZANZUYIE-QWHCGFSZSA-N 1 0 326.387 2.632 50 0 EFAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000095368805 218301430 /nfs/dbraw/zinc/30/14/30/218301430.db2.gz NGPNFQXAGXPBIW-KRWDZBQOSA-N 1 0 334.435 2.510 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc2c(c1)OCCCO2 ZINC000095370262 218302286 /nfs/dbraw/zinc/30/22/86/218302286.db2.gz CULBNQKXJSYVSQ-INIZCTEOSA-N 1 0 332.444 2.729 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000095370659 218302350 /nfs/dbraw/zinc/30/23/50/218302350.db2.gz LBGTZQRJGPSZRP-GOSISDBHSA-N 1 0 330.472 2.761 50 0 EFAARO O=c1cc(C[NH2+]CCCOc2cccnc2)[nH]c2ccc(F)cc12 ZINC000095369639 218302743 /nfs/dbraw/zinc/30/27/43/218302743.db2.gz LETBWDWZFLFXEO-UHFFFAOYSA-N 1 0 327.359 2.621 50 0 EFAARO Nc1cc(N2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)ncn1 ZINC000095373830 218306033 /nfs/dbraw/zinc/30/60/33/218306033.db2.gz BGXOEOWHDVQKFN-HXUWFJFHSA-N 1 0 337.471 2.941 50 0 EFAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccc1OCCO)C2 ZINC000095375923 218309371 /nfs/dbraw/zinc/30/93/71/218309371.db2.gz NSOWLHQSJHWXQQ-AZUAARDMSA-N 1 0 344.499 2.920 50 0 EFAARO COc1cccc2ccc(N3CCC([N@@H+]4CCC[C@@H](O)C4)CC3)nc21 ZINC000095379925 218312129 /nfs/dbraw/zinc/31/21/29/218312129.db2.gz 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CO[C@]12CC[N@H+](CCc3nc4c(ccc(C)c4C)[nH]3)[C@H]1C[C@H](O)CC2 ZINC000299758580 258076070 /nfs/dbraw/zinc/07/60/70/258076070.db2.gz KMFAZQWKAZIVTG-OXFYSEKESA-N 1 0 343.471 2.727 50 0 EFAARO COc1cccc2ccc(C[N@@H+]3CC[C@]4(OC)CC[C@H](O)C[C@H]34)nc21 ZINC000299760791 258078050 /nfs/dbraw/zinc/07/80/50/258078050.db2.gz KDIINWFPJPPITN-XKGZKEIXSA-N 1 0 342.439 2.748 50 0 EFAARO O=C(CSCC[NH+]1CCCC1)NCc1cnc2ccccc2c1 ZINC000299764768 258080344 /nfs/dbraw/zinc/08/03/44/258080344.db2.gz LBGAFDOEVRQXGA-UHFFFAOYSA-N 1 0 329.469 2.680 50 0 EFAARO Cc1cccc(N2CCN(C(=O)CC[NH+]3CCCCCCC3)CC2)n1 ZINC000055167301 132194455 /nfs/dbraw/zinc/19/44/55/132194455.db2.gz PPFHIJGNLGPRAK-UHFFFAOYSA-N 1 0 344.503 2.695 50 0 EFAARO NC(=O)CC[NH2+]C1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1 ZINC000019114151 135713937 /nfs/dbraw/zinc/71/39/37/135713937.db2.gz SLWXMYYJWAYQGF-UHFFFAOYSA-N 1 0 341.430 2.927 50 0 EFAARO COCCCN1C(=O)CC[C@H]2C[N@H+](C3Cc4ccccc4C3)CC[C@H]21 ZINC000072430802 292347567 /nfs/dbraw/zinc/34/75/67/292347567.db2.gz 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ZINC000095513334 275017031 /nfs/dbraw/zinc/01/70/31/275017031.db2.gz JLPYMLYQKVSSHF-INIZCTEOSA-N 1 0 328.456 2.715 50 0 EFAARO O[C@H]1Cc2ccccc2C12CC[NH+](C1CSCCSC1)CC2 ZINC000072159200 275059275 /nfs/dbraw/zinc/05/92/75/275059275.db2.gz PKGUCHNQSKEKPR-KRWDZBQOSA-N 1 0 335.538 2.786 50 0 EFAARO CC[NH+](CC)CCNC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000005894812 276098800 /nfs/dbraw/zinc/09/88/00/276098800.db2.gz GSFPWUQTZUUBGX-UHFFFAOYSA-N 1 0 342.365 2.513 50 0 EFAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCc2ccc3c(c2)nc(C)n3C)C1 ZINC000095357893 276175507 /nfs/dbraw/zinc/17/55/07/276175507.db2.gz RMVCHHNCYXNTFK-LJQANCHMSA-N 1 0 328.460 2.620 50 0 EFAARO CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000039333810 277070360 /nfs/dbraw/zinc/07/03/60/277070360.db2.gz GWTINWHKJSKKAE-QGZVFWFLSA-N 1 0 329.444 2.782 50 0 EFAARO CS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@@H]1[NH+]1CCCCC1 ZINC000004958062 278114962 /nfs/dbraw/zinc/11/49/62/278114962.db2.gz JQILUMBUNLQQNH-ROUUACIJSA-N 1 0 330.453 2.971 50 0 EFAARO C[C@@H](C(=O)NCc1nc2cc(F)ccc2[nH]1)[N@H+](C)C1CCCCC1 ZINC000299763358 278209180 /nfs/dbraw/zinc/20/91/80/278209180.db2.gz ZQKHCOIDDAXULZ-LBPRGKRZSA-N 1 0 332.423 2.971 50 0 EFAARO CC(C)C/C=C(\C[NH+]1CCC2(CC1)NCCNC2=O)c1ccccc1 ZINC000067740813 278697334 /nfs/dbraw/zinc/69/73/34/278697334.db2.gz XGMYZUALIOQOED-DJKKODMXSA-N 1 0 341.499 2.670 50 0 EFAARO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091830519 279054648 /nfs/dbraw/zinc/05/46/48/279054648.db2.gz STIAOOZQBQASGK-LJQANCHMSA-N 1 0 330.476 2.784 50 0 EFAARO Cc1c(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)c(=O)n(C)c(=O)n1C ZINC000065395693 280195217 /nfs/dbraw/zinc/19/52/17/280195217.db2.gz PVJLYFZTFFQTAB-CQSZACIVSA-N 1 0 341.455 2.606 50 0 EFAARO O=C1C[C@@H]([NH2+]C23CC4CC(CC(C4)C2)C3)C(=O)N1Cc1ccccc1 ZINC000004248302 280268776 /nfs/dbraw/zinc/26/87/76/280268776.db2.gz AOWIGSJRJXBRAZ-IGDKPHCXSA-N 1 0 338.451 2.873 50 0 EFAARO Cc1ccc(-c2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3[NH3+])[nH]n2)s1 ZINC000097087804 280718330 /nfs/dbraw/zinc/71/83/30/280718330.db2.gz IZRHEDFGHUPBBM-YOEHRIQHSA-N 1 0 338.436 2.801 50 0 EFAARO Cc1ccc([C@@H]2[NH+]=C(N3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009287494 280969044 /nfs/dbraw/zinc/96/90/44/280969044.db2.gz FXWPYFIIACGHGL-QGZVFWFLSA-N 1 0 337.427 2.674 50 0 EFAARO Cc1cccc(C)c1NC(=O)N[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000072132053 281208699 /nfs/dbraw/zinc/20/86/99/281208699.db2.gz ZBSOQJRBOUMJQQ-KRWDZBQOSA-N 1 0 344.503 2.984 50 0 EFAARO Cc1cn2c(C[NH2+][C@H]3CCc4nnc(C(C)C)n4C3)c(C)nc2s1 ZINC000097199469 281528112 /nfs/dbraw/zinc/52/81/12/281528112.db2.gz VBUTWDFEGXCOLO-ZDUSSCGKSA-N 1 0 344.488 2.832 50 0 EFAARO C[NH+](C)[C@H]1CCCCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000082157398 289367784 /nfs/dbraw/zinc/36/77/84/289367784.db2.gz HAIIFPFBHGOQPO-SFHVURJKSA-N 1 0 348.462 2.817 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000091624837 292980376 /nfs/dbraw/zinc/98/03/76/292980376.db2.gz FZVWWKNKMZRGHK-UHFFFAOYSA-N 1 0 337.349 2.916 50 0 EFAARO Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000020762382 295360183 /nfs/dbraw/zinc/36/01/83/295360183.db2.gz WETNHZVOLPIATI-QAPCUYQASA-N 1 0 339.487 2.699 50 0 biogenic EFAARO Cc1ccccc1CN(CC[NH+](C)C)C(=O)c1ncc(F)cc1F ZINC000055344423 302098689 /nfs/dbraw/zinc/09/86/89/302098689.db2.gz JPRAHHDBPNJKKA-UHFFFAOYSA-N 1 0 333.382 2.872 50 0 EFAARO Cc1cc(C)nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000302782226 311200984 /nfs/dbraw/zinc/20/09/84/311200984.db2.gz KDSAPFYHSGRYOV-GOSISDBHSA-N 1 0 326.444 2.796 50 0 EFAARO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)C1 ZINC000333288323 311595215 /nfs/dbraw/zinc/59/52/15/311595215.db2.gz NYQOWKDRXNBBCN-OCCSQVGLSA-N 1 0 342.892 2.689 50 0 EFAARO O[C@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1ccccc1Cl ZINC000005685434 323210478 /nfs/dbraw/zinc/21/04/78/323210478.db2.gz UZEMNULQSDGRJD-ZIAGYGMSSA-N 1 0 349.814 2.509 50 0 EFAARO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NCCC[NH+](C)C ZINC000095475171 473211713 /nfs/dbraw/zinc/21/17/13/473211713.db2.gz RIYSOOLNQOLGHB-UHFFFAOYSA-N 1 0 334.851 2.649 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(ccn2CCOC)c1 ZINC000095480763 473212563 /nfs/dbraw/zinc/21/25/63/473212563.db2.gz VANFDDMCCZZQKT-QGZVFWFLSA-N 1 0 329.444 2.502 50 0 EFAARO Cn1cnnc1C1CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095497912 473213825 /nfs/dbraw/zinc/21/38/25/473213825.db2.gz DLEUBTDOWVBLDE-OAHLLOKOSA-N 1 0 326.444 2.636 50 0 EFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1cc(-c2ccccc2F)no1 ZINC000095501151 473214451 /nfs/dbraw/zinc/21/44/51/473214451.db2.gz QMDGNHLWPCZQBZ-QGZVFWFLSA-N 1 0 331.391 2.971 50 0 EFAARO O=C(Nc1ccc(Cl)nc1)N1CCC([NH+]2CCSCC2)CC1 ZINC000095502889 473214965 /nfs/dbraw/zinc/21/49/65/473214965.db2.gz XHCXAQIOVJRKKD-UHFFFAOYSA-N 1 0 340.880 2.780 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(c2ncccc2Cl)C1 ZINC000095507101 473215343 /nfs/dbraw/zinc/21/53/43/473215343.db2.gz ZQHMWPZZTGLGTO-AWEZNQCLSA-N 1 0 333.867 2.877 50 0 EFAARO c1ccc(CN2CC[NH+](C[C@@H]3CCOc4ccccc4C3)CC2)nc1 ZINC000095509532 473216686 /nfs/dbraw/zinc/21/66/86/473216686.db2.gz SDMJZZKZJHJLFM-GOSISDBHSA-N 1 0 337.467 2.841 50 0 EFAARO c1ccc(CN2CC[NH+](C[C@H]3CCOc4ccccc4C3)CC2)nc1 ZINC000095509533 473216738 /nfs/dbraw/zinc/21/67/38/473216738.db2.gz SDMJZZKZJHJLFM-SFHVURJKSA-N 1 0 337.467 2.841 50 0 EFAARO O=C(Nc1cccnc1Cl)N1CC[NH+](C2CCSCC2)CC1 ZINC000095512029 473217771 /nfs/dbraw/zinc/21/77/71/473217771.db2.gz PSSSYCCSTFANKE-UHFFFAOYSA-N 1 0 340.880 2.780 50 0 EFAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000095520064 473218435 /nfs/dbraw/zinc/21/84/35/473218435.db2.gz JBMAKBYUAPLENX-GOSISDBHSA-N 1 0 340.471 2.855 50 0 EFAARO Cc1ccc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)nc1 ZINC000095518747 473218619 /nfs/dbraw/zinc/21/86/19/473218619.db2.gz SUGZEXUOPYELQY-UHFFFAOYSA-N 1 0 327.476 2.922 50 0 EFAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000095520065 473218862 /nfs/dbraw/zinc/21/88/62/473218862.db2.gz JBMAKBYUAPLENX-SFHVURJKSA-N 1 0 340.471 2.855 50 0 EFAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCc2noc(C3CCCC3)n2)C1 ZINC000095522829 473220135 /nfs/dbraw/zinc/22/01/35/473220135.db2.gz ZJMJOXJVFMOZFI-OAHLLOKOSA-N 1 0 334.464 2.506 50 0 EFAARO CCCOC[C@@H]1CC[N@@H+](C2CCN(c3nc(C)cc(C)n3)CC2)C1 ZINC000095524897 473220536 /nfs/dbraw/zinc/22/05/36/473220536.db2.gz FYEHERRFFNJONJ-QGZVFWFLSA-N 1 0 332.492 2.811 50 0 EFAARO COCCCCN1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095528316 473220936 /nfs/dbraw/zinc/22/09/36/473220936.db2.gz HYSVWEJZWHCSKM-SFHVURJKSA-N 1 0 332.488 2.672 50 0 EFAARO Cc1cc(-c2ccccc2)nc(CN2CC3(CC[NH2+]CC3)OC2=O)n1 ZINC000095529413 473221365 /nfs/dbraw/zinc/22/13/65/473221365.db2.gz ZJOKIRGIUKBXMY-UHFFFAOYSA-N 1 0 338.411 2.526 50 0 EFAARO Cc1c[nH]c(C(=O)N(CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000095529775 473221399 /nfs/dbraw/zinc/22/13/99/473221399.db2.gz IWIKEWNTMMJVJG-GOSISDBHSA-N 1 0 340.471 2.745 50 0 EFAARO C[C@H](O)c1cccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000095530452 473222799 /nfs/dbraw/zinc/22/27/99/473222799.db2.gz CCIPODQLAQRISF-HNNXBMFYSA-N 1 0 329.419 2.986 50 0 EFAARO O=C(NCCCn1cc(Cl)cn1)c1ccc(C[NH+]2CCCC2)o1 ZINC000141122167 473251390 /nfs/dbraw/zinc/25/13/90/473251390.db2.gz SLTXEECFSHACQF-UHFFFAOYSA-N 1 0 336.823 2.545 50 0 EFAARO CCC(CO)(CO)[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000096026378 473257691 /nfs/dbraw/zinc/25/76/91/473257691.db2.gz AOKYIXJKCWGFFD-UHFFFAOYSA-N 1 0 329.440 2.516 50 0 EFAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000184892237 473265269 /nfs/dbraw/zinc/26/52/69/473265269.db2.gz ATXLASYOFMAYQQ-SFHVURJKSA-N 1 0 345.487 2.554 50 0 EFAARO Cn1ccnc1-c1ccccc1C(=O)N1CCCC[C@H]([NH+](C)C)C1 ZINC000082091248 473285577 /nfs/dbraw/zinc/28/55/77/473285577.db2.gz KWHNTKGKOHNRBS-HNNXBMFYSA-N 1 0 326.444 2.643 50 0 EFAARO c1sc(N2CCCC2)nc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082091317 473285861 /nfs/dbraw/zinc/28/58/61/473285861.db2.gz JFWVEHQFFYNJDX-AWEZNQCLSA-N 1 0 337.489 2.561 50 0 EFAARO CSc1ncccc1C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000082086626 473286081 /nfs/dbraw/zinc/28/60/81/473286081.db2.gz NAZGZQOOLFJPDR-UHFFFAOYSA-N 1 0 342.468 2.859 50 0 EFAARO Cc1c(C(=O)N2CCCC[C@@H]([NH3+])C2)[nH]nc1-c1ccc(Cl)cc1 ZINC000082097710 473287152 /nfs/dbraw/zinc/28/71/52/473287152.db2.gz BNOWDXFINVQITA-CQSZACIVSA-N 1 0 332.835 2.992 50 0 EFAARO [NH3+][C@H](C(=O)N1CCC(c2nccn2CC2CC2)CC1)c1ccccc1 ZINC000082097553 473288102 /nfs/dbraw/zinc/28/81/02/473288102.db2.gz FVTQFZCNIHNVRU-SFHVURJKSA-N 1 0 338.455 2.699 50 0 EFAARO Cc1cccc(C)c1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082107225 473289073 /nfs/dbraw/zinc/28/90/73/473289073.db2.gz PFJHCKBGHVHFAG-OAQYLSRUSA-N 1 0 344.499 2.890 50 0 EFAARO Cc1ccc2[nH]c(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)nc2c1C ZINC000082109705 473290326 /nfs/dbraw/zinc/29/03/26/473290326.db2.gz LWJSOUVJVPKNEB-OAHLLOKOSA-N 1 0 329.444 2.998 50 0 EFAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)Nc1ccccc1-c1ccccc1 ZINC000082145640 473295552 /nfs/dbraw/zinc/29/55/52/473295552.db2.gz JUDGEYIXVBBEDL-UHFFFAOYSA-N 1 0 347.422 2.975 50 0 EFAARO Cc1nccn1[C@@H](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000082161280 473297614 /nfs/dbraw/zinc/29/76/14/473297614.db2.gz DGIOMEZVSNFYMF-INIZCTEOSA-N 1 0 341.459 2.503 50 0 EFAARO O=C(NCCC[N@H+]1CCCC[C@H]1CO)Nc1ccc2cccnc2c1 ZINC000096132284 473309022 /nfs/dbraw/zinc/30/90/22/473309022.db2.gz RHYRFFMWXMVOEC-KRWDZBQOSA-N 1 0 342.443 2.593 50 0 EFAARO O=C(NCCC[N@H+]1CCCC[C@@H]1CO)Nc1ccc2cccnc2c1 ZINC000096132283 473310167 /nfs/dbraw/zinc/31/01/67/473310167.db2.gz RHYRFFMWXMVOEC-QGZVFWFLSA-N 1 0 342.443 2.593 50 0 EFAARO CC1(C(=O)NCCc2ccccc2OC(F)(F)F)CC[NH2+]CC1 ZINC000096138597 473311433 /nfs/dbraw/zinc/31/14/33/473311433.db2.gz IKQXPNOPSPOMRE-UHFFFAOYSA-N 1 0 330.350 2.634 50 0 EFAARO C=Cc1ccc(NC(=O)N2CCC3(CC2)C[N@@H+](C)CCN3C)cc1 ZINC000096150977 473314897 /nfs/dbraw/zinc/31/48/97/473314897.db2.gz GMMUSWWVQQYBSK-UHFFFAOYSA-N 1 0 328.460 2.573 50 0 EFAARO COCc1ccc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)o1 ZINC000096140235 473312601 /nfs/dbraw/zinc/31/26/01/473312601.db2.gz HEMKCQZPRLOGLK-UHFFFAOYSA-N 1 0 338.473 2.516 50 0 EFAARO Cc1nc(-c2nc([C@@H]3C[NH2+]CCO3)n(C3CCCCC3)n2)cs1 ZINC000096140348 473313462 /nfs/dbraw/zinc/31/34/62/473313462.db2.gz ZVDQZQZOPURYJE-AWEZNQCLSA-N 1 0 333.461 2.876 50 0 EFAARO Clc1cnc(N2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000096139812 473313559 /nfs/dbraw/zinc/31/35/59/473313559.db2.gz RVVDOIKPPRBJJN-UHFFFAOYSA-N 1 0 330.259 2.937 50 0 EFAARO Cc1cc(C(F)(F)F)nc(N2CCN(c3cc[nH+]c(C)c3)CC2)n1 ZINC000096164169 473321812 /nfs/dbraw/zinc/32/18/12/473321812.db2.gz IYKAMFJJLIATQK-UHFFFAOYSA-N 1 0 337.349 2.834 50 0 EFAARO COCCOc1cccc(NC(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000096165906 473322047 /nfs/dbraw/zinc/32/20/47/473322047.db2.gz WOCJUAHRXJTDID-OAHLLOKOSA-N 1 0 347.459 2.802 50 0 EFAARO CSc1ccc(NC(=O)N2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000096180576 473322828 /nfs/dbraw/zinc/32/28/28/473322828.db2.gz VFBQYFKJECGHAQ-IRXDYDNUSA-N 1 0 349.500 2.862 50 0 EFAARO C[N@H+](CCO)C1CCN(C(=O)NCc2ccc(C(C)(C)C)cc2)CC1 ZINC000162609575 473361915 /nfs/dbraw/zinc/36/19/15/473361915.db2.gz DMAUTOPRUCEMLE-UHFFFAOYSA-N 1 0 347.503 2.582 50 0 EFAARO CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCC[N@H+]2CC)c1O ZINC000000001395 471317583 /nfs/dbraw/zinc/31/75/83/471317583.db2.gz AADCDMQTJNYOSS-LBPRGKRZSA-N 1 0 340.851 2.831 50 0 world EFAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000000176571 471331058 /nfs/dbraw/zinc/33/10/58/471331058.db2.gz WNESZXKWXXPKIR-ZDUSSCGKSA-N 1 0 338.835 2.944 50 0 EFAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000000178171 471331368 /nfs/dbraw/zinc/33/13/68/471331368.db2.gz HQOMKYWUOQWZJM-UHFFFAOYSA-N 1 0 332.444 2.907 50 0 EFAARO COc1cccc([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c1OC ZINC000000188138 471332775 /nfs/dbraw/zinc/33/27/75/471332775.db2.gz BMPGEMONJGBRMN-GOSISDBHSA-N 1 0 329.396 2.956 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1OC ZINC000000212857 471335953 /nfs/dbraw/zinc/33/59/53/471335953.db2.gz ZGLRROFWFAWUDX-KRWDZBQOSA-N 1 0 346.471 2.928 50 0 EFAARO CCOc1cc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)ccc1O ZINC000000236111 471338482 /nfs/dbraw/zinc/33/84/82/471338482.db2.gz UGFCZANNSOJMMA-UHFFFAOYSA-N 1 0 334.460 2.775 50 0 EFAARO CCN1CCN(C(=O)C2CC[NH+](C[C@@H](C)c3ccccc3)CC2)CC1 ZINC000000299497 471345091 /nfs/dbraw/zinc/34/50/91/471345091.db2.gz CIGSFBVXRXZULC-GOSISDBHSA-N 1 0 343.515 2.666 50 0 EFAARO C[C@H]1CCC[N@@H+](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000000316795 471347103 /nfs/dbraw/zinc/34/71/03/471347103.db2.gz NCKBIZMIBDFKBV-AWEZNQCLSA-N 1 0 340.464 2.711 50 0 EFAARO Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000000409039 471354790 /nfs/dbraw/zinc/35/47/90/471354790.db2.gz ALNWIKNURMSHHD-UHFFFAOYSA-N 1 0 344.480 2.938 50 0 EFAARO C[NH+](C)CCSc1nc2sc3c(c2c(N)n1)CC(C)(C)OC3 ZINC000000534356 471369248 /nfs/dbraw/zinc/36/92/48/471369248.db2.gz JDIXJTOGZIFVTO-UHFFFAOYSA-N 1 0 338.502 2.779 50 0 EFAARO CC(C)CC(=O)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000000549193 471370744 /nfs/dbraw/zinc/37/07/44/471370744.db2.gz 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/nfs/dbraw/zinc/82/59/66/471825966.db2.gz OUFSSKMRTZBIIU-UHFFFAOYSA-N 1 0 331.243 2.926 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@H]([NH+]3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 ZINC000013404080 471829014 /nfs/dbraw/zinc/82/90/14/471829014.db2.gz OUXYCWKAVWSYKK-CPUCHLNUSA-N 1 0 330.428 2.695 50 0 EFAARO COc1ccc(OCC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000013452189 471829359 /nfs/dbraw/zinc/82/93/59/471829359.db2.gz DCEJGNKTFDWSHB-UHFFFAOYSA-N 1 0 332.444 2.551 50 0 EFAARO COc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000013669776 471837489 /nfs/dbraw/zinc/83/74/89/471837489.db2.gz HWAGRTXGUAYNPA-HUUCEWRRSA-N 1 0 334.460 2.802 50 0 EFAARO CCCC[N@H+](C)[C@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 ZINC000014733256 471877726 /nfs/dbraw/zinc/87/77/26/471877726.db2.gz FHJUGWCAEXSXGZ-HNNXBMFYSA-N 1 0 334.508 2.830 50 0 EFAARO CCCC[N@H+](C)[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 ZINC000014733255 471877878 /nfs/dbraw/zinc/87/78/78/471877878.db2.gz FHJUGWCAEXSXGZ-OAHLLOKOSA-N 1 0 334.508 2.830 50 0 EFAARO O=C1CC[C@@H](CC[NH2+]Cc2cccnc2)N1CCc1ccccc1F ZINC000014884479 471880383 /nfs/dbraw/zinc/88/03/83/471880383.db2.gz XYFMMLQEHFMHNH-SFHVURJKSA-N 1 0 341.430 2.934 50 0 EFAARO O=C(CC[C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000014964021 471882896 /nfs/dbraw/zinc/88/28/96/471882896.db2.gz ZCLVGAPMPJWYCJ-LJQANCHMSA-N 1 0 330.472 2.580 50 0 EFAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]C1CCCCCC1 ZINC000014980999 471884446 /nfs/dbraw/zinc/88/44/46/471884446.db2.gz GDACGSKOGXGKMS-HXUWFJFHSA-N 1 0 348.462 2.992 50 0 EFAARO COc1ccc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1C ZINC000015001466 471885457 /nfs/dbraw/zinc/88/54/57/471885457.db2.gz ZLNBVIMGLUOPHK-QGZVFWFLSA-N 1 0 342.443 2.505 50 0 EFAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3c[nH]cn3)C2)cc1 ZINC000015063502 471887459 /nfs/dbraw/zinc/88/74/59/471887459.db2.gz QVMSLMHEKCLSDA-SFHVURJKSA-N 1 0 342.487 2.805 50 0 EFAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000015356889 471901612 /nfs/dbraw/zinc/90/16/12/471901612.db2.gz KDGVBCUKDIDRGP-INIZCTEOSA-N 1 0 329.396 2.855 50 0 EFAARO Cc1cc(Cl)ccc1-n1ncc2c1ncnc2N1CC[NH+](C)CC1 ZINC000015880918 471921183 /nfs/dbraw/zinc/92/11/83/471921183.db2.gz SQAIWLIRHFJIFB-UHFFFAOYSA-N 1 0 342.834 2.529 50 0 EFAARO CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC000016580559 471941710 /nfs/dbraw/zinc/94/17/10/471941710.db2.gz ARBFTMPJWIMYSL-LLVKDONJSA-N 1 0 328.815 2.847 50 0 EFAARO CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC000016580560 471942139 /nfs/dbraw/zinc/94/21/39/471942139.db2.gz ARBFTMPJWIMYSL-NSHDSACASA-N 1 0 328.815 2.847 50 0 EFAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccccc3)C2=O)cc1 ZINC000018122483 471970333 /nfs/dbraw/zinc/97/03/33/471970333.db2.gz WFINSIWOUKQTTG-SFHVURJKSA-N 1 0 338.407 2.897 50 0 EFAARO COC(=O)c1ccc(-c2nc3cc(C4=[NH+]CCCN4)ccc3[nH]2)cc1 ZINC000033559597 471985760 /nfs/dbraw/zinc/98/57/60/471985760.db2.gz BEJPQXQLCNAPOX-UHFFFAOYSA-N 1 0 334.379 2.756 50 0 EFAARO O[C@@H](COc1ccccc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020294028 471988069 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C[NH+]1CCN([C@@H](CNC(=O)C2CCCCC2)c2ccsc2)CC1 ZINC000022794292 472020926 /nfs/dbraw/zinc/02/09/26/472020926.db2.gz XQFNAHGMRIROAA-KRWDZBQOSA-N 1 0 335.517 2.733 50 0 EFAARO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000041625430 472074312 /nfs/dbraw/zinc/07/43/12/472074312.db2.gz CHXLPYXHHRXTSE-INIZCTEOSA-N 1 0 338.517 2.745 50 0 EFAARO CC[C@H]([NH2+]C1CSCCSC1)c1ccc(S(C)(=O)=O)cc1 ZINC000067983469 472118129 /nfs/dbraw/zinc/11/81/29/472118129.db2.gz JFYAGKUERSYUFP-HNNXBMFYSA-N 1 0 345.555 2.979 50 0 EFAARO COC(=O)c1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)s1 ZINC000042658990 472156713 /nfs/dbraw/zinc/15/67/13/472156713.db2.gz WIMUPCYFPWVWLK-UHFFFAOYSA-N 1 0 346.452 2.787 50 0 EFAARO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000055374399 472174458 /nfs/dbraw/zinc/17/44/58/472174458.db2.gz GWKOSVNUWISQIM-IAGOWNOFSA-N 1 0 336.501 2.880 50 0 EFAARO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000055414874 472183100 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Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2[nH]nc3c2CCC3)n1 ZINC000106708890 472882980 /nfs/dbraw/zinc/88/29/80/472882980.db2.gz INMSZRPQXQUPEU-GUYCJALGSA-N 1 0 326.448 2.961 50 0 EFAARO Cc1ccc(C)c(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000065363565 472927030 /nfs/dbraw/zinc/92/70/30/472927030.db2.gz MZCKBOGSUNJAFR-HZPDHXFCSA-N 1 0 338.517 2.950 50 0 EFAARO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1nc(-c3cccnc3)no1)CC2 ZINC000065371001 472928092 /nfs/dbraw/zinc/92/80/92/472928092.db2.gz SBFQHIWFSPPDPV-INIZCTEOSA-N 1 0 336.395 2.787 50 0 EFAARO CC1(C)CC([NH+]2CCN(c3ncccc3C(N)=O)CC2)CC(C)(C)C1 ZINC000065372238 472928331 /nfs/dbraw/zinc/92/83/31/472928331.db2.gz CMLQQTRLNIYPDI-UHFFFAOYSA-N 1 0 344.503 2.907 50 0 EFAARO CCOC(=O)N1CCC([NH2+]Cc2ccccc2-n2ccnc2C)CC1 ZINC000065373027 472928625 /nfs/dbraw/zinc/92/86/25/472928625.db2.gz BQEDLOVQJSMRSQ-UHFFFAOYSA-N 1 0 342.443 2.891 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000065383952 472930839 /nfs/dbraw/zinc/93/08/39/472930839.db2.gz WOIIFKFTZRGFBV-LJQANCHMSA-N 1 0 340.471 2.861 50 0 EFAARO Cc1cc(C[C@H](C)Nc2nc(CC[NH3+])nc3sc(C)c(C)c32)n[nH]1 ZINC000065395055 472932899 /nfs/dbraw/zinc/93/28/99/472932899.db2.gz LAEKGGWGDCDIJM-VIFPVBQESA-N 1 0 344.488 2.884 50 0 EFAARO COc1cccc(OC[C@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000065397726 472934081 /nfs/dbraw/zinc/93/40/81/472934081.db2.gz RYNXAEUDACMUPL-KRWDZBQOSA-N 1 0 346.471 2.797 50 0 EFAARO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccc(OCc2ccccn2)cc1 ZINC000065398542 472934135 /nfs/dbraw/zinc/93/41/35/472934135.db2.gz NLJMQCMKLPZYPA-MSOLQXFVSA-N 1 0 337.423 2.514 50 0 EFAARO CCn1ncnc1[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000065404845 472934912 /nfs/dbraw/zinc/93/49/12/472934912.db2.gz SPFSLKSFTPLQME-OAHLLOKOSA-N 1 0 341.459 2.775 50 0 EFAARO Cc1ccc(OC2(C(=O)N(C)C[C@H]3CCCCO3)CC[NH2+]CC2)cc1 ZINC000065405131 472935445 /nfs/dbraw/zinc/93/54/45/472935445.db2.gz HIIPHNZWZYTIRX-GOSISDBHSA-N 1 0 346.471 2.524 50 0 EFAARO CC[C@@H](O)Cn1cc(C2=CCN(CC[NH+]3CCCCCC3)CC2)cn1 ZINC000065425416 472939358 /nfs/dbraw/zinc/93/93/58/472939358.db2.gz NQPPUQLKSFJKNS-HXUWFJFHSA-N 1 0 346.519 2.619 50 0 EFAARO CC(=O)Nc1ccccc1NC(=O)C[NH2+][C@@H](C)Cc1ncccc1C ZINC000065425298 472939899 /nfs/dbraw/zinc/93/98/99/472939899.db2.gz WFNMFDHXLYOBMS-AWEZNQCLSA-N 1 0 340.427 2.508 50 0 EFAARO Cc1ccc(-n2nc(C3CC3)nc2CN2CC[C@H]([NH+](C)C)C2)cc1C ZINC000065431739 472941442 /nfs/dbraw/zinc/94/14/42/472941442.db2.gz PZPZGRGFOWINSC-SFHVURJKSA-N 1 0 339.487 2.897 50 0 EFAARO CCCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@@H]2C1CC[NH2+]CC1 ZINC000065455787 472945953 /nfs/dbraw/zinc/94/59/53/472945953.db2.gz SKOVTHMDMZBIRP-CYBMUJFWSA-N 1 0 345.443 2.859 50 0 EFAARO Cc1ccc([C@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)s1 ZINC000065476357 472951554 /nfs/dbraw/zinc/95/15/54/472951554.db2.gz SMRPNRRNBPCASQ-AWEZNQCLSA-N 1 0 334.489 2.786 50 0 EFAARO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000065477944 472953396 /nfs/dbraw/zinc/95/33/96/472953396.db2.gz ZZIQDQBOEYBTKD-SJORKVTESA-N 1 0 330.476 2.607 50 0 EFAARO CC(=O)N1CCC([NH+]2CCC([C@@H](O)CCc3ccccc3)CC2)CC1 ZINC000065491179 472954339 /nfs/dbraw/zinc/95/43/39/472954339.db2.gz HXCIYYWVCQFPFW-NRFANRHFSA-N 1 0 344.499 2.703 50 0 EFAARO Cc1nc2c(c(NCc3ccc4c(c3)C[C@H](C)O4)n1)CC[N@H+](C)CC2 ZINC000065508166 472959433 /nfs/dbraw/zinc/95/94/33/472959433.db2.gz AXVBRVJBNONXHL-ZDUSSCGKSA-N 1 0 338.455 2.751 50 0 EFAARO O=C(N[C@H](C1=CCC[N@@H+](CCCF)C1)C(F)(F)F)c1ccncc1 ZINC000065526808 472966651 /nfs/dbraw/zinc/96/66/51/472966651.db2.gz STCGAFUNXVJMAU-CQSZACIVSA-N 1 0 345.340 2.734 50 0 EFAARO O=C(N[C@@H](C1=CCC[N@@H+](CCCF)C1)C(F)(F)F)c1ccncc1 ZINC000065526807 472966668 /nfs/dbraw/zinc/96/66/68/472966668.db2.gz STCGAFUNXVJMAU-AWEZNQCLSA-N 1 0 345.340 2.734 50 0 EFAARO Cc1ccccc1-c1ncc(C[NH2+]CCSc2nnnn2C)s1 ZINC000065527776 472966752 /nfs/dbraw/zinc/96/67/52/472966752.db2.gz XXBWRFVGRJFFKG-UHFFFAOYSA-N 1 0 346.485 2.524 50 0 EFAARO COc1cccc(C[C@H](C)[NH2+]Cc2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000065527394 472966815 /nfs/dbraw/zinc/96/68/15/472966815.db2.gz KHKBKCDLQLJIDT-AWEZNQCLSA-N 1 0 339.439 2.606 50 0 EFAARO C[N@@H+](Cc1cccn1-c1ncccn1)C[C@@H]1COc2ccccc2O1 ZINC000065530162 472968287 /nfs/dbraw/zinc/96/82/87/472968287.db2.gz KSZRJHYQAFTNQR-MRXNPFEDSA-N 1 0 336.395 2.539 50 0 EFAARO O=C(c1cnccn1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065623740 472994676 /nfs/dbraw/zinc/99/46/76/472994676.db2.gz VQTCXFOWUHAMCB-MOPGFXCFSA-N 1 0 336.439 2.746 50 0 EFAARO COc1ccc(CNC(=O)C2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000092933272 473009297 /nfs/dbraw/zinc/00/92/97/473009297.db2.gz XUBJOUGUJGYEGO-UHFFFAOYSA-N 1 0 348.512 2.919 50 0 EFAARO Cc1noc2nc(C)nc(N3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)c12 ZINC000095370235 473192720 /nfs/dbraw/zinc/19/27/20/473192720.db2.gz RGBXXIFTKUGQAC-HUUCEWRRSA-N 1 0 327.432 2.545 50 0 EFAARO CN(C)[C@H](C(=O)NCc1ccccc1C[NH+](C)C)c1ccc(F)cc1 ZINC000095390117 473194401 /nfs/dbraw/zinc/19/44/01/473194401.db2.gz CSSHWMJOFKJYQH-IBGZPJMESA-N 1 0 343.446 2.806 50 0 EFAARO CC(C)n1cccc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000179331245 473674972 /nfs/dbraw/zinc/67/49/72/473674972.db2.gz RFZNJWCOUWBZBC-UHFFFAOYSA-N 1 0 326.444 2.858 50 0 EFAARO Cc1c[nH+]ccc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000192505266 473686520 /nfs/dbraw/zinc/68/65/20/473686520.db2.gz NUODUTJPFBYVTQ-UHFFFAOYSA-N 1 0 329.831 2.935 50 0 EFAARO O=C(C[C@@H]1CCCOC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000192788547 473725632 /nfs/dbraw/zinc/72/56/32/473725632.db2.gz DAIBXVRCUAPWGX-INIZCTEOSA-N 1 0 334.435 2.723 50 0 EFAARO Cc1ccc(C)c(OCC[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000195509088 474085953 /nfs/dbraw/zinc/08/59/53/474085953.db2.gz DJOCYHPZLPNSSA-UHFFFAOYSA-N 1 0 343.471 2.751 50 0 EFAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C1(c2ccccc2)CCCCC1 ZINC000219437397 474147292 /nfs/dbraw/zinc/14/72/92/474147292.db2.gz GBKMDQBCTFLNLW-FCGDIQPGSA-N 1 0 342.483 2.722 50 0 EFAARO COc1nc(C)cc(C)c1CNC(=O)[C@@H](c1ccccc1F)N(C)C ZINC000219666989 474148460 /nfs/dbraw/zinc/14/84/60/474148460.db2.gz FEKSREASGHMCHT-QGZVFWFLSA-N 1 0 345.418 2.765 50 0 EFAARO C[C@@H](Cc1ccccn1)N(C)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000219903266 474150881 /nfs/dbraw/zinc/15/08/81/474150881.db2.gz UCBBFUOOZHNIST-INIZCTEOSA-N 1 0 341.455 2.976 50 0 EFAARO Cc1nccc(C2CCN(C(=O)C[NH+]3CCCCCCC3)CC2)n1 ZINC000220635074 474156273 /nfs/dbraw/zinc/15/62/73/474156273.db2.gz HMOGPAKSBNFDSA-UHFFFAOYSA-N 1 0 330.476 2.757 50 0 EFAARO CC1CC[NH+](Cc2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[N@H+](C)C4)o2)CC1 ZINC000221378156 474161504 /nfs/dbraw/zinc/16/15/04/474161504.db2.gz BYTSIZAMWBUHNF-IRXDYDNUSA-N 1 0 345.487 2.678 50 0 EFAARO O=C(NCC[NH+]1CCC(O)CC1)c1ccccc1-c1ccc(F)cc1 ZINC000221391378 474161719 /nfs/dbraw/zinc/16/17/19/474161719.db2.gz YRZIZXACHYISPW-UHFFFAOYSA-N 1 0 342.414 2.679 50 0 EFAARO CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000223071041 474178112 /nfs/dbraw/zinc/17/81/12/474178112.db2.gz FAGVXSPRDISMGB-RTBURBONSA-N 1 0 346.471 2.596 50 0 EFAARO Cc1cc(N2CCN(C(=O)[C@@H]3CCc4ccccc4C3)CC2)cc[nH+]1 ZINC000223350249 474184066 /nfs/dbraw/zinc/18/40/66/474184066.db2.gz NDURQZNZPMFNAW-LJQANCHMSA-N 1 0 335.451 2.844 50 0 EFAARO Cc1nccn1CC[C@@H](NC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC000223447300 474184934 /nfs/dbraw/zinc/18/49/34/474184934.db2.gz SYVIBXLRSXRNQC-GOSISDBHSA-N 1 0 326.444 2.535 50 0 EFAARO C[NH+]1CCC(CNC(=O)c2ccc3nccn3c2)(c2ccccc2)CC1 ZINC000223856945 474192133 /nfs/dbraw/zinc/19/21/33/474192133.db2.gz XHTBBWSEECJKFW-UHFFFAOYSA-N 1 0 348.450 2.728 50 0 EFAARO [NH3+][C@H]1CC[C@@H](C[NH+]2CCC(Oc3ccccc3)(C(=O)[O-])CC2)CC1 ZINC000247704396 474203192 /nfs/dbraw/zinc/20/31/92/474203192.db2.gz CJJPQROUVRYEEP-IYBDPMFKSA-N 1 0 332.444 2.502 50 0 EFAARO CN1CC[N@H+](Cc2ccccc2OCCO)C[C@H]1c1ccccc1 ZINC000225347936 474207162 /nfs/dbraw/zinc/20/71/62/474207162.db2.gz SVDXPRZLVLFWBB-IBGZPJMESA-N 1 0 326.440 2.546 50 0 EFAARO COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH+]1CCCC1 ZINC000247813681 474213285 /nfs/dbraw/zinc/21/32/85/474213285.db2.gz DZXFFSGYXRUIDR-RBUKOAKNSA-N 1 0 330.472 2.926 50 0 EFAARO O=C(Cn1cccc1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225689339 474235511 /nfs/dbraw/zinc/23/55/11/474235511.db2.gz ONXIPOKGNQCWRM-UHFFFAOYSA-N 1 0 329.469 2.599 50 0 EFAARO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000229219624 474251229 /nfs/dbraw/zinc/25/12/29/474251229.db2.gz SVPGPJOHIBFJTK-SJORKVTESA-N 1 0 329.444 2.646 50 0 EFAARO CC(C)(C)c1oc(C(N)=O)cc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000244748856 474567141 /nfs/dbraw/zinc/56/71/41/474567141.db2.gz OPPGMXQWQQAAJJ-UHFFFAOYSA-N 1 0 330.432 2.779 50 0 EFAARO Cc1ccccc1NC(=O)[C@H](C)N1CCC([NH+]2CCSCC2)CC1 ZINC000244858496 474568088 /nfs/dbraw/zinc/56/80/88/474568088.db2.gz VMFCYPOGAYRTLL-INIZCTEOSA-N 1 0 347.528 2.835 50 0 EFAARO CC(=O)Nc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC(C)=CC[C@@H]3C2)cc1 ZINC000244899392 474568163 /nfs/dbraw/zinc/56/81/63/474568163.db2.gz ZIZXHTWERJWBGZ-MSOLQXFVSA-N 1 0 341.455 2.549 50 0 EFAARO CC[N@H+](CCCOc1ccc(C(N)=O)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000244900018 474568622 /nfs/dbraw/zinc/56/86/22/474568622.db2.gz ZUNJRZFLEAQIHI-MRXNPFEDSA-N 1 0 334.460 2.834 50 0 EFAARO Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ccncc3)CC2)c1 ZINC000244986282 474569489 /nfs/dbraw/zinc/56/94/89/474569489.db2.gz JNXFXPNAZNQNGM-UHFFFAOYSA-N 1 0 346.452 2.931 50 0 EFAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1nccs1 ZINC000252488589 474675401 /nfs/dbraw/zinc/67/54/01/474675401.db2.gz IVCPDBYIJHDXSZ-OAHLLOKOSA-N 1 0 347.488 2.921 50 0 EFAARO COc1ccc(NC(=O)C[N@H+](C)CCCn2cccn2)cc1Cl ZINC000252490668 474676685 /nfs/dbraw/zinc/67/66/85/474676685.db2.gz KYVFDDRJVQFIIU-UHFFFAOYSA-N 1 0 336.823 2.506 50 0 EFAARO Cc1nc(C2CCN(C[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)n[nH]1 ZINC000252502598 474682707 /nfs/dbraw/zinc/68/27/07/474682707.db2.gz URJDSZLYEDLYNK-LJQANCHMSA-N 1 0 339.487 2.957 50 0 EFAARO O[C@H]1C[C@@H](c2cc(NCC3([NH+]4CCCCC4)CCCC3)ncn2)C1 ZINC000252523032 474693195 /nfs/dbraw/zinc/69/31/95/474693195.db2.gz BRECGWBZAIDYBB-IYBDPMFKSA-N 1 0 330.476 2.926 50 0 EFAARO Cc1ccc(C)n1CC(=O)Nc1ccc2c(c1)ncn2CC[NH+](C)C ZINC000253405482 474738861 /nfs/dbraw/zinc/73/88/61/474738861.db2.gz IHXGIGWYQFVUCA-UHFFFAOYSA-N 1 0 339.443 2.655 50 0 EFAARO CC(C)=CC[NH+]1CCC2(CC[C@@H](CNC(=O)c3cncs3)O2)CC1 ZINC000299764066 476151092 /nfs/dbraw/zinc/15/10/92/476151092.db2.gz KAFAZFAUEHCDEB-HNNXBMFYSA-N 1 0 349.500 2.853 50 0 EFAARO Cc1cnn(CCC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C)C2)c1 ZINC000299774264 476154365 /nfs/dbraw/zinc/15/43/65/476154365.db2.gz FQJYDKOGHZPIDO-GOSISDBHSA-N 1 0 340.471 2.528 50 0 EFAARO CN1CC[NH+](C[C@H]2CCCN(Cc3ccc(Cl)s3)C2)CC1 ZINC000371422285 477310192 /nfs/dbraw/zinc/31/01/92/477310192.db2.gz FCDXUENXACUUOZ-CQSZACIVSA-N 1 0 327.925 2.861 50 0 EFAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCOc3ccccc3C2)C1 ZINC000426412509 477707171 /nfs/dbraw/zinc/70/71/71/477707171.db2.gz WHHMWBQAQBAJHM-MRXNPFEDSA-N 1 0 331.460 2.569 50 0 EFAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](c2ccn(CCO)n2)C1 ZINC000426526456 477713232 /nfs/dbraw/zinc/71/32/32/477713232.db2.gz QFAYUVDVMNKTEG-INIZCTEOSA-N 1 0 329.444 2.654 50 0 EFAARO Cn1c(SCCOCc2ccccc2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000426523559 477713696 /nfs/dbraw/zinc/71/36/96/477713696.db2.gz QENOSADKOLYFAT-OAHLLOKOSA-N 1 0 332.473 2.591 50 0 EFAARO CCC[NH+]1CCC(NC(=O)N(C)Cc2nc3ccccc3[nH]2)CC1 ZINC000426538356 477716626 /nfs/dbraw/zinc/71/66/26/477716626.db2.gz ITHHYVHUERDAFT-UHFFFAOYSA-N 1 0 329.448 2.579 50 0 EFAARO CCOc1ccc(C(C)=O)cc1NC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000426584879 477721767 /nfs/dbraw/zinc/72/17/67/477721767.db2.gz UGPHCIVWKUIKCC-CVEARBPZSA-N 1 0 345.443 2.988 50 0 EFAARO Cc1cc(N2CCN(C(=O)NCc3ccccc3F)CC2)cc(C)[nH+]1 ZINC000426578540 477722409 /nfs/dbraw/zinc/72/24/09/477722409.db2.gz FADDKADSOZUATF-UHFFFAOYSA-N 1 0 342.418 2.869 50 0 EFAARO C[NH2+]Cc1nnc(SCc2ccc(C(F)(F)F)cc2F)n1C ZINC000426602544 477724208 /nfs/dbraw/zinc/72/42/08/477724208.db2.gz SAVXXOHASDKHPL-UHFFFAOYSA-N 1 0 334.342 2.985 50 0 EFAARO COc1cccc([C@@H]2CCN2C(=O)Cc2cccc(OCC[NH3+])c2)c1 ZINC000426597222 477724843 /nfs/dbraw/zinc/72/48/43/477724843.db2.gz LVXZJGUHAPAZAB-IBGZPJMESA-N 1 0 340.423 2.549 50 0 EFAARO O=C(NCC[C@@H](c1ccco1)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000426606822 477725199 /nfs/dbraw/zinc/72/51/99/477725199.db2.gz XEWJVCLGSCJRPA-MRXNPFEDSA-N 1 0 331.391 2.556 50 0 EFAARO Cn1c(CC[NH3+])nnc1SCc1ccccc1OC(F)(F)F ZINC000426628188 477729662 /nfs/dbraw/zinc/72/96/62/477729662.db2.gz IHBXLBCTORDJBV-UHFFFAOYSA-N 1 0 332.351 2.507 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cnc(C)[nH]3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426649553 477732591 /nfs/dbraw/zinc/73/25/91/477732591.db2.gz IBOGLHRCQNIUKA-JENIJYKNSA-N 1 0 342.443 2.704 50 0 EFAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)NCc2ncc[nH]2)cc1 ZINC000426668404 477736230 /nfs/dbraw/zinc/73/62/30/477736230.db2.gz QMECOTCQEWCNAV-KRWDZBQOSA-N 1 0 341.459 2.908 50 0 EFAARO Cc1c[nH+]ccc1NCCNC(=O)N1CCc2ccc(F)cc2[C@H]1C ZINC000426701417 477740017 /nfs/dbraw/zinc/74/00/17/477740017.db2.gz MCOXSRXNTKAYGB-CQSZACIVSA-N 1 0 342.418 2.692 50 0 EFAARO Cc1ccsc1CN(Cc1ccccn1)C(=O)C1CC[NH2+]CC1 ZINC000534577201 478158015 /nfs/dbraw/zinc/15/80/15/478158015.db2.gz HRCTVZRRYVNNPT-UHFFFAOYSA-N 1 0 329.469 2.980 50 0 EFAARO COCCN(Cc1ccsc1)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000534585495 478160784 /nfs/dbraw/zinc/16/07/84/478160784.db2.gz OXDIBQCRORTVOM-CQSZACIVSA-N 1 0 339.505 2.636 50 0 EFAARO COc1ccc(O)c(-c2ccc3c(c2)OC[C@@H]([NH+]2CCCC2)[C@@H]3O)c1 ZINC000534585491 478161224 /nfs/dbraw/zinc/16/12/24/478161224.db2.gz KTJVZKMAQBHCRZ-YLJYHZDGSA-N 1 0 341.407 2.958 50 0 EFAARO Cc1c[nH]c([C@H](C)NC(=O)N2CCC(CC[NH+]3CCCC3)CC2)n1 ZINC000534639264 478164725 /nfs/dbraw/zinc/16/47/25/478164725.db2.gz OWPCLTFRIQBQHO-HNNXBMFYSA-N 1 0 333.480 2.687 50 0 EFAARO Cc1ccc([C@@H](C)NC(=O)N(C)CC2CC[NH+](CCO)CC2)cc1C ZINC000534644780 478165886 /nfs/dbraw/zinc/16/58/86/478165886.db2.gz GGTCCXGFAZMKJP-QGZVFWFLSA-N 1 0 347.503 2.710 50 0 EFAARO O=C(c1ccccc1)N1CCC[C@H]([NH2+]C2CSCCSC2)C1 ZINC000534645417 478166311 /nfs/dbraw/zinc/16/63/11/478166311.db2.gz SKVVDJMXSCLJJP-HNNXBMFYSA-N 1 0 336.526 2.729 50 0 EFAARO Cc1cc2ccccc2n1CCN(C)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000534660398 478167055 /nfs/dbraw/zinc/16/70/55/478167055.db2.gz WFDCRXZCWHSURS-OAHLLOKOSA-N 1 0 330.476 2.789 50 0 EFAARO Cc1cccc([C@H](CNC(=O)c2cc(Cl)c[nH]c2=O)[NH+](C)C)c1 ZINC000534663356 478167266 /nfs/dbraw/zinc/16/72/66/478167266.db2.gz DEFIRQQOLACLFO-HNNXBMFYSA-N 1 0 333.819 2.782 50 0 EFAARO COCCCC[NH+]1CCN(C(=O)NCc2ccc(C)cc2C)CC1 ZINC000534655167 478167577 /nfs/dbraw/zinc/16/75/77/478167577.db2.gz AYEYGJJWDLKXGD-UHFFFAOYSA-N 1 0 333.476 2.557 50 0 EFAARO Cc1cc2ccccc2n1CCN(C)C(=O)NC[C@H](C)C[NH+](C)C ZINC000534660397 478167775 /nfs/dbraw/zinc/16/77/75/478167775.db2.gz WFDCRXZCWHSURS-HNNXBMFYSA-N 1 0 330.476 2.789 50 0 EFAARO Cn1ccnc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000584886294 479270789 /nfs/dbraw/zinc/27/07/89/479270789.db2.gz IEUCZOLAWNBLDV-KRWDZBQOSA-N 1 0 326.444 2.767 50 0 EFAARO Cc1cccc(-c2nc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)cs2)c1 ZINC000584886930 479270913 /nfs/dbraw/zinc/27/09/13/479270913.db2.gz VDGRMLUMLAHWIL-MRXNPFEDSA-N 1 0 344.484 2.964 50 0 EFAARO CCCn1ncnc1-c1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000584894305 479273659 /nfs/dbraw/zinc/27/36/59/479273659.db2.gz RQBKOPZOMHWCHH-QGZVFWFLSA-N 1 0 341.459 2.569 50 0 EFAARO CC[C@@H](NC(=O)C1CC[NH+](C2CCOCC2)CC1)c1ccncc1 ZINC000584893201 479273739 /nfs/dbraw/zinc/27/37/39/479273739.db2.gz FPXUWGOVELTYPN-GOSISDBHSA-N 1 0 331.460 2.540 50 0 EFAARO CCN(C[C@H]1CC[N@H+](C)C1)C(=O)NCc1ccc(F)cc1Cl ZINC000584898472 479275147 /nfs/dbraw/zinc/27/51/47/479275147.db2.gz KVIUZCCXXANEFL-LBPRGKRZSA-N 1 0 327.831 2.962 50 0 EFAARO O=c1c2c(F)cccc2ncn1C1CC[NH+](Cc2ccco2)CC1 ZINC000584896986 479275987 /nfs/dbraw/zinc/27/59/87/479275987.db2.gz AGVMJEQOHKJJNE-UHFFFAOYSA-N 1 0 327.359 2.966 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1Cn1cnc2cccc(C(F)(F)F)c2c1=O ZINC000584902065 479276341 /nfs/dbraw/zinc/27/63/41/479276341.db2.gz MPUMVYVYHMXEMD-LLVKDONJSA-N 1 0 325.334 2.900 50 0 EFAARO C[N@@H+]1CCCC[C@H]1Cn1cnc2cccc(C(F)(F)F)c2c1=O ZINC000584902066 479277107 /nfs/dbraw/zinc/27/71/07/479277107.db2.gz MPUMVYVYHMXEMD-NSHDSACASA-N 1 0 325.334 2.900 50 0 EFAARO CC(=O)N1CCC([N@@H+]2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)CC1 ZINC000584904393 479277906 /nfs/dbraw/zinc/27/79/06/479277906.db2.gz BFRAASKCBXSFQW-WOJBJXKFSA-N 1 0 333.520 2.726 50 0 EFAARO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ncc(Cl)n1C ZINC000585134794 479295576 /nfs/dbraw/zinc/29/55/76/479295576.db2.gz KGNSYRXYDVTWME-JTQLQIEISA-N 1 0 326.853 2.606 50 0 EFAARO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ncc(Cl)n1C ZINC000585134795 479295601 /nfs/dbraw/zinc/29/56/01/479295601.db2.gz KGNSYRXYDVTWME-SNVBAGLBSA-N 1 0 326.853 2.606 50 0 EFAARO O=C1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 ZINC000000052896 501077960 /nfs/dbraw/zinc/07/79/60/501077960.db2.gz WWNGBTPOBHQWOV-MRXNPFEDSA-N 1 0 346.789 2.943 50 0 EFAARO CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CC[NH+](C)CC1 ZINC000000071824 521577072 /nfs/dbraw/zinc/57/70/72/521577072.db2.gz WIQSUNGMUOCWNZ-UHFFFAOYSA-N 1 0 343.427 2.562 50 0 EFAARO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000192214903 534602672 /nfs/dbraw/zinc/60/26/72/534602672.db2.gz HTFHHLBZADYJLL-LJQANCHMSA-N 1 0 330.472 2.974 50 0 EFAARO CC[C@@H](CO)[NH2+]Cc1ccc(OC[C@@H](O)c2ccccc2)c(OC)c1 ZINC000004840499 522572858 /nfs/dbraw/zinc/57/28/58/522572858.db2.gz DTLJXMDJHIJUFG-ZWKOTPCHSA-N 1 0 345.439 2.668 50 0 EFAARO CC(C)c1nccc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000243893834 534905484 /nfs/dbraw/zinc/90/54/84/534905484.db2.gz AURJZWDQYBSOML-UHFFFAOYSA-N 1 0 326.444 2.934 50 0 EFAARO CN(Cc1ccc2ncccc2c1)C(=O)Cc1cccc(OCC[NH3+])c1 ZINC000426571843 536474311 /nfs/dbraw/zinc/47/43/11/536474311.db2.gz VPYOSDCDPDBNKX-UHFFFAOYSA-N 1 0 349.434 2.773 50 0 EFAARO CC[C@H](NC(=O)c1ccc(OC)cc1OCC[NH3+])c1ncccc1C ZINC000426401985 535877492 /nfs/dbraw/zinc/87/74/92/535877492.db2.gz QMHYTQGVYLFFRI-INIZCTEOSA-N 1 0 343.427 2.617 50 0 EFAARO CC[C@H](O)CSc1nnc(C[NH3+])n1-c1cccc(C(F)(F)F)c1 ZINC000426494400 535996281 /nfs/dbraw/zinc/99/62/81/535996281.db2.gz TZJSEBMBEXCUHI-NSHDSACASA-N 1 0 346.378 2.608 50 0 EFAARO C[NH+]1CCC(N2CCN(Cc3c(Cl)cncc3Cl)CC2)CC1 ZINC000215157785 536339951 /nfs/dbraw/zinc/33/99/51/536339951.db2.gz YIGJEXYWUHWEIC-UHFFFAOYSA-N 1 0 343.302 2.600 50 0 EFAARO C[NH+]1CCC(N2CCN(C(=O)CCc3ccccc3Cl)CC2)CC1 ZINC000215347826 536340319 /nfs/dbraw/zinc/34/03/19/536340319.db2.gz XBWUIHRJBCUWHN-UHFFFAOYSA-N 1 0 349.906 2.511 50 0 EFAARO C[N@H+](C[C@H]1CCN(c2ccccc2)C1)CC(C)(C)CN1CCOCC1 ZINC000215355906 536449735 /nfs/dbraw/zinc/44/97/35/536449735.db2.gz NMGGYXGSWRDELR-LJQANCHMSA-N 1 0 345.531 2.803 50 0 EFAARO CC[C@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000670420462 547487318 /nfs/dbraw/zinc/48/73/18/547487318.db2.gz XGIXKIBVSLNQDP-GOSISDBHSA-N 1 0 327.424 2.806 50 0 EFAARO CNc1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000670446584 547491156 /nfs/dbraw/zinc/49/11/56/547491156.db2.gz JRVLUXZDWJHGRP-LLVKDONJSA-N 1 0 336.486 2.641 50 0 EFAARO Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000670447512 547491351 /nfs/dbraw/zinc/49/13/51/547491351.db2.gz RSMHAAHTZOBUAD-LLVKDONJSA-N 1 0 325.338 2.907 50 0 EFAARO Cc1cccc(N2CCC([NH2+]CCCn3ccccc3=O)CC2)c1 ZINC000670446588 547491679 /nfs/dbraw/zinc/49/16/79/547491679.db2.gz RGQCNOWGXNSODG-UHFFFAOYSA-N 1 0 325.456 2.805 50 0 EFAARO Cc1cccc(N2CCN(C(=O)NC[C@H]3CCC[N@H+]3C(C)C)CC2)c1 ZINC000670446583 547491821 /nfs/dbraw/zinc/49/18/21/547491821.db2.gz HDAZEURRSDRPOQ-LJQANCHMSA-N 1 0 344.503 2.699 50 0 EFAARO Cc1nc2cc(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2[nH]1 ZINC000670462582 547494537 /nfs/dbraw/zinc/49/45/37/547494537.db2.gz ISWUQTSPOGEKIB-QFBILLFUSA-N 1 0 340.471 2.795 50 0 EFAARO COc1cc(C[N@H+]2C[C@H](c3nnc(C4CC4)[nH]3)[C@@H](C3CC3)C2)ccn1 ZINC000685941805 550197492 /nfs/dbraw/zinc/19/74/92/550197492.db2.gz CARJKWKSSWPACR-CVEARBPZSA-N 1 0 339.443 2.711 50 0 EFAARO Cc1ccc(CCC[NH2+][C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)cn1 ZINC000685942287 550197587 /nfs/dbraw/zinc/19/75/87/550197587.db2.gz HRTKSVNCGGBTKN-IAGOWNOFSA-N 1 0 343.475 2.548 50 0 EFAARO CC[NH+]1CCN(CCCOc2cccc(Br)c2)CC1 ZINC000230554662 564051150 /nfs/dbraw/zinc/05/11/50/564051150.db2.gz KADQAWPNTLZZFU-UHFFFAOYSA-N 1 0 327.266 2.856 50 0 EFAARO CC[NH+]1CCN(CCOc2ccc(Br)cc2F)CC1 ZINC000230555087 564058847 /nfs/dbraw/zinc/05/88/47/564058847.db2.gz QHBFHCBMCFHWAI-UHFFFAOYSA-N 1 0 331.229 2.605 50 0 EFAARO C[NH+](C)C[C@H]1COCCN(CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000823690190 1265415192 /nfs/dbraw/zinc/41/51/92/1265415192.db2.gz MPBZQCCGPUULFN-OAHLLOKOSA-N 1 0 336.863 2.626 50 0 EFAARO Clc1cnn(CCN2C[C@H]3C[NH2+]C[C@]3(CCc3ccccc3)C2)c1 ZINC001772705692 1249290321 /nfs/dbraw/zinc/29/03/21/1249290321.db2.gz ZFRHHNDDCRGDED-IEBWSBKVSA-N 1 0 344.890 2.691 50 0 EFAARO OC[C@@]12C[N@H+](Cc3ccccc3OC3CCCC3)C[C@@H]1COCC2 ZINC001772705181 1249292429 /nfs/dbraw/zinc/29/24/29/1249292429.db2.gz LFUMWRNECWKNIH-YLJYHZDGSA-N 1 0 331.456 2.839 50 0 EFAARO Cc1ccc2c(C(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)cnn2c1 ZINC001772708595 1249296249 /nfs/dbraw/zinc/29/62/49/1249296249.db2.gz ISDPXYSNAHYBCY-HNNXBMFYSA-N 1 0 326.444 2.637 50 0 EFAARO Cc1ccc2c(C(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)cnn2c1 ZINC001772708596 1249296596 /nfs/dbraw/zinc/29/65/96/1249296596.db2.gz ISDPXYSNAHYBCY-OAHLLOKOSA-N 1 0 326.444 2.637 50 0 EFAARO c1ccc(CC[C@@]23C[NH2+]C[C@H]2CN(Cc2cccc4nonc42)C3)cc1 ZINC001772712762 1249299948 /nfs/dbraw/zinc/29/99/48/1249299948.db2.gz YIUWGTNUQYRSEK-RXVVDRJESA-N 1 0 348.450 2.877 50 0 EFAARO c1ccc(CC[C@]23C[NH2+]C[C@H]2CN(Cc2cccc4nonc42)C3)cc1 ZINC001772712760 1249300154 /nfs/dbraw/zinc/30/01/54/1249300154.db2.gz YIUWGTNUQYRSEK-GHTZIAJQSA-N 1 0 348.450 2.877 50 0 EFAARO OC[C@@]12C[N@H+](Cc3cccc(CC(F)(F)F)c3)C[C@@H]1COCC2 ZINC001772712161 1249300541 /nfs/dbraw/zinc/30/05/41/1249300541.db2.gz IUGVLNHGVFNVRG-HZPDHXFCSA-N 1 0 329.362 2.622 50 0 EFAARO CN1CCC[C@@]2(CC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)C1=O ZINC000012750776 1265468578 /nfs/dbraw/zinc/46/85/78/1265468578.db2.gz FWFMPIUDJJTQES-KRWDZBQOSA-N 1 0 336.819 2.513 50 0 EFAARO O=C(C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1)N1CCCCCCC1 ZINC000012750400 1265468733 /nfs/dbraw/zinc/46/87/33/1265468733.db2.gz GURNGXOWSKJJTB-GOSISDBHSA-N 1 0 349.519 2.550 50 0 EFAARO O=C(Nc1ccc2c(c1)CN(Cc1ccccn1)CC2)[C@@H]1CCCO1 ZINC000011665275 1262935991 /nfs/dbraw/zinc/93/59/91/1262935991.db2.gz DPLUHDTUTDKANA-IBGZPJMESA-N 1 0 337.423 2.757 50 0 EFAARO CCc1c(C(=O)N(CC)CC)c(=O)cc(C)n1C[C@@H]1CCC[N@@H+]1CC ZINC000011788428 1263930283 /nfs/dbraw/zinc/93/02/83/1263930283.db2.gz ZXCQFXAFOYENGE-INIZCTEOSA-N 1 0 347.503 2.685 50 0 EFAARO CCc1ccc(C[NH2+]Cc2cccnc2N2CCC[C@@H](O)C2)cc1 ZINC000011947841 1264632266 /nfs/dbraw/zinc/63/22/66/1264632266.db2.gz JMINZLNRSMNIJI-LJQANCHMSA-N 1 0 325.456 2.895 50 0 EFAARO CCCC[N@H+](C)Cc1ccc(C(=O)NCc2cccs2)c(=O)[nH]1 ZINC000012038975 1264745314 /nfs/dbraw/zinc/74/53/14/1264745314.db2.gz ZVUCDOJCUXKUFJ-UHFFFAOYSA-N 1 0 333.457 2.598 50 0 EFAARO CCCn1nc(-c2ccccc2)nc1CC[C@H](C)[NH+]1CCN(C)CC1 ZINC000823033052 1265215971 /nfs/dbraw/zinc/21/59/71/1265215971.db2.gz FVTLEEGPUXUCIH-KRWDZBQOSA-N 1 0 341.503 2.924 50 0 EFAARO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)nc(C)n1 ZINC000012581243 1265298102 /nfs/dbraw/zinc/29/81/02/1265298102.db2.gz RVBWEMUJROXZMD-KRWDZBQOSA-N 1 0 330.476 2.868 50 0 EFAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3ccc(CO)o3)C2)c1 ZINC000012612605 1265340833 /nfs/dbraw/zinc/34/08/33/1265340833.db2.gz YCJNLUSZLGMRDW-FQEVSTJZSA-N 1 0 345.439 2.598 50 0 EFAARO CCc1nc(C)c(C[NH+]2CCC(CNC(=O)c3ccco3)CC2)[nH]1 ZINC000823550009 1265369825 /nfs/dbraw/zinc/36/98/25/1265369825.db2.gz LRXSHUXKRIPFBL-UHFFFAOYSA-N 1 0 330.432 2.516 50 0 EFAARO CCn1nc(-c2c[nH]c3ccccc23)nc1[C@H](C)N1CC[NH+](C)CC1 ZINC000823600762 1265386701 /nfs/dbraw/zinc/38/67/01/1265386701.db2.gz UYMOPUUSRYMDGM-AWEZNQCLSA-N 1 0 338.459 2.755 50 0 EFAARO COCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc4c3ccn4C)n[nH]2)C1 ZINC000824413136 1266890071 /nfs/dbraw/zinc/89/00/71/1266890071.db2.gz GUNDLSCCLIOYBH-CQSZACIVSA-N 1 0 339.443 2.789 50 0 EFAARO COc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccn1 ZINC000824851743 1266956816 /nfs/dbraw/zinc/95/68/16/1266956816.db2.gz BLYWOUKNYSCDRP-CQSZACIVSA-N 1 0 331.441 2.546 50 0 EFAARO C[C@@H](O)[C@H]([NH3+])c1nc(COc2cccc(Cl)c2)nn1C(C)(C)C ZINC000825059368 1266990901 /nfs/dbraw/zinc/99/09/01/1266990901.db2.gz GCZUQJLJXFONCQ-YGRLFVJLSA-N 1 0 338.839 2.646 50 0 EFAARO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc(C)n1 ZINC000825264423 1267049620 /nfs/dbraw/zinc/04/96/20/1267049620.db2.gz GVPPMAZNPQTMGV-CQSZACIVSA-N 1 0 330.457 2.549 50 0 EFAARO Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(C[NH+]3CCCC3)o2)n1 ZINC000825300774 1267056681 /nfs/dbraw/zinc/05/66/81/1267056681.db2.gz OQASFFFBPZEMSH-HNNXBMFYSA-N 1 0 344.415 2.934 50 0 EFAARO O=C(NCCN1CCc2ccccc21)C1([NH+]2CCCC2)CCCCC1 ZINC000827661348 1267460652 /nfs/dbraw/zinc/46/06/52/1267460652.db2.gz SDJNZILGIZGKFS-UHFFFAOYSA-N 1 0 341.499 2.964 50 0 EFAARO O=C(CCc1ccncc1)NC[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000827822366 1267492928 /nfs/dbraw/zinc/49/29/28/1267492928.db2.gz BYFBCYXFYQRNQC-KRWDZBQOSA-N 1 0 327.428 2.636 50 0 EFAARO Cc1ncnc(C)c1C(=O)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828133688 1267611135 /nfs/dbraw/zinc/61/11/35/1267611135.db2.gz OWIVAWICBIYYQY-AWEZNQCLSA-N 1 0 330.457 2.549 50 0 EFAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)c1c[nH]c(=O)c(Cl)c1 ZINC000828198223 1267648407 /nfs/dbraw/zinc/64/84/07/1267648407.db2.gz SZAWMVFYVTURGB-UHFFFAOYSA-N 1 0 337.851 2.825 50 0 EFAARO Cc1ccnn1CCC(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012431328 1268299697 /nfs/dbraw/zinc/29/96/97/1268299697.db2.gz IHWQRWXIJJSYAN-KRWDZBQOSA-N 1 0 332.492 2.885 50 0 EFAARO O=C(/C=C/c1ccccn1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012460072 1268560402 /nfs/dbraw/zinc/56/04/02/1268560402.db2.gz CPEOQZUXCAANTD-SGWGQVFISA-N 1 0 335.451 2.918 50 0 EFAARO CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(CCOC)C3=O)cc1 ZINC000012571829 1275184998 /nfs/dbraw/zinc/18/49/98/1275184998.db2.gz DSOZWMJRFYAZEA-HXUWFJFHSA-N 1 0 330.472 2.710 50 0 EFAARO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)c(=O)[nH]c1C ZINC000012594051 1276710811 /nfs/dbraw/zinc/71/08/11/1276710811.db2.gz GMFYPVGOLNTBOJ-MRXNPFEDSA-N 1 0 345.487 2.909 50 0 EFAARO CC(C)=CC[N@@H+]1CCN(Cc2ccc3nsnc3c2)C[C@H]1CCO ZINC000036385728 1283146130 /nfs/dbraw/zinc/14/61/30/1283146130.db2.gz IGOJKWAEYOPVQD-MRXNPFEDSA-N 1 0 346.500 2.526 50 0 EFAARO CC[C@H](C(=O)N(Cc1ccncc1)Cc1ccncc1)[N@H+](C)CC ZINC000952868517 1284888077 /nfs/dbraw/zinc/88/80/77/1284888077.db2.gz ASSFGRNNMJSDEE-GOSISDBHSA-N 1 0 326.444 2.736 50 0 EFAARO Cc1nc(-c2ccc(NC(=O)[C@H](C)C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000952869069 1284888372 /nfs/dbraw/zinc/88/83/72/1284888372.db2.gz VVTYZIPNYGOPQE-CYBMUJFWSA-N 1 0 327.432 2.841 50 0 EFAARO Cc1c(C[NH2+]CCSc2nnnn2C)[nH]c2c1cccc2Cl ZINC000952965052 1284924270 /nfs/dbraw/zinc/92/42/70/1284924270.db2.gz FJQKAGZQXWUARL-UHFFFAOYSA-N 1 0 336.852 2.535 50 0 EFAARO Cc1ccccc1[C@@H](C(=O)N1CCN(Cc2ccco2)CC1)N(C)C ZINC000952965657 1284924388 /nfs/dbraw/zinc/92/43/88/1284924388.db2.gz QRESJQSVQOGQQD-IBGZPJMESA-N 1 0 341.455 2.535 50 0 EFAARO COc1ccccc1Cc1nc([C@H]2CCC[NH2+]2)n(CC(F)(F)F)n1 ZINC000952966212 1284925655 /nfs/dbraw/zinc/92/56/55/1284925655.db2.gz CWYPRXIBLXNLBT-GFCCVEGCSA-N 1 0 340.349 2.864 50 0 EFAARO O=C(CNC(=O)c1ccccc1)Nc1ccccc1C[NH+]1CCCC1 ZINC000952971655 1284941746 /nfs/dbraw/zinc/94/17/46/1284941746.db2.gz SZKUESQLDRVXIW-UHFFFAOYSA-N 1 0 337.423 2.651 50 0 EFAARO O=S(=O)(Cc1ccc(F)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000952972342 1284942432 /nfs/dbraw/zinc/94/24/32/1284942432.db2.gz OXHNXPZUJJQEDL-UHFFFAOYSA-N 1 0 340.464 2.606 50 0 EFAARO CCSc1ccccc1NC(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000952974218 1284948687 /nfs/dbraw/zinc/94/86/87/1284948687.db2.gz QVNGYRLGZQNJHE-CYBMUJFWSA-N 1 0 345.472 2.642 50 0 EFAARO O=C(C[NH+]1CCCCCC1)NC[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000952981817 1284977810 /nfs/dbraw/zinc/97/78/10/1284977810.db2.gz NZGOTQSUWNLHLK-AZRLCKCBSA-N 1 0 334.504 2.556 50 0 EFAARO OC[C@H]1CCCN(CC[NH2+]Cc2ccc(-c3ccccn3)cc2)C1 ZINC000952982345 1284978237 /nfs/dbraw/zinc/97/82/37/1284978237.db2.gz OLWLPSAKXLNKLE-SFHVURJKSA-N 1 0 325.456 2.543 50 0 EFAARO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1 ZINC000952983007 1284979464 /nfs/dbraw/zinc/97/94/64/1284979464.db2.gz QVVHYYZMXKWNLB-HNNXBMFYSA-N 1 0 347.459 2.600 50 0 EFAARO COc1nc(NC[C@H]2CCC[N@H+](CCc3ccccc3)C2)ncc1F ZINC000952984158 1284982613 /nfs/dbraw/zinc/98/26/13/1284982613.db2.gz OOPFEHVDDLKMPM-MRXNPFEDSA-N 1 0 344.434 2.991 50 0 EFAARO COc1ccc(C[NH2+]CCN2CCCC[C@@H]2CO)c2ccccc12 ZINC000952984108 1284982847 /nfs/dbraw/zinc/98/28/47/1284982847.db2.gz ODQFXVBJMIFTCT-QGZVFWFLSA-N 1 0 328.456 2.785 50 0 EFAARO [NH3+]CCc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000952986235 1284986776 /nfs/dbraw/zinc/98/67/76/1284986776.db2.gz FZXCOSWPPGYXKS-LJQANCHMSA-N 1 0 340.423 2.998 50 0 EFAARO CCC(=O)Nc1ccc(C)c(NC(=O)CC[C@H](C)[NH+]2CCOCC2)c1 ZINC000952987292 1284988357 /nfs/dbraw/zinc/98/83/57/1284988357.db2.gz MXHGDZJPXLMPEN-HNNXBMFYSA-N 1 0 347.459 2.783 50 0 EFAARO CCC(=O)Nc1ccc(C)c(NC(=O)CC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000952987301 1284988625 /nfs/dbraw/zinc/98/86/25/1284988625.db2.gz MXHGDZJPXLMPEN-OAHLLOKOSA-N 1 0 347.459 2.783 50 0 EFAARO OC[C@@H]1CCCN(CC[NH2+]Cc2ccc3cc(Cl)ccc3n2)C1 ZINC000952988084 1284989785 /nfs/dbraw/zinc/98/97/85/1284989785.db2.gz NDXZWXDURDMYBA-CQSZACIVSA-N 1 0 333.863 2.682 50 0 EFAARO COc1ccccc1Cc1nc([C@H]2CCC[NH2+]C2)n(-c2cccnc2)n1 ZINC000952988150 1284990089 /nfs/dbraw/zinc/99/00/89/1284990089.db2.gz OILXPPNJCNWMLN-INIZCTEOSA-N 1 0 349.438 2.729 50 0 EFAARO C[NH+]1CCC(Cc2noc([C@@H](c3cccnc3)N3CCCC3)n2)CC1 ZINC000095355618 1292068472 /nfs/dbraw/zinc/06/84/72/1292068472.db2.gz LRBIMEPUWCQGOJ-GOSISDBHSA-N 1 0 341.459 2.534 50 0 EFAARO C[NH+]1CCC(N2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)CC1 ZINC000012717734 1307073847 /nfs/dbraw/zinc/07/38/47/1307073847.db2.gz CTWZKIOBWMFNBL-UHFFFAOYSA-N 1 0 341.411 2.523 50 0 EFAARO OCC[C@H]1C[N@@H+](C2CCSCC2)CCN1Cc1cccs1 ZINC000019219048 1314404722 /nfs/dbraw/zinc/40/47/22/1314404722.db2.gz KHXMUJGLLBPLHQ-HNNXBMFYSA-N 1 0 326.531 2.512 50 0 EFAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH2+]CC1CC1)CC2 ZINC000014733008 1311230325 /nfs/dbraw/zinc/23/03/25/1311230325.db2.gz JUBOBGSXIBANBE-MRXNPFEDSA-N 1 0 344.503 2.680 50 0 EFAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH2+]C(C)C)CC2 ZINC000014755207 1311235334 /nfs/dbraw/zinc/23/53/34/1311235334.db2.gz XQWVKBNSTNQPLC-OAHLLOKOSA-N 1 0 332.492 2.678 50 0 EFAARO O=C(NCc1cccs1)[C@H]1CC12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000014988502 1311428700 /nfs/dbraw/zinc/42/87/00/1311428700.db2.gz IOGCICZYFAAWJY-UKRRQHHQSA-N 1 0 336.526 2.972 50 0 EFAARO COCCN1CCC[C@@]2(CC[N@H+](C/C=C/c3ccc(F)cc3)C2)C1=O ZINC000015064697 1311466514 /nfs/dbraw/zinc/46/65/14/1311466514.db2.gz YMKMEKBUWLGMBB-ZFDYTMOGSA-N 1 0 346.446 2.800 50 0 EFAARO COCC[N@@H+]1CCC[C@]2(CCN(Cc3ccc(OC)cc3F)C2)C1 ZINC000067921060 1316076110 /nfs/dbraw/zinc/07/61/10/1316076110.db2.gz DPNSEIQSRBSKBU-IBGZPJMESA-N 1 0 336.451 2.769 50 0 EFAARO C[C@@H](Cc1cccs1)[NH2+]C1CCN(C(=O)c2cccnc2)CC1 ZINC001506395078 1405748729 /nfs/dbraw/zinc/74/87/29/1405748729.db2.gz BFVPXVNBKMBSOJ-AWEZNQCLSA-N 1 0 329.469 2.969 50 0 EFAARO c1coc(CN2CCC([NH2+]C[C@@H]3COc4ccccc4O3)CC2)c1 ZINC001506396711 1405750100 /nfs/dbraw/zinc/75/01/00/1405750100.db2.gz MWEFUWUGTLVYHK-QGZVFWFLSA-N 1 0 328.412 2.674 50 0 EFAARO O=C1CC[N@H+](C[C@H]2CCOC2)CCN1CCCCc1ccccc1 ZINC001506401268 1405751030 /nfs/dbraw/zinc/75/10/30/1405751030.db2.gz PVDMDFRYBHNPMX-LJQANCHMSA-N 1 0 330.472 2.580 50 0 EFAARO CC(C)NC(=O)c1ccnc(N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC001506403397 1405751642 /nfs/dbraw/zinc/75/16/42/1405751642.db2.gz ASHIFNWDOYXWLH-UHFFFAOYSA-N 1 0 340.471 2.918 50 0 EFAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Cc1[nH]nc2ccccc21 ZINC001506401466 1405751755 /nfs/dbraw/zinc/75/17/55/1405751755.db2.gz ICRZLTSOKGFEJX-QGZVFWFLSA-N 1 0 348.450 2.621 50 0 EFAARO C[N@@H+]1CCCC2(CCN(C(=O)/C=C/c3cc(CO)cs3)CC2)CC1 ZINC001506402668 1405752032 /nfs/dbraw/zinc/75/20/32/1405752032.db2.gz ZUTLMUVGXNADPG-ONEGZZNKSA-N 1 0 348.512 2.978 50 0 EFAARO O=C1CC[C@H]([NH+]2CCC(O)(c3ccccc3)CC2)CCN1CC1CC1 ZINC001506404035 1405752690 /nfs/dbraw/zinc/75/26/90/1405752690.db2.gz RKHQDNBZXKDZJO-IBGZPJMESA-N 1 0 342.483 2.761 50 0 EFAARO Cc1cc(C)n(C[C@@H](C)[NH+]2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC001506406704 1405754132 /nfs/dbraw/zinc/75/41/32/1405754132.db2.gz MYTQVBHGQSZFMX-QGZVFWFLSA-N 1 0 330.451 2.845 50 0 EFAARO CCc1nccn1C[C@H](C)[NH2+]CCC(=O)Nc1ccc(F)c(C)c1 ZINC001506405988 1405754296 /nfs/dbraw/zinc/75/42/96/1405754296.db2.gz DVWWMFONZSFLKQ-AWEZNQCLSA-N 1 0 332.423 2.900 50 0 EFAARO O=C(c1ccco1)N1CCC[N@@H+]([C@H]2CCN(c3ccccc3)C2)CC1 ZINC001506409230 1405754980 /nfs/dbraw/zinc/75/49/80/1405754980.db2.gz GHRQOTKUYJMZQN-SFHVURJKSA-N 1 0 339.439 2.706 50 0 EFAARO Fc1ccc(N2CCC([NH+]3CCC(c4nnc[nH]4)CC3)CC2)cc1F ZINC001506416098 1405759109 /nfs/dbraw/zinc/75/91/09/1405759109.db2.gz UEKLWSCEFQSSNR-UHFFFAOYSA-N 1 0 347.413 2.931 50 0 EFAARO CN1C[C@]2(CCC[N@@H+](C3CCN(Cc4ccco4)CC3)CC2)OC1=O ZINC001506419551 1405761179 /nfs/dbraw/zinc/76/11/79/1405761179.db2.gz SEVLHXWCKQHUSG-LJQANCHMSA-N 1 0 347.459 2.551 50 0 EFAARO Cc1ccc(OCC(=O)Nc2ccnn2C2CC[NH+](C)CC2)cc1C ZINC001506425230 1405763325 /nfs/dbraw/zinc/76/33/25/1405763325.db2.gz DVYQEVYURXUPFU-UHFFFAOYSA-N 1 0 342.443 2.784 50 0 EFAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCc2csc(-c3ncccn3)n2)n1 ZINC001506425838 1405763488 /nfs/dbraw/zinc/76/34/88/1405763488.db2.gz DPOXUUZUQFHOGR-ZDUSSCGKSA-N 1 0 342.472 2.634 50 0 EFAARO Cc1[nH]c2c(cccc2C(=O)Nc2nnc(CC[NH+](C)C)s2)c1C ZINC001506426727 1405764783 /nfs/dbraw/zinc/76/47/83/1405764783.db2.gz STSKZHZYOOCBNZ-UHFFFAOYSA-N 1 0 343.456 2.993 50 0 EFAARO COc1ccc(NC(C)(C)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC001506428264 1405765624 /nfs/dbraw/zinc/76/56/24/1405765624.db2.gz ODTABXULYOMPPZ-KRWDZBQOSA-N 1 0 345.487 2.973 50 0 EFAARO Cc1cccc(NC(=O)CC(=O)NCC(C)(C)[NH+]2CCC(C)CC2)c1 ZINC001506429204 1405765920 /nfs/dbraw/zinc/76/59/20/1405765920.db2.gz WFULHYYJSHMGSE-UHFFFAOYSA-N 1 0 345.487 2.950 50 0 EFAARO CCc1nccn1C[C@@H](C)[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC001506428515 1405766152 /nfs/dbraw/zinc/76/61/52/1405766152.db2.gz XMBFGPZJTUCREG-OAHLLOKOSA-N 1 0 326.444 2.751 50 0 EFAARO CCn1cc(C[NH+]2CCC3(CC2)OCCc2cc(OC)ccc23)cn1 ZINC001704297681 1417900228 /nfs/dbraw/zinc/90/02/28/1417900228.db2.gz UZQYAJAFMMACJG-UHFFFAOYSA-N 1 0 341.455 2.976 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@]3(CCc4cnc(C)nc43)C2)cc1O ZINC001704299310 1417901081 /nfs/dbraw/zinc/90/10/81/1417901081.db2.gz IRCCXYNXSGSXOA-FQEVSTJZSA-N 1 0 339.439 2.979 50 0 EFAARO Cc1noc(C)c1C[N@H+]1C[C@@H](Cc2ccnc3ccccc23)[C@H](O)C1 ZINC001704300157 1417901197 /nfs/dbraw/zinc/90/11/97/1417901197.db2.gz YVKHPPQXFQVQIG-OXQOHEQNSA-N 1 0 337.423 2.875 50 0 EFAARO CC1=CC2(CC[NH+](C[C@H]3Cc4c(nc(C)nc4C)O3)CC2)OCC1 ZINC001704299023 1417901257 /nfs/dbraw/zinc/90/12/57/1417901257.db2.gz MXOXSRKBBIUCJV-MRXNPFEDSA-N 1 0 329.444 2.598 50 0 EFAARO C[NH+](C)CCN(Cc1c[nH]cn1)C(=O)CCc1cccc(Cl)c1 ZINC001704312785 1417904793 /nfs/dbraw/zinc/90/47/93/1417904793.db2.gz AQDCSEKASXFZNB-UHFFFAOYSA-N 1 0 334.851 2.586 50 0 EFAARO Cc1ncc2c(n1)[C@]1(CC2)CCC[N@H+](Cc2cccc3nonc32)C1 ZINC001704313214 1417904840 /nfs/dbraw/zinc/90/48/40/1417904840.db2.gz HDUPAJGCVJAKJL-IBGZPJMESA-N 1 0 335.411 2.801 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)s1 ZINC001704313051 1417905075 /nfs/dbraw/zinc/90/50/75/1417905075.db2.gz LCDMPWHBGQFVQG-UHFFFAOYSA-N 1 0 326.853 2.637 50 0 EFAARO Cc1ncc2c(n1)[C@@]1(CC2)CCC[N@H+](Cc2cccc3nonc32)C1 ZINC001704313218 1417905088 /nfs/dbraw/zinc/90/50/88/1417905088.db2.gz HDUPAJGCVJAKJL-LJQANCHMSA-N 1 0 335.411 2.801 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(Cl)c1 ZINC001704316463 1417905396 /nfs/dbraw/zinc/90/53/96/1417905396.db2.gz QKBPQIPXXDGVFU-UHFFFAOYSA-N 1 0 334.851 2.884 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)CCc1ccc(C)cc1C ZINC001704314835 1417905576 /nfs/dbraw/zinc/90/55/76/1417905576.db2.gz VSQXTHPVYXCFQZ-UHFFFAOYSA-N 1 0 342.487 2.858 50 0 EFAARO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001704337705 1417910330 /nfs/dbraw/zinc/91/03/30/1417910330.db2.gz CWDRXRXTZRYQLG-JKIFEVAISA-N 1 0 342.418 2.562 50 0 EFAARO Cc1cc(C)n(-c2cccc(CN(CCO)Cc3[nH]cnc3C)c2)n1 ZINC001704337743 1417910358 /nfs/dbraw/zinc/91/03/58/1417910358.db2.gz YUWQRKRCHWSYNC-UHFFFAOYSA-N 1 0 339.443 2.515 50 0 EFAARO CN1C[C@@H]2C[C@H]([N@H+](C)Cc3cc(F)c(F)c(F)c3)C[C@@H]2CC1=O ZINC001704340327 1417911570 /nfs/dbraw/zinc/91/15/70/1417911570.db2.gz ZXJVVMBWQGDDSV-FRRDWIJNSA-N 1 0 326.362 2.793 50 0 EFAARO CCc1cc(NCCc2noc(C3CCC3)n2)nc(N2CCCC2)[nH+]1 ZINC001704340907 1417912168 /nfs/dbraw/zinc/91/21/68/1417912168.db2.gz XUROYIIMSGBASR-UHFFFAOYSA-N 1 0 342.447 2.944 50 0 EFAARO Cc1sc2ncnc(N3CC[C@@]4(CO)CCC[N@@H+](C)[C@@H]4C3)c2c1C ZINC001704343578 1417912569 /nfs/dbraw/zinc/91/25/69/1417912569.db2.gz JLLVPXCPAXBLAM-RDTXWAMCSA-N 1 0 346.500 2.591 50 0 EFAARO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCc3cnc(N(C)C)nc32)C1 ZINC001704343032 1417912746 /nfs/dbraw/zinc/91/27/46/1417912746.db2.gz HZJBDYHHGOGZCG-IBGZPJMESA-N 1 0 341.459 2.627 50 0 EFAARO CCc1cc(N[C@H](COC)c2ccnn2C)nc(N2CCCCC2)[nH+]1 ZINC001704343157 1417912763 /nfs/dbraw/zinc/91/27/63/1417912763.db2.gz UEIDAYTZKHSZIX-OAHLLOKOSA-N 1 0 344.463 2.562 50 0 EFAARO CCC[C@H]([NH3+])C(=O)N1CCC2(CC1)OCCc1c3ccccc3[nH]c12 ZINC001704358230 1417915269 /nfs/dbraw/zinc/91/52/69/1417915269.db2.gz GXOVNPLVVTWRTB-INIZCTEOSA-N 1 0 341.455 2.686 50 0 EFAARO c1ccc(N2CC[C@@H]([NH2+]C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000153889432 1418260100 /nfs/dbraw/zinc/26/01/00/1418260100.db2.gz PFWRQAUACFQVAE-HXUWFJFHSA-N 1 0 336.483 2.915 50 0 EFAARO COc1cc([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc(OC)c1O ZINC000002496409 714555331 /nfs/dbraw/zinc/55/53/31/714555331.db2.gz BTSIXDFLURPMCN-GOSISDBHSA-N 1 0 345.395 2.662 50 0 EFAARO Cc1cccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)n1 ZINC000104389689 715399971 /nfs/dbraw/zinc/39/99/71/715399971.db2.gz XKYGMBSDSRJFKC-OAQYLSRUSA-N 1 0 339.483 2.767 50 0 EFAARO CCCCc1nc(CN2CC[N@H+](CC=C(C)C)[C@@H](CCO)C2)c[nH]1 ZINC000022913919 715403608 /nfs/dbraw/zinc/40/36/08/715403608.db2.gz VBXQRPPKBJFTBL-SFHVURJKSA-N 1 0 334.508 2.587 50 0 EFAARO CC(C)c1n[nH]c2c1CN(C1CC[NH+](Cc3cccnc3)CC1)CC2 ZINC000023214803 716011065 /nfs/dbraw/zinc/01/10/65/716011065.db2.gz CJFPWSYQXYIGLV-UHFFFAOYSA-N 1 0 339.487 2.951 50 0 EFAARO O=C([C@H]1CCCO1)N1CCC[N@@H+](CC2CCC(F)(F)CC2)CC1 ZINC000980671625 717577626 /nfs/dbraw/zinc/57/76/26/717577626.db2.gz ZAKYJGQVQMOOFU-OAHLLOKOSA-N 1 0 330.419 2.525 50 0 EFAARO CCn1cc(C[N@H+]2CCC(=O)N(CC3CCCCC3)CC2)c(C)n1 ZINC000023431499 718179880 /nfs/dbraw/zinc/17/98/80/718179880.db2.gz LTVLCXSFMHJXAT-UHFFFAOYSA-N 1 0 332.492 2.826 50 0 EFAARO C[NH2+]CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC)cc21 ZINC000003683829 718409111 /nfs/dbraw/zinc/40/91/11/718409111.db2.gz SXCMUTLJKUDEAC-UHFFFAOYSA-N 1 0 339.395 2.848 50 0 EFAARO C[NH+](C)CC(C)(C)CNC(=O)CC1(n2cccc2)CCSCC1 ZINC000888104582 719049903 /nfs/dbraw/zinc/04/99/03/719049903.db2.gz FYCHQSAMBXKWGB-UHFFFAOYSA-N 1 0 337.533 2.805 50 0 EFAARO C[C@@H](C(=O)N1CCCN(Cc2ccc(F)cc2)CC1)n1cccc1 ZINC000130698531 729130912 /nfs/dbraw/zinc/13/09/12/729130912.db2.gz DNKFMZVNOYADJE-INIZCTEOSA-N 1 0 329.419 2.923 50 0 EFAARO C[NH+]1CCN([C@@H]2C[C@H](c3ccccc3)c3cc(CO)ccc3O2)CC1 ZINC000088323316 1106135479 /nfs/dbraw/zinc/13/54/79/1106135479.db2.gz MKFAYIKDBFKAEH-NQIIRXRSSA-N 1 0 338.451 2.667 50 0 EFAARO C[C@@H](CCn1cccn1)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082092101 1109790510 /nfs/dbraw/zinc/79/05/10/1109790510.db2.gz DMRDCKDWIGJSBY-HNNXBMFYSA-N 1 0 339.443 2.561 50 0 EFAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000004725186 210261805 /nfs/dbraw/zinc/26/18/05/210261805.db2.gz JHALSLBAXTWTGD-UHFFFAOYSA-N 1 0 332.444 2.907 50 0 EFAARO O=C1NCN(c2ccccc2)[C@]12CCC[N@H+](CCc1ccccc1)C2 ZINC000004709237 210254624 /nfs/dbraw/zinc/25/46/24/210254624.db2.gz JXDTXVMMITZPOQ-NRFANRHFSA-N 1 0 335.451 2.658 50 0 EFAARO O=C(NCc1cccc(-c2ccccc2)c1)[C@H]1CCC[N@@H+](CCO)C1 ZINC000097730183 219052093 /nfs/dbraw/zinc/05/20/93/219052093.db2.gz YWMFUZSYMQEOJO-FQEVSTJZSA-N 1 0 338.451 2.674 50 0 EFAARO C[C@@H](CC[NH+]1CCC(n2cc(CCO)nn2)CC1)c1ccccc1 ZINC000055073059 214269224 /nfs/dbraw/zinc/26/92/24/214269224.db2.gz QFOKJUWNFGNLOY-INIZCTEOSA-N 1 0 328.460 2.644 50 0 EFAARO O=c1cc(C[NH+]2CCC([C@H](O)c3ccccn3)CC2)[nH]c2ccccc12 ZINC000097743083 219053500 /nfs/dbraw/zinc/05/35/00/219053500.db2.gz ZNNVDXPNYPRUQW-NRFANRHFSA-N 1 0 349.434 2.869 50 0 EFAARO Cc1ccccc1CN(CC[NH+](C)C)C(=O)c1ccc(CO)cc1 ZINC000055119022 214276248 /nfs/dbraw/zinc/27/62/48/214276248.db2.gz QWGCRJDPFSOEBE-UHFFFAOYSA-N 1 0 326.440 2.691 50 0 EFAARO Cc1c(C[N@H+](C)C2CCSCC2)c(=O)n(-c2ccccc2)n1C ZINC000097745141 219054057 /nfs/dbraw/zinc/05/40/57/219054057.db2.gz ROOMUKBMQDTAIL-UHFFFAOYSA-N 1 0 331.485 2.812 50 0 EFAARO Cc1ccc([C@H](C)CC[NH+]2CCN(c3ccc4nccn4n3)CC2)o1 ZINC000097758059 219054480 /nfs/dbraw/zinc/05/44/80/219054480.db2.gz LDVJQCRNHSWKBD-OAHLLOKOSA-N 1 0 339.443 2.947 50 0 EFAARO Cc1n[nH]cc1C[NH+]1CCC(Cc2nncn2-c2ccccc2)CC1 ZINC000055225837 214291149 /nfs/dbraw/zinc/29/11/49/214291149.db2.gz QTOWDRPXYRDGEB-UHFFFAOYSA-N 1 0 336.443 2.754 50 0 EFAARO Cc1ccc(F)c(NC(=O)CCC(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000055327759 214307820 /nfs/dbraw/zinc/30/78/20/214307820.db2.gz QXTKXQMNNWPDMA-UHFFFAOYSA-N 1 0 337.439 2.557 50 0 EFAARO Cc1ccc(OCC[N@@H+](C)Cc2cccc(OCC(N)=O)c2)c(C)c1 ZINC000055325244 214308118 /nfs/dbraw/zinc/30/81/18/214308118.db2.gz ANMDIOHBHUNGQP-UHFFFAOYSA-N 1 0 342.439 2.678 50 0 EFAARO Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)o1 ZINC000055281442 214300204 /nfs/dbraw/zinc/30/02/04/214300204.db2.gz CFVKRGHOMIZBND-ZDUSSCGKSA-N 1 0 327.384 2.778 50 0 EFAARO CCN(C(C)=O)[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000055281507 214300623 /nfs/dbraw/zinc/30/06/23/214300623.db2.gz GRGRICQYQIQXJS-KRWDZBQOSA-N 1 0 330.407 2.659 50 0 EFAARO O=C(N[C@H]1CC[NH2+]C1)c1cccnc1SC/C=C/c1ccccc1 ZINC000055308555 214305258 /nfs/dbraw/zinc/30/52/58/214305258.db2.gz OWXQLYWXGMFNEM-WHWKNOJMSA-N 1 0 339.464 2.979 50 0 EFAARO CCc1oc(C(=O)NC[C@H]2CC(CC)=NO2)cc1C[NH+](CC)CC ZINC000055371020 214314331 /nfs/dbraw/zinc/31/43/31/214314331.db2.gz QSEGGMMMRUCWNQ-OAHLLOKOSA-N 1 0 335.448 2.969 50 0 EFAARO CCc1oc(C(=O)N2CCCC[C@@H]2CC(N)=O)cc1C[NH+](CC)CC ZINC000055387080 214315529 /nfs/dbraw/zinc/31/55/29/214315529.db2.gz NKDDBQDQNZLUFO-OAHLLOKOSA-N 1 0 349.475 2.554 50 0 EFAARO CCc1oc(C(=O)N[C@H](C)CCn2cccn2)cc1C[NH+]1CCCC1 ZINC000055383828 214315549 /nfs/dbraw/zinc/31/55/49/214315549.db2.gz QCNPTQUSHVSRDY-OAHLLOKOSA-N 1 0 344.459 2.843 50 0 EFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CCn2nnc3ccccc32)cc1 ZINC000055357973 214311357 /nfs/dbraw/zinc/31/13/57/214311357.db2.gz SVVRTWKUJYREAM-UHFFFAOYSA-N 1 0 336.374 2.750 50 0 EFAARO CCn1ccnc1CNC(=O)c1ccc([C@H](C)[NH+]2CCCCC2)o1 ZINC000055413011 214321165 /nfs/dbraw/zinc/32/11/65/214321165.db2.gz CDFSGIAMBSTUBH-AWEZNQCLSA-N 1 0 330.432 2.973 50 0 EFAARO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1NC(=O)c1ccco1 ZINC000055413054 214321656 /nfs/dbraw/zinc/32/16/56/214321656.db2.gz WSTMWMYVSLQRPY-OAHLLOKOSA-N 1 0 341.411 2.616 50 0 EFAARO CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C[C@@H]2CCCC[N@@H+]2C)c1 ZINC000055413770 214321773 /nfs/dbraw/zinc/32/17/73/214321773.db2.gz OPHICVSBGWTGNL-AWEZNQCLSA-N 1 0 337.851 2.855 50 0 EFAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000097773262 219056541 /nfs/dbraw/zinc/05/65/41/219056541.db2.gz FQUKTNNDIRSUKK-CYBMUJFWSA-N 1 0 342.418 2.915 50 0 EFAARO CC(C)=CC[NH+]1CCC2(CC[C@H](CNC(=O)c3ncoc3C)O2)CC1 ZINC000097776117 219057183 /nfs/dbraw/zinc/05/71/83/219057183.db2.gz SLYSJIOTOPMBFP-MRXNPFEDSA-N 1 0 347.459 2.693 50 0 EFAARO Cn1cc(CCCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000174507355 231226143 /nfs/dbraw/zinc/22/61/43/231226143.db2.gz HVZRLDNFRITIDG-IBGZPJMESA-N 1 0 340.471 2.524 50 0 EFAARO COc1cc([C@H]2[NH2+]CCC3(OCCO3)C2(C)C)cc(OC)c1OC ZINC000004671547 210243161 /nfs/dbraw/zinc/24/31/61/210243161.db2.gz GVYFCWVBYINXJW-MRXNPFEDSA-N 1 0 337.416 2.516 50 0 EFAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)Cc1ccc(O)cc1 ZINC000063844380 214769535 /nfs/dbraw/zinc/76/95/35/214769535.db2.gz KDVWHBLBXYQUNW-UHFFFAOYSA-N 1 0 332.469 2.895 50 0 EFAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]CCCN3CCOCC3)o2)cc1 ZINC000004512832 210210566 /nfs/dbraw/zinc/21/05/66/210210566.db2.gz DMCDXVZRZITAOS-INIZCTEOSA-N 1 0 344.455 2.812 50 0 EFAARO CCOc1c(Cl)cc(C[NH2+]CCCN2CCOCC2)cc1OC ZINC000004488526 210201329 /nfs/dbraw/zinc/20/13/29/210201329.db2.gz YEFJEIJKEGJCHS-UHFFFAOYSA-N 1 0 342.867 2.559 50 0 EFAARO CC[NH+](CC)CCNC(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000004412114 210188938 /nfs/dbraw/zinc/18/89/38/210188938.db2.gz VLPLVBQNMDHEDS-UHFFFAOYSA-N 1 0 348.472 2.967 50 0 EFAARO Cc1ccccc1OCC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000004385387 210184933 /nfs/dbraw/zinc/18/49/33/210184933.db2.gz JIUBREHWTIAUOF-UHFFFAOYSA-N 1 0 339.439 2.764 50 0 EFAARO CCOC(=O)C1CC[NH+](C[C@H](O)COc2cc(C)cc(C)c2C)CC1 ZINC000004305213 210164606 /nfs/dbraw/zinc/16/46/06/210164606.db2.gz JWHZKWRFLFSECH-SFHVURJKSA-N 1 0 349.471 2.627 50 0 EFAARO C[C@@H]1CCC[N@H+](C[C@H](O)COCCOc2ccc(Cl)cc2)C1 ZINC000004279097 210159635 /nfs/dbraw/zinc/15/96/35/210159635.db2.gz MYBQEMJOUOSTPB-ZBFHGGJFSA-N 1 0 327.852 2.828 50 0 EFAARO Cc1cc(C)n([C@@H]2CCN(C(=O)C3([NH+]4CCCC4)CCCC3)C2)n1 ZINC000065410518 214900506 /nfs/dbraw/zinc/90/05/06/214900506.db2.gz VPDUTGHCILFNBH-QGZVFWFLSA-N 1 0 330.476 2.682 50 0 EFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000004163379 210135254 /nfs/dbraw/zinc/13/52/54/210135254.db2.gz XJOYTTJOOXXVOB-CQSZACIVSA-N 1 0 327.428 2.731 50 0 EFAARO C[NH+]1CCC(CNC(=O)c2ccc(Oc3cccnc3)cc2)CC1 ZINC000065604639 214974883 /nfs/dbraw/zinc/97/48/83/214974883.db2.gz LEFFCBLNRODXPG-UHFFFAOYSA-N 1 0 325.412 2.946 50 0 EFAARO COc1ccc([C@@H](O)[C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(OC)cc2)cc1 ZINC000004018941 210101061 /nfs/dbraw/zinc/10/10/61/210101061.db2.gz SLMWVFCNXTYGHR-FEBSWUBLSA-N 1 0 345.439 2.837 50 0 EFAARO O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000102465427 219205078 /nfs/dbraw/zinc/20/50/78/219205078.db2.gz RBJHUPGEZHPFHU-PIIMJCKOSA-N 1 0 334.423 2.884 50 0 EFAARO CCc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc[nH]3)C2)nc1 ZINC000067432376 215144687 /nfs/dbraw/zinc/14/46/87/215144687.db2.gz MHHSQDCWHPNMGP-INIZCTEOSA-N 1 0 326.444 2.614 50 0 EFAARO Cc1ncc(C[N@@H+]2CC[C@H](CNC(=O)CC3=CCCCC3)C2)cn1 ZINC000067434666 215144936 /nfs/dbraw/zinc/14/49/36/215144936.db2.gz JKVYOWGMUVUBDR-QGZVFWFLSA-N 1 0 328.460 2.614 50 0 EFAARO COC(=O)c1cc2n(n1)CCCN(Cc1cccc3ncccc13)C2 ZINC000067447029 215146920 /nfs/dbraw/zinc/14/69/20/215146920.db2.gz WZKPQSGGEUBADZ-UHFFFAOYSA-N 1 0 336.395 2.624 50 0 EFAARO CC(C)[C@@H]([NH3+])C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067447414 215148565 /nfs/dbraw/zinc/14/85/65/215148565.db2.gz YSXVXOJWIIJEJF-OAHLLOKOSA-N 1 0 335.354 2.752 50 0 EFAARO O=C(c1cccnc1N1CCCC2(CC[NH2+]CC2)CC1)N1CCCC1 ZINC000067490055 215153115 /nfs/dbraw/zinc/15/31/15/215153115.db2.gz BPICCKCSCIPRHR-UHFFFAOYSA-N 1 0 342.487 2.678 50 0 EFAARO Cc1nnsc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000067489626 215153701 /nfs/dbraw/zinc/15/37/01/215153701.db2.gz FSLUIXNIEJKNMM-CYBMUJFWSA-N 1 0 348.447 2.628 50 0 EFAARO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cccc(O)c3)C2)cc1 ZINC000067588006 215165106 /nfs/dbraw/zinc/16/51/06/215165106.db2.gz OYZYOXMFGRYMBT-INIZCTEOSA-N 1 0 340.423 2.653 50 0 EFAARO Cc1oc(-c2ccccc2C)nc1CN1CC[NH+](CCCCO)CC1 ZINC000067540588 215159971 /nfs/dbraw/zinc/15/99/71/215159971.db2.gz YUQRVOMSGYQYEP-UHFFFAOYSA-N 1 0 343.471 2.849 50 0 EFAARO CNc1ccccc1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000067561582 215161759 /nfs/dbraw/zinc/16/17/59/215161759.db2.gz FOLBDIARMWVFSE-MRXNPFEDSA-N 1 0 339.439 2.686 50 0 EFAARO CCc1ncc(C[N@@H+]2CC[C@@H](CNC(=O)C3CCCCC3)C2)cn1 ZINC000067588283 215166416 /nfs/dbraw/zinc/16/64/16/215166416.db2.gz 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2.664 50 0 EFAARO C[C@H](COc1ccc2ccc(=O)oc2c1)[NH2+]Cc1cn2ccccc2n1 ZINC000067712910 215191753 /nfs/dbraw/zinc/19/17/53/215191753.db2.gz VAWWXLJNYGCIKW-CQSZACIVSA-N 1 0 349.390 2.998 50 0 EFAARO CC(=O)NC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cc(C)ccc2C)C1 ZINC000067713639 215194206 /nfs/dbraw/zinc/19/42/06/215194206.db2.gz DWLYQIDWKAGONB-INIZCTEOSA-N 1 0 326.444 2.652 50 0 EFAARO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000067723474 215194401 /nfs/dbraw/zinc/19/44/01/215194401.db2.gz FKSCTCYFSOKJMN-KRWDZBQOSA-N 1 0 344.503 2.923 50 0 EFAARO Nc1cccc(C(=O)NC[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)c1 ZINC000067723770 215194675 /nfs/dbraw/zinc/19/46/75/215194675.db2.gz WEZXZGJBXFWHDS-CYBMUJFWSA-N 1 0 345.393 2.799 50 0 EFAARO Cc1c2ccccc2oc1CNc1nc(N(C)C)nc2c1CC[NH2+]C2 ZINC000067689261 215185643 /nfs/dbraw/zinc/18/56/43/215185643.db2.gz SWPJSOGRMAKFLZ-UHFFFAOYSA-N 1 0 337.427 2.855 50 0 EFAARO COc1ccc2[nH]c(C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)c(C)c2c1 ZINC000067691767 215185900 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COc1ccc(-n2ccnc2CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000067771391 215208068 /nfs/dbraw/zinc/20/80/68/215208068.db2.gz GQYKODMKIDZQLF-OAHLLOKOSA-N 1 0 337.427 2.984 50 0 EFAARO c1c[nH]c(-c2c(-c3ccccc3)ncn2CCC[NH+]2CCOCC2)n1 ZINC000067787418 215211694 /nfs/dbraw/zinc/21/16/94/215211694.db2.gz SYDZMRCLWVQUMF-UHFFFAOYSA-N 1 0 337.427 2.663 50 0 EFAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3cncc(C)c3)cnn2c1 ZINC000067787562 215212872 /nfs/dbraw/zinc/21/28/72/215212872.db2.gz KCWCVPICJUMSJS-UHFFFAOYSA-N 1 0 338.415 2.527 50 0 EFAARO CCc1cccc(OCCCN(C)c2ncnc3c2CC[NH2+]C3)c1 ZINC000067803079 215215508 /nfs/dbraw/zinc/21/55/08/215215508.db2.gz LCRLFBABYFCGMJ-UHFFFAOYSA-N 1 0 326.444 2.590 50 0 EFAARO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(N3Cc4ccccc4C3)c2)C1 ZINC000067818918 215221354 /nfs/dbraw/zinc/22/13/54/215221354.db2.gz UHWVBKNBFIDQLL-INIZCTEOSA-N 1 0 335.451 2.888 50 0 EFAARO O=c1[nH]ccn1CCC[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000067821076 215221581 /nfs/dbraw/zinc/22/15/81/215221581.db2.gz ZIJYIQZMFVFKHE-UHFFFAOYSA-N 1 0 349.438 2.542 50 0 EFAARO CCc1ccc(C[NH+]2CCC(CNC(=O)c3ccncc3)CC2)nc1 ZINC000067820526 215222245 /nfs/dbraw/zinc/22/22/45/215222245.db2.gz RLYIHJMLGQYWED-UHFFFAOYSA-N 1 0 338.455 2.681 50 0 EFAARO CCOc1ccc2[nH]c(=O)c(C[N@H+](C)C[C@@H]3CCCCO3)cc2c1 ZINC000067833400 215223619 /nfs/dbraw/zinc/22/36/19/215223619.db2.gz RDKSGNAEBYLEGK-KRWDZBQOSA-N 1 0 330.428 2.928 50 0 EFAARO O=C1N(CCC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1ccoc1 ZINC000067803723 215216915 /nfs/dbraw/zinc/21/69/15/215216915.db2.gz QJZQQQLMBWNFEM-LJQANCHMSA-N 1 0 334.460 2.693 50 0 EFAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000067840507 215225706 /nfs/dbraw/zinc/22/57/06/215225706.db2.gz LBZTZAIAKFOFDD-HNNXBMFYSA-N 1 0 325.412 2.716 50 0 EFAARO CC(C)C[N@H+](C)C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067840321 215226148 /nfs/dbraw/zinc/22/61/48/215226148.db2.gz IIHODVSHHVGTKT-FQEVSTJZSA-N 1 0 332.488 2.561 50 0 EFAARO O=C(Cc1ccccn1)NC[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000067849995 215230108 /nfs/dbraw/zinc/23/01/08/215230108.db2.gz GNPVQAWUTQPQGP-CQSZACIVSA-N 1 0 345.393 2.541 50 0 EFAARO OCCC1CC[NH+](Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 ZINC000067872887 215237191 /nfs/dbraw/zinc/23/71/91/215237191.db2.gz IWFUAMQLRBFEJD-UHFFFAOYSA-N 1 0 336.439 2.991 50 0 EFAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000067878560 215237602 /nfs/dbraw/zinc/23/76/02/215237602.db2.gz DPJZTFCZRBJMKM-HNNXBMFYSA-N 1 0 339.439 2.502 50 0 EFAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCc2nc(C)cc(C(F)(F)F)n2)n1 ZINC000067879556 215238584 /nfs/dbraw/zinc/23/85/84/215238584.db2.gz YCZLGFXXLRNFHS-LBPRGKRZSA-N 1 0 341.381 2.838 50 0 EFAARO CC(C)C[NH2+]C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067878953 215239380 /nfs/dbraw/zinc/23/93/80/215239380.db2.gz OPWQTWYWNSNUGK-HXUWFJFHSA-N 1 0 332.488 2.909 50 0 EFAARO COc1ccc(OC)c(-c2nc(CN3[C@@H]4CC[C@H]3C[NH2+]C4)c(C)o2)c1 ZINC000067868125 215234085 /nfs/dbraw/zinc/23/40/85/215234085.db2.gz HFMBWTRDDRLFNS-OKILXGFUSA-N 1 0 343.427 2.603 50 0 EFAARO C/C(=C\c1ccco1)C[N@@H+]1CC[C@@H](CNC(=O)c2cnc(C)cn2)C1 ZINC000067919713 215249868 /nfs/dbraw/zinc/24/98/68/215249868.db2.gz SSWDQNMSTRAYSB-SBNBMVPLSA-N 1 0 340.427 2.533 50 0 EFAARO CCc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2[nH]cnc2C)C1 ZINC000067909899 215248851 /nfs/dbraw/zinc/24/88/51/215248851.db2.gz ILCZJJDJLGFXPI-INIZCTEOSA-N 1 0 340.471 2.923 50 0 EFAARO O=C(Cc1ccccn1)NCC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000067920354 215249279 /nfs/dbraw/zinc/24/92/79/215249279.db2.gz ZXJXNVXKQOJASE-UHFFFAOYSA-N 1 0 349.478 2.620 50 0 EFAARO Cc1cccnc1[C@H]([NH2+]CC(=O)Nc1nc2ccccc2[nH]1)C1CC1 ZINC000067921122 215250953 /nfs/dbraw/zinc/25/09/53/215250953.db2.gz KSEUEPCGLURWFU-GOSISDBHSA-N 1 0 335.411 2.946 50 0 EFAARO CCC[NH+]1CCC(NC(=O)c2cc(COc3ccccc3)n[nH]2)CC1 ZINC000067921914 215252032 /nfs/dbraw/zinc/25/20/32/215252032.db2.gz KIALMGYCBAGHDA-UHFFFAOYSA-N 1 0 342.443 2.593 50 0 EFAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)Cc2[nH]nc3c2CCC3)n1 ZINC000067974025 215264005 /nfs/dbraw/zinc/26/40/05/215264005.db2.gz INMSZRPQXQUPEU-DYVFJYSZSA-N 1 0 326.448 2.961 50 0 EFAARO Cc1cc(C)n(C[C@H](C)[NH2+]C2CCN(c3ccc(Cl)nn3)CC2)n1 ZINC000067974737 215264039 /nfs/dbraw/zinc/26/40/39/215264039.db2.gz SZTKUGFKALKADI-ZDUSSCGKSA-N 1 0 348.882 2.590 50 0 EFAARO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000067982141 215266159 /nfs/dbraw/zinc/26/61/59/215266159.db2.gz VVOPPASAMUPBKM-CQSZACIVSA-N 1 0 335.448 2.946 50 0 EFAARO Cc1ccc(C2(O)CC[NH+](C[C@H]3COc4ccccc4O3)CC2)nc1 ZINC000067981919 215266544 /nfs/dbraw/zinc/26/65/44/215266544.db2.gz KKSFBCQQWZTCQR-INIZCTEOSA-N 1 0 340.423 2.513 50 0 EFAARO O=C(C[NH+]1CCCC1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067973744 215264239 /nfs/dbraw/zinc/26/42/39/215264239.db2.gz LLDBPYQBHQJILB-OAHLLOKOSA-N 1 0 343.254 2.989 50 0 EFAARO O=C(Cc1noc2ccccc12)NC[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000067975658 215264923 /nfs/dbraw/zinc/26/49/23/215264923.db2.gz STMHXJILKQGSJA-AWEZNQCLSA-N 1 0 339.395 2.602 50 0 EFAARO Cn1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c2cc(F)ccc21 ZINC000001430326 282681479 /nfs/dbraw/zinc/68/14/79/282681479.db2.gz OSJNTIKTWWZWEU-INIZCTEOSA-N 1 0 334.358 2.763 50 0 EFAARO C[N@@H+]1CCN(Cc2cccc(OCc3ccccc3)c2)C[C@H]1CCO ZINC000104476442 219388293 /nfs/dbraw/zinc/38/82/93/219388293.db2.gz NMYICTCICSAGAL-HXUWFJFHSA-N 1 0 340.467 2.764 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1CCO ZINC000104467258 219388701 /nfs/dbraw/zinc/38/87/01/219388701.db2.gz WJENQJNEPSSZMO-LJQANCHMSA-N 1 0 342.487 2.601 50 0 EFAARO COc1cc(CN2CC[N@@H+](C3CCCC3)C[C@H]2CCO)cc(OC)c1 ZINC000104526931 219393183 /nfs/dbraw/zinc/39/31/83/219393183.db2.gz ZSKZHQFIZUCABF-GOSISDBHSA-N 1 0 348.487 2.515 50 0 EFAARO CC(=O)c1cc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)cs1 ZINC000039447097 213236855 /nfs/dbraw/zinc/23/68/55/213236855.db2.gz YQIONGYWILPVCK-MRXNPFEDSA-N 1 0 338.517 2.865 50 0 EFAARO Cn1cccc1[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)[NH+](C)C ZINC000038674653 213220207 /nfs/dbraw/zinc/22/02/07/213220207.db2.gz KGVWIOKZSQWCJD-QGZVFWFLSA-N 1 0 338.411 2.713 50 0 EFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC1CCCCC1 ZINC000038592875 213216555 /nfs/dbraw/zinc/21/65/55/213216555.db2.gz CHSMFLKBDDEPSW-UHFFFAOYSA-N 1 0 344.503 2.831 50 0 EFAARO C[C@@H](C[NH+](C)C)C(=O)NCc1cccnc1Oc1ccccc1F ZINC000071315131 215758384 /nfs/dbraw/zinc/75/83/84/215758384.db2.gz WDQLWDJDMWKCHR-ZDUSSCGKSA-N 1 0 331.391 2.827 50 0 EFAARO Cc1cc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)sc1-c1ccccc1 ZINC000072120778 216014010 /nfs/dbraw/zinc/01/40/10/216014010.db2.gz KZYIIJJNLZZLKM-IBGZPJMESA-N 1 0 344.480 2.862 50 0 EFAARO COCCN(Cc1nccs1)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072125477 216016383 /nfs/dbraw/zinc/01/63/83/216016383.db2.gz HRWJXNBQUZELCP-AWEZNQCLSA-N 1 0 345.468 2.509 50 0 EFAARO C[NH+]1CCC(N(Cc2cccnc2)Cc2ccc3c(c2)OCO3)CC1 ZINC000072126341 216018156 /nfs/dbraw/zinc/01/81/56/216018156.db2.gz SEOOGVHFJPEWGJ-UHFFFAOYSA-N 1 0 339.439 2.907 50 0 EFAARO C[N@@H+]1CC[C@@]2(CCN(c3cc(-c4ccccc4)nc4ccnn43)C2)C1 ZINC000072130812 216020670 /nfs/dbraw/zinc/02/06/70/216020670.db2.gz NEJVBUZQTHSGGL-HXUWFJFHSA-N 1 0 333.439 2.928 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CCC[C@]3(CN(C)C(=O)O3)CC1)CCC2 ZINC000072133237 216022127 /nfs/dbraw/zinc/02/21/27/216022127.db2.gz BALJCTWHXUXRLX-HXUWFJFHSA-N 1 0 344.455 2.991 50 0 EFAARO Fc1ccc(CC[C@@H]2CCC[N@H+](CCCn3cnnn3)C2)c(F)c1 ZINC000072135187 216024028 /nfs/dbraw/zinc/02/40/28/216024028.db2.gz QUPMSQNNZDAHIU-AWEZNQCLSA-N 1 0 335.402 2.686 50 0 EFAARO COc1cccc([C@@H]2CN(c3nncs3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072137112 216025290 /nfs/dbraw/zinc/02/52/90/216025290.db2.gz AONNXSUXEXMNOZ-GVDBMIGSSA-N 1 0 342.468 2.613 50 0 EFAARO Fc1cccc([C@@H]2CN(Cc3ncc[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1F ZINC000072139169 216025674 /nfs/dbraw/zinc/02/56/74/216025674.db2.gz IHWATVNLCVYWEA-GDIGMMSISA-N 1 0 344.409 2.750 50 0 EFAARO O=C(C[C@@H]1COCC[NH2+]1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000072146382 216033443 /nfs/dbraw/zinc/03/34/43/216033443.db2.gz SGIYFTAEUFTNGP-OAHLLOKOSA-N 1 0 336.395 2.547 50 0 EFAARO CN1C[C@@]2(CCC[N@H+](Cc3nc4c(s3)CCCC4)CC2)OC1=O ZINC000072146829 216033591 /nfs/dbraw/zinc/03/35/91/216033591.db2.gz CSIFOBVYWAZILH-KRWDZBQOSA-N 1 0 335.473 2.829 50 0 EFAARO C[NH+](C)C[C@H]1COCCN(Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000072149945 216038315 /nfs/dbraw/zinc/03/83/15/216038315.db2.gz VHUDVPQOHNFJIM-OAHLLOKOSA-N 1 0 348.878 2.536 50 0 EFAARO COc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCOC(C)(C)C3)CC2)c1 ZINC000072151126 216039885 /nfs/dbraw/zinc/03/98/85/216039885.db2.gz KQPPUWKWPZBIMO-MRXNPFEDSA-N 1 0 346.471 2.658 50 0 EFAARO CN(Cc1ncc[nH]1)c1nc(-c2c[nH]c3ccccc23)nc2c1C[NH2+]C2 ZINC000072153820 216041789 /nfs/dbraw/zinc/04/17/89/216041789.db2.gz JACTUAZRPNYQPD-UHFFFAOYSA-N 1 0 345.410 2.588 50 0 EFAARO Cc1nnnn1CCC[N@@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000072149088 216036857 /nfs/dbraw/zinc/03/68/57/216036857.db2.gz ALTGUDYPOJIREQ-QGZVFWFLSA-N 1 0 331.439 2.856 50 0 EFAARO COc1cccc(-c2cc(C(=O)N3CCC[C@H]([NH+](C)C)CC3)[nH]n2)c1 ZINC000072148679 216037189 /nfs/dbraw/zinc/03/71/89/216037189.db2.gz RNOSAOYJBGGJIF-HNNXBMFYSA-N 1 0 342.443 2.642 50 0 EFAARO Cc1ccc2nc(C[N@@H+]3CCCC[C@H]3CCN3CCOCC3)cn2c1 ZINC000072150163 216037989 /nfs/dbraw/zinc/03/79/89/216037989.db2.gz LTAXEDDBULYGOF-IBGZPJMESA-N 1 0 342.487 2.720 50 0 EFAARO O=C(C[C@H]1COCC[NH2+]1)NCCC(c1ccccc1)c1ccccc1 ZINC000072161570 216049970 /nfs/dbraw/zinc/04/99/70/216049970.db2.gz BKEHJVUSNUSSIT-IBGZPJMESA-N 1 0 338.451 2.703 50 0 EFAARO COc1ccc(CN2CCC[N@H+](Cc3ccncc3)CC2)c(F)c1 ZINC000072159051 216048495 /nfs/dbraw/zinc/04/84/95/216048495.db2.gz PJEGKFZALMWESW-UHFFFAOYSA-N 1 0 329.419 2.937 50 0 EFAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000072158835 216048871 /nfs/dbraw/zinc/04/88/71/216048871.db2.gz FMXWTHJZHDSLGG-INIZCTEOSA-N 1 0 326.444 2.658 50 0 EFAARO CCc1cc(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)ccn1 ZINC000072167534 216057090 /nfs/dbraw/zinc/05/70/90/216057090.db2.gz QPGUWDLBZJCKKR-OAQYLSRUSA-N 1 0 349.478 2.959 50 0 EFAARO COc1cc(N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)ncn1 ZINC000072167148 216057852 /nfs/dbraw/zinc/05/78/52/216057852.db2.gz FMXBTBDNWHBSPS-QGZVFWFLSA-N 1 0 326.444 2.629 50 0 EFAARO CSCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072163298 216051427 /nfs/dbraw/zinc/05/14/27/216051427.db2.gz NETIHYCUKVDUQE-QXAKKESOSA-N 1 0 330.497 2.747 50 0 EFAARO c1ccc(Cc2noc(-c3ccc(NC4CC[NH2+]CC4)nc3)n2)cc1 ZINC000072171282 216061788 /nfs/dbraw/zinc/06/17/88/216061788.db2.gz HEIRDMMDMHHHRK-UHFFFAOYSA-N 1 0 335.411 2.886 50 0 EFAARO CC(C)c1nc2c(cnn2C)c(N2CC([N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000072171145 216062447 /nfs/dbraw/zinc/06/24/47/216062447.db2.gz QZSDZZGDYGCNGE-ZDUSSCGKSA-N 1 0 328.464 2.550 50 0 EFAARO O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCCC1 ZINC000072270628 216093098 /nfs/dbraw/zinc/09/30/98/216093098.db2.gz KEIWJERWWKHGBJ-HKUYNNGSSA-N 1 0 338.455 2.953 50 0 EFAARO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270670 216093820 /nfs/dbraw/zinc/09/38/20/216093820.db2.gz UAGPPCIGYYEKJB-KBPBESRZSA-N 1 0 344.484 2.624 50 0 EFAARO [NH3+]Cc1cc(F)c(I)cc1Br ZINC000169797854 283527300 /nfs/dbraw/zinc/52/73/00/283527300.db2.gz IWGYLIWZWADWML-UHFFFAOYSA-N 1 0 329.938 2.652 50 0 EFAARO C[C@H](C(=O)NCC1(c2ccccc2)CCOCC1)[NH+]1CCCCC1 ZINC000000209553 209485438 /nfs/dbraw/zinc/48/54/38/209485438.db2.gz PEQPXWXFRBSBCY-QGZVFWFLSA-N 1 0 330.472 2.725 50 0 EFAARO C[N@@H+]1CCCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000072404003 216195949 /nfs/dbraw/zinc/19/59/49/216195949.db2.gz SVTHCNNBKJYCAB-FQEVSTJZSA-N 1 0 340.467 2.731 50 0 EFAARO CNc1cc(C)nc(N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)n1 ZINC000072406827 216197222 /nfs/dbraw/zinc/19/72/22/216197222.db2.gz XBIRUZHLZAUBEF-QGZVFWFLSA-N 1 0 337.471 2.870 50 0 EFAARO COc1ccc(Oc2cccc(C[N@@H+]3CCC[C@@](O)(CO)C3)c2)cc1 ZINC000072409463 216201180 /nfs/dbraw/zinc/20/11/80/216201180.db2.gz WEWSCJIPFVJUDO-FQEVSTJZSA-N 1 0 343.423 2.807 50 0 EFAARO Cc1ncc2c(c1CNC(=O)Cc1ccc(F)cc1Cl)CC[NH2+]C2 ZINC000072406950 216198550 /nfs/dbraw/zinc/19/85/50/216198550.db2.gz OYIUYTGZHBKEIL-UHFFFAOYSA-N 1 0 347.821 2.687 50 0 EFAARO CC(C)(O)CCc1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)cc1 ZINC000072408228 216199763 /nfs/dbraw/zinc/19/97/63/216199763.db2.gz KAGZCLLIRDASRF-UHFFFAOYSA-N 1 0 346.471 2.807 50 0 EFAARO Cn1c(CN2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)cc2ccccc21 ZINC000072410972 216202871 /nfs/dbraw/zinc/20/28/71/216202871.db2.gz WMGMTDVUIZFONU-LJQANCHMSA-N 1 0 327.472 2.599 50 0 EFAARO Cc1ncc2c(c1CNC(=O)CCCOc1ccccc1)CC[NH2+]C2 ZINC000072411822 216204084 /nfs/dbraw/zinc/20/40/84/216204084.db2.gz HJLDXOJAOCIDAX-UHFFFAOYSA-N 1 0 339.439 2.511 50 0 EFAARO CC(C)(O)CCc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000072422140 216209715 /nfs/dbraw/zinc/20/97/15/216209715.db2.gz MMNIWOUBMPWTEQ-GOSISDBHSA-N 1 0 330.472 2.700 50 0 EFAARO Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CC[C@@]3(CN(C)C(=O)O3)C2)c1 ZINC000072422051 216209813 /nfs/dbraw/zinc/20/98/13/216209813.db2.gz KABFASYTYBAMNR-LJQANCHMSA-N 1 0 340.427 2.516 50 0 EFAARO O=C(c1cscn1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072423064 216212216 /nfs/dbraw/zinc/21/22/16/216212216.db2.gz OJLZQCDUOHYWIU-UHFFFAOYSA-N 1 0 331.485 2.870 50 0 EFAARO Cc1cccc(N2CCC([N@@H+]3CCC[C@@]4(CNC(=O)O4)C3)CC2)c1C ZINC000072426896 216217603 /nfs/dbraw/zinc/21/76/03/216217603.db2.gz ZPKMFFVFCKNKAE-HXUWFJFHSA-N 1 0 343.471 2.847 50 0 EFAARO COc1ccc([C@@H](C)Nc2nc(C)nc3c2CC[NH2+]CC3)cc1F ZINC000072428468 216219256 /nfs/dbraw/zinc/21/92/56/216219256.db2.gz WHLFEKICUJVZPB-LLVKDONJSA-N 1 0 330.407 2.794 50 0 EFAARO O=C(CCCc1ccccc1)N1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000072426503 216217758 /nfs/dbraw/zinc/21/77/58/216217758.db2.gz CFNWDDNYUWTZCV-FQEVSTJZSA-N 1 0 344.499 2.847 50 0 EFAARO c1cn([C@H]2COC3(C2)CCCCC3)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072433716 216227855 /nfs/dbraw/zinc/22/78/55/216227855.db2.gz RHOLRNUOMYWHOU-MRXNPFEDSA-N 1 0 341.459 2.904 50 0 EFAARO c1cn([C@@H]2COC3(C2)CCCCC3)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072433717 216228612 /nfs/dbraw/zinc/22/86/12/216228612.db2.gz RHOLRNUOMYWHOU-INIZCTEOSA-N 1 0 341.459 2.904 50 0 EFAARO c1nc(-c2ccccc2)sc1CNc1ncnc2c1CC[NH2+]CC2 ZINC000072434555 216229513 /nfs/dbraw/zinc/22/95/13/216229513.db2.gz YTXVVBCJRUQMJS-UHFFFAOYSA-N 1 0 337.452 2.900 50 0 EFAARO Cn1cnnc1C1CC[NH+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072458225 216244187 /nfs/dbraw/zinc/24/41/87/216244187.db2.gz HGRGQZOZSVYKFP-UHFFFAOYSA-N 1 0 342.487 2.898 50 0 EFAARO Cc1nc(C)c(CNc2nc(CC3CC3)nc3c2CC[NH2+]CC3)s1 ZINC000072457026 216243064 /nfs/dbraw/zinc/24/30/64/216243064.db2.gz UEFQSYQWIYCQOE-UHFFFAOYSA-N 1 0 343.500 2.803 50 0 EFAARO Fc1ccc(F)c(C2(n3ccnc3-c3cc4n(n3)CC[NH2+]C4)CC2)c1 ZINC000072458140 216244071 /nfs/dbraw/zinc/24/40/71/216244071.db2.gz HOJCRYIOOCBJHP-UHFFFAOYSA-N 1 0 341.365 2.665 50 0 EFAARO Cc1ncc2c(c1CNC(=O)C[C@@H]1CCc3ccccc31)CC[NH2+]C2 ZINC000072473005 216249996 /nfs/dbraw/zinc/24/99/96/216249996.db2.gz LMIXLTVOJXVESZ-INIZCTEOSA-N 1 0 335.451 2.772 50 0 EFAARO O=C([C@@H](O)c1cccc(Cl)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000072473469 216250112 /nfs/dbraw/zinc/25/01/12/216250112.db2.gz RYAMFSLNIYWPJD-KRWDZBQOSA-N 1 0 336.863 2.850 50 0 EFAARO CC(C)(CN1CCN(CCOc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000072474814 216251568 /nfs/dbraw/zinc/25/15/68/216251568.db2.gz PEUYNGRYZGNJGT-UHFFFAOYSA-N 1 0 345.531 2.948 50 0 EFAARO O=C1OC2(CN1CCc1ccccc1)CC[NH+]([C@@H]1CCCOC1)CC2 ZINC000072468769 216247768 /nfs/dbraw/zinc/24/77/68/216247768.db2.gz WTHYVDCNIJPIOE-GOSISDBHSA-N 1 0 344.455 2.695 50 0 EFAARO CNc1cc(C)nc(N[C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072468611 216247882 /nfs/dbraw/zinc/24/78/82/216247882.db2.gz OAROLNUIMXEFDR-KRWDZBQOSA-N 1 0 325.460 2.946 50 0 EFAARO c1cn([C@H]2CCc3ccccc3C2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072468969 216248660 /nfs/dbraw/zinc/24/86/60/216248660.db2.gz RSCMWKVEPZWHMI-KRWDZBQOSA-N 1 0 333.439 2.970 50 0 EFAARO CC(C)=CC[N@@H+]1CCN(c2ncnc3c(C)csc32)C[C@H]1CCO ZINC000072470361 216248683 /nfs/dbraw/zinc/24/86/83/216248683.db2.gz MPAMUERODIAUDH-OAHLLOKOSA-N 1 0 346.500 2.839 50 0 EFAARO OC1CC[NH+](C2CCN(Cc3cc(F)cc(Cl)c3)CC2)CC1 ZINC000072476259 216254866 /nfs/dbraw/zinc/25/48/66/216254866.db2.gz KUBHCXOZRQZUDH-UHFFFAOYSA-N 1 0 326.843 2.900 50 0 EFAARO O=C1C[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)CN1c1ccccc1 ZINC000072481555 216261778 /nfs/dbraw/zinc/26/17/78/216261778.db2.gz SPDYXQGTMFPTFW-KRWDZBQOSA-N 1 0 332.407 2.767 50 0 EFAARO COc1cc(C)ccc1C(=O)N1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000072478591 216257473 /nfs/dbraw/zinc/25/74/73/216257473.db2.gz QOLHYIRQYRVLHO-INIZCTEOSA-N 1 0 346.471 2.577 50 0 EFAARO Cc1nc2c(c(NC[C@H]3CCc4ccccc4O3)n1)CC[N@H+](C)CC2 ZINC000072479032 216258174 /nfs/dbraw/zinc/25/81/74/216258174.db2.gz KPLWCWOZSPATGT-MRXNPFEDSA-N 1 0 338.455 2.621 50 0 EFAARO CN1C[C@]2(CCC[N@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)OC1=O ZINC000072480023 216259420 /nfs/dbraw/zinc/25/94/20/216259420.db2.gz DQCBHRBMLGGGSN-FQEVSTJZSA-N 1 0 346.471 2.807 50 0 EFAARO c1c(C2CC2)nnn1CC1CC[NH+](C2CSCCSC2)CC1 ZINC000023581381 212383217 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Cc1ccc(OCC(=O)N2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019841923 212075074 /nfs/dbraw/zinc/07/50/74/212075074.db2.gz PSSBCZKPPVJWCN-CEXWTWQISA-N 1 0 340.467 2.730 50 0 EFAARO Clc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H](N3CCOCC3)C1)CO2 ZINC000019837407 212074601 /nfs/dbraw/zinc/07/46/01/212074601.db2.gz IBIAHXXQXDPZDT-SFHVURJKSA-N 1 0 348.874 2.912 50 0 EFAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019811603 212070981 /nfs/dbraw/zinc/07/09/81/212070981.db2.gz PSCXELSJQDUZAO-IBGZPJMESA-N 1 0 326.440 2.557 50 0 EFAARO Cc1nc(C)c(C[NH+]2CCC(n3cc(C4CC4)nn3)CC2)nc1C ZINC000019792739 212068240 /nfs/dbraw/zinc/06/82/40/212068240.db2.gz UTHKTFNNUAHJNG-UHFFFAOYSA-N 1 0 326.448 2.708 50 0 EFAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)CCc2cnn(C)c2)c(F)c1 ZINC000019781771 212065211 /nfs/dbraw/zinc/06/52/11/212065211.db2.gz UKYQXYDQAMNQIN-UHFFFAOYSA-N 1 0 343.406 2.632 50 0 EFAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3cccc(F)c3)C2=O)cc1 ZINC000019792706 212067439 /nfs/dbraw/zinc/06/74/39/212067439.db2.gz BDTPMGCPGHAZIU-QGZVFWFLSA-N 1 0 326.371 2.598 50 0 EFAARO Cc1ncc2c(c1-c1noc([C@@H]3Cc4ccccc4O3)n1)CC[NH2+]C2 ZINC000019788496 212066311 /nfs/dbraw/zinc/06/63/11/212066311.db2.gz UBGXPPBHSRNQIB-INIZCTEOSA-N 1 0 334.379 2.762 50 0 EFAARO Cc1ncc2c(c1-c1noc(CCc3cc(Cl)no3)n1)CC[NH2+]C2 ZINC000019760182 212063059 /nfs/dbraw/zinc/06/30/59/212063059.db2.gz BUXHPOOYXJMCQO-UHFFFAOYSA-N 1 0 345.790 2.512 50 0 EFAARO COc1ccc(-c2n[nH]cc2CN2CC[N@H+](C)C[C@@H]2C(C)C)c(F)c1 ZINC000019770697 212062787 /nfs/dbraw/zinc/06/27/87/212062787.db2.gz IBBHDIMAOZJZFV-GOSISDBHSA-N 1 0 346.450 2.996 50 0 EFAARO COc1cc(C[NH2+][C@H]2COc3ccccc3C2)cc(OC)c1OC ZINC000019771007 212062752 /nfs/dbraw/zinc/06/27/52/212062752.db2.gz NLUSVSBMYPIWKU-OAHLLOKOSA-N 1 0 329.396 2.806 50 0 EFAARO O=C1C[C@H]([NH2+]CCc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000019720337 212057480 /nfs/dbraw/zinc/05/74/80/212057480.db2.gz BDFJEVSZDGLBGP-INIZCTEOSA-N 1 0 328.799 2.804 50 0 EFAARO O=C1C[C@H]([NH2+]CCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000019371392 212022836 /nfs/dbraw/zinc/02/28/36/212022836.db2.gz WLNUACLYCDXSIO-INIZCTEOSA-N 1 0 328.799 2.804 50 0 EFAARO Cc1cccc(OC[C@@H](O)CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000019363232 212020671 /nfs/dbraw/zinc/02/06/71/212020671.db2.gz YFBXZTFBHRQDBA-IBGZPJMESA-N 1 0 332.488 2.685 50 0 EFAARO O=C(c1cncc(Br)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000048551259 213945585 /nfs/dbraw/zinc/94/55/85/213945585.db2.gz CQERVFFAOOUFEQ-UHFFFAOYSA-N 1 0 338.249 2.545 50 0 in-vitro EFAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3F)C2=O)cc1 ZINC000019210610 212004742 /nfs/dbraw/zinc/00/47/42/212004742.db2.gz ZPFXHYHCUBXULF-QGZVFWFLSA-N 1 0 326.371 2.598 50 0 EFAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C ZINC000014745251 211760607 /nfs/dbraw/zinc/76/06/07/211760607.db2.gz CYOQYFACQLZVBV-HNNXBMFYSA-N 1 0 329.444 2.714 50 0 EFAARO CC(C)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C)CC2)C1=O ZINC000014733734 211757553 /nfs/dbraw/zinc/75/75/53/211757553.db2.gz UYYSSJRFXFKFDZ-UHFFFAOYSA-N 1 0 343.471 2.614 50 0 EFAARO CCC[C@@H]1CN(c2ncccc2C(=O)N2CCCCC2)C[C@H]1[NH+](C)C ZINC000082117008 217470211 /nfs/dbraw/zinc/47/02/11/217470211.db2.gz LAHRUZJDXYALTG-SJLPKXTDSA-N 1 0 344.503 2.874 50 0 EFAARO O=C(NC[C@H]1CC12CCCCC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426388016 247274227 /nfs/dbraw/zinc/27/42/27/247274227.db2.gz STVFAHVYSSSAHW-MRXNPFEDSA-N 1 0 328.460 2.884 50 0 EFAARO CCc1oc(C(=O)NCc2c(C)noc2C)cc1C[NH+]1CCCC1 ZINC000426403582 247275406 /nfs/dbraw/zinc/27/54/06/247275406.db2.gz SHAFPCLAGUCXCL-UHFFFAOYSA-N 1 0 331.416 2.973 50 0 EFAARO Cn1c(SCCOCc2ccccc2)nnc1C1CC[NH2+]CC1 ZINC000426411209 247278318 /nfs/dbraw/zinc/27/83/18/247278318.db2.gz DHTIKRKIYQKHHI-UHFFFAOYSA-N 1 0 332.473 2.591 50 0 EFAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3o2)C1 ZINC000426424224 247279437 /nfs/dbraw/zinc/27/94/37/247279437.db2.gz IIDAHOAGQUCVCW-ZDUSSCGKSA-N 1 0 334.391 2.660 50 0 EFAARO Cc1cccc(OCCCN(C)C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000426477236 247285344 /nfs/dbraw/zinc/28/53/44/247285344.db2.gz PHRXODJVLUZPQF-QGZVFWFLSA-N 1 0 333.476 2.747 50 0 EFAARO O=C(NC1(C[NH+]2CCCC2)CCCCC1)N(CCO)Cc1ccco1 ZINC000426493937 247286838 /nfs/dbraw/zinc/28/68/38/247286838.db2.gz DYCBFFKFZDJGNR-UHFFFAOYSA-N 1 0 349.475 2.582 50 0 EFAARO C[NH2+]Cc1nnc(SC[C@H]2CCCO2)n1-c1cccc(Cl)c1 ZINC000426376300 247271140 /nfs/dbraw/zinc/27/11/40/247271140.db2.gz JODSHLYSBKDYJK-CYBMUJFWSA-N 1 0 338.864 2.911 50 0 EFAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C(C)(C)O)C2)cc1 ZINC000012457907 211388985 /nfs/dbraw/zinc/38/89/85/211388985.db2.gz OFKFQFDAABAKKC-GOSISDBHSA-N 1 0 332.488 2.737 50 0 EFAARO CCn1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccs3)C2)cn1 ZINC000012453577 211386607 /nfs/dbraw/zinc/38/66/07/211386607.db2.gz BQWAQPKHIOAEIW-CQSZACIVSA-N 1 0 332.473 2.607 50 0 EFAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)COC ZINC000012433157 211379118 /nfs/dbraw/zinc/37/91/18/211379118.db2.gz PCLOQGNIHADJQP-KRWDZBQOSA-N 1 0 336.451 2.575 50 0 EFAARO C[C@@H]1CCC[C@H]1OC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000012414235 211373513 /nfs/dbraw/zinc/37/35/13/211373513.db2.gz WERHEAMZFYEFSA-AYOQOUSVSA-N 1 0 336.451 2.514 50 0 EFAARO CC(C)CCC(=O)N1CCOc2ccc([C@@](C)(O)C[NH+](C)C)cc2C1 ZINC000012201794 211319112 /nfs/dbraw/zinc/31/91/12/211319112.db2.gz MIYGESWTSZEVIS-FQEVSTJZSA-N 1 0 348.487 2.613 50 0 EFAARO Cc1c(C(=O)N(C)C)sc2ncnc(NCC[NH+]3CCCCC3)c12 ZINC000012155953 211309625 /nfs/dbraw/zinc/30/96/25/211309625.db2.gz ZQAOJWPTRWZHKU-UHFFFAOYSA-N 1 0 347.488 2.599 50 0 EFAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)NC1CC1 ZINC000012112330 211291262 /nfs/dbraw/zinc/29/12/62/211291262.db2.gz YNMWXXXMMRUHES-HNNXBMFYSA-N 1 0 344.455 2.729 50 0 EFAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cn(CCC3CCCCC3)nn2)C1 ZINC000012075354 211286524 /nfs/dbraw/zinc/28/65/24/211286524.db2.gz YVBQCCIIESICAT-QGZVFWFLSA-N 1 0 347.507 2.805 50 0 EFAARO COc1cc(Cl)cc2cc(C(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)oc21 ZINC000091494272 218014512 /nfs/dbraw/zinc/01/45/12/218014512.db2.gz BNMQDBGFVUJCMG-OLZOCXBDSA-N 1 0 334.803 2.904 50 0 EFAARO Cc1nc(CCNC(=O)CC[C@H]2CCC[N@@H+](C)C2)sc1Cl ZINC000091391506 218000765 /nfs/dbraw/zinc/00/07/65/218000765.db2.gz CKJBGMXUWXUXJZ-GFCCVEGCSA-N 1 0 329.897 2.886 50 0 EFAARO O=C1N(C2CCOCC2)CCC[C@@]12CC[N@H+](Cc1ccsc1)C2 ZINC000091412080 218002334 /nfs/dbraw/zinc/00/23/34/218002334.db2.gz YAZZCFSLKTWXTH-SFHVURJKSA-N 1 0 334.485 2.742 50 0 EFAARO CC[N@H+](C)C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CO ZINC000091416847 218003355 /nfs/dbraw/zinc/00/33/55/218003355.db2.gz RVBIWKJTCDFRBF-HUUCEWRRSA-N 1 0 330.394 2.697 50 0 EFAARO CN(C)c1ncc2c(n1)CCC[C@H]2[NH2+]Cc1cccn1-c1cccnc1 ZINC000011937204 211272019 /nfs/dbraw/zinc/27/20/19/211272019.db2.gz CVMHOMZETJPCIL-GOSISDBHSA-N 1 0 348.454 2.896 50 0 EFAARO O=C(CCCN1CCCC1=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000011932815 211270662 /nfs/dbraw/zinc/27/06/62/211270662.db2.gz NHGGKWLIOHXXAK-QGZVFWFLSA-N 1 0 349.519 2.692 50 0 EFAARO Cc1ccc2[nH]c(CN3CC([N@H+]4CCCC[C@H]4C)C3)cc(=O)c2c1 ZINC000091475604 218011730 /nfs/dbraw/zinc/01/17/30/218011730.db2.gz ZZNBGDNTYVMBLV-OAHLLOKOSA-N 1 0 325.456 2.895 50 0 EFAARO Cc1nc(N2CCC(c3nc(-c4ccccc4)no3)CC2)cc(N)[nH+]1 ZINC000091486806 218013190 /nfs/dbraw/zinc/01/31/90/218013190.db2.gz RWTUGFCVTJTPRL-UHFFFAOYSA-N 1 0 336.399 2.801 50 0 EFAARO c1cncc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3cccc4nonc43)C2)c1 ZINC000091621190 218033099 /nfs/dbraw/zinc/03/30/99/218033099.db2.gz CRXWZHNZNRXWHR-FUHWJXTLSA-N 1 0 349.438 2.714 50 0 EFAARO CSC[C@H]1CCC[N@H+](Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)C1 ZINC000091547814 218020501 /nfs/dbraw/zinc/02/05/01/218020501.db2.gz CYBHJWBJXVIYJA-LBPRGKRZSA-N 1 0 345.468 2.614 50 0 EFAARO Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000011853362 211259795 /nfs/dbraw/zinc/25/97/95/211259795.db2.gz LHJYMZCTIQPKMW-UHFFFAOYSA-N 1 0 337.467 2.937 50 0 EFAARO COc1ccc(COC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000011852191 211259738 /nfs/dbraw/zinc/25/97/38/211259738.db2.gz CKDCLCXRNBMMGP-HLLBOEOZSA-N 1 0 337.460 2.844 50 0 EFAARO Cc1cc2cccc(C(=O)N3C[C@H](CO)[C@H](C[NH+]4CCCC4)C3)c2o1 ZINC000091586542 218025722 /nfs/dbraw/zinc/02/57/22/218025722.db2.gz DCVBOWHHRDNSLU-IAGOWNOFSA-N 1 0 342.439 2.518 50 0 EFAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000091587308 218027280 /nfs/dbraw/zinc/02/72/80/218027280.db2.gz AEMIOGUGMWVVHK-UHFFFAOYSA-N 1 0 347.507 2.666 50 0 EFAARO COc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cc1C ZINC000091603033 218030664 /nfs/dbraw/zinc/03/06/64/218030664.db2.gz ASNBEDBZZXYTCN-SJLPKXTDSA-N 1 0 328.456 2.950 50 0 EFAARO CN(Cc1nccn1C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000011819946 211252614 /nfs/dbraw/zinc/25/26/14/211252614.db2.gz DADBNKHZCZTJGS-UHFFFAOYSA-N 1 0 344.478 2.946 50 0 EFAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)Nc1ccccc1 ZINC000011697814 211237871 /nfs/dbraw/zinc/23/78/71/211237871.db2.gz DFKFIXNRAKIXDZ-UHFFFAOYSA-N 1 0 349.398 2.849 50 0 EFAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cc(N)ncn3)CC2)C1 ZINC000091657174 218042013 /nfs/dbraw/zinc/04/20/13/218042013.db2.gz TYNOIZQBDCTZTD-KRWDZBQOSA-N 1 0 337.471 2.765 50 0 EFAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cn(C)nc3C)C2)c1 ZINC000011754203 211243464 /nfs/dbraw/zinc/24/34/64/211243464.db2.gz PQVUDMYXCPQPER-INIZCTEOSA-N 1 0 327.428 2.832 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000091664573 218043535 /nfs/dbraw/zinc/04/35/35/218043535.db2.gz NVPIUDSKEKZQKM-SFHVURJKSA-N 1 0 349.906 2.859 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCCN(C)C3=O)CCC2 ZINC000091665562 218044255 /nfs/dbraw/zinc/04/42/55/218044255.db2.gz CUTMYLMRTMYQRI-FQEVSTJZSA-N 1 0 328.456 2.628 50 0 EFAARO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc(C)n2)C1 ZINC000091713760 218053933 /nfs/dbraw/zinc/05/39/33/218053933.db2.gz BPPREEKYCXEARJ-FUHWJXTLSA-N 1 0 325.460 2.518 50 0 EFAARO FC(F)(F)c1ccnc(N2CCC[N@H+](Cc3ccccn3)CC2)n1 ZINC000091745411 218057171 /nfs/dbraw/zinc/05/71/71/218057171.db2.gz QFUSIOLLIDHBBO-UHFFFAOYSA-N 1 0 337.349 2.603 50 0 EFAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2c(C)noc2C)o1 ZINC000091768941 218062531 /nfs/dbraw/zinc/06/25/31/218062531.db2.gz XIVPUAMMDWKPPZ-JKSUJKDBSA-N 1 0 343.427 2.816 50 0 EFAARO O=C1N(C2CCOCC2)CCC[C@@]12CC[N@H+](CCc1ccccc1)C2 ZINC000091769367 218062568 /nfs/dbraw/zinc/06/25/68/218062568.db2.gz KUAQLPPOTMKDSJ-NRFANRHFSA-N 1 0 342.483 2.723 50 0 EFAARO CCCc1nc(C(=O)N2C[C@H]([NH3+])[C@@H](c3cccc(OC)c3)C2)cs1 ZINC000091915196 218088064 /nfs/dbraw/zinc/08/80/64/218088064.db2.gz RBZJIAYGGQXPEZ-CABCVRRESA-N 1 0 345.468 2.671 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)CCc2cc(Cl)no2)CC1 ZINC000091932037 218090052 /nfs/dbraw/zinc/09/00/52/218090052.db2.gz ZPQGYZOCSPKHQZ-UHFFFAOYSA-N 1 0 348.834 2.703 50 0 EFAARO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@H+](CCC(=O)NCc1ccco1)C2 ZINC000091933780 218091384 /nfs/dbraw/zinc/09/13/84/218091384.db2.gz JMERGABEHODBHC-ZWKOTPCHSA-N 1 0 345.487 2.648 50 0 EFAARO C[C@H](C(=O)N1CCCC1)[NH+]1CCC(c2nccn2CC2CCC2)CC1 ZINC000091845796 218075810 /nfs/dbraw/zinc/07/58/10/218075810.db2.gz AQINMTNMAXOEJD-MRXNPFEDSA-N 1 0 344.503 2.874 50 0 EFAARO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)ccc1Cl ZINC000091871351 218080432 /nfs/dbraw/zinc/08/04/32/218080432.db2.gz UIJBZKNNJAKTHZ-WBVHZDCISA-N 1 0 338.879 2.813 50 0 EFAARO Cc1ccc(C)c2c(=O)cc(C[NH2+]Cc3ccc4nonc4c3)[nH]c12 ZINC000091986250 218097947 /nfs/dbraw/zinc/09/79/47/218097947.db2.gz NEAOSRWRYQUYNJ-UHFFFAOYSA-N 1 0 334.379 2.971 50 0 EFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc(C)c(F)c1)C2 ZINC000091986610 218099481 /nfs/dbraw/zinc/09/94/81/218099481.db2.gz OEZOFGJUMYPOJA-HUUCEWRRSA-N 1 0 340.464 2.629 50 0 EFAARO C[NH+]1CCC(N2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)CC1 ZINC000092028949 218106873 /nfs/dbraw/zinc/10/68/73/218106873.db2.gz DCINZKITOYUSHM-HXUWFJFHSA-N 1 0 344.455 2.681 50 0 EFAARO C[NH+]1CCC(N2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)CC1 ZINC000092028950 218106928 /nfs/dbraw/zinc/10/69/28/218106928.db2.gz DCINZKITOYUSHM-FQEVSTJZSA-N 1 0 344.455 2.681 50 0 EFAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1cccnc1)C2 ZINC000092038216 218107545 /nfs/dbraw/zinc/10/75/45/218107545.db2.gz CMZSZYOBROAPBG-RTBURBONSA-N 1 0 327.472 2.903 50 0 EFAARO C[NH+](C)C[C@H]1COCCN(Cc2cc(=O)c3cccc(Cl)c3[nH]2)C1 ZINC000092036877 218107696 /nfs/dbraw/zinc/10/76/96/218107696.db2.gz RFATYAVLNZDEIY-CYBMUJFWSA-N 1 0 349.862 2.604 50 0 EFAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCCc2c[nH]c3ccc(OC)cc23)C1 ZINC000092037343 218107840 /nfs/dbraw/zinc/10/78/40/218107840.db2.gz SKUBNTFPHWPWMU-FQEVSTJZSA-N 1 0 343.471 2.957 50 0 EFAARO CC(C)c1nnsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CCC1 ZINC000092097016 218118699 /nfs/dbraw/zinc/11/86/99/218118699.db2.gz QAIUEEDMINUYBV-LSDHHAIUSA-N 1 0 348.516 2.884 50 0 EFAARO COc1cc(C[NH2+]CCOCCO)ccc1OCc1ccc(F)cc1 ZINC000010435663 211172332 /nfs/dbraw/zinc/17/23/32/211172332.db2.gz PNBSDHMVPARFLP-UHFFFAOYSA-N 1 0 349.402 2.512 50 0 EFAARO Cc1ccc(NC(=O)[C@H]2C=C(O)NC(Nc3ccccc3)=[NH+]2)cc1C ZINC000009192424 211050997 /nfs/dbraw/zinc/05/09/97/211050997.db2.gz UWCNPTBMHWCFGV-MRXNPFEDSA-N 1 0 336.395 2.599 50 0 EFAARO O=C(NCCSc1ccccn1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095351990 218286292 /nfs/dbraw/zinc/28/62/92/218286292.db2.gz YNFPJBPEZOEARK-UHFFFAOYSA-N 1 0 345.468 2.795 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)c(C)c1OC)C2 ZINC000095352852 218286660 /nfs/dbraw/zinc/28/66/60/218286660.db2.gz FYXQBMGWYPYMAA-FUHWJXTLSA-N 1 0 348.487 2.555 50 0 EFAARO Fc1cccc(C2(Cn3cc([C@H]4CCC[NH2+]C4)nn3)CCOCC2)c1 ZINC000095359245 218292738 /nfs/dbraw/zinc/29/27/38/218292738.db2.gz AIVQYEWGYQEMKU-HNNXBMFYSA-N 1 0 344.434 2.633 50 0 EFAARO COc1ccc([C@@H]2CN(C(=O)C3(C)CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095355721 218289428 /nfs/dbraw/zinc/28/94/28/218289428.db2.gz JJVGEAGCNGXBGQ-IPMKNSEASA-N 1 0 340.467 2.884 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000095357553 218290133 /nfs/dbraw/zinc/29/01/33/218290133.db2.gz IIWKSDXMSPGMHD-MRXNPFEDSA-N 1 0 341.459 2.856 50 0 EFAARO CCc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)on1 ZINC000095357106 218291143 /nfs/dbraw/zinc/29/11/43/218291143.db2.gz IRPWFVDVJISKDZ-FUHWJXTLSA-N 1 0 339.439 2.860 50 0 EFAARO Cc1csc(CCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)n1 ZINC000095359193 218291361 /nfs/dbraw/zinc/29/13/61/218291361.db2.gz PDXIQFQNSYJVMB-INIZCTEOSA-N 1 0 329.469 2.891 50 0 EFAARO COc1ccc(C[NH2+]Cc2cc(=O)c3cc(F)ccc3[nH]2)c(OC)c1 ZINC000095358548 218292055 /nfs/dbraw/zinc/29/20/55/218292055.db2.gz QCWMZCBTCWXZTM-UHFFFAOYSA-N 1 0 342.370 2.974 50 0 EFAARO O=C(c1ccn(C(F)F)n1)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000095361145 218294655 /nfs/dbraw/zinc/29/46/55/218294655.db2.gz QJUBHEZDQZLLKU-ZDUSSCGKSA-N 1 0 326.391 2.616 50 0 EFAARO O=C(c1ccoc1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095362921 218295579 /nfs/dbraw/zinc/29/55/79/218295579.db2.gz MISADAGYOTZBQP-IPMKNSEASA-N 1 0 338.407 2.688 50 0 EFAARO Fc1ccc([C@@H]2CN(Cc3ncc[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095363595 218296667 /nfs/dbraw/zinc/29/66/67/218296667.db2.gz IGBZLPMLJDDDQW-QXAKKESOSA-N 1 0 326.419 2.611 50 0 EFAARO COc1ccc([C@@H]2C[N@@H+](C3CCOCC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095365524 218297770 /nfs/dbraw/zinc/29/77/70/218297770.db2.gz ZSEXADPTURXBPI-PWRODBHTSA-N 1 0 342.483 2.736 50 0 EFAARO c1ccc(N2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc1 ZINC000095374541 218307412 /nfs/dbraw/zinc/30/74/12/218307412.db2.gz JRXFVNVAOXGOMC-MAODMQOUSA-N 1 0 349.434 2.877 50 0 EFAARO CCCn1ccnc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095368606 218301524 /nfs/dbraw/zinc/30/15/24/218301524.db2.gz LTRSQAYWUDGDQE-RBUKOAKNSA-N 1 0 339.487 2.785 50 0 EFAARO Cc1cc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)c(C)o1 ZINC000095369890 218302497 /nfs/dbraw/zinc/30/24/97/218302497.db2.gz WNDVXPXCDOPDHE-MRXNPFEDSA-N 1 0 344.459 2.674 50 0 EFAARO CCn1nc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1C ZINC000095369759 218302751 /nfs/dbraw/zinc/30/27/51/218302751.db2.gz XLPOYNQRUFFPJQ-SJLPKXTDSA-N 1 0 344.503 2.743 50 0 EFAARO Cc1ocnc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095371210 218304004 /nfs/dbraw/zinc/30/40/04/218304004.db2.gz OFSPPSISDAYPQK-IAGOWNOFSA-N 1 0 325.412 2.720 50 0 EFAARO CC[NH+]1CCC(CC(=O)N[C@@H](c2ccccn2)C(F)(F)F)CC1 ZINC000095372438 218305401 /nfs/dbraw/zinc/30/54/01/218305401.db2.gz CLPBQAFUCFQDQC-HNNXBMFYSA-N 1 0 329.366 2.923 50 0 EFAARO CCn1ncnc1[C@@H](C)NC(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095371881 218305488 /nfs/dbraw/zinc/30/54/88/218305488.db2.gz AGCBBFTYIGPHHT-CQSZACIVSA-N 1 0 333.480 2.520 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N2CCCC[C@H]2c2nc(C)no2)CC1 ZINC000095372390 218305614 /nfs/dbraw/zinc/30/56/14/218305614.db2.gz DIQWFBYKGDCJLC-INIZCTEOSA-N 1 0 334.464 2.944 50 0 EFAARO CCn1nc(CNC(=O)[C@]2(C)CCC[N@H+](CC)C2)c2ccccc21 ZINC000095377792 218310557 /nfs/dbraw/zinc/31/05/57/218310557.db2.gz VWCUBGSMNOEDJW-LJQANCHMSA-N 1 0 328.460 2.794 50 0 EFAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)C2CCCC2)CC1 ZINC000095380426 218312768 /nfs/dbraw/zinc/31/27/68/218312768.db2.gz XUTJEYPOVRUXIU-UHFFFAOYSA-N 1 0 332.492 2.731 50 0 EFAARO CCC(C)(C)OC[C@@H](O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000008844705 211010596 /nfs/dbraw/zinc/01/05/96/211010596.db2.gz VBUWNYDTKFBEDV-INIZCTEOSA-N 1 0 337.460 2.628 50 0 biogenic EFAARO COc1cccc2ccc(N3CCC([NH+]4CCC(O)CC4)CC3)nc21 ZINC000095389154 218320721 /nfs/dbraw/zinc/32/07/21/218320721.db2.gz JZOZWRKSECYAPY-UHFFFAOYSA-N 1 0 341.455 2.669 50 0 EFAARO Cc1cc(C(F)(F)F)nc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000095391081 218323031 /nfs/dbraw/zinc/32/30/31/218323031.db2.gz PKOXGIJNYJKRQL-GFCCVEGCSA-N 1 0 344.381 2.685 50 0 EFAARO CCn1nc(CNC(=O)C2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000095384220 218315909 /nfs/dbraw/zinc/31/59/09/218315909.db2.gz VVLPLQSOSINUHV-UHFFFAOYSA-N 1 0 328.460 2.793 50 0 EFAARO CC[NH+]1CCC(CC(=O)N[C@@H](C)c2nncn2C2CCCC2)CC1 ZINC000095385008 218316340 /nfs/dbraw/zinc/31/63/40/218316340.db2.gz HQSHADWCPQLUDS-AWEZNQCLSA-N 1 0 333.480 2.692 50 0 EFAARO Cn1cc(CCCNC(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000095384422 218317411 /nfs/dbraw/zinc/31/74/11/218317411.db2.gz HMPKGRXVONJSFE-ZWKOTPCHSA-N 1 0 332.492 2.514 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCCc2nc3c(s2)CCCC3)C1 ZINC000095386658 218318425 /nfs/dbraw/zinc/31/84/25/218318425.db2.gz JEWGNFSSXVDTTJ-AWEZNQCLSA-N 1 0 335.517 2.803 50 0 EFAARO CCc1cnc(N)nc1NC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000095392863 218324880 /nfs/dbraw/zinc/32/48/80/218324880.db2.gz YULPDOXZJFAZBV-INIZCTEOSA-N 1 0 326.448 2.655 50 0 EFAARO CC(C)c1noc(CCNC(=O)C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000095392205 218324106 /nfs/dbraw/zinc/32/41/06/218324106.db2.gz JZBCQPKZLJQRAB-UHFFFAOYSA-N 1 0 348.491 2.896 50 0 EFAARO Cc1nc(CCNC(=O)C2CC[NH+](C(C)C)CC2)sc1Cl ZINC000095521332 218426238 /nfs/dbraw/zinc/42/62/38/218426238.db2.gz CPPWCIQYWGGRKI-UHFFFAOYSA-N 1 0 329.897 2.884 50 0 EFAARO CC(C)[NH+]1CCC(CC(=O)N2CC(OCc3ccccc3)C2)CC1 ZINC000095522580 218427493 /nfs/dbraw/zinc/42/74/93/218427493.db2.gz OGYATVYRMCCGJR-UHFFFAOYSA-N 1 0 330.472 2.925 50 0 EFAARO O=C(NCCCSCc1ccccc1F)[C@@H]1CC12CC[NH2+]CC2 ZINC000096151683 218628071 /nfs/dbraw/zinc/62/80/71/218628071.db2.gz ZMMYVCUBNCSFBZ-HNNXBMFYSA-N 1 0 336.476 2.955 50 0 EFAARO COCCC[C@H]1CCCCN1c1nc(CC[NH3+])nc2ccccc21 ZINC000065417697 284923711 /nfs/dbraw/zinc/92/37/11/284923711.db2.gz GDGLOSMYPKQRHC-OAHLLOKOSA-N 1 0 328.460 2.917 50 0 EFAARO COc1ccc([C@H](O)[C@@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccc(OC)cc2)cc1 ZINC000005572646 210492205 /nfs/dbraw/zinc/49/22/05/210492205.db2.gz SLMWVFCNXTYGHR-RYMBOPBQSA-N 1 0 345.439 2.837 50 0 EFAARO C[C@H]([NH2+]C[C@H](O)COC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000005073473 210385565 /nfs/dbraw/zinc/38/55/65/210385565.db2.gz FCYDSJVNZCQEOT-RYQLBKOJSA-N 1 0 343.423 2.555 50 0 EFAARO CC1(C)CC(NS(=O)(=O)c2cccc(Cl)c2)CC(C)(C)[NH2+]1 ZINC000004988126 210350579 /nfs/dbraw/zinc/35/05/79/210350579.db2.gz IIGOPJYPJJJEOO-UHFFFAOYSA-N 1 0 330.881 2.928 50 0 EFAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000004897967 210316755 /nfs/dbraw/zinc/31/67/55/210316755.db2.gz SSKHRCQZQPXDHG-GFCCVEGCSA-N 1 0 329.400 2.767 50 0 EFAARO CCc1ccc(-c2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](C)C4)[nH]n2)cc1 ZINC000097323905 219011856 /nfs/dbraw/zinc/01/18/56/219011856.db2.gz JKUSSXYERLOYQM-DOTOQJQBSA-N 1 0 338.455 2.805 50 0 EFAARO COc1cccc2ccc(C[N@H+](C)CCN3CCCCC3=O)nc21 ZINC000097360077 219014815 /nfs/dbraw/zinc/01/48/15/219014815.db2.gz SBEJCZWLYXNBGP-UHFFFAOYSA-N 1 0 327.428 2.688 50 0 EFAARO COc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCC(N)=O ZINC000004838231 210293684 /nfs/dbraw/zinc/29/36/84/210293684.db2.gz DUJQGFZKLAXKLL-UHFFFAOYSA-N 1 0 326.824 2.635 50 0 EFAARO CCOCc1cc(C[NH+]2CCC(c3ncon3)CC2)ccc1OC ZINC000097446901 219025941 /nfs/dbraw/zinc/02/59/41/219025941.db2.gz BCDDGMBOFCHAPH-UHFFFAOYSA-N 1 0 331.416 2.994 50 0 EFAARO CN1CC[N@H+](Cc2ccc3ccn(Cc4ccccc4)c3c2)C[C@@H]1CO ZINC000097468482 219027038 /nfs/dbraw/zinc/02/70/38/219027038.db2.gz QHZPOOHHFCSDJM-OAQYLSRUSA-N 1 0 349.478 2.798 50 0 EFAARO COCc1cc(C[N@@H+]2CCC[C@@H](Cn3ccnc3)C2)ccc1OC ZINC000097515012 219032389 /nfs/dbraw/zinc/03/23/89/219032389.db2.gz XDAQBUJIHJEPCK-QGZVFWFLSA-N 1 0 329.444 2.950 50 0 EFAARO OCCn1ccc([C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)n1 ZINC000426662058 257959949 /nfs/dbraw/zinc/95/99/49/257959949.db2.gz FSAGWNQWMNLKIS-QGZVFWFLSA-N 1 0 336.439 2.803 50 0 EFAARO COc1ccc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000426593910 257962585 /nfs/dbraw/zinc/96/25/85/257962585.db2.gz YRYCGCPEARBJGR-KRWDZBQOSA-N 1 0 331.460 2.855 50 0 EFAARO CC(C)Oc1cccc(CNC(=O)c2cc(F)ccc2OCC[NH3+])c1 ZINC000426544374 257963951 /nfs/dbraw/zinc/96/39/51/257963951.db2.gz LEAUEAOTFDRTPY-UHFFFAOYSA-N 1 0 346.402 2.880 50 0 EFAARO C[C@@H](c1ccon1)N(C)C(=O)c1ccc(Cl)cc1OCCC[NH3+] ZINC000426421709 257968656 /nfs/dbraw/zinc/96/86/56/257968656.db2.gz BFTBEFONFPWXCQ-NSHDSACASA-N 1 0 337.807 2.889 50 0 EFAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cccc2ccccc21 ZINC000299769092 258083233 /nfs/dbraw/zinc/08/32/33/258083233.db2.gz IYWHGWDSGKJDOW-HKUYNNGSSA-N 1 0 325.456 2.610 50 0 EFAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccn2)N1Cc1cccc(F)c1 ZINC000299770666 258083309 /nfs/dbraw/zinc/08/33/09/258083309.db2.gz ULYUZZOUBDDQAL-SFHVURJKSA-N 1 0 327.403 2.892 50 0 EFAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1cccc(-c2nccs2)c1 ZINC000299774895 258085297 /nfs/dbraw/zinc/08/52/97/258085297.db2.gz IJFRETMRXLPOER-HOTGVXAUSA-N 1 0 345.468 2.648 50 0 EFAARO O=C(Cc1ccsc1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000299777550 258087520 /nfs/dbraw/zinc/08/75/20/258087520.db2.gz LHTDQHVZQZATBR-UHFFFAOYSA-N 1 0 326.465 2.602 50 0 EFAARO Cc1cccc(SC2CCN(C(=O)C[N@@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000299777709 258087761 /nfs/dbraw/zinc/08/77/61/258087761.db2.gz ODIZPTDELTVEDL-INIZCTEOSA-N 1 0 348.512 2.535 50 0 EFAARO O=C(NC1(CO)CCCC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299778538 258088133 /nfs/dbraw/zinc/08/81/33/258088133.db2.gz JYAGNYXHQPGVIH-KSZLIROESA-N 1 0 328.456 2.633 50 0 EFAARO O=C([O-])CC[C@H]1C[N@@H+](C2Cc3ccccc3C2)CC[C@H]1[NH+]1CCCC1 ZINC000299779455 258088834 /nfs/dbraw/zinc/08/88/34/258088834.db2.gz FSKNSQVYIUPYPG-AZUAARDMSA-N 1 0 342.483 2.805 50 0 EFAARO CN(Cc1cnccn1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299779429 258088904 /nfs/dbraw/zinc/08/89/04/258088904.db2.gz RSWCTYHWXVDSGO-OTWHNJEPSA-N 1 0 336.439 2.661 50 0 EFAARO COc1ccc(C(=O)N2C[C@@H]3CC(C)=CC[C@@H]3C2)cc1OCCC[NH3+] ZINC000299782321 258090505 /nfs/dbraw/zinc/09/05/05/258090505.db2.gz FPBPNFSYIYETIH-SJORKVTESA-N 1 0 344.455 2.851 50 0 EFAARO [NH3+]CC[C@@H]1CN(C(=O)c2cccc(-c3ccc(Cl)cn3)c2)CCO1 ZINC000299783413 258091452 /nfs/dbraw/zinc/09/14/52/258091452.db2.gz ZDCCZHOHCXQQJB-MRXNPFEDSA-N 1 0 345.830 2.592 50 0 EFAARO Cc1cnn(Cc2cccc(C)c2)c1NC(=O)NCC[NH+]1CCCC1 ZINC000299784862 258092551 /nfs/dbraw/zinc/09/25/51/258092551.db2.gz NBVOJNXEURULMV-UHFFFAOYSA-N 1 0 341.459 2.766 50 0 EFAARO Cc1ccccc1-c1cccc(NC(=O)NC[C@@]2(O)CC[NH2+]C2)c1 ZINC000299785025 258092560 /nfs/dbraw/zinc/09/25/60/258092560.db2.gz PVOQGIBEISDMRE-LJQANCHMSA-N 1 0 325.412 2.508 50 0 EFAARO Cc1nccn1[C@@H](C)CC(=O)NCc1csc(N2CCCC2)n1 ZINC000299786155 258093180 /nfs/dbraw/zinc/09/31/80/258093180.db2.gz WDNHWMPDNHRMBI-LBPRGKRZSA-N 1 0 333.461 2.516 50 0 EFAARO Cc1ccccc1CC1(NC(=O)CC[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000299788785 258094795 /nfs/dbraw/zinc/09/47/95/258094795.db2.gz XJOPYLOYORNBAZ-SFHVURJKSA-N 1 0 343.515 2.602 50 0 EFAARO Cc1cc(CC(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)on1 ZINC000299789688 258095603 /nfs/dbraw/zinc/09/56/03/258095603.db2.gz AFKYJWWTUVACON-KRWDZBQOSA-N 1 0 331.391 2.618 50 0 EFAARO [NH3+]CCCOc1ccc(C(=O)N2CC(c3cccnc3)C2)cc1Cl ZINC000299789725 258095714 /nfs/dbraw/zinc/09/57/14/258095714.db2.gz AUBJTACAFGSNKY-UHFFFAOYSA-N 1 0 345.830 2.702 50 0 EFAARO O=C(NC[C@H]1CCC[N@@H+](C2CCCCC2)C1)c1cccn2cnnc12 ZINC000299790384 258096416 /nfs/dbraw/zinc/09/64/16/258096416.db2.gz AXHXFDZQSFJYJI-OAHLLOKOSA-N 1 0 341.459 2.504 50 0 EFAARO COc1ccc(-c2cccc(C(=O)N3CC[NH2+][C@@H](C)C3)c2)c(OC)c1 ZINC000299791431 258096714 /nfs/dbraw/zinc/09/67/14/258096714.db2.gz CSFQDNAEGDUHLW-AWEZNQCLSA-N 1 0 340.423 2.805 50 0 EFAARO Cc1cccnc1[C@H](NC(=O)c1ccc(OCCC[NH3+])cc1)C1CC1 ZINC000299793044 258097964 /nfs/dbraw/zinc/09/79/64/258097964.db2.gz IXWMDLBQMJPGSC-LJQANCHMSA-N 1 0 339.439 2.999 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cnn(-c4ccccc4F)c3)[C@H]1C[C@H](O)CC2 ZINC000299792774 258098166 /nfs/dbraw/zinc/09/81/66/258098166.db2.gz GIAYCJRQRLQFSS-AYOQOUSVSA-N 1 0 345.418 2.516 50 0 EFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccc(C)cc3)cc2C1 ZINC000299793408 258098915 /nfs/dbraw/zinc/09/89/15/258098915.db2.gz HZMRFWDFNZLDTB-UHFFFAOYSA-N 1 0 326.444 2.737 50 0 EFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccc(C)c(F)c3)cc2C1 ZINC000299795474 258099623 /nfs/dbraw/zinc/09/96/23/258099623.db2.gz MFGZBGLHIHWLDK-UHFFFAOYSA-N 1 0 344.434 2.876 50 0 EFAARO Cc1c(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)cnn1C ZINC000299797166 258100926 /nfs/dbraw/zinc/10/09/26/258100926.db2.gz QHMWZNWMWFPFDA-KRWDZBQOSA-N 1 0 345.422 2.826 50 0 EFAARO CCCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 ZINC000299796640 258100992 /nfs/dbraw/zinc/10/09/92/258100992.db2.gz PCIKDPVCKXZKMW-OALUTQOASA-N 1 0 342.443 2.803 50 0 EFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3cc(F)ccc3C)cc2C1 ZINC000299797890 258101591 /nfs/dbraw/zinc/10/15/91/258101591.db2.gz OSATWJFNQVCWJC-UHFFFAOYSA-N 1 0 344.434 2.876 50 0 EFAARO CSC[C@H]1CCCN(C(=O)c2ccc(C)c(OCCC[NH3+])c2)C1 ZINC000299797610 258101883 /nfs/dbraw/zinc/10/18/83/258101883.db2.gz OHFVDJMLFVIXSS-HNNXBMFYSA-N 1 0 336.501 2.938 50 0 EFAARO Cc1ncsc1CC[N@@H+](C)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299799752 258103052 /nfs/dbraw/zinc/10/30/52/258103052.db2.gz RSQRJORFHMSGOF-HNNXBMFYSA-N 1 0 329.469 2.979 50 0 EFAARO COc1ccc(C)c(NC(=O)NC2CC[NH+](CCSC)CC2)c1 ZINC000299800344 258103600 /nfs/dbraw/zinc/10/36/00/258103600.db2.gz WYWULHDQKXTVBW-UHFFFAOYSA-N 1 0 337.489 2.953 50 0 EFAARO COc1ccc2c(C)c(C(=O)N3C[C@H]4CC[C@@H](C3)[C@H]4[NH3+])oc2c1OC ZINC000299799933 258103603 /nfs/dbraw/zinc/10/36/03/258103603.db2.gz XREWYCMNYRBNBH-JYAVWHMHSA-N 1 0 344.411 2.568 50 0 EFAARO COc1cccc(-n2cc(C[N@H+](C)CCc3c(C)n[nH]c3C)cn2)c1 ZINC000299800690 258104303 /nfs/dbraw/zinc/10/43/03/258104303.db2.gz VRFPKRWMVVDXCV-UHFFFAOYSA-N 1 0 339.443 2.895 50 0 EFAARO O=C(CSCC[NH+]1CCCC1)NCc1ccc2ccccc2n1 ZINC000299801597 258104769 /nfs/dbraw/zinc/10/47/69/258104769.db2.gz ZUYQMIGVLBTKEH-UHFFFAOYSA-N 1 0 329.469 2.680 50 0 EFAARO C[C@H](C[N@@H+]1CCn2nc(CNc3cnccn3)cc2C1)c1ccccc1 ZINC000299801802 258104956 /nfs/dbraw/zinc/10/49/56/258104956.db2.gz ZGCLPZGXWIUKHA-MRXNPFEDSA-N 1 0 348.454 2.905 50 0 EFAARO CC(C)CCNC(=O)C1(CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000299803754 258105839 /nfs/dbraw/zinc/10/58/39/258105839.db2.gz AWQISRLMSOFVDI-UHFFFAOYSA-N 1 0 332.488 2.814 50 0 EFAARO Cc1ccc(O)c(C[N@H+](CCCn2ccnc2)Cc2cccnc2)n1 ZINC000055060718 258061249 /nfs/dbraw/zinc/06/12/49/258061249.db2.gz VAXXIEGBURCETF-UHFFFAOYSA-N 1 0 337.427 2.780 50 0 EFAARO O=C(NCCc1ccccc1C(F)(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000096165148 258067743 /nfs/dbraw/zinc/06/77/43/258067743.db2.gz BAMWCQUXVFHTRP-AWEZNQCLSA-N 1 0 326.362 2.754 50 0 EFAARO CN(Cc1sc2ccccc2c1Cl)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000299757518 258075232 /nfs/dbraw/zinc/07/52/32/258075232.db2.gz IQIIIKFCMWPLSO-NSHDSACASA-N 1 0 338.860 2.892 50 0 EFAARO CCN(C[C@H]1CCCCO1)C(=O)c1ccc(C)cc1OCCC[NH3+] ZINC000299757335 258075451 /nfs/dbraw/zinc/07/54/51/258075451.db2.gz LYPQSOYSTJYHSV-MRXNPFEDSA-N 1 0 334.460 2.754 50 0 EFAARO Cc1ccc(C(=O)NCCc2ccccc2Cl)cc1OCC[NH3+] ZINC000299758642 258076287 /nfs/dbraw/zinc/07/62/87/258076287.db2.gz KHFKMRCUJOIYCX-UHFFFAOYSA-N 1 0 332.831 2.958 50 0 EFAARO O=C(c1ccn(C(F)F)n1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000299758917 258076742 /nfs/dbraw/zinc/07/67/42/258076742.db2.gz FLHJIFVPLWEQRX-UHFFFAOYSA-N 1 0 326.391 2.759 50 0 EFAARO CCc1noc(-c2ccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)n1 ZINC000299760508 258077344 /nfs/dbraw/zinc/07/73/44/258077344.db2.gz UZGHGSSJTFDLHF-HNNXBMFYSA-N 1 0 341.415 2.611 50 0 EFAARO Cc1cccc2c(CCNC(=O)CSCC[NH+]3CCCC3)c[nH]c21 ZINC000299764918 258080420 /nfs/dbraw/zinc/08/04/20/258080420.db2.gz WLMKANPXLIQJMY-UHFFFAOYSA-N 1 0 345.512 2.964 50 0 EFAARO C[N@H+](CC(=O)NCCCc1nc2cc(F)ccc2[nH]1)C1CCCC1 ZINC000299767621 258082357 /nfs/dbraw/zinc/08/23/57/258082357.db2.gz MJBVQQOCRVNRMP-UHFFFAOYSA-N 1 0 332.423 2.625 50 0 EFAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)C3CCC3)C2)CC1 ZINC000055244436 132194411 /nfs/dbraw/zinc/19/44/11/132194411.db2.gz SRIRDIQWSHNNOX-IBGZPJMESA-N 1 0 341.499 2.908 50 0 EFAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000082106933 132818519 /nfs/dbraw/zinc/81/85/19/132818519.db2.gz IXUGGDFYNTUPML-GOSISDBHSA-N 1 0 330.472 2.845 50 0 EFAARO CCCCc1c(O)nc(SCC[NH+](C)C)n(-c2ccccc2)c1=O ZINC000100476505 544560638 /nfs/dbraw/zinc/56/06/38/544560638.db2.gz GFBAQDHKPRQGAJ-UHFFFAOYSA-N 1 0 347.484 2.934 50 0 EFAARO CC(=O)NC1=NC2=[NH+]C(c3ccccc3)=C[C@@H](c3ccc(F)cc3)N2N1 ZINC000013127677 273492000 /nfs/dbraw/zinc/49/20/00/273492000.db2.gz RAJMFTOCXIHJQF-KRWDZBQOSA-N 1 0 349.369 2.590 50 0 EFAARO C[C@@](CO)([NH2+]CC1=CCCOC1)c1ccc(Br)cc1 ZINC000285553114 274023986 /nfs/dbraw/zinc/02/39/86/274023986.db2.gz QWVPPERAUVOCCW-HNNXBMFYSA-N 1 0 326.234 2.593 50 0 EFAARO Cc1c2cc(F)ccc2oc1C(=O)N1CCOC12CC[NH+](C)CC2 ZINC000013729035 274667434 /nfs/dbraw/zinc/66/74/34/274667434.db2.gz ANXXTMXUXOMMDN-UHFFFAOYSA-N 1 0 332.375 2.775 50 0 EFAARO Cc1cc(C)n(-c2nc(-c3ccccc3)cc(N3CC[NH+](C)CC3)n2)n1 ZINC000009303177 274691943 /nfs/dbraw/zinc/69/19/43/274691943.db2.gz BFXPNRBXEKCJLU-UHFFFAOYSA-N 1 0 348.454 2.698 50 0 EFAARO O=C(c1cc2n(n1)CCN(c1cc[nH+]c3ccccc31)C2)N1CCCC1 ZINC000065435433 275011719 /nfs/dbraw/zinc/01/17/19/275011719.db2.gz JUQGKYCTOPQKIR-UHFFFAOYSA-N 1 0 347.422 2.688 50 0 EFAARO c1nn(-c2ccccn2)c2c1[C@H]([NH2+]Cc1ccc3nonc3c1)CCC2 ZINC000055358626 275077782 /nfs/dbraw/zinc/07/77/82/275077782.db2.gz DNVJWRVOZSYQRU-OAHLLOKOSA-N 1 0 346.394 2.971 50 0 EFAARO CC(C)Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)n(C)n1 ZINC000091807189 275603241 /nfs/dbraw/zinc/60/32/41/275603241.db2.gz BMXKTXLIILRERF-SFHVURJKSA-N 1 0 346.450 2.790 50 0 EFAARO CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H]([NH+]2CCCCC2)[C@H]1O ZINC000000293721 275883253 /nfs/dbraw/zinc/88/32/53/275883253.db2.gz HZFAZVKVQKOGJZ-SJLPKXTDSA-N 1 0 329.396 2.852 50 0 biogenic EFAARO C[N@@H+]1CCCC[C@@H]1CC(=O)N(CCCO)Cc1ccc(Cl)cc1 ZINC000215069299 277042979 /nfs/dbraw/zinc/04/29/79/277042979.db2.gz XWXXWNINWKXQHS-QGZVFWFLSA-N 1 0 338.879 2.925 50 0 EFAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)CCC(F)(F)F)cc2C1 ZINC000082092705 277399274 /nfs/dbraw/zinc/39/92/74/277399274.db2.gz UGJHSDLVDXIZCG-UHFFFAOYSA-N 1 0 346.397 2.704 50 0 EFAARO COc1cccc(CN2CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000019889886 278010329 /nfs/dbraw/zinc/01/03/29/278010329.db2.gz CNJDQQJIVOHZAX-HOTGVXAUSA-N 1 0 348.487 2.777 50 0 EFAARO COc1ccccc1NC(=O)NC[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000067982276 278057583 /nfs/dbraw/zinc/05/75/83/278057583.db2.gz NUMCUZMFFKYEGV-MRXNPFEDSA-N 1 0 340.427 2.734 50 0 EFAARO C[C@@]1(O)CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1Cc1ccccc1 ZINC000067757531 279173520 /nfs/dbraw/zinc/17/35/20/279173520.db2.gz FRTUZOHCFHMILI-PZJWPPBQSA-N 1 0 344.499 2.705 50 0 EFAARO CCN1CC2(CC1=O)CC[NH+](CCCOCc1ccccc1)CC2 ZINC000072428121 279256085 /nfs/dbraw/zinc/25/60/85/279256085.db2.gz CSLWXNRHLGSLCJ-UHFFFAOYSA-N 1 0 330.472 2.928 50 0 EFAARO Cc1nonc1C[N@@H+]1CC[C@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091350939 279262507 /nfs/dbraw/zinc/26/25/07/279262507.db2.gz OLRMYHRKHZXXRB-SFHVURJKSA-N 1 0 332.448 2.525 50 0 EFAARO O=C1OC2(CN1Cc1cc(F)ccc1C(F)(F)F)CC[NH2+]CC2 ZINC000095513067 280305724 /nfs/dbraw/zinc/30/57/24/280305724.db2.gz TYBRIAUIUKKXBN-UHFFFAOYSA-N 1 0 332.297 2.919 50 0 EFAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)Cn2ccnc2)cc1 ZINC000077505530 289224815 /nfs/dbraw/zinc/22/48/15/289224815.db2.gz ZMKBSGNUCDOPFA-GOSISDBHSA-N 1 0 326.444 2.699 50 0 EFAARO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000072423118 294152998 /nfs/dbraw/zinc/15/29/98/294152998.db2.gz ZYURDVMULDXNIH-MRXNPFEDSA-N 1 0 331.508 2.923 50 0 EFAARO [NH3+][C@H]1CC[C@@H]([C@@H]2CC(=O)Nc3cc(N4CCOC4=O)ccc32)CC1 ZINC000247754985 295341200 /nfs/dbraw/zinc/34/12/00/295341200.db2.gz VUCWSVNKPJNBLP-ZOWXZIJZSA-N 1 0 329.400 2.587 50 0 EFAARO CS(=O)(=O)N[C@@H]1c2cccc3cccc(c23)[C@H]1[NH+]1CCCCC1 ZINC000004958063 295536706 /nfs/dbraw/zinc/53/67/06/295536706.db2.gz JQILUMBUNLQQNH-QZTJIDSGSA-N 1 0 330.453 2.971 50 0 EFAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH2+]C[C@H]2CCCO2)CCCC1 ZINC000000571516 301913153 /nfs/dbraw/zinc/91/31/53/301913153.db2.gz PQWLICSTABIMFW-IAGOWNOFSA-N 1 0 342.483 2.958 50 0 EFAARO Cc1ccccc1[C@H](C(=O)N(C)CC[N@H+](C)C1CCCC1)N(C)C ZINC000095382369 302170270 /nfs/dbraw/zinc/17/02/70/302170270.db2.gz PIIQEDPTCRAOGZ-LJQANCHMSA-N 1 0 331.504 2.931 50 0 EFAARO CN(C)C(=O)c1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)nc1 ZINC000301234094 311125791 /nfs/dbraw/zinc/12/57/91/311125791.db2.gz KVBWZZXFERQNNE-OAHLLOKOSA-N 1 0 328.416 2.625 50 0 EFAARO CN(C)C(=O)c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc1 ZINC000301234092 311126003 /nfs/dbraw/zinc/12/60/03/311126003.db2.gz KVBWZZXFERQNNE-HNNXBMFYSA-N 1 0 328.416 2.625 50 0 EFAARO [NH3+]C[C@@H]1CCCCN1C(=O)NCCOc1cccc2ccccc21 ZINC000417164599 312195832 /nfs/dbraw/zinc/19/58/32/312195832.db2.gz PCQZBLFOCRYWFB-INIZCTEOSA-N 1 0 327.428 2.741 50 0 EFAARO O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2[NH2+]Cc1ccccc1 ZINC000041105034 472044296 /nfs/dbraw/zinc/04/42/96/472044296.db2.gz PBDUGLIMFCWXND-QGZVFWFLSA-N 1 0 339.439 2.819 50 0 EFAARO COc1cc(CNCCC[NH+](C)C)cc(Br)c1OC ZINC000057387110 472423811 /nfs/dbraw/zinc/42/38/11/472423811.db2.gz BYXQMAUDYMLJHQ-UHFFFAOYSA-N 1 0 331.254 2.508 50 0 EFAARO COc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC[N@H+](C)C1)CC(C)(C)O2 ZINC000071385322 472548954 /nfs/dbraw/zinc/54/89/54/472548954.db2.gz OWYFHFOLBDKMHL-XJKSGUPXSA-N 1 0 332.444 2.755 50 0 EFAARO Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)c2cnn(C3CCCC3)c2n1 ZINC000095478917 473212414 /nfs/dbraw/zinc/21/24/14/473212414.db2.gz CINCDHKKHXXSGV-UHFFFAOYSA-N 1 0 341.459 2.633 50 0 EFAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1nnc(N)s1 ZINC000095499657 473213568 /nfs/dbraw/zinc/21/35/68/473213568.db2.gz BLZXVSNRELFKOP-LBPRGKRZSA-N 1 0 345.472 2.597 50 0 EFAARO COCC[NH+]1CCC2(CC(=O)N(CCCc3ccccc3)C2)CC1 ZINC000095498885 473213884 /nfs/dbraw/zinc/21/38/84/473213884.db2.gz PJMSPSYIOVUALF-UHFFFAOYSA-N 1 0 330.472 2.580 50 0 EFAARO CSCCc1nc([C@@H]2CC[N@H+](C)C2)n(Cc2ccc(F)cc2)n1 ZINC000095503325 473215065 /nfs/dbraw/zinc/21/50/65/473215065.db2.gz IASAUXAVCRBZMV-CQSZACIVSA-N 1 0 334.464 2.790 50 0 EFAARO Nc1nccc(C2CC[NH+](C[C@H]3CCOc4ccccc4C3)CC2)n1 ZINC000095512271 473218049 /nfs/dbraw/zinc/21/80/49/473218049.db2.gz DYWMBANISCXNII-HNNXBMFYSA-N 1 0 338.455 2.880 50 0 EFAARO O=C(C1CCC1)N1CCC[N@H+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095519416 473219127 /nfs/dbraw/zinc/21/91/27/473219127.db2.gz YKYLHGSXJWESKK-QGZVFWFLSA-N 1 0 342.483 2.962 50 0 EFAARO O=C(C1CCC1)N1CCC[N@H+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095519417 473219281 /nfs/dbraw/zinc/21/92/81/473219281.db2.gz YKYLHGSXJWESKK-KRWDZBQOSA-N 1 0 342.483 2.962 50 0 EFAARO CCc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)on1 ZINC000095518472 473219448 /nfs/dbraw/zinc/21/94/48/473219448.db2.gz UTVONZXVMIKIPZ-CQSZACIVSA-N 1 0 331.416 2.701 50 0 EFAARO CCCc1nnc(N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)s1 ZINC000095525496 473219863 /nfs/dbraw/zinc/21/98/63/473219863.db2.gz ZQCICGALSLTJFB-AWEZNQCLSA-N 1 0 348.520 2.633 50 0 EFAARO CCc1ccc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](NC(C)=O)C2)o1 ZINC000095524421 473220290 /nfs/dbraw/zinc/22/02/90/473220290.db2.gz IIGREEASORJAPX-VQTJNVASSA-N 1 0 342.439 2.955 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)NCCc2noc(-c3ccccc3)n2)CC1 ZINC000095528107 473221112 /nfs/dbraw/zinc/22/11/12/473221112.db2.gz HTEQVWXAKVAJPI-UHFFFAOYSA-N 1 0 342.443 2.516 50 0 EFAARO CCCc1nc(C)cc(N2CCC([NH2+]Cc3cc(C)on3)CC2)n1 ZINC000095526113 473221355 /nfs/dbraw/zinc/22/13/55/473221355.db2.gz RKNQFJBIOJSULS-UHFFFAOYSA-N 1 0 329.448 2.793 50 0 EFAARO Cc1cc(N2CCCN(C(=O)c3cc(C(C)C)on3)CC2)cc[nH+]1 ZINC000082087850 473286605 /nfs/dbraw/zinc/28/66/05/473286605.db2.gz KEHPKNUPQWOAPZ-UHFFFAOYSA-N 1 0 328.416 2.854 50 0 EFAARO CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000082092595 473287029 /nfs/dbraw/zinc/28/70/29/473287029.db2.gz ULHJFTHTHIGHHP-QGZVFWFLSA-N 1 0 340.423 2.816 50 0 EFAARO c1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCOCC3)C1)OCCCO2 ZINC000082100250 473288715 /nfs/dbraw/zinc/28/87/15/473288715.db2.gz XJCMWXDQTKXWOK-MRXNPFEDSA-N 1 0 333.428 2.666 50 0 EFAARO CSCc1ccc(N2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)nc1 ZINC000082098916 473289041 /nfs/dbraw/zinc/28/90/41/473289041.db2.gz LBFZQJJKQLVKFH-INIZCTEOSA-N 1 0 348.560 2.797 50 0 EFAARO CO[C@H](C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1)c1ccccc1 ZINC000082108753 473291431 /nfs/dbraw/zinc/29/14/31/473291431.db2.gz DCAXKIVGNDKSPK-IBGZPJMESA-N 1 0 339.439 2.816 50 0 EFAARO CCCc1nnc(NCc2cc3n(n2)CCC[N@@H+](CCC)C3)s1 ZINC000082138611 473295731 /nfs/dbraw/zinc/29/57/31/473295731.db2.gz KKSNBMIQXCULMI-UHFFFAOYSA-N 1 0 334.493 2.915 50 0 EFAARO COc1ccc(F)c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1F ZINC000082155719 473295756 /nfs/dbraw/zinc/29/57/56/473295756.db2.gz PYZBGRLUVMBNRD-GFCCVEGCSA-N 1 0 327.371 2.791 50 0 EFAARO CC(C)NC(=O)c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)s1 ZINC000096131647 473309584 /nfs/dbraw/zinc/30/95/84/473309584.db2.gz MFUMJGRLKRSEOQ-UHFFFAOYSA-N 1 0 329.469 2.963 50 0 EFAARO O=C(NC[C@@H]1COc2ccccc2C1)C1([NH+]2CCCC2)CCCC1 ZINC000096151143 473316675 /nfs/dbraw/zinc/31/66/75/473316675.db2.gz DPDSVUFNTNZHHM-MRXNPFEDSA-N 1 0 328.456 2.763 50 0 EFAARO C[NH+]1CCN(CCCNC(=O)Nc2ccc(-c3ccco3)cc2)CC1 ZINC000096160351 473320233 /nfs/dbraw/zinc/32/02/33/473320233.db2.gz SKWIVJJEVVDSQG-UHFFFAOYSA-N 1 0 342.443 2.706 50 0 EFAARO Cc1ccc(Cn2nc(-c3ccccc3)nc2C[C@H]2C[NH2+]CCO2)cc1 ZINC000096161883 473319373 /nfs/dbraw/zinc/31/93/73/473319373.db2.gz NFKYTRCRLHBCKX-IBGZPJMESA-N 1 0 348.450 2.833 50 0 EFAARO COCCOc1cccc(NC(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000096165907 473321464 /nfs/dbraw/zinc/32/14/64/473321464.db2.gz WOCJUAHRXJTDID-HNNXBMFYSA-N 1 0 347.459 2.802 50 0 EFAARO CCc1nc2cc(NC(=O)N[C@@H]3C[NH+]4CCC3CC4)ccc2n1CC ZINC000096180398 473322558 /nfs/dbraw/zinc/32/25/58/473322558.db2.gz AILYKDPKNIQHRV-MRXNPFEDSA-N 1 0 341.459 2.834 50 0 EFAARO CC1(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[NH2+]CC1 ZINC000096166623 473323022 /nfs/dbraw/zinc/32/30/22/473323022.db2.gz QATSKDUHFYHXEV-RBUKOAKNSA-N 1 0 338.451 2.967 50 0 EFAARO Cc1nc(-c2nc(C[C@H]3C[NH2+]CCO3)n(C3CCCCC3)n2)cs1 ZINC000096162158 473320334 /nfs/dbraw/zinc/32/03/34/473320334.db2.gz CFCPPPITCFNEKE-AWEZNQCLSA-N 1 0 347.488 2.746 50 0 EFAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1n[nH]c2c1CCCCC2 ZINC000096222017 473353697 /nfs/dbraw/zinc/35/36/97/473353697.db2.gz QMNFNYXKEAWXNL-WMLDXEAASA-N 1 0 330.476 2.673 50 0 biogenic EFAARO C[NH+](C)CCn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@H]21 ZINC000096318996 473375460 /nfs/dbraw/zinc/37/54/60/473375460.db2.gz IXGJTGSPFBCMPT-SMDDNHRTSA-N 1 0 348.493 2.718 50 0 EFAARO COc1cccc(CCc2ccccc2OC[C@H](O)C[NH+](C)C)c1 ZINC000000004716 471317270 /nfs/dbraw/zinc/31/72/70/471317270.db2.gz VNRNJNRVACIMAP-GOSISDBHSA-N 1 0 329.440 2.782 50 0 EFAARO CCOC(=O)C1=C(C[NH+](CC)CC)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000000033405 471317712 /nfs/dbraw/zinc/31/77/12/471317712.db2.gz VHZUCRBTUKEUKY-KRWDZBQOSA-N 1 0 345.443 2.542 50 0 EFAARO CN(c1ncnc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000000099181 471323386 /nfs/dbraw/zinc/32/33/86/471323386.db2.gz NOPKPPIKSUUGKJ-UHFFFAOYSA-N 1 0 335.249 2.923 50 0 EFAARO CCOC(=O)c1cnc2c(CC)cccc2c1N1CC[NH+](C)CC1 ZINC000000131539 471327382 /nfs/dbraw/zinc/32/73/82/471327382.db2.gz OSNOLBWEGZWKRL-UHFFFAOYSA-N 1 0 327.428 2.726 50 0 EFAARO O=C([C@H]1CCC[N@H+](Cc2ccncc2)C1)N1CCc2ccccc2C1 ZINC000000212881 471335869 /nfs/dbraw/zinc/33/58/69/471335869.db2.gz WFKHITGEJNDWAT-FQEVSTJZSA-N 1 0 335.451 2.879 50 0 EFAARO O=C([C@@H]1CCC[NH2+]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000000252085 471340640 /nfs/dbraw/zinc/34/06/40/471340640.db2.gz SCDXKAXLDKXXGE-FQEVSTJZSA-N 1 0 349.478 2.672 50 0 EFAARO O=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccccc1 ZINC000000256569 471340935 /nfs/dbraw/zinc/34/09/35/471340935.db2.gz LEJZBSRRMGQHIT-UHFFFAOYSA-N 1 0 327.403 2.977 50 0 EFAARO CCN1CCN(C(=O)C2CC[NH+](C[C@H](C)c3ccccc3)CC2)CC1 ZINC000000299501 471344621 /nfs/dbraw/zinc/34/46/21/471344621.db2.gz CIGSFBVXRXZULC-SFHVURJKSA-N 1 0 343.515 2.666 50 0 EFAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000000299594 471344919 /nfs/dbraw/zinc/34/49/19/471344919.db2.gz BCOGFPOEZFVACN-CQSZACIVSA-N 1 0 334.460 2.831 50 0 EFAARO CCOc1ccc(C[NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000000317170 471346691 /nfs/dbraw/zinc/34/66/91/471346691.db2.gz ZDNGDLMCRVXIQW-LJQANCHMSA-N 1 0 346.471 2.593 50 0 EFAARO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccco1)c1ccccc1 ZINC000000317241 471347066 /nfs/dbraw/zinc/34/70/66/471347066.db2.gz OWODGFDXSCAERM-IAGOWNOFSA-N 1 0 334.441 2.659 50 0 EFAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000000360048 471351033 /nfs/dbraw/zinc/35/10/33/471351033.db2.gz KVMCOGFNHZVKRV-UHFFFAOYSA-N 1 0 327.428 2.665 50 0 EFAARO COc1cc(C)ccc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000384609 471354115 /nfs/dbraw/zinc/35/41/15/471354115.db2.gz GCXWWERXFCYZPR-UHFFFAOYSA-N 1 0 340.489 2.591 50 0 EFAARO Cc1ccc(NC(=O)[C@@H]2C=C(O)NC(Nc3cccc(C)c3)=[NH+]2)cc1 ZINC000000528866 471368957 /nfs/dbraw/zinc/36/89/57/471368957.db2.gz RWZFDFGDZXPTLO-INIZCTEOSA-N 1 0 336.395 2.599 50 0 EFAARO C[NH+](C)[C@H]1CCC[C@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000536431 471369925 /nfs/dbraw/zinc/36/99/25/471369925.db2.gz LSWJQVDIUFZAST-RBUKOAKNSA-N 1 0 339.435 2.948 50 0 EFAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc3ccccc3c2)n1 ZINC000000616200 471374672 /nfs/dbraw/zinc/37/46/72/471374672.db2.gz IJJMFVKACNMEEW-UHFFFAOYSA-N 1 0 325.397 2.525 50 0 EFAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000000620666 471374822 /nfs/dbraw/zinc/37/48/22/471374822.db2.gz VTSJVQCINSLFJM-UHFFFAOYSA-N 1 0 344.227 2.679 50 0 EFAARO COc1ccc(OC)c(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)c1 ZINC000000819204 471377724 /nfs/dbraw/zinc/37/77/24/471377724.db2.gz RHBPFLFXZFMWQE-UHFFFAOYSA-N 1 0 346.471 2.975 50 0 EFAARO C[NH+](C)CCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000001672931 471396898 /nfs/dbraw/zinc/39/68/98/471396898.db2.gz ORUVPDSOJMKLRQ-UHFFFAOYSA-N 1 0 330.823 2.833 50 0 EFAARO CC[C@@]1(C)C[C@](O)(CC[NH2+]Cc2ccc(OC)c(OC)c2)CCO1 ZINC000001774013 471398090 /nfs/dbraw/zinc/39/80/90/471398090.db2.gz LYWNZVLBDLLGAO-OALUTQOASA-N 1 0 337.460 2.894 50 0 biogenic EFAARO CC[NH+](CC)CCNC(=O)C(Oc1ccccc1)Oc1ccccc1 ZINC000002290159 471405616 /nfs/dbraw/zinc/40/56/16/471405616.db2.gz MLLLIZNFRZCRNI-UHFFFAOYSA-N 1 0 342.439 2.929 50 0 EFAARO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000002449380 471408407 /nfs/dbraw/zinc/40/84/07/471408407.db2.gz QPAMRWHFSHPTEB-LBPRGKRZSA-N 1 0 343.427 2.933 50 0 EFAARO C[C@H]1CCc2sc3nc(NCCC[NH+](C)C)n4ncnc4c3c2C1 ZINC000002444215 471408803 /nfs/dbraw/zinc/40/88/03/471408803.db2.gz SDYUOMNZMUOMMM-NSHDSACASA-N 1 0 344.488 2.827 50 0 EFAARO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000002901149 471427418 /nfs/dbraw/zinc/42/74/18/471427418.db2.gz MIOHSDYFTPOXGZ-UHFFFAOYSA-N 1 0 331.368 2.731 50 0 EFAARO [NH2+]=C1c2ccccc2CN1NC(=O)c1ccc(Br)cc1 ZINC000003291312 471440592 /nfs/dbraw/zinc/44/05/92/471440592.db2.gz HOAJTZLQLVBTCI-UHFFFAOYSA-N 1 0 330.185 2.935 50 0 EFAARO C[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3F)cc2)CC1 ZINC000005089669 471486365 /nfs/dbraw/zinc/48/63/65/471486365.db2.gz IGQWOYRINWGRIR-UHFFFAOYSA-N 1 0 343.402 2.595 50 0 EFAARO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000006454939 471545464 /nfs/dbraw/zinc/54/54/64/471545464.db2.gz OXWXXMDTFPNWGG-KBXCAEBGSA-N 1 0 328.412 2.736 50 0 EFAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4ccccc4)nc3c12 ZINC000006719664 471562060 /nfs/dbraw/zinc/56/20/60/471562060.db2.gz UVWGIERYEWXPOT-UHFFFAOYSA-N 1 0 334.427 2.924 50 0 EFAARO CCCCOc1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000006708766 471562202 /nfs/dbraw/zinc/56/22/02/471562202.db2.gz URXQBVBQGKUSQO-UHFFFAOYSA-N 1 0 347.444 2.551 50 0 EFAARO Cn1nnnc1SCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000006728981 471562869 /nfs/dbraw/zinc/56/28/69/471562869.db2.gz PRJZOCLMIOIGDG-UHFFFAOYSA-N 1 0 325.441 2.759 50 0 EFAARO CC[NH+]1CCN(c2ncnc3c2cnn3-c2ccc(C)c(C)c2)CC1 ZINC000008583068 471695224 /nfs/dbraw/zinc/69/52/24/471695224.db2.gz XFEFXMYOORCCLF-UHFFFAOYSA-N 1 0 336.443 2.574 50 0 EFAARO COCC[NH+](CCOC)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008579510 471696282 /nfs/dbraw/zinc/69/62/82/471696282.db2.gz ASVNSNPVRKVHPG-UHFFFAOYSA-N 1 0 332.444 2.960 50 0 EFAARO Cc1nn2c(nc(C)cc2N2CC[NH+](C)CC2)c1-c1ccc(F)cc1 ZINC000009303040 471713661 /nfs/dbraw/zinc/71/36/61/471713661.db2.gz OPEZNAHXVZFRAU-UHFFFAOYSA-N 1 0 339.418 2.904 50 0 EFAARO CN(CCC[NH+](C)C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000012573636 471783308 /nfs/dbraw/zinc/78/33/08/471783308.db2.gz ACCYUCOGBPVYDW-QGZVFWFLSA-N 1 0 337.895 2.828 50 0 EFAARO COc1cccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1OC ZINC000012631074 471787876 /nfs/dbraw/zinc/78/78/76/471787876.db2.gz OWNUPIJCCZZVMY-UHFFFAOYSA-N 1 0 332.444 2.794 50 0 EFAARO O=C(CCc1cnccn1)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012757354 471794242 /nfs/dbraw/zinc/79/42/42/471794242.db2.gz SUCWAFKEXYJEMC-QGZVFWFLSA-N 1 0 330.476 2.713 50 0 EFAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH+]1CCCCCC1 ZINC000012836722 471800278 /nfs/dbraw/zinc/80/02/78/471800278.db2.gz VMRDMBGCXRKBRL-NRFANRHFSA-N 1 0 344.499 2.849 50 0 EFAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCCO ZINC000012898811 471803952 /nfs/dbraw/zinc/80/39/52/471803952.db2.gz NMMSXZGTIOXZKM-UHFFFAOYSA-N 1 0 340.423 2.880 50 0 biogenic EFAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2oc1=O)c1ccsc1 ZINC000013011192 471813163 /nfs/dbraw/zinc/81/31/63/471813163.db2.gz BYLLFOQNZOLRGA-HNNXBMFYSA-N 1 0 342.420 2.887 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@@H]3CC)C2=O)cc1 ZINC000013404070 471828311 /nfs/dbraw/zinc/82/83/11/471828311.db2.gz DEYMRGFPFBMRFM-YOEHRIQHSA-N 1 0 330.428 2.982 50 0 EFAARO Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccccc1Cl ZINC000013425418 471829136 /nfs/dbraw/zinc/82/91/36/471829136.db2.gz FQQHNLGXEWTEMI-CQSZACIVSA-N 1 0 331.823 2.868 50 0 EFAARO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H](C)O1 ZINC000013425526 471829670 /nfs/dbraw/zinc/82/96/70/471829670.db2.gz LDZNUSPFEHIING-TXEJJXNPSA-N 1 0 341.249 2.887 50 0 EFAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CC1CC1)C2 ZINC000014743016 471878294 /nfs/dbraw/zinc/87/82/94/471878294.db2.gz UFZFDLVCKGOQCY-INIZCTEOSA-N 1 0 344.503 2.776 50 0 EFAARO CCC(CC)[NH2+][C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 ZINC000014960834 471882657 /nfs/dbraw/zinc/88/26/57/471882657.db2.gz BULIZFQMTIVKQB-QGZVFWFLSA-N 1 0 332.492 2.841 50 0 EFAARO Cc1c(C(=O)NCCC(C)C)sc2ncnc(NCC[NH+](C)C)c12 ZINC000015072807 471887717 /nfs/dbraw/zinc/88/77/17/471887717.db2.gz HGEGQTBMDIMRRM-UHFFFAOYSA-N 1 0 349.504 2.749 50 0 EFAARO C[N@H+](C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O)C1CCCCC1 ZINC000015061893 471888060 /nfs/dbraw/zinc/88/80/60/471888060.db2.gz OWRUKVOHGJXBFG-FQEVSTJZSA-N 1 0 348.462 2.944 50 0 EFAARO COc1ccc(CC2(CO)CC[NH+](CCCn3cccn3)CC2)cc1 ZINC000015073126 471888207 /nfs/dbraw/zinc/88/82/07/471888207.db2.gz OXMKCODNTYVDGU-UHFFFAOYSA-N 1 0 343.471 2.599 50 0 EFAARO O[C@H](COC1CCCCC1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016578907 471941695 /nfs/dbraw/zinc/94/16/95/471941695.db2.gz FRIXBUCBGTXTIE-SFHVURJKSA-N 1 0 336.451 2.658 50 0 EFAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000016607253 471944285 /nfs/dbraw/zinc/94/42/85/471944285.db2.gz VOQYTUJQKRKBDI-UHFFFAOYSA-N 1 0 349.434 2.884 50 0 EFAARO CC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000016605796 471944503 /nfs/dbraw/zinc/94/45/03/471944503.db2.gz NAVVAULOUFFLFJ-UHFFFAOYSA-N 1 0 325.250 2.592 50 0 EFAARO O[C@@H](COC1CCCC1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000016648212 471946647 /nfs/dbraw/zinc/94/66/47/471946647.db2.gz LJBPCZKJENTWEH-QGZVFWFLSA-N 1 0 338.879 2.782 50 0 EFAARO COC(=O)C1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000016696952 471947803 /nfs/dbraw/zinc/94/78/03/471947803.db2.gz ABKUDWKUABCGGM-UHFFFAOYSA-N 1 0 348.443 2.719 50 0 EFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2c[nH]nc2-c2cccc(F)c2)N1 ZINC000018099607 471969791 /nfs/dbraw/zinc/96/97/91/471969791.db2.gz RRMNCCYZKBJIDC-MRXNPFEDSA-N 1 0 347.357 2.662 50 0 EFAARO Cc1ccn2cc(C(=O)N(C)Cc3cccc(C[NH+](C)C)c3)nc2c1 ZINC000019113303 471977427 /nfs/dbraw/zinc/97/74/27/471977427.db2.gz SVQRZGSJVHFKBA-UHFFFAOYSA-N 1 0 336.439 2.977 50 0 EFAARO Cc1ccn2cc(C(=O)N3CCN(c4cc(C)[nH+]c(C)c4)CC3)nc2c1 ZINC000019146406 471977576 /nfs/dbraw/zinc/97/75/76/471977576.db2.gz GVQLNEFCXRFUHV-UHFFFAOYSA-N 1 0 349.438 2.617 50 0 EFAARO CC(=O)c1cc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)cs1 ZINC000019227128 471978701 /nfs/dbraw/zinc/97/87/01/471978701.db2.gz YQIONGYWILPVCK-INIZCTEOSA-N 1 0 338.517 2.865 50 0 EFAARO Cc1[nH]c2c(cccc2F)c1CC[NH+]1CCN(c2cnccn2)CC1 ZINC000019742079 471984083 /nfs/dbraw/zinc/98/40/83/471984083.db2.gz PDAMAMGDWGZLLE-UHFFFAOYSA-N 1 0 339.418 2.770 50 0 EFAARO COc1cc2c(cc1OC)C(C[NH3+])c1cc(OC)c(OC)cc1CC2 ZINC000019909618 471985356 /nfs/dbraw/zinc/98/53/56/471985356.db2.gz FUSFSEYZAHSGCB-UHFFFAOYSA-N 1 0 343.423 2.910 50 0 EFAARO CC1=[NH+]CCNC2=C1[C@H](c1ccccn1)N(c1ccc(F)cc1)C2=O ZINC000019874930 471986166 /nfs/dbraw/zinc/98/61/66/471986166.db2.gz HVNDNIONERSBQF-SFHVURJKSA-N 1 0 336.370 2.627 50 0 EFAARO COc1ccc([C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020218818 471988581 /nfs/dbraw/zinc/98/85/81/471988581.db2.gz WAXFAAZJWFAEEV-LJQANCHMSA-N 1 0 330.403 2.690 50 0 EFAARO CCOc1ccccc1OCC[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000034009789 471988893 /nfs/dbraw/zinc/98/88/93/471988893.db2.gz CPUQGOYCSRPPHW-UHFFFAOYSA-N 1 0 349.452 2.528 50 0 EFAARO Cc1cc2c(cc1F)[nH]c(=O)n2C1CC[NH+](C2CCOCC2)CC1 ZINC000034998897 471992963 /nfs/dbraw/zinc/99/29/63/471992963.db2.gz XGJTUORNDQJFHC-UHFFFAOYSA-N 1 0 333.407 2.593 50 0 in-vitro EFAARO Cc1ccc(N2CCN(C(=O)CC[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000020600630 471993056 /nfs/dbraw/zinc/99/30/56/471993056.db2.gz LKWOTSOHEJWLCI-SFHVURJKSA-N 1 0 329.488 2.766 50 0 EFAARO O=C1CCCN1c1cccc(N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000023368472 472032147 /nfs/dbraw/zinc/03/21/47/472032147.db2.gz GYYREBODFCLKDU-UHFFFAOYSA-N 1 0 343.471 2.505 50 0 EFAARO O=C([C@H]1CCC[NH2+]1)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000067773030 472088058 /nfs/dbraw/zinc/08/80/58/472088058.db2.gz LRZMFGKBQCHZRF-CQSZACIVSA-N 1 0 331.803 2.632 50 0 EFAARO C[N@@H+]1CCCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000025659063 472107058 /nfs/dbraw/zinc/10/70/58/472107058.db2.gz SVTHCNNBKJYCAB-HXUWFJFHSA-N 1 0 340.467 2.731 50 0 EFAARO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc(C)c2)cc1OC ZINC000068049437 472127951 /nfs/dbraw/zinc/12/79/51/472127951.db2.gz ZYIFWAXAQFMLBC-MRXNPFEDSA-N 1 0 331.412 2.542 50 0 EFAARO C[N@@H+]1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C2(CCCC2)C1 ZINC000085472722 472251322 /nfs/dbraw/zinc/25/13/22/472251322.db2.gz YDRAXCQHYYIEOC-FNORWQNLSA-N 1 0 328.412 2.515 50 0 EFAARO O=C1CC[C@@]2(CCC[N@H+](C/C=C/c3ccccc3)C2)CN1CCCO ZINC000085479073 472254613 /nfs/dbraw/zinc/25/46/13/472254613.db2.gz OQRADWPVJNLNSV-AZJBKQKUSA-N 1 0 342.483 2.787 50 0 EFAARO CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1O ZINC000044941177 472354320 /nfs/dbraw/zinc/35/43/20/472354320.db2.gz HTDXSIZCZUGTAG-MOPGFXCFSA-N 1 0 330.472 2.661 50 0 EFAARO Cc1cc(C)c(S(=O)(=O)NCCc2[nH+]cc3ccccn32)c(C)c1 ZINC000031773165 472393702 /nfs/dbraw/zinc/39/37/02/472393702.db2.gz OEZSCFOTTANATF-UHFFFAOYSA-N 1 0 343.452 2.781 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000031773297 472393912 /nfs/dbraw/zinc/39/39/12/472393912.db2.gz AKZGASCQLNXZEW-OAHLLOKOSA-N 1 0 330.359 2.587 50 0 EFAARO COc1ccc(-c2ccc(CNCC[NH2+]C[C@H](C)O)o2)cc1Cl ZINC000032541291 472444059 /nfs/dbraw/zinc/44/40/59/472444059.db2.gz NBKHWQKNOOGAJO-LBPRGKRZSA-N 1 0 338.835 2.669 50 0 EFAARO COc1ccc(-c2cc(C(=O)NC[C@@H](C)[NH+]3CCCCC3)no2)cc1 ZINC000032594177 472445149 /nfs/dbraw/zinc/44/51/49/472445149.db2.gz YPUAJBPTAVHIHN-CQSZACIVSA-N 1 0 343.427 2.954 50 0 EFAARO CCc1nnc2n1C[C@H]([NH2+]Cc1ccc(Br)s1)CC2 ZINC000097199594 472474450 /nfs/dbraw/zinc/47/44/50/472474450.db2.gz OAJACSNFLXIFPW-SECBINFHSA-N 1 0 341.278 2.769 50 0 EFAARO Cc1nnc2n1C[C@H]([NH2+]Cc1csc(-c3ccsc3)n1)CC2 ZINC000097199374 472474639 /nfs/dbraw/zinc/47/46/39/472474639.db2.gz LGWXBCZVZGYOMK-GFCCVEGCSA-N 1 0 331.470 2.876 50 0 EFAARO Cc1cn2c(C[NH2+][C@@H]3CCc4nnc(C(C)C)n4C3)c(C)nc2s1 ZINC000097199468 472474989 /nfs/dbraw/zinc/47/49/89/472474989.db2.gz VBUTWDFEGXCOLO-CYBMUJFWSA-N 1 0 344.488 2.832 50 0 EFAARO CC(=O)Nc1nc(CN2CC[C@H](CNc3cc(C)cc[nH+]3)C2)cs1 ZINC000097200720 472477563 /nfs/dbraw/zinc/47/75/63/472477563.db2.gz URIVREOPXLQSIT-CQSZACIVSA-N 1 0 345.472 2.739 50 0 EFAARO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200602 472477757 /nfs/dbraw/zinc/47/77/57/472477757.db2.gz XTAACWJUSHVDJG-HUUCEWRRSA-N 1 0 344.484 2.582 50 0 EFAARO COCCC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077287906 472493850 /nfs/dbraw/zinc/49/38/50/472493850.db2.gz PRHYMSWARYXZBE-NRFANRHFSA-N 1 0 344.499 2.970 50 0 EFAARO Cc1nc2c(c(N(C)C[C@@H]3CC[N@H+](C)C3)n1)Cc1ccccc1OC2 ZINC000097402552 472496303 /nfs/dbraw/zinc/49/63/03/472496303.db2.gz FTKQAAFWILCRBV-OAHLLOKOSA-N 1 0 338.455 2.656 50 0 EFAARO C[N@H+](Cc1cc(-c2cccnc2)no1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000077300745 472496806 /nfs/dbraw/zinc/49/68/06/472496806.db2.gz ZHTDHSUBYOUZCY-MRXNPFEDSA-N 1 0 343.427 2.897 50 0 EFAARO Cn1ccnc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077321496 472502701 /nfs/dbraw/zinc/50/27/01/472502701.db2.gz PIKUKRIKUXOGAM-KRWDZBQOSA-N 1 0 349.438 2.701 50 0 EFAARO O=C(CCC[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1ccc(F)cc1 ZINC000077323851 472503299 /nfs/dbraw/zinc/50/32/99/472503299.db2.gz YTUUIFJXLIJMNV-IBGZPJMESA-N 1 0 348.462 2.975 50 0 EFAARO COc1ccccc1-n1cc(C[N@H+](C)[C@H](C)Cc2cnccn2)cn1 ZINC000097815323 472508007 /nfs/dbraw/zinc/50/80/07/472508007.db2.gz XUXMLVCICPENEC-OAHLLOKOSA-N 1 0 337.427 2.734 50 0 EFAARO CCCc1ccc2oc(C(=O)NCC3(O)CC[NH+](C)CC3)c(C)c2c1 ZINC000077356944 472511224 /nfs/dbraw/zinc/51/12/24/472511224.db2.gz FLBPXCHVFNIFRG-UHFFFAOYSA-N 1 0 344.455 2.880 50 0 EFAARO CCCc1cc(C(=O)NC2(C[NH+]3CCCC3)CCCCC2)n(C)n1 ZINC000077355178 472511440 /nfs/dbraw/zinc/51/14/40/472511440.db2.gz HCXSOKSYYWDINE-UHFFFAOYSA-N 1 0 332.492 2.901 50 0 EFAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1[nH]nc2ccc(OC)cc21 ZINC000077379879 472517001 /nfs/dbraw/zinc/51/70/01/472517001.db2.gz ZZFNHFASLYZFAO-CYBMUJFWSA-N 1 0 331.416 2.879 50 0 EFAARO CC(=O)NCC1CC[NH+](Cc2cnc(C3CCCCC3)nc2)CC1 ZINC000077390987 472518101 /nfs/dbraw/zinc/51/81/01/472518101.db2.gz WNXKANZXWRCGKF-UHFFFAOYSA-N 1 0 330.476 2.872 50 0 EFAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000077438584 472527189 /nfs/dbraw/zinc/52/71/89/472527189.db2.gz RRLVDOVYJWMEIU-MRXNPFEDSA-N 1 0 326.444 2.819 50 0 EFAARO CCc1nc2c(ncnc2N2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000077472570 472532574 /nfs/dbraw/zinc/53/25/74/472532574.db2.gz VXIQGDILJQHIPO-UHFFFAOYSA-N 1 0 337.427 2.811 50 0 EFAARO COc1ccc(OC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000077487056 472536133 /nfs/dbraw/zinc/53/61/33/472536133.db2.gz LSPNQULYPVXZEX-SFHVURJKSA-N 1 0 332.444 2.549 50 0 EFAARO C[C@@H](C1CCN(Cc2c(F)cccc2F)CC1)[NH+]1CCN(C)CC1 ZINC000077489051 472537048 /nfs/dbraw/zinc/53/70/48/472537048.db2.gz SGWFWJHNEQFCCB-HNNXBMFYSA-N 1 0 337.458 2.813 50 0 EFAARO COc1c(CNC2CC[NH+](Cc3cccc(C)c3)CC2)c(C)nn1C ZINC000058311950 472543181 /nfs/dbraw/zinc/54/31/81/472543181.db2.gz IYAXRPKWPHWTOD-UHFFFAOYSA-N 1 0 342.487 2.800 50 0 EFAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)COCc1ccccc1 ZINC000077518688 472544699 /nfs/dbraw/zinc/54/46/99/472544699.db2.gz IENPGIQWRWEQFZ-FQEVSTJZSA-N 1 0 338.451 2.718 50 0 EFAARO O=C(c1cccc2ccccc21)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077517978 472545114 /nfs/dbraw/zinc/54/51/14/472545114.db2.gz AAHLLDBGMJBWEO-OAQYLSRUSA-N 1 0 338.451 2.903 50 0 EFAARO COCCN1C[C@]2(CCC[N@H+](Cc3ccc(C)s3)C2)CCC1=O ZINC000077541095 472551346 /nfs/dbraw/zinc/55/13/46/472551346.db2.gz FDIXTFNGEMWYOH-GOSISDBHSA-N 1 0 336.501 2.908 50 0 EFAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](CCN3CCCC3=O)C2)cc1 ZINC000071589642 472553762 /nfs/dbraw/zinc/55/37/62/472553762.db2.gz DMUGSSQFHRWKMF-INIZCTEOSA-N 1 0 346.496 2.926 50 0 EFAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](CCN3CCCC3=O)C2)cc1 ZINC000071589641 472553980 /nfs/dbraw/zinc/55/39/80/472553980.db2.gz DMUGSSQFHRWKMF-MRXNPFEDSA-N 1 0 346.496 2.926 50 0 EFAARO C[C@H](c1ccc(-c2nccn2CCN2CCOCC2)cc1)[NH+](C)C ZINC000071721512 472556858 /nfs/dbraw/zinc/55/68/58/472556858.db2.gz NJRNMRMJOZMHFW-MRXNPFEDSA-N 1 0 328.460 2.505 50 0 EFAARO FC(F)(F)[C@@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000071730653 472556989 /nfs/dbraw/zinc/55/69/89/472556989.db2.gz RBKBWAZSDSYROT-INIZCTEOSA-N 1 0 328.378 2.914 50 0 EFAARO COc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c(O)c1 ZINC000071714539 472557040 /nfs/dbraw/zinc/55/70/40/472557040.db2.gz AEEFFSPNRNQVHV-SFHVURJKSA-N 1 0 346.471 2.983 50 0 EFAARO CC(C)[C@@H]1C[N@H+](Cc2cnn(C)c2C2CC2)CCC(=O)N1CC1CC1 ZINC000071730235 472557071 /nfs/dbraw/zinc/55/70/71/472557071.db2.gz AJSBTPQFDAEBBU-SFHVURJKSA-N 1 0 344.503 2.766 50 0 EFAARO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)Nc2ccc(OC)cc2)[nH]1 ZINC000071747460 472557979 /nfs/dbraw/zinc/55/79/79/472557979.db2.gz UHCOSVDQNSDROM-HOTGVXAUSA-N 1 0 342.443 2.573 50 0 EFAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NC3(c4ccccc4)CC3)C2)CC1 ZINC000071749643 472558657 /nfs/dbraw/zinc/55/86/57/472558657.db2.gz JGFIOEXCDSDMTG-KRWDZBQOSA-N 1 0 341.499 2.598 50 0 EFAARO CC(C)[C@H]1CN(C(=O)c2cn3ccccc3n2)CCC[N@@H+]1CC1CC1 ZINC000071753319 472560586 /nfs/dbraw/zinc/56/05/86/472560586.db2.gz RUILJHUMRABNTB-GOSISDBHSA-N 1 0 340.471 2.917 50 0 EFAARO COc1ccc(OC)c(CC[NH2+]C[C@H](O)COc2cccc(C)c2)c1 ZINC000071767442 472562469 /nfs/dbraw/zinc/56/24/69/472562469.db2.gz WZOXYBYAZGNOQZ-KRWDZBQOSA-N 1 0 345.439 2.584 50 0 EFAARO COc1cc(C[NH2+]Cc2c(C(C)C)nn(C)c2N(C)C)cc(OC)c1 ZINC000058394279 472562927 /nfs/dbraw/zinc/56/29/27/472562927.db2.gz DGNDPABBSSVBCR-UHFFFAOYSA-N 1 0 346.475 2.917 50 0 EFAARO COc1cccc(CC[NH2+]C[C@H](O)COc2cccc(C)c2)c1OC ZINC000071767438 472563124 /nfs/dbraw/zinc/56/31/24/472563124.db2.gz BAZMIGKELUORMU-KRWDZBQOSA-N 1 0 345.439 2.584 50 0 EFAARO CC(C)[C@H]1CN(C(=O)c2ccc3n[nH]nc3c2)CCC[N@@H+]1CC1CC1 ZINC000071764530 472563586 /nfs/dbraw/zinc/56/35/86/472563586.db2.gz RNXZDZXDILAJMG-GOSISDBHSA-N 1 0 341.459 2.540 50 0 EFAARO COc1c(CNC2CC[NH+](Cc3ccccc3C)CC2)c(C)nn1C ZINC000058413957 472565981 /nfs/dbraw/zinc/56/59/81/472565981.db2.gz HTVGPLRWRPXJLU-UHFFFAOYSA-N 1 0 342.487 2.800 50 0 EFAARO Cn1nccc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000071853504 472583931 /nfs/dbraw/zinc/58/39/31/472583931.db2.gz KHXJYFJSOFCHEM-ROUUACIJSA-N 1 0 338.455 2.689 50 0 EFAARO CC(C)c1ccc([C@H](C)NC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000077753528 472601745 /nfs/dbraw/zinc/60/17/45/472601745.db2.gz IJSCUCPSKVBYMT-HNNXBMFYSA-N 1 0 333.476 2.627 50 0 EFAARO [NH3+][C@H]1CCCN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC000072120756 472631186 /nfs/dbraw/zinc/63/11/86/472631186.db2.gz UOUFMKGRHWBFRC-JTQLQIEISA-N 1 0 326.322 2.535 50 0 EFAARO O=C1NC[C@@]2(CCC[N@@H+](Cc3cc4c(cc3Cl)OCO4)CC2)O1 ZINC000072159451 472632253 /nfs/dbraw/zinc/63/22/53/472632253.db2.gz QATQSFFMYGPAKJ-INIZCTEOSA-N 1 0 338.791 2.533 50 0 EFAARO CCn1cncc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072165229 472633517 /nfs/dbraw/zinc/63/35/17/472633517.db2.gz VEGSRLIZPZZCTE-PWRODBHTSA-N 1 0 336.483 2.965 50 0 EFAARO Cc1cc(C)n(Cc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)n1 ZINC000061637941 472713557 /nfs/dbraw/zinc/71/35/57/472713557.db2.gz UIKXRYMCDWMCKT-UHFFFAOYSA-N 1 0 340.471 2.764 50 0 EFAARO COc1ccc(OC)c([C@H]2[NH2+]CC[C@@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000061717620 472715341 /nfs/dbraw/zinc/71/53/41/472715341.db2.gz HINAQJUAGMVCCT-MJGOQNOKSA-N 1 0 342.370 2.767 50 0 EFAARO CC(C)([NH3+])C(=O)N1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000091350499 472758192 /nfs/dbraw/zinc/75/81/92/472758192.db2.gz ANFYXXNVXKRZCM-GFCCVEGCSA-N 1 0 342.361 2.864 50 0 EFAARO O=C(c1cc[nH]n1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091350509 472758926 /nfs/dbraw/zinc/75/89/26/472758926.db2.gz RJFSUQNOCKPVNK-ZWKOTPCHSA-N 1 0 338.455 2.579 50 0 EFAARO CC(C)([NH3+])C(=O)N1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000091350498 472759087 /nfs/dbraw/zinc/75/90/87/472759087.db2.gz ANFYXXNVXKRZCM-LBPRGKRZSA-N 1 0 342.361 2.864 50 0 EFAARO COCC[C@]1(O)CC[N@H+](Cc2cnc(-c3cccs3)nc2)C[C@H]1C ZINC000091365284 472759903 /nfs/dbraw/zinc/75/99/03/472759903.db2.gz MSHRSZZVIBUDMS-RDTXWAMCSA-N 1 0 347.484 2.815 50 0 EFAARO Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](NC(=O)CC2CCC2)[C@@H](C2CC2)C1 ZINC000091547589 472776347 /nfs/dbraw/zinc/77/63/47/472776347.db2.gz NGTXSIIVTCGTDM-MSOLQXFVSA-N 1 0 330.476 2.543 50 0 EFAARO FC(F)(F)c1ccc2[nH]c(-c3cn(C4CC[NH2+]CC4)nn3)nc2c1 ZINC000091656596 472790953 /nfs/dbraw/zinc/79/09/53/472790953.db2.gz ZXPLQWJGBOTPKJ-UHFFFAOYSA-N 1 0 336.321 2.765 50 0 EFAARO CCC(CC)C[N@@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000092019353 472845089 /nfs/dbraw/zinc/84/50/89/472845089.db2.gz LLLCWBSNPUCMIN-UHFFFAOYSA-N 1 0 332.492 2.941 50 0 EFAARO Cc1ccc(C(=O)N2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)c(C)c1 ZINC000048379574 472870016 /nfs/dbraw/zinc/87/00/16/472870016.db2.gz GFPMVXJDWQCWKX-UHFFFAOYSA-N 1 0 341.459 2.566 50 0 EFAARO CCCn1ncc(-c2ccnc(NCC[C@H]3CCC[N@@H+]3C)n2)c1C ZINC000048435979 472877399 /nfs/dbraw/zinc/87/73/99/472877399.db2.gz MVWUGBHBMABODJ-OAHLLOKOSA-N 1 0 328.464 2.955 50 0 EFAARO Cc1c[nH]c(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c(C)c1=O ZINC000106944122 472917586 /nfs/dbraw/zinc/91/75/86/472917586.db2.gz ZFEBZUISNFUAHT-LJQANCHMSA-N 1 0 331.504 2.934 50 0 EFAARO Cc1cc(N(C)C)nc(NCCNC(=O)Nc2cccc(Cl)c2)[nH+]1 ZINC000065365234 472927070 /nfs/dbraw/zinc/92/70/70/472927070.db2.gz IUWDJUZIQBVDEA-UHFFFAOYSA-N 1 0 348.838 2.738 50 0 EFAARO C[NH+]1CCN(c2cc(-c3csc4ccccc34)nc(N)n2)CC1 ZINC000065373674 472927761 /nfs/dbraw/zinc/92/77/61/472927761.db2.gz AKZKIZFODDCOGQ-UHFFFAOYSA-N 1 0 325.441 2.692 50 0 EFAARO Cc1ccc(OC2(C(=O)N[C@H](C)c3cccnc3)CC[NH2+]CC2)cc1 ZINC000065373016 472928312 /nfs/dbraw/zinc/92/83/12/472928312.db2.gz MWGKRQMLBPFHDW-MRXNPFEDSA-N 1 0 339.439 2.768 50 0 EFAARO C[C@@H]([NH2+]CCc1csc(-c2cccnc2)n1)C(=O)NC1CCCC1 ZINC000065376393 472929593 /nfs/dbraw/zinc/92/95/93/472929593.db2.gz GGEJINLYNMFLRT-CYBMUJFWSA-N 1 0 344.484 2.785 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)CC1 ZINC000065382614 472929646 /nfs/dbraw/zinc/92/96/46/472929646.db2.gz SZPMBOIWQYTSRW-IBGZPJMESA-N 1 0 345.487 2.710 50 0 EFAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1CCn1c(C)cccc1=O ZINC000065374343 472929703 /nfs/dbraw/zinc/92/97/03/472929703.db2.gz OWEWHCNQOLXULK-UHFFFAOYSA-N 1 0 337.427 2.807 50 0 EFAARO Cc1ccc(C)c(NC(=O)CCNC(=O)C[NH+]2CCCCCC2)c1 ZINC000065393481 472932214 /nfs/dbraw/zinc/93/22/14/472932214.db2.gz ZZJZLXRUKKPRAF-UHFFFAOYSA-N 1 0 331.460 2.624 50 0 EFAARO C[C@H]([NH2+]CC1(c2cccc(F)c2)CCOCC1)C(=O)NC1CCCC1 ZINC000065395964 472932243 /nfs/dbraw/zinc/93/22/43/472932243.db2.gz GXGBREXULLGGDK-HNNXBMFYSA-N 1 0 348.462 2.911 50 0 EFAARO O=C(c1ccccc1)N1CCC([NH2+]CCN2CCc3ccccc32)CC1 ZINC000065398328 472934353 /nfs/dbraw/zinc/93/43/53/472934353.db2.gz NBWKWLMRMFSPKJ-UHFFFAOYSA-N 1 0 349.478 2.944 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N2CC[C@@](O)(c3ccccc3C)C2)CC1 ZINC000065403770 472934953 /nfs/dbraw/zinc/93/49/53/472934953.db2.gz FCUZKXSSYMCBGY-NRFANRHFSA-N 1 0 344.499 2.927 50 0 EFAARO CCn1ncnc1[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000065404846 472935420 /nfs/dbraw/zinc/93/54/20/472935420.db2.gz SPFSLKSFTPLQME-HNNXBMFYSA-N 1 0 341.459 2.775 50 0 EFAARO C[C@H](C(=O)NC1CCCC1)[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000065418851 472938948 /nfs/dbraw/zinc/93/89/48/472938948.db2.gz QGTPCDZAVGBMLV-OAHLLOKOSA-N 1 0 326.444 2.751 50 0 EFAARO CC(C)Cc1noc([C@@H](C)Nc2nc(CC[NH3+])nc3ccccc32)n1 ZINC000065455865 472945806 /nfs/dbraw/zinc/94/58/06/472945806.db2.gz XGNKTWLFJITFCV-GFCCVEGCSA-N 1 0 340.431 2.886 50 0 EFAARO Cc1nc(-c2ccc(CNC(=O)CC[C@H]3CCC[N@@H+](C)C3)cc2)no1 ZINC000065461179 472946782 /nfs/dbraw/zinc/94/67/82/472946782.db2.gz LHMUYTDRYQFKND-MRXNPFEDSA-N 1 0 342.443 2.783 50 0 EFAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 ZINC000065462059 472946830 /nfs/dbraw/zinc/94/68/30/472946830.db2.gz ZJPQHGAGQIXGOR-GOSISDBHSA-N 1 0 340.467 2.542 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3ccnc3)C1)OCO2 ZINC000065460376 472947230 /nfs/dbraw/zinc/94/72/30/472947230.db2.gz QHRYSVJZYQFSIX-AWEZNQCLSA-N 1 0 329.400 2.533 50 0 EFAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2C)C1 ZINC000065463503 472948052 /nfs/dbraw/zinc/94/80/52/472948052.db2.gz HOVMYBJBSYNCLR-QGZVFWFLSA-N 1 0 326.444 2.529 50 0 EFAARO CN(C[C@H]1Cc2ccccc2O1)c1nc(CC[NH3+])nc2ccccc21 ZINC000065505244 472960312 /nfs/dbraw/zinc/96/03/12/472960312.db2.gz ROTQTYYTANVZQV-OAHLLOKOSA-N 1 0 334.423 2.571 50 0 EFAARO Cc1nnc2n1C[C@H]([NH2+]Cc1csc(Br)c1)CC2 ZINC000065563805 472976142 /nfs/dbraw/zinc/97/61/42/472976142.db2.gz JJMQPLYKYQBGCA-SNVBAGLBSA-N 1 0 327.251 2.515 50 0 EFAARO O=C([C@@H]1CCOC1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065623798 472995212 /nfs/dbraw/zinc/99/52/12/472995212.db2.gz IMIFBYPLOVBYMS-QRVBRYPASA-N 1 0 328.456 2.679 50 0 EFAARO C[C@@H]1CC(C)(C)N(C(=O)CN2CCN(C)CC2)c2ccc(F)cc21 ZINC000169681438 473548388 /nfs/dbraw/zinc/54/83/88/473548388.db2.gz MOZJOLXCYXDQSY-CQSZACIVSA-N 1 0 333.451 2.692 50 0 EFAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCO[C@H](C)C1 ZINC000170768905 473608587 /nfs/dbraw/zinc/60/85/87/473608587.db2.gz HPIZWJNHTFLOSJ-GFCCVEGCSA-N 1 0 326.824 2.788 50 0 EFAARO O=C1N(Cc2ccc(C(F)(F)F)cc2)CCN1C1CC[NH2+]CC1 ZINC000263624352 473786910 /nfs/dbraw/zinc/78/69/10/473786910.db2.gz PPNHANSSBNEROP-UHFFFAOYSA-N 1 0 327.350 2.695 50 0 EFAARO O=C1N(Cc2ccc(OC(F)(F)F)cc2)CCN1C1CC[NH2+]CC1 ZINC000263623476 473787315 /nfs/dbraw/zinc/78/73/15/473787315.db2.gz HSXGTEVLZLTHGN-UHFFFAOYSA-N 1 0 343.349 2.575 50 0 EFAARO CN(Cc1ccccc1OCCO)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000216474435 474140805 /nfs/dbraw/zinc/14/08/05/474140805.db2.gz HXOAJINNPYAOEL-HXUWFJFHSA-N 1 0 340.467 2.546 50 0 EFAARO FC(F)(F)c1ccc(N2CCC([NH2+][C@H]3C[C@@H]4OCC[C@H]34)CC2)nc1 ZINC000220404292 474154920 /nfs/dbraw/zinc/15/49/20/474154920.db2.gz YFCJJKCCWDDEQZ-ILXRZTDVSA-N 1 0 341.377 2.836 50 0 EFAARO COc1ccc(CN(C)c2cc([C@H]3C[C@H]([NH3+])C3)ncn2)c2cccnc12 ZINC000220645801 474155834 /nfs/dbraw/zinc/15/58/34/474155834.db2.gz MHBNTIUWLOGQSJ-GASCZTMLSA-N 1 0 349.438 2.875 50 0 EFAARO O=C(COc1ccc(C[NH+]2CCCCCCC2)cc1)N1CCOCC1 ZINC000220712962 474157505 /nfs/dbraw/zinc/15/75/05/474157505.db2.gz JCJOECWCZOEGFP-UHFFFAOYSA-N 1 0 346.471 2.690 50 0 EFAARO COc1ccc(OC)c(C(=O)CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000220965484 474158558 /nfs/dbraw/zinc/15/85/58/474158558.db2.gz HSZUMIVVKUDJCK-UHFFFAOYSA-N 1 0 346.471 2.837 50 0 EFAARO COc1ccccc1C[C@@H]1CCCN1c1ncnc2c1CN(C)CC2 ZINC000222193255 474165792 /nfs/dbraw/zinc/16/57/92/474165792.db2.gz BRCDYTBMEYDSFO-INIZCTEOSA-N 1 0 338.455 2.685 50 0 EFAARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)Cc1c(F)ccc(Cl)c1F)C2 ZINC000222415477 474169130 /nfs/dbraw/zinc/16/91/30/474169130.db2.gz JJZGZSQVAQFOHN-FTJFQDGESA-N 1 0 342.817 2.959 50 0 EFAARO Cn1ccnc1CN(CCO)Cc1ccc(OC2CCCC2)cc1 ZINC000222544823 474170822 /nfs/dbraw/zinc/17/08/22/474170822.db2.gz VQINZOZZPOEKIS-UHFFFAOYSA-N 1 0 329.444 2.736 50 0 EFAARO CC(C)(C)n1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCCC2)c1 ZINC000222637090 474173177 /nfs/dbraw/zinc/17/31/77/474173177.db2.gz HOTWLDRLBBKLAJ-XMTFNYHQSA-N 1 0 345.487 2.615 50 0 EFAARO Cc1cccc(-c2ccccc2C(=O)N2CCN3CC[N@@H+](C)C[C@@H]3C2)c1 ZINC000223474343 474185271 /nfs/dbraw/zinc/18/52/71/474185271.db2.gz ZBGVUUOXWCJXCA-LJQANCHMSA-N 1 0 349.478 2.734 50 0 EFAARO O=C(CC[NH+]1Cc2ccccc2C1)N1CC[C@](O)(c2ccccc2)C1 ZINC000223415868 474185826 /nfs/dbraw/zinc/18/58/26/474185826.db2.gz MDJUZNCLAZTCFR-OAQYLSRUSA-N 1 0 336.435 2.512 50 0 EFAARO O=C([C@@H]1CCOC1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000247850129 474217175 /nfs/dbraw/zinc/21/71/75/474217175.db2.gz IMIFBYPLOVBYMS-GUDVDZBRSA-N 1 0 328.456 2.679 50 0 EFAARO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000225562238 474225268 /nfs/dbraw/zinc/22/52/68/474225268.db2.gz ZRLNBOREYKKKJU-UHFFFAOYSA-N 1 0 338.398 2.586 50 0 EFAARO Cc1ccccc1OC1(C(=O)[O-])CC[NH+](C[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000248011214 474245107 /nfs/dbraw/zinc/24/51/07/474245107.db2.gz IUMRAXMQZZLJEZ-CALCHBBNSA-N 1 0 346.471 2.811 50 0 EFAARO CN(CC(=O)Nc1ccn(C)n1)Cc1ccccc1C(F)(F)F ZINC000240203778 474547457 /nfs/dbraw/zinc/54/74/57/474547457.db2.gz JTCQFVYWDXXGCD-UHFFFAOYSA-N 1 0 326.322 2.509 50 0 EFAARO O=C(C[N@@H+]1CCCC[C@@H]1CCn1cccn1)NCc1cccs1 ZINC000240163586 474548186 /nfs/dbraw/zinc/54/81/86/474548186.db2.gz JCCBGQTZLYSKPP-OAHLLOKOSA-N 1 0 332.473 2.506 50 0 EFAARO CCCc1cc(N2CCC([NH2+][C@H]3CC[C@H](O)CC3)CC2)nc(C)n1 ZINC000244678476 474565602 /nfs/dbraw/zinc/56/56/02/474565602.db2.gz IEBZIMKFKSMTJI-RZDIXWSQSA-N 1 0 332.492 2.599 50 0 EFAARO O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1cnn(-c2cccc(F)c2)c1 ZINC000244734439 474566778 /nfs/dbraw/zinc/56/67/78/474566778.db2.gz NFNAZODJOSLJNJ-PBHICJAKSA-N 1 0 342.418 2.502 50 0 EFAARO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(OC)c3ncccc23)o1 ZINC000244795306 474567257 /nfs/dbraw/zinc/56/72/57/474567257.db2.gz RDQKMLYYQIOQCQ-UHFFFAOYSA-N 1 0 339.395 2.828 50 0 EFAARO c1nc2ccccc2n1CCN1CCC([NH+]2CCSCC2)CC1 ZINC000244866533 474568027 /nfs/dbraw/zinc/56/80/27/474568027.db2.gz VXUDHMTWHGFTFA-UHFFFAOYSA-N 1 0 330.501 2.550 50 0 EFAARO CCCc1ccc(-c2ccc(C(=O)NC[C@]3(O)CC[NH2+]C3)cc2)cc1 ZINC000252482654 474667360 /nfs/dbraw/zinc/66/73/60/474667360.db2.gz DLRPBBRAHDUIIC-NRFANRHFSA-N 1 0 338.451 2.760 50 0 EFAARO Cc1ccc(CN(C(=O)CN2CC[C@H]([NH+](C)C)C2)C2CCCC2)cc1 ZINC000252482695 474667793 /nfs/dbraw/zinc/66/77/93/474667793.db2.gz DMDINFFIYCMKOQ-FQEVSTJZSA-N 1 0 343.515 2.902 50 0 EFAARO O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)NCC1(c2ccccc2)CCOCC1 ZINC000252483519 474668826 /nfs/dbraw/zinc/66/88/26/474668826.db2.gz FDINAYRGWKDXFD-MJGOQNOKSA-N 1 0 342.483 2.725 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2cncn2C2CCCCC2)C[C@@H]1CCO ZINC000252509475 474687417 /nfs/dbraw/zinc/68/74/17/474687417.db2.gz YOMXKHWOOZQTQH-IBGZPJMESA-N 1 0 348.535 2.913 50 0 EFAARO CN(C/C=C/c1ccccc1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000252532846 474694171 /nfs/dbraw/zinc/69/41/71/474694171.db2.gz FIHIPXDCEHYLMG-HGQRNUMOSA-N 1 0 337.471 2.963 50 0 EFAARO O=C(/C=C/c1cccs1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000253394002 474733676 /nfs/dbraw/zinc/73/36/76/474733676.db2.gz GIKSJLFRLMGTGO-ONEGZZNKSA-N 1 0 334.485 2.769 50 0 EFAARO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]n1 ZINC000253413770 474740949 /nfs/dbraw/zinc/74/09/49/474740949.db2.gz VPXZLXSEMWRTJR-MAUKXSAKSA-N 1 0 332.492 2.945 50 0 biogenic EFAARO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cccc(-c2ccccc2)c1 ZINC000287510221 475178154 /nfs/dbraw/zinc/17/81/54/475178154.db2.gz FJATVWHRESHOBL-IBGZPJMESA-N 1 0 338.455 2.721 50 0 EFAARO Cc1cc(N2CCCN(C(=O)[C@@H]3CCCO3)CC2)c2ccccc2[nH+]1 ZINC000361815728 475777129 /nfs/dbraw/zinc/77/71/29/475777129.db2.gz SSUOVBPZALJREV-IBGZPJMESA-N 1 0 339.439 2.761 50 0 EFAARO NC(=O)c1cccc(NC(=O)NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000299774742 476153134 /nfs/dbraw/zinc/15/31/34/476153134.db2.gz IBIJXRYWOKMCDZ-AWEZNQCLSA-N 1 0 344.459 2.562 50 0 EFAARO Nc1nc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)cs1 ZINC000299783978 476154045 /nfs/dbraw/zinc/15/40/45/476154045.db2.gz YCOVRZQSSYWISY-XHSDSOJGSA-N 1 0 342.468 2.567 50 0 EFAARO CN1CC[NH+](C[C@@H]2CCCN(Cc3ccc(Cl)s3)C2)CC1 ZINC000371422284 477310583 /nfs/dbraw/zinc/31/05/83/477310583.db2.gz FCDXUENXACUUOZ-AWEZNQCLSA-N 1 0 327.925 2.861 50 0 EFAARO Cc1nc2ccc(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)cc2o1 ZINC000426518900 477711570 /nfs/dbraw/zinc/71/15/70/477711570.db2.gz CUCFYCPNLHWKGL-MRXNPFEDSA-N 1 0 343.427 2.509 50 0 EFAARO O=C(NCCCC[NH+]1CCCCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000426531601 477715102 /nfs/dbraw/zinc/71/51/02/477715102.db2.gz MRIINXHYLUGXBF-UHFFFAOYSA-N 1 0 347.507 2.955 50 0 EFAARO O=C(NCCc1nc2ccccc2o1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000426538024 477717601 /nfs/dbraw/zinc/71/76/01/477717601.db2.gz BQIKQWPZRJHMRA-GDBMZVCRSA-N 1 0 327.428 2.751 50 0 EFAARO CCN(Cc1noc(C2CCC2)n1)C(=O)CC[C@H](C)[NH+]1CCCC1 ZINC000426584703 477721578 /nfs/dbraw/zinc/72/15/78/477721578.db2.gz MYVFFSRKCVSYGH-AWEZNQCLSA-N 1 0 334.464 2.950 50 0 EFAARO O=C(NCC[C@H](c1ccco1)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000426606821 477725245 /nfs/dbraw/zinc/72/52/45/477725245.db2.gz XEWJVCLGSCJRPA-INIZCTEOSA-N 1 0 331.391 2.556 50 0 EFAARO COc1c(C)cnc(CSc2nnc(C3CC[NH2+]CC3)n2C)c1C ZINC000426602438 477725282 /nfs/dbraw/zinc/72/52/82/477725282.db2.gz JRGUSENBUFSANH-UHFFFAOYSA-N 1 0 347.488 2.595 50 0 EFAARO Cc1cnccc1Sc1nnc([C@@H]([NH3+])Cc2ccccc2)n1C ZINC000426635331 477729414 /nfs/dbraw/zinc/72/94/14/477729414.db2.gz KAJUPJRMSRCNHY-AWEZNQCLSA-N 1 0 325.441 2.912 50 0 EFAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000426683797 477737525 /nfs/dbraw/zinc/73/75/25/477737525.db2.gz KISWJUGOXOCGDF-HXUWFJFHSA-N 1 0 338.455 2.978 50 0 EFAARO C[NH+](C)C[C@H]1CCN(C(=O)NCc2cccc(C(F)(F)F)c2F)C1 ZINC000426689288 477738334 /nfs/dbraw/zinc/73/83/34/477738334.db2.gz QEZXGWVSMPZKDS-LLVKDONJSA-N 1 0 347.356 2.938 50 0 EFAARO C[NH+]1CCN(Cc2ccc(-c3cccc4c3OC(F)(F)O4)nc2)CC1 ZINC000426726690 477743918 /nfs/dbraw/zinc/74/39/18/477743918.db2.gz CDDCLDGAQSJFHU-UHFFFAOYSA-N 1 0 347.365 2.818 50 0 EFAARO Cc1nccn1C[C@H](C)[NH2+]C1CCN(Cc2ccccc2F)CC1 ZINC000534590060 478160693 /nfs/dbraw/zinc/16/06/93/478160693.db2.gz ZZHUTRCIYWTGQD-HNNXBMFYSA-N 1 0 330.451 2.973 50 0 EFAARO CC(=O)c1ncc(C(=O)NC[C@@H](c2cccc(C)c2)[NH+](C)C)s1 ZINC000534636208 478163464 /nfs/dbraw/zinc/16/34/64/478163464.db2.gz UNQUBCJVIBPOOD-AWEZNQCLSA-N 1 0 331.441 2.687 50 0 EFAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2nnc3ccccn32)cc1 ZINC000534633559 478163692 /nfs/dbraw/zinc/16/36/92/478163692.db2.gz HFVXIMMCSOFWAK-KRWDZBQOSA-N 1 0 349.438 2.610 50 0 EFAARO CC(=O)N1CCC[C@H]([NH2+]C2CCN(c3cc(C)cc(C)c3)CC2)C1 ZINC000534653034 478165689 /nfs/dbraw/zinc/16/56/89/478165689.db2.gz IYDUJJOXXWOEKI-IBGZPJMESA-N 1 0 329.488 2.873 50 0 EFAARO Cc1cccc([C@H](CNC(=O)N(C)CCC2(O)CCCC2)[NH+](C)C)c1 ZINC000534660602 478166987 /nfs/dbraw/zinc/16/69/87/478166987.db2.gz SZXAXMSDAJUJOM-SFHVURJKSA-N 1 0 347.503 2.934 50 0 EFAARO COCC[N@@H+]1CCC[C@H](CN(C)C(=O)NCc2ccc(C)cc2C)C1 ZINC000534660282 478167287 /nfs/dbraw/zinc/16/72/87/478167287.db2.gz INUBOJVLTLSBGT-GOSISDBHSA-N 1 0 347.503 2.803 50 0 EFAARO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCCOc2ccccc2OC)C1 ZINC000534655885 478167565 /nfs/dbraw/zinc/16/75/65/478167565.db2.gz WDECPZSOUZGKNM-INIZCTEOSA-N 1 0 349.475 2.590 50 0 EFAARO O=C(NCc1cc(Cl)ccc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000534658868 478167729 /nfs/dbraw/zinc/16/77/29/478167729.db2.gz AAZFVMRPRHCRHP-ZDUSSCGKSA-N 1 0 328.243 2.983 50 0 EFAARO Cc1ccc(CN(CCCO)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000534669100 478168665 /nfs/dbraw/zinc/16/86/65/478168665.db2.gz HPIASLNCGVYZQC-GOSISDBHSA-N 1 0 347.503 2.621 50 0 EFAARO CSc1ncc(C(=O)NC[C@@H](c2ccccc2C)[NH+](C)C)cn1 ZINC000534667895 478168793 /nfs/dbraw/zinc/16/87/93/478168793.db2.gz DZDAGYKQVOZNJM-HNNXBMFYSA-N 1 0 330.457 2.540 50 0 EFAARO O=C(CCc1cc(Cl)no1)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000503908699 478848219 /nfs/dbraw/zinc/84/82/19/478848219.db2.gz NPMQPPQFHYFFTO-OCCSQVGLSA-N 1 0 325.840 2.641 50 0 EFAARO O=C1NCN(C2CCCCC2)C12CC[NH+](Cc1ccccc1)CC2 ZINC000602993655 479184905 /nfs/dbraw/zinc/18/49/05/479184905.db2.gz REWBCBYJTJKXOU-UHFFFAOYSA-N 1 0 327.472 2.743 50 0 EFAARO Cc1c[nH]c(CN(C)C(=O)NC[C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000584886741 479271714 /nfs/dbraw/zinc/27/17/14/479271714.db2.gz BCBMFBQIPYGJET-MRXNPFEDSA-N 1 0 347.507 2.904 50 0 EFAARO O=C(c1ccnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1)N1CCCCC1 ZINC000584890278 479272745 /nfs/dbraw/zinc/27/27/45/479272745.db2.gz NLPXDVTTYOZDNC-HNNXBMFYSA-N 1 0 328.460 2.604 50 0 EFAARO O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)N1CC(c2ccccn2)C1 ZINC000584888332 479272827 /nfs/dbraw/zinc/27/28/27/479272827.db2.gz UZNQZEOFPGVEBZ-INIZCTEOSA-N 1 0 328.460 2.597 50 0 EFAARO C[NH+](C)C(C)(C)Cn1cnc2ccc(OC(F)(F)F)cc2c1=O ZINC000584890675 479273254 /nfs/dbraw/zinc/27/32/54/479273254.db2.gz WHNUKBUZRKGGML-UHFFFAOYSA-N 1 0 329.322 2.635 50 0 EFAARO O=c1c2c(F)cccc2ncn1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000584889796 479273495 /nfs/dbraw/zinc/27/34/95/479273495.db2.gz TWSSGBPUIHWWCR-HNNXBMFYSA-N 1 0 327.359 2.966 50 0 EFAARO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000584892376 479273905 /nfs/dbraw/zinc/27/39/05/479273905.db2.gz BYTKLTLWSOWHQO-CYBMUJFWSA-N 1 0 347.438 2.716 50 0 EFAARO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000584892377 479274007 /nfs/dbraw/zinc/27/40/07/479274007.db2.gz BYTKLTLWSOWHQO-ZDUSSCGKSA-N 1 0 347.438 2.716 50 0 EFAARO Cc1ccc(OC2CN(C(=O)NC[C@H](C)[NH+]3CCCCC3)C2)cc1 ZINC000584895609 479274379 /nfs/dbraw/zinc/27/43/79/479274379.db2.gz QQZLTBNGOUVIMV-INIZCTEOSA-N 1 0 331.460 2.642 50 0 EFAARO Cc1cccc(C)c1OC1CN(C(=O)NCC[C@H](C)[NH+]2CCCC2)C1 ZINC000584899629 479275324 /nfs/dbraw/zinc/27/53/24/479275324.db2.gz UHTMXSQKLYOSPN-KRWDZBQOSA-N 1 0 345.487 2.950 50 0 EFAARO CN(Cc1ccc2ncccc2c1)C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC000426506660 536473837 /nfs/dbraw/zinc/47/38/37/536473837.db2.gz LYTHZBVSJWVXJK-QGZVFWFLSA-N 1 0 326.444 2.861 50 0 EFAARO CC1(C)Cc2cc(CNc3cc([C@H]4C[C@H]([NH3+])C4)nc(N)n3)ccc2O1 ZINC000244817007 534946304 /nfs/dbraw/zinc/94/63/04/534946304.db2.gz SSSVMZROUUGVRK-MQMHXKEQSA-N 1 0 339.443 2.589 50 0 EFAARO CCCNc1ncc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000214977887 535206129 /nfs/dbraw/zinc/20/61/29/535206129.db2.gz VCDBPLYCBCSKPG-SFHVURJKSA-N 1 0 325.460 2.787 50 0 EFAARO CC(C)Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n(C)n1 ZINC000230204802 535336425 /nfs/dbraw/zinc/33/64/25/535336425.db2.gz NYWXNLZRXUUNNZ-RDJZCZTQSA-N 1 0 332.492 2.613 50 0 biogenic EFAARO CCOc1ccc2nc(C[N@@H+]3CCC[C@](C)(C(N)=O)C3)ccc2c1 ZINC000216474226 535442993 /nfs/dbraw/zinc/44/29/93/535442993.db2.gz AAHAVRYQQOYXDI-IBGZPJMESA-N 1 0 327.428 2.721 50 0 EFAARO CCc1cccc(OC2CN(C(=O)NCCC3CC[NH+](C)CC3)C2)c1 ZINC000426386349 535903501 /nfs/dbraw/zinc/90/35/01/535903501.db2.gz NWQGFYQEMKNFLH-UHFFFAOYSA-N 1 0 345.487 2.754 50 0 EFAARO CCn1c(CN(C)CCSc2ccccc2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244748541 535980162 /nfs/dbraw/zinc/98/01/62/535980162.db2.gz OJLJDCDWHGNOIP-GASCZTMLSA-N 1 0 345.516 2.727 50 0 EFAARO CCn1c(COc2cccc3c2OC(C)(C)C3)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244874197 535985751 /nfs/dbraw/zinc/98/57/51/535985751.db2.gz WWGYVYDCHWDMFM-OKILXGFUSA-N 1 0 342.443 2.795 50 0 EFAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)c2[nH]nc(N)c2Cl)cc1 ZINC000216521242 536020707 /nfs/dbraw/zinc/02/07/07/536020707.db2.gz LIBZGWJRMFYMCH-CYBMUJFWSA-N 1 0 347.850 2.684 50 0 EFAARO C[N@H+](CCC(=O)Nc1cccnc1)Cc1ccc2nsnc2c1 ZINC000244874635 536307688 /nfs/dbraw/zinc/30/76/88/536307688.db2.gz XESHLIYGFUWGET-UHFFFAOYSA-N 1 0 327.413 2.547 50 0 EFAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000426429831 536370838 /nfs/dbraw/zinc/37/08/38/536370838.db2.gz PPBHJKBMTCCURI-GOSISDBHSA-N 1 0 345.487 2.862 50 0 EFAARO COc1ccc(-n2c(C[NH3+])nnc2SCC[C@@H]2CC2(F)F)cc1 ZINC000426472611 536551803 /nfs/dbraw/zinc/55/18/03/536551803.db2.gz CQHIWADSRHIHNH-SNVBAGLBSA-N 1 0 340.399 2.872 50 0 EFAARO [NH3+]CC[C@@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CCO1 ZINC000223002660 545561332 /nfs/dbraw/zinc/56/13/32/545561332.db2.gz VKQAVYYHWOZKML-GOSISDBHSA-N 1 0 326.396 2.669 50 0 EFAARO [NH3+]Cc1cc(I)ccc1OCC(F)(F)F ZINC000585672364 546371897 /nfs/dbraw/zinc/37/18/97/546371897.db2.gz CPGIRJXLHBEHEO-UHFFFAOYSA-N 1 0 331.075 2.691 50 0 EFAARO C[N@@H+]1CCCCC[C@@H]1c1nc(-c2c[nH]c3ccccc23)nn1CCO ZINC000670451594 547491194 /nfs/dbraw/zinc/49/11/94/547491194.db2.gz JTYSRNSPZAXURK-QGZVFWFLSA-N 1 0 339.443 2.966 50 0 EFAARO C[C@H](CCc1ncnn1Cc1ccccc1Cl)[NH+]1CCN(C)CC1 ZINC000670454887 547492629 /nfs/dbraw/zinc/49/26/29/547492629.db2.gz YYDUTCOIUCYMDY-OAHLLOKOSA-N 1 0 347.894 2.548 50 0 EFAARO C[C@@H](c1ccccc1F)N(C)C(=O)c1c[nH]c(C2CC[NH2+]CC2)n1 ZINC000685942626 550197190 /nfs/dbraw/zinc/19/71/90/550197190.db2.gz PYLFWWQTJHSVDL-LBPRGKRZSA-N 1 0 330.407 2.849 50 0 EFAARO Cc1nc2cc(CC(=O)NCc3cccc(C[NH+](C)C)c3)ccc2[nH]1 ZINC000584884590 563562632 /nfs/dbraw/zinc/56/26/32/563562632.db2.gz FUJSMTPGPHXDLD-UHFFFAOYSA-N 1 0 336.439 2.792 50 0 EFAARO COC1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C)C2)CC1 ZINC000584884333 564131371 /nfs/dbraw/zinc/13/13/71/564131371.db2.gz JTZMDWUKZFADPE-KRWDZBQOSA-N 1 0 345.487 2.637 50 0 EFAARO C[C@H](CCNC(=O)N(C)Cc1nc2ccccc2n1C)[NH+]1CCCC1 ZINC000584884277 564131398 /nfs/dbraw/zinc/13/13/98/564131398.db2.gz YSMZYYQOBHBFGN-OAHLLOKOSA-N 1 0 343.475 2.589 50 0 EFAARO CC(=O)Nc1ccc2nc(C[N@H+](C)CCCn3cccn3)ccc2c1 ZINC000823709273 1265417964 /nfs/dbraw/zinc/41/79/64/1265417964.db2.gz SKTARYCZEQOJRX-UHFFFAOYSA-N 1 0 337.427 2.912 50 0 EFAARO Cc1cccc(N2CCC([N@H+]3C[C@H]4CCCN4C(=O)[C@H]3C)CC2)c1C ZINC001772703541 1249287267 /nfs/dbraw/zinc/28/72/67/1249287267.db2.gz ODXYFUARURWVQK-IEBWSBKVSA-N 1 0 341.499 2.967 50 0 EFAARO COc1cc(C[N@@H+]2C[C@@H]3COCC[C@]3(CO)C2)ccc1OCC(C)C ZINC001772703968 1249288175 /nfs/dbraw/zinc/28/81/75/1249288175.db2.gz AQIRONBFAOJDAC-YLJYHZDGSA-N 1 0 349.471 2.561 50 0 EFAARO CC(=O)c1cnc(NC2CC[NH+](C3CCSCC3)CC2)nc1C ZINC001772711144 1249299480 /nfs/dbraw/zinc/29/94/80/1249299480.db2.gz ZGNVTAXBRYCLPO-UHFFFAOYSA-N 1 0 334.489 2.760 50 0 EFAARO Cc1cc(C)n(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000823765065 1265427441 /nfs/dbraw/zinc/42/74/41/1265427441.db2.gz SAZVUWSMCKTYOT-UHFFFAOYSA-N 1 0 342.443 2.612 50 0 EFAARO O=C(N[C@@H]1CCN(Cc2ccsc2)C1)c1cc(-c2ccco2)n[nH]1 ZINC000618257273 1263288010 /nfs/dbraw/zinc/28/80/10/1263288010.db2.gz UMBUYOGIPKIVTJ-CYBMUJFWSA-N 1 0 342.424 2.736 50 0 EFAARO O=C(N[C@@H]1CCN(Cc2ccsc2)C1)c1cnc2ccccc2n1 ZINC000618257374 1263288249 /nfs/dbraw/zinc/28/82/49/1263288249.db2.gz VEYDGOFBYUQQDV-CQSZACIVSA-N 1 0 338.436 2.696 50 0 EFAARO O=C(CCc1cccnc1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011821033 1264009261 /nfs/dbraw/zinc/00/92/61/1264009261.db2.gz CYUCGNRWDPGCSA-HXUWFJFHSA-N 1 0 337.467 2.838 50 0 EFAARO CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000821418422 1264946136 /nfs/dbraw/zinc/94/61/36/1264946136.db2.gz RDZDJEJLDYILRE-SFHVURJKSA-N 1 0 331.460 2.772 50 0 EFAARO C[C@H](C1CCC1)[N@H+]1CCC(=O)N(CCOc2ccc(F)cc2)CC1 ZINC000012150508 1265064210 /nfs/dbraw/zinc/06/42/10/1265064210.db2.gz DEDHXWOKTVHWJA-OAHLLOKOSA-N 1 0 334.435 2.927 50 0 EFAARO CCCCCc1nc([C@@H](C)N2CC[NH+](C)CC2)n(CC(F)(F)F)n1 ZINC000822859020 1265168484 /nfs/dbraw/zinc/16/84/84/1265168484.db2.gz JOBFYPDIGXRFIP-CYBMUJFWSA-N 1 0 347.429 2.882 50 0 EFAARO COC(=O)c1ccc(CN2CC[C@@H]([NH2+]C(C)(C)C)CCC2=O)cc1 ZINC000012245377 1265369580 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1284915840 /nfs/dbraw/zinc/91/58/40/1284915840.db2.gz XDADUAFVEPFRGX-GOSISDBHSA-N 1 0 325.456 2.543 50 0 EFAARO Cc1ccccc1[C@H](C(=O)N1CCN(Cc2ccco2)CC1)N(C)C ZINC000952965660 1284924806 /nfs/dbraw/zinc/92/48/06/1284924806.db2.gz QRESJQSVQOGQQD-LJQANCHMSA-N 1 0 341.455 2.535 50 0 EFAARO COc1ccccc1OCc1nc(C(C)(C)[NH3+])n(CC(F)(F)F)n1 ZINC000952969923 1284935214 /nfs/dbraw/zinc/93/52/14/1284935214.db2.gz BDCCDHMADLTTCN-UHFFFAOYSA-N 1 0 344.337 2.622 50 0 EFAARO OC[C@@H]1CCCCN1CC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000952969337 1284935650 /nfs/dbraw/zinc/93/56/50/1284935650.db2.gz SRYZLKPILUGBEW-INIZCTEOSA-N 1 0 331.485 2.747 50 0 EFAARO COc1ccc(-n2cccn2)c(C[NH2+]CCCn2nc(C)cc2C)c1 ZINC000952970742 1284937435 /nfs/dbraw/zinc/93/74/35/1284937435.db2.gz QBCLJRQIRWLVGE-UHFFFAOYSA-N 1 0 339.443 2.874 50 0 EFAARO Cn1cccc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)c1=O ZINC000952972077 1284942512 /nfs/dbraw/zinc/94/25/12/1284942512.db2.gz UUEOOFLKJMJUOD-UHFFFAOYSA-N 1 0 325.412 2.624 50 0 EFAARO CC(C)C(=O)Nc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)c1 ZINC000952972179 1284943022 /nfs/dbraw/zinc/94/30/22/1284943022.db2.gz FTXPYLZKAACMHG-YJBOKZPZSA-N 1 0 343.471 2.837 50 0 EFAARO COCCn1cnnc1[C@@H](C)NCc1[nH]c2ccc(F)cc2c1C ZINC000952974966 1284947677 /nfs/dbraw/zinc/94/76/77/1284947677.db2.gz LMLNDJPRRKYOBZ-GFCCVEGCSA-N 1 0 331.395 2.704 50 0 EFAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1cnc(N2CCCCC2)nc1 ZINC000952980909 1284964240 /nfs/dbraw/zinc/96/42/40/1284964240.db2.gz YDQQVQLOXVATTJ-UHFFFAOYSA-N 1 0 342.491 2.871 50 0 EFAARO CC[C@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1nc(C)c(C)s1 ZINC000952982932 1284979236 /nfs/dbraw/zinc/97/92/36/1284979236.db2.gz NLPREWIZKUKFIT-HNNXBMFYSA-N 1 0 333.457 2.865 50 0 EFAARO Cn1nccc1CCC(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000952983673 1284980341 /nfs/dbraw/zinc/98/03/41/1284980341.db2.gz QIXZRBBBHOUPRB-UHFFFAOYSA-N 1 0 326.444 2.977 50 0 EFAARO COc1cc(F)c(C(=O)N(C)CC[N@H+](C)C2CCCC2)c(F)c1 ZINC000952983941 1284981065 /nfs/dbraw/zinc/98/10/65/1284981065.db2.gz 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ZINC000091657087 1290326291 /nfs/dbraw/zinc/32/62/91/1290326291.db2.gz APMIPLQNRMJCBD-CALCHBBNSA-N 1 0 344.480 2.826 50 0 EFAARO CC1CCC([C@@H]([NH3+])[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000958527876 1292866463 /nfs/dbraw/zinc/86/64/63/1292866463.db2.gz IBYMSXZKVQMSJW-PPPKJHQXSA-N 1 0 326.481 2.902 50 0 EFAARO Cc1ncsc1C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012703423 1307060681 /nfs/dbraw/zinc/06/06/81/1307060681.db2.gz OUUBDPQOHGIXJM-MRXNPFEDSA-N 1 0 329.469 2.888 50 0 EFAARO c1ccc2c(c1)cccc2-c1cnnc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000012753500 1307210424 /nfs/dbraw/zinc/21/04/24/1307210424.db2.gz WXSIOSJTFNCPTJ-INIZCTEOSA-N 1 0 331.423 2.976 50 0 EFAARO CCn1cc(C[N@H+]2CCC(=O)N(Cc3cccc(C)c3)CC2)c(C)n1 ZINC000014886654 1311345915 /nfs/dbraw/zinc/34/59/15/1311345915.db2.gz NYBNLUIRKFQHOG-UHFFFAOYSA-N 1 0 340.471 2.754 50 0 EFAARO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](C(C)C)C3)C2=O)c1OC ZINC000015061872 1311466702 /nfs/dbraw/zinc/46/67/02/1311466702.db2.gz JKOAAKLAYFJGOF-FQEVSTJZSA-N 1 0 346.471 2.927 50 0 EFAARO O=C(CCN1CCCCC1=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000015065989 1311466729 /nfs/dbraw/zinc/46/67/29/1311466729.db2.gz RUZULYRAZYBIAP-KRWDZBQOSA-N 1 0 349.519 2.692 50 0 EFAARO COc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001016194841 1312647562 /nfs/dbraw/zinc/64/75/62/1312647562.db2.gz NKPMTMBGJYJHRN-INIZCTEOSA-N 1 0 330.453 2.690 50 0 EFAARO Cc1c(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)cnn1C ZINC000019788798 1314540067 /nfs/dbraw/zinc/54/00/67/1314540067.db2.gz FDRRJASMFWHARC-HXUWFJFHSA-N 1 0 326.488 2.867 50 0 EFAARO Cc1ncc2c(c1-c1noc(-c3noc4c3CCCC4)n1)CC[NH2+]C2 ZINC000020854472 1314734383 /nfs/dbraw/zinc/73/43/83/1314734383.db2.gz HAEBUHKNNCISNK-UHFFFAOYSA-N 1 0 337.383 2.620 50 0 EFAARO C[N@H+](Cc1ccccc1)C1(C(=O)N2CCCO2)Cc2ccccc2C1 ZINC000039359736 1315916526 /nfs/dbraw/zinc/91/65/26/1315916526.db2.gz NAECOSOFJWQGBN-UHFFFAOYSA-N 1 0 336.435 2.820 50 0 EFAARO Cc1ncc2c(c1CNC(=O)c1cc(Cl)ccc1F)CC[NH2+]C2 ZINC000072431362 1316229490 /nfs/dbraw/zinc/22/94/90/1316229490.db2.gz NKKOFFBANUYVHZ-UHFFFAOYSA-N 1 0 333.794 2.758 50 0 EFAARO CC[C@@H](C(=O)Nc1ccc(C)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001421609840 1378878623 /nfs/dbraw/zinc/87/86/23/1378878623.db2.gz AYZHSPGWQYZKBK-IBGZPJMESA-N 1 0 338.455 2.929 50 0 EFAARO C[NH+](C)CCN(Cc1ccc2c(c1)OC(F)(F)O2)C[C@H]1CCCO1 ZINC001423193765 1381552122 /nfs/dbraw/zinc/55/21/22/1381552122.db2.gz GICPZTIULOYRBX-CQSZACIVSA-N 1 0 342.386 2.551 50 0 EFAARO C[N@@H+]1CCC[C@@H](c2nnc3sc(COc4ccccc4)nn32)C1 ZINC001501040529 1403416870 /nfs/dbraw/zinc/41/68/70/1403416870.db2.gz WLIXIRLADBAJSS-GFCCVEGCSA-N 1 0 329.429 2.574 50 0 EFAARO CC(=O)c1ccc(C(=O)Nc2ccnn2C2CC[NH+](C)CC2)s1 ZINC001506406710 1405753661 /nfs/dbraw/zinc/75/36/61/1405753661.db2.gz NAIMEMFCDIXCTK-UHFFFAOYSA-N 1 0 332.429 2.666 50 0 EFAARO CN(Cc1nnc(-c2cccnc2)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001506407134 1405754074 /nfs/dbraw/zinc/75/40/74/1405754074.db2.gz OJNDURFLGBYOHQ-GOSISDBHSA-N 1 0 349.438 2.838 50 0 EFAARO COCC[NH+]1CCC(C(=O)Nc2nc3c(cccc3F)s2)CC1 ZINC001506408240 1405754988 /nfs/dbraw/zinc/75/49/88/1405754988.db2.gz WJMCCUIFCINYAL-UHFFFAOYSA-N 1 0 337.420 2.732 50 0 EFAARO Cc1cc(C)n(CC2(C[NH2+][C@H]3CCC(=O)N(CC4CC4)CC3)CC2)n1 ZINC001506411913 1405757034 /nfs/dbraw/zinc/75/70/34/1405757034.db2.gz LTXPHIULVGYSTP-SFHVURJKSA-N 1 0 344.503 2.661 50 0 EFAARO O=C(c1ccoc1)N1CCC[N@@H+]([C@H]2CCN(c3ccccc3)C2)CC1 ZINC001506412369 1405758012 /nfs/dbraw/zinc/75/80/12/1405758012.db2.gz CWINNNSMLIGUIJ-IBGZPJMESA-N 1 0 339.439 2.706 50 0 EFAARO Cc1ccc(N2CCC([NH2+]CCc3ncnn3C)CC2)cc1Cl ZINC001506416786 1405760207 /nfs/dbraw/zinc/76/02/07/1405760207.db2.gz MCBQWLVAWMJAES-UHFFFAOYSA-N 1 0 333.867 2.578 50 0 EFAARO Cc1cc(=O)n(CC[N@@H+]2CCC[C@H](c3ccccc3)CC2)c(=O)[nH]1 ZINC001506419256 1405761232 /nfs/dbraw/zinc/76/12/32/1405761232.db2.gz MWOQSWIDHMNLPU-KRWDZBQOSA-N 1 0 327.428 2.527 50 0 EFAARO O=C(C1CCC1)N1CCC[N@@H+]([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001506431213 1405766865 /nfs/dbraw/zinc/76/68/65/1405766865.db2.gz DWWOVKUTLVDGOF-LJQANCHMSA-N 1 0 327.472 2.600 50 0 EFAARO O=C(c1cccs1)N1CCC[C@@H]([NH2+]C2CSCCSC2)C1 ZINC001506429637 1405767087 /nfs/dbraw/zinc/76/70/87/1405767087.db2.gz VPGRHPXUMJWAGT-GFCCVEGCSA-N 1 0 342.555 2.791 50 0 EFAARO COc1cc(F)c(CN(CC[NH+](C)C)Cc2[nH]cnc2C)c(F)c1 ZINC001704311139 1417903954 /nfs/dbraw/zinc/90/39/54/1417903954.db2.gz ZOOYTWFALCQLAG-UHFFFAOYSA-N 1 0 338.402 2.569 50 0 EFAARO CCc1cc(NCCCn2nc(C)nc2C)nc(N2CCCCC2)[nH+]1 ZINC001704311597 1417904316 /nfs/dbraw/zinc/90/43/16/1417904316.db2.gz NFLOOLZOGZMQFF-UHFFFAOYSA-N 1 0 343.479 2.740 50 0 EFAARO CC[C@]1(C(=O)NCc2ccccn2)C[C@H]2CC[C@@H]1[N@@H+]2C1CCOCC1 ZINC001704313087 1417904894 /nfs/dbraw/zinc/90/48/94/1417904894.db2.gz NHSUOGJOUDLTKP-HBFSDRIKSA-N 1 0 343.471 2.510 50 0 EFAARO C[NH+](C)CCN(Cc1c[nH]cn1)C(=O)c1cccc(C(F)(F)F)c1 ZINC001704313174 1417905128 /nfs/dbraw/zinc/90/51/28/1417905128.db2.gz HMGKAWYEVUBPLJ-UHFFFAOYSA-N 1 0 340.349 2.633 50 0 EFAARO C[NH+](C)CCN(Cc1c[nH]cn1)C(=O)CC(C)(C)c1ccccc1 ZINC001704313875 1417905200 /nfs/dbraw/zinc/90/52/00/1417905200.db2.gz MEXMSWMTENVJEJ-UHFFFAOYSA-N 1 0 328.460 2.668 50 0 EFAARO Cc1nc(CN(CC[NH+](C)C)Cc2ccc3cccc(F)c3n2)c[nH]1 ZINC001704316022 1417905515 /nfs/dbraw/zinc/90/55/15/1417905515.db2.gz SONDNGOITFSMRF-UHFFFAOYSA-N 1 0 341.434 2.969 50 0 EFAARO [NH3+][C@H](C(=O)N1CCC2(CC1)OCCc1ccsc12)c1ccccc1 ZINC001704325763 1417907723 /nfs/dbraw/zinc/90/77/23/1417907723.db2.gz QSMHCWYDRGGCDY-INIZCTEOSA-N 1 0 342.464 2.839 50 0 EFAARO C[NH+](C)CCN(Cc1c[nH]cn1)C(=O)CCc1ccc(Cl)cc1 ZINC001704336311 1417910533 /nfs/dbraw/zinc/91/05/33/1417910533.db2.gz FWTABIWWHKTUQN-UHFFFAOYSA-N 1 0 334.851 2.586 50 0 EFAARO CC(=O)N1CCC([NH+]2CCC3(CC2)OCCc2sccc23)CC1 ZINC001704337459 1417910645 /nfs/dbraw/zinc/91/06/45/1417910645.db2.gz ZTFLXILHISKXSI-UHFFFAOYSA-N 1 0 334.485 2.623 50 0 EFAARO Cc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2c[nH]cn2)c(C)c1 ZINC001704340742 1417911930 /nfs/dbraw/zinc/91/19/30/1417911930.db2.gz SUGYEPKVXYTDRH-UHFFFAOYSA-N 1 0 328.460 2.550 50 0 EFAARO CO[C@@H]1CCC[C@@]12CCC[N@H+](Cc1cc(=O)n3cc(C)ccc3n1)C2 ZINC001704342813 1417912841 /nfs/dbraw/zinc/91/28/41/1417912841.db2.gz QIYGZGFRCNXGTL-XLIONFOSSA-N 1 0 341.455 2.784 50 0 EFAARO O=C(c1cccnc1SCCc1ccccc1)N1CCC[NH2+]CC1 ZINC001704350477 1417914436 /nfs/dbraw/zinc/91/44/36/1417914436.db2.gz AHVNTGGKCCJXAJ-UHFFFAOYSA-N 1 0 341.480 2.852 50 0 EFAARO O=C(COCc1ccccc1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC001704349668 1417914602 /nfs/dbraw/zinc/91/46/02/1417914602.db2.gz CBXGCOJBJHBDDJ-UHFFFAOYSA-N 1 0 348.512 2.633 50 0 EFAARO Cc1[nH+]c(N2CCCC2)nc(N[C@@H](c2nccn2C)C2CC2)c1C ZINC001704350948 1417914715 /nfs/dbraw/zinc/91/47/15/1417914715.db2.gz RLWSESTWTFZJCZ-OAHLLOKOSA-N 1 0 326.448 2.990 50 0 EFAARO c1ccc(COc2ccc(OCCCN3CC[NH2+]CC3)cc2)cc1 ZINC000022032678 713597000 /nfs/dbraw/zinc/59/70/00/713597000.db2.gz FNEVRORQEVMSTM-UHFFFAOYSA-N 1 0 326.440 2.940 50 0 EFAARO COc1ccccc1C[NH+]1CCC(C(=O)NCc2cccnc2)CC1 ZINC000022241701 714113025 /nfs/dbraw/zinc/11/30/25/714113025.db2.gz HYJNTJODHXQCGH-UHFFFAOYSA-N 1 0 339.439 2.619 50 0 EFAARO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccc(OCCO)c1)C2 ZINC000091548441 714496485 /nfs/dbraw/zinc/49/64/85/714496485.db2.gz BVMRPTWHRHOEMU-VQTJNVASSA-N 1 0 344.499 2.920 50 0 EFAARO c1[nH]nc(C2CCCCC2)c1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000022926637 715512321 /nfs/dbraw/zinc/51/23/21/715512321.db2.gz BWPWUVGEPLSJLD-GOSISDBHSA-N 1 0 332.492 2.754 50 0 EFAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)CCc2cnn(C)c2)cc1F ZINC000023158392 715968110 /nfs/dbraw/zinc/96/81/10/715968110.db2.gz MXCXASIJBLJXBG-UHFFFAOYSA-N 1 0 343.406 2.632 50 0 EFAARO COc1cc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)ccc1F ZINC000023374458 718118954 /nfs/dbraw/zinc/11/89/54/718118954.db2.gz JGCMMOXIXCMVNF-KRWDZBQOSA-N 1 0 336.451 2.646 50 0 EFAARO CSCCc1n[nH]c2c1C[N@H+](CCCn1nc(C)cc1C)CC2 ZINC000106708902 718487589 /nfs/dbraw/zinc/48/75/89/718487589.db2.gz SFIIMGWJCIDXSI-UHFFFAOYSA-N 1 0 333.505 2.577 50 0 EFAARO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)N(Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000019742628 719398033 /nfs/dbraw/zinc/39/80/33/719398033.db2.gz WKZYIBHOIJFENT-RVKKMQEKSA-N 1 0 334.435 2.816 50 0 EFAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1cc(=O)c3ccccc3[nH]1)C2 ZINC000019743983 719398085 /nfs/dbraw/zinc/39/80/85/719398085.db2.gz KTJONPDSIHPCEY-HNNXBMFYSA-N 1 0 336.391 2.630 50 0 EFAARO C[C@@H](CN(C)Cc1nc(Cc2cccc(F)c2)no1)C[NH+]1CCCC1 ZINC000020540929 719473422 /nfs/dbraw/zinc/47/34/22/719473422.db2.gz SFZPOSOVTMZGAA-HNNXBMFYSA-N 1 0 346.450 2.963 50 0 EFAARO O=C(c1ccc(F)cc1Cl)N1CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC000989598961 1106475553 /nfs/dbraw/zinc/47/55/53/1106475553.db2.gz CWLMGPGIEYKHIB-CYBMUJFWSA-N 1 0 340.826 2.664 50 0 EFAARO COC[C@@H](C)[N@@H+]1CCCN(C(=O)Cc2ccc3ccccc3c2)CC1 ZINC000989634199 1106497081 /nfs/dbraw/zinc/49/70/81/1106497081.db2.gz VWUDXWKLFFPSKA-QGZVFWFLSA-N 1 0 340.467 2.952 50 0 EFAARO Cn1cc(-c2ccnc(NC[C@H]3CC[N@H+](Cc4ccccc4)C3)n2)cn1 ZINC000082039418 1109772682 /nfs/dbraw/zinc/77/26/82/1109772682.db2.gz VBKIEDIWFGJWGQ-QGZVFWFLSA-N 1 0 348.454 2.811 50 0 EFAARO O=C([C@H]1CC[NH2+]C1)N(CCc1ccc(Cl)cc1)Cc1ccncc1 ZINC000097610037 219041173 /nfs/dbraw/zinc/04/11/73/219041173.db2.gz LDSSXQJCLAVNKR-KRWDZBQOSA-N 1 0 343.858 2.916 50 0 EFAARO Cc1noc(C)c1C[N@@H+](C)Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000097632181 219043006 /nfs/dbraw/zinc/04/30/06/219043006.db2.gz JXUSLEFGQPJIIY-UHFFFAOYSA-N 1 0 340.427 2.721 50 0 EFAARO Cc1nc([C@H]2CCC[N@@H+](C3CCOCC3)C2)n(-c2cccc(C)n2)n1 ZINC000097654058 219044491 /nfs/dbraw/zinc/04/44/91/219044491.db2.gz XONXNUOYFNVGPE-INIZCTEOSA-N 1 0 341.459 2.638 50 0 EFAARO O=C1C[C@@H]([NH+]2CCC(c3ccncc3)CC2)C(=O)N1Cc1ccccc1 ZINC000004707970 210254431 /nfs/dbraw/zinc/25/44/31/210254431.db2.gz AUWJFYQNDYXXKB-LJQANCHMSA-N 1 0 349.434 2.589 50 0 EFAARO CSc1ccccc1NC(=O)CCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000055042192 214266982 /nfs/dbraw/zinc/26/69/82/214266982.db2.gz RFNNSSUSTILAJC-UHFFFAOYSA-N 1 0 349.500 2.680 50 0 EFAARO CCCC(=O)Nc1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000055271249 214298866 /nfs/dbraw/zinc/29/88/66/214298866.db2.gz VUQGYKBXJRSMFX-UHFFFAOYSA-N 1 0 331.460 2.570 50 0 EFAARO Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)o1 ZINC000055281439 214300516 /nfs/dbraw/zinc/30/05/16/214300516.db2.gz CFVKRGHOMIZBND-CYBMUJFWSA-N 1 0 327.384 2.778 50 0 EFAARO CCCCc1ccc(-n2cc(C[NH2+][C@H]3CCCCNC3=O)cn2)cc1 ZINC000055308864 214305098 /nfs/dbraw/zinc/30/50/98/214305098.db2.gz ZBIDHEWXXZTZKX-IBGZPJMESA-N 1 0 340.471 2.973 50 0 EFAARO CCc1oc(C(=O)N2CCCC[C@H]2CC(N)=O)cc1C[NH+](CC)CC ZINC000055387083 214315456 /nfs/dbraw/zinc/31/54/56/214315456.db2.gz NKDDBQDQNZLUFO-HNNXBMFYSA-N 1 0 349.475 2.554 50 0 EFAARO O=C(NCc1ccc(Cl)nc1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055383935 214316072 /nfs/dbraw/zinc/31/60/72/214316072.db2.gz AZULIQLQMYZCNJ-AWEZNQCLSA-N 1 0 333.819 2.856 50 0 EFAARO COc1ccc(CCNC(=O)CC[NH+]2CCCCCCC2)cc1O ZINC000055386328 214316091 /nfs/dbraw/zinc/31/60/91/214316091.db2.gz SKKXDFLLZPRMAN-UHFFFAOYSA-N 1 0 334.460 2.716 50 0 EFAARO C[C@H](CO)C[N@H+](CCn1c(=O)oc2ccccc21)Cc1ccccc1 ZINC000055392924 214316631 /nfs/dbraw/zinc/31/66/31/214316631.db2.gz YYNWBRFGKRHIBS-INIZCTEOSA-N 1 0 340.423 2.725 50 0 EFAARO CC(C)c1nnsc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055393216 214316749 /nfs/dbraw/zinc/31/67/49/214316749.db2.gz LSAWPICOVXGXPR-ZDUSSCGKSA-N 1 0 348.472 2.783 50 0 EFAARO Cc1ccccc1CN(CC[NH+](C)C)C(=O)c1ccc2nccn2c1 ZINC000055358770 214311451 /nfs/dbraw/zinc/31/14/51/214311451.db2.gz VLJBUMZAYUBLKE-UHFFFAOYSA-N 1 0 336.439 2.847 50 0 EFAARO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)ccc1NC(=O)c1ccco1 ZINC000055413051 214321961 /nfs/dbraw/zinc/32/19/61/214321961.db2.gz WSTMWMYVSLQRPY-HNNXBMFYSA-N 1 0 341.411 2.616 50 0 EFAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000072126459 282152522 /nfs/dbraw/zinc/15/25/22/282152522.db2.gz SBDGBKGKSGDLST-MRXNPFEDSA-N 1 0 328.453 2.634 50 0 EFAARO Cc1cc(F)cc(NC(=O)NCC2([NH+]3CCN(C)CC3)CCCC2)c1 ZINC000097785179 219056803 /nfs/dbraw/zinc/05/68/03/219056803.db2.gz UGXQZPPBMYCQPI-UHFFFAOYSA-N 1 0 348.466 2.816 50 0 EFAARO CC[N@@H+](Cc1cn(CCC(N)=O)c2ccccc12)C[C@H]1CCCO1 ZINC000055576426 214331905 /nfs/dbraw/zinc/33/19/05/214331905.db2.gz OEBIBTGGSJJWHK-MRXNPFEDSA-N 1 0 329.444 2.518 50 0 EFAARO COCc1cc(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)ccc1OC ZINC000097797581 219058118 /nfs/dbraw/zinc/05/81/18/219058118.db2.gz DXBCSIGUHNHYIZ-HXUWFJFHSA-N 1 0 327.424 2.935 50 0 EFAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(COC(=O)O2)CC1 ZINC000097819438 219058748 /nfs/dbraw/zinc/05/87/48/219058748.db2.gz AMJIBFPGFWAQMF-ZDUSSCGKSA-N 1 0 333.384 2.595 50 0 EFAARO CN(C)[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000095375451 282231317 /nfs/dbraw/zinc/23/13/17/282231317.db2.gz CFRPVYVDBASUKI-SFHVURJKSA-N 1 0 333.451 2.515 50 0 EFAARO CCC[NH2+]C[C@H](O)COc1ccc(C(=O)CC)cc1COCCC ZINC000004566622 210222294 /nfs/dbraw/zinc/22/22/94/210222294.db2.gz TTZIGRYGGNHIGS-KRWDZBQOSA-N 1 0 337.460 2.945 50 0 EFAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000100570826 219102034 /nfs/dbraw/zinc/10/20/34/219102034.db2.gz HOBDKWMUZCTUHR-MRXNPFEDSA-N 1 0 344.798 2.770 50 0 EFAARO C[NH+](C)CCCNC(=O)c1ccccc1-c1n[nH]c2c1CCCC2 ZINC000004341037 210175484 /nfs/dbraw/zinc/17/54/84/210175484.db2.gz HGKPSGZLMPHHTF-UHFFFAOYSA-N 1 0 326.444 2.637 50 0 EFAARO CC[NH+](CC)Cc1cc([C@@H]2CC(=O)Nc3n[nH]cc32)ccc1OC ZINC000065396315 214890205 /nfs/dbraw/zinc/89/02/05/214890205.db2.gz WKIUCHYZXKTAJX-AWEZNQCLSA-N 1 0 328.416 2.734 50 0 EFAARO Cc1ccc(OC2(C(=O)N(C)C[C@@H]3CCCCO3)CC[NH2+]CC2)cc1 ZINC000065405130 214894855 /nfs/dbraw/zinc/89/48/55/214894855.db2.gz HIIPHNZWZYTIRX-SFHVURJKSA-N 1 0 346.471 2.524 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N2CC[C@](O)(c3ccccc3C)C2)CC1 ZINC000065403768 214894008 /nfs/dbraw/zinc/89/40/08/214894008.db2.gz FCUZKXSSYMCBGY-OAQYLSRUSA-N 1 0 344.499 2.927 50 0 EFAARO CN(C[C@@H]1Cc2ccccc2O1)c1nc(CC[NH3+])nc2ccccc21 ZINC000065505240 214937855 /nfs/dbraw/zinc/93/78/55/214937855.db2.gz ROTQTYYTANVZQV-HNNXBMFYSA-N 1 0 334.423 2.571 50 0 EFAARO CC[NH+](CC)CC(=O)Nc1ccc(I)cc1C ZINC000046438288 213799113 /nfs/dbraw/zinc/79/91/13/213799113.db2.gz PBCZGLJSJYTXJC-UHFFFAOYSA-N 1 0 346.212 2.880 50 0 EFAARO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 ZINC000004023019 210101923 /nfs/dbraw/zinc/10/19/23/210101923.db2.gz HEBNAYZDCNQROW-IQUTYRLHSA-N 1 0 327.380 2.645 50 0 biogenic EFAARO FC(F)(F)Cn1nc(CCc2ccccc2)nc1[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000102138084 219187229 /nfs/dbraw/zinc/18/72/29/219187229.db2.gz GJJMQHXCHOSKNY-NHAGDIPZSA-N 1 0 336.361 2.558 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3cccs3)C2=O)cc1 ZINC000003856245 210080953 /nfs/dbraw/zinc/08/09/53/210080953.db2.gz QPXMXFBIRQANAK-INIZCTEOSA-N 1 0 344.436 2.611 50 0 EFAARO COc1ccc(C[N@H+](C)C2CCN(C)CC2)cc1Br ZINC000003684357 210073420 /nfs/dbraw/zinc/07/34/20/210073420.db2.gz RDXYFCDWYSRNRC-UHFFFAOYSA-N 1 0 327.266 2.984 50 0 EFAARO C[C@H](NC(=O)CC[N@H+](C)Cc1[nH]nc2c1CCC2)c1ccccc1 ZINC000067513762 215156361 /nfs/dbraw/zinc/15/63/61/215156361.db2.gz WZZLMQFSYSLFHZ-AWEZNQCLSA-N 1 0 326.444 2.598 50 0 EFAARO O=C(NC[C@@H]1CCC[N@H+](C/C=C/c2ccco2)C1)c1ccncc1 ZINC000067514366 215157785 /nfs/dbraw/zinc/15/77/85/215157785.db2.gz CJUMTCLQXLZSJY-AUYOJAJCSA-N 1 0 325.412 2.830 50 0 EFAARO C[C@H]([NH3+])C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067472739 215151131 /nfs/dbraw/zinc/15/11/31/215151131.db2.gz IVAMUWJFQPUDJR-JTQLQIEISA-N 1 0 339.317 2.856 50 0 EFAARO CCOC(=O)N1CCC([N@H+](C)Cc2nc3cc(C)ccc3[nH]2)CC1 ZINC000067489541 215153010 /nfs/dbraw/zinc/15/30/10/215153010.db2.gz KDANTPPRRMHUAN-UHFFFAOYSA-N 1 0 330.432 2.924 50 0 EFAARO Cc1cccc(OC2CC[NH+](Cc3c(CO)cnc(C)c3O)CC2)c1 ZINC000067588288 215165670 /nfs/dbraw/zinc/16/56/70/215165670.db2.gz CCOFDTVUOXVLJM-UHFFFAOYSA-N 1 0 342.439 2.940 50 0 EFAARO COc1ccc(-c2nc(CN3[C@@H]4CC[C@H]3C[NH2+]C4)c(C)o2)cc1OC ZINC000067561845 215162585 /nfs/dbraw/zinc/16/25/85/215162585.db2.gz SBRAGRMOKMJUCL-GASCZTMLSA-N 1 0 343.427 2.603 50 0 EFAARO CC(C)C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(Cl)c[nH]c2=O)C1 ZINC000067563218 215163077 /nfs/dbraw/zinc/16/30/77/215163077.db2.gz UXBPGOZILLXBEY-ZDUSSCGKSA-N 1 0 339.867 2.516 50 0 EFAARO CCNC(=O)[C@H]1CC[N@H+](Cc2nc(-c3cc(F)cc(F)c3)oc2C)C1 ZINC000067562788 215163247 /nfs/dbraw/zinc/16/32/47/215163247.db2.gz IWZMCUKGBZLEGV-LBPRGKRZSA-N 1 0 349.381 2.886 50 0 EFAARO CNc1ccccc1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000067563046 215163429 /nfs/dbraw/zinc/16/34/29/215163429.db2.gz YKMAMIRJQATHJC-UHFFFAOYSA-N 1 0 338.455 2.765 50 0 EFAARO Cc1ncc(CO)c(C[NH+]2CCC([C@H](O)c3cccs3)CC2)c1O ZINC000067587500 215164527 /nfs/dbraw/zinc/16/45/27/215164527.db2.gz XZVBFNOTHXHMBI-SFHVURJKSA-N 1 0 348.468 2.595 50 0 EFAARO Cc1nc(-c2cccc(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)c2)no1 ZINC000067605474 215167208 /nfs/dbraw/zinc/16/72/08/215167208.db2.gz XVLFKAGDDZXBFI-AWEZNQCLSA-N 1 0 328.416 2.507 50 0 EFAARO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H](CCNS(C)(=O)=O)C1 ZINC000067604639 215167227 /nfs/dbraw/zinc/16/72/27/215167227.db2.gz ZBPXSLGBAJANSQ-IYICPGQYSA-N 1 0 336.501 2.741 50 0 EFAARO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2csc(-c3cnccn3)n2)n1 ZINC000067650729 215174625 /nfs/dbraw/zinc/17/46/25/215174625.db2.gz PNBIVTGCTQTZLP-LBPRGKRZSA-N 1 0 328.445 2.592 50 0 EFAARO C[C@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000067654459 215175146 /nfs/dbraw/zinc/17/51/46/215175146.db2.gz HFIYOJBZRYIVHI-HXUWFJFHSA-N 1 0 337.423 2.650 50 0 EFAARO O=C([C@H]1CCC[NH2+]1)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067641040 215171118 /nfs/dbraw/zinc/17/11/18/215171118.db2.gz IZQQPMZCALSMJC-QGZVFWFLSA-N 1 0 342.418 2.674 50 0 EFAARO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC000067674031 215179174 /nfs/dbraw/zinc/17/91/74/215179174.db2.gz ASMACTKYXPYBOV-QGZVFWFLSA-N 1 0 338.455 2.654 50 0 EFAARO CC[N@@H+]1CCO[C@@H](CCNC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC000067675472 215180412 /nfs/dbraw/zinc/18/04/12/215180412.db2.gz BHCWGISXKLRWTN-HNNXBMFYSA-N 1 0 329.444 2.625 50 0 EFAARO Cc1cc2c(c(-c3ccc(C(=O)NCC(C)C)o3)c1)O[C@@H](C[NH3+])C2 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2.879 50 0 EFAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCCCC34CC4)cnn2c1 ZINC000067691449 215186047 /nfs/dbraw/zinc/18/60/47/215186047.db2.gz KXXYFRQWRZTDAC-UHFFFAOYSA-N 1 0 341.459 2.730 50 0 EFAARO CCc1c(C)scc1C(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067692440 215187616 /nfs/dbraw/zinc/18/76/16/215187616.db2.gz HMPKFFXNCIFVGL-UHFFFAOYSA-N 1 0 349.544 2.861 50 0 EFAARO CC(C)c1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc[nH]3)C2)on1 ZINC000067755570 215202944 /nfs/dbraw/zinc/20/29/44/215202944.db2.gz XSBKROKXLKOFQN-CQSZACIVSA-N 1 0 330.432 2.768 50 0 EFAARO CCc1ncc(C(=O)N2CCC([N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000067740587 215198969 /nfs/dbraw/zinc/19/89/69/215198969.db2.gz KGUWFDHKKRZSPU-UHFFFAOYSA-N 1 0 338.455 2.776 50 0 EFAARO CC(C)(C[NH+]1CCC([C@H](O)c2cccs2)CC1)N1CCOCC1 ZINC000067739518 215199028 /nfs/dbraw/zinc/19/90/28/215199028.db2.gz LMRCHSUZGJKBNL-KRWDZBQOSA-N 1 0 338.517 2.604 50 0 EFAARO Cc1ccc(C[N@H+]2CC[C@@H](CNS(=O)(=O)C(C)C)C2)c(C)c1F ZINC000067757245 215204152 /nfs/dbraw/zinc/20/41/52/215204152.db2.gz PDIXTNFWHWNIMX-HNNXBMFYSA-N 1 0 342.480 2.592 50 0 EFAARO O=C1NC[C@H](CN2CCc3onc(-c4cccc5ccccc54)c3C2)O1 ZINC000067771776 215207789 /nfs/dbraw/zinc/20/77/89/215207789.db2.gz FCHYELOUEUXPFZ-CQSZACIVSA-N 1 0 349.390 2.961 50 0 EFAARO Cc1ccc(C(=O)NC[C@H]2CCN(Cc3ccc(Cl)nc3)C2)cn1 ZINC000067771171 215207312 /nfs/dbraw/zinc/20/73/12/215207312.db2.gz RYUKSSBFSCPVNQ-OAHLLOKOSA-N 1 0 344.846 2.690 50 0 EFAARO COc1ccc(Oc2ncccc2C(N)=O)cc1C[NH+]1CCCC1 ZINC000067785692 215212269 /nfs/dbraw/zinc/21/22/69/215212269.db2.gz VKRYMPHSNWUWEH-UHFFFAOYSA-N 1 0 327.384 2.577 50 0 EFAARO Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)Cc3ccc(O)cc3)C2)c1 ZINC000067774071 215209405 /nfs/dbraw/zinc/20/94/05/215209405.db2.gz FUHSAIXRRWRRND-LJQANCHMSA-N 1 0 338.451 2.881 50 0 EFAARO Cc1c(C[N@@H+]2CC[C@H](CNC(=O)c3cccnn3)C2)[nH]c2ccccc12 ZINC000067817398 215219979 /nfs/dbraw/zinc/21/99/79/215219979.db2.gz RVQJZVBDHSGQJQ-OAHLLOKOSA-N 1 0 349.438 2.518 50 0 EFAARO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)c3nccc4ccccc43)C2)[nH]n1 ZINC000067817093 215220031 /nfs/dbraw/zinc/22/00/31/215220031.db2.gz YRDRWVITPUQDJL-HNNXBMFYSA-N 1 0 349.438 2.518 50 0 EFAARO Nc1cccc(C(=O)NCC[C@@H]2CCC[N@H+](Cc3ccco3)C2)c1 ZINC000067817079 215220134 /nfs/dbraw/zinc/22/01/34/215220134.db2.gz KFWPLVLRRZXNIR-HNNXBMFYSA-N 1 0 327.428 2.894 50 0 EFAARO O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000067846771 215228501 /nfs/dbraw/zinc/22/85/01/215228501.db2.gz AETFKSWMWGEBIL-OAHLLOKOSA-N 1 0 333.338 2.520 50 0 EFAARO Cc1ccc(F)c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccn3)C2)c1F ZINC000067852371 215231371 /nfs/dbraw/zinc/23/13/71/215231371.db2.gz HBCNKSXLMQNGLL-AWEZNQCLSA-N 1 0 345.393 2.920 50 0 EFAARO Cc1cc(=O)oc2cc(NC(=S)NCC[NH+]3CCCCC3)ccc12 ZINC000002872883 209931750 /nfs/dbraw/zinc/93/17/50/209931750.db2.gz VPTXYPFEEUHZOA-UHFFFAOYSA-N 1 0 345.468 2.874 50 0 EFAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)Cc2noc3c2CCCC3)n1 ZINC000067886444 215241991 /nfs/dbraw/zinc/24/19/91/215241991.db2.gz SLOKNBSDPMOYDZ-CQSZACIVSA-N 1 0 341.459 2.755 50 0 EFAARO CC(C)C[C@H]1C[N@H+](Cc2cnc(N3CCCC3)nc2)CC[C@@]1(C)O ZINC000067894645 215243532 /nfs/dbraw/zinc/24/35/32/215243532.db2.gz IQBHXYQVOOADPZ-PKOBYXMFSA-N 1 0 332.492 2.696 50 0 EFAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000067895108 215243555 /nfs/dbraw/zinc/24/35/55/215243555.db2.gz FLDRICCIEUTSQD-MRXNPFEDSA-N 1 0 325.412 2.859 50 0 EFAARO CC(C)(C[NH+]1CCCCCC1)c1nc2cc(-n3cnnn3)ccc2[nH]1 ZINC000067894386 215244003 /nfs/dbraw/zinc/24/40/03/215244003.db2.gz QECUWLDRIXGDII-UHFFFAOYSA-N 1 0 339.447 2.692 50 0 EFAARO [NH3+]C[C@H]1Cc2cc(-c3ccc(C(=O)N4CCCCC4)o3)cc(F)c2O1 ZINC000067909524 215247901 /nfs/dbraw/zinc/24/79/01/215247901.db2.gz BZOFZKIQGULSGH-CQSZACIVSA-N 1 0 344.386 2.974 50 0 EFAARO Cc1nc(CC[NH3+])cc(N2CCCC[C@H]2c2nc3ccccc3[nH]2)n1 ZINC000067908951 215248985 /nfs/dbraw/zinc/24/89/85/215248985.db2.gz LKLBEIWJYGJEHQ-KRWDZBQOSA-N 1 0 336.443 2.894 50 0 EFAARO C[NH2+]CC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067947288 215255964 /nfs/dbraw/zinc/25/59/64/215255964.db2.gz VFHVUZOGFFWIOC-UHFFFAOYSA-N 1 0 339.317 2.728 50 0 EFAARO Cc1cccnc1[C@@H]([NH2+]CC(=O)Nc1nc2ccccc2[nH]1)C1CC1 ZINC000067921123 215250939 /nfs/dbraw/zinc/25/09/39/215250939.db2.gz KSEUEPCGLURWFU-SFHVURJKSA-N 1 0 335.411 2.946 50 0 EFAARO CC(C)CC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cccs2)C1=O ZINC000067947128 215256218 /nfs/dbraw/zinc/25/62/18/215256218.db2.gz GYVZNWVUMDHQEA-SFHVURJKSA-N 1 0 349.500 2.975 50 0 EFAARO Cc1ccsc1C(=O)NCC[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000067921803 215251657 /nfs/dbraw/zinc/25/16/57/215251657.db2.gz PDANHOWUPWQLEJ-INIZCTEOSA-N 1 0 349.544 2.983 50 0 EFAARO Cc1ccccc1NC(=O)CCNc1cc([C@H]2CCC[NH2+]C2)ncn1 ZINC000067921778 215252035 /nfs/dbraw/zinc/25/20/35/215252035.db2.gz XYQFFHPYLHSDGS-HNNXBMFYSA-N 1 0 339.443 2.693 50 0 EFAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3[C@H](C)CC[C@@H]3C)cnn2c1 ZINC000067934125 215252555 /nfs/dbraw/zinc/25/25/55/215252555.db2.gz OUOFDVDGTDCWRY-OKILXGFUSA-N 1 0 329.448 2.584 50 0 EFAARO CN1CCCN(Cc2cc3ccccc3[nH]2)CC12CC[NH+](C)CC2 ZINC000067935476 215254657 /nfs/dbraw/zinc/25/46/57/215254657.db2.gz PMFYTNFCALLMHE-UHFFFAOYSA-N 1 0 326.488 2.770 50 0 EFAARO Cc1cnccc1C(=O)NCC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000067974088 215263861 /nfs/dbraw/zinc/26/38/61/215263861.db2.gz MEBRJXYGNOAFFC-KRWDZBQOSA-N 1 0 338.455 2.817 50 0 EFAARO O=C(C[NH+]1CCCC1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067973743 215263898 /nfs/dbraw/zinc/26/38/98/215263898.db2.gz LLDBPYQBHQJILB-HNNXBMFYSA-N 1 0 343.254 2.989 50 0 EFAARO CCC[NH+]1CCC(Cc2noc([C@@H](N)Cc3ccccc3)n2)CC1 ZINC000067946265 215256463 /nfs/dbraw/zinc/25/64/63/215256463.db2.gz XZDRMCMCKJZUJH-KRWDZBQOSA-N 1 0 328.460 2.977 50 0 EFAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccco2)C1)c1ccncc1Cl ZINC000067955971 215258361 /nfs/dbraw/zinc/25/83/61/215258361.db2.gz QQZZIRCZCVPBAI-CYBMUJFWSA-N 1 0 333.819 2.970 50 0 EFAARO Cc1nc(C2CC[NH2+]CC2)cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)n1 ZINC000067956453 215260090 /nfs/dbraw/zinc/26/00/90/215260090.db2.gz JGPFISJTMMTDKA-UHFFFAOYSA-N 1 0 342.491 2.909 50 0 EFAARO Nc1nc2c(c(NCc3ccccc3-c3ccccc3)n1)CC[NH2+]C2 ZINC000067982940 215266625 /nfs/dbraw/zinc/26/66/25/215266625.db2.gz IHMZKJPEZRRXHT-UHFFFAOYSA-N 1 0 331.423 2.984 50 0 EFAARO Cc1nn(-c2ccccc2)c(N)c1-c1cc2c(c(F)c1)O[C@H](C[NH3+])C2 ZINC000067982838 215267554 /nfs/dbraw/zinc/26/75/54/215267554.db2.gz QKYBAHWYKARQGG-HNNXBMFYSA-N 1 0 338.386 2.831 50 0 EFAARO CC(C)[NH+](CCSc1nc2ccccc2c2nnnn21)C(C)C ZINC000040153145 213274927 /nfs/dbraw/zinc/27/49/27/213274927.db2.gz XTMKDSPMSAWGBJ-UHFFFAOYSA-N 1 0 330.461 2.883 50 0 EFAARO CCCCc1nc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)c[nH]1 ZINC000039461674 213237947 /nfs/dbraw/zinc/23/79/47/213237947.db2.gz VFTCLDBABJLQEJ-LJQANCHMSA-N 1 0 348.535 2.954 50 0 EFAARO CCOc1cc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)ccc1O ZINC000039447979 213236696 /nfs/dbraw/zinc/23/66/96/213236696.db2.gz FIJDKEZRUWTUPP-GOSISDBHSA-N 1 0 348.487 2.602 50 0 EFAARO CCCCc1nc(CN2CC[N@H+](CC=C(C)C)[C@H](CCO)C2)c[nH]1 ZINC000039442162 213236710 /nfs/dbraw/zinc/23/67/10/213236710.db2.gz VBXQRPPKBJFTBL-GOSISDBHSA-N 1 0 334.508 2.587 50 0 EFAARO O=C(COc1ccc(Cl)cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000036610927 213100710 /nfs/dbraw/zinc/10/07/10/213100710.db2.gz QNNQRLQYQAXZRW-LBPRGKRZSA-N 1 0 329.227 2.679 50 0 EFAARO CC(=O)N(Cc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000034928790 213000990 /nfs/dbraw/zinc/00/09/90/213000990.db2.gz OQSHATOJTANNNE-UHFFFAOYSA-N 1 0 328.387 2.856 50 0 EFAARO CC[C@H]1CN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)CC[NH2+]1 ZINC000071681224 215794687 /nfs/dbraw/zinc/79/46/87/215794687.db2.gz DCTDBJWPDSSRQL-AWEZNQCLSA-N 1 0 345.443 2.851 50 0 EFAARO CC(C)[C@@H]1CN(C(=O)c2cn3ccccc3n2)CCC[N@@H+]1CC1CC1 ZINC000071753318 215810227 /nfs/dbraw/zinc/81/02/27/215810227.db2.gz RUILJHUMRABNTB-SFHVURJKSA-N 1 0 340.471 2.917 50 0 EFAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccc(Cl)cc2)n1 ZINC000072115759 216011449 /nfs/dbraw/zinc/01/14/49/216011449.db2.gz MPESJZXJHRILMY-UHFFFAOYSA-N 1 0 333.823 2.712 50 0 EFAARO C[N@H+](Cc1cccnc1N)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000072128255 216019059 /nfs/dbraw/zinc/01/90/59/216019059.db2.gz GFGQRFXOZWHKOX-KRWDZBQOSA-N 1 0 328.435 2.899 50 0 EFAARO CCNc1nc(NCCNC(=O)c2ccc(C)c(C)c2)cc(C)[nH+]1 ZINC000072117345 216012194 /nfs/dbraw/zinc/01/21/94/216012194.db2.gz PPPDUPZQSOOTAA-UHFFFAOYSA-N 1 0 327.432 2.676 50 0 EFAARO CCOc1ccc(C[N@@H+]2CCC[C@@](O)(CO)CC2)c(OCC)c1C ZINC000072121810 216015223 /nfs/dbraw/zinc/01/52/23/216015223.db2.gz FXOALILHGXHFDG-IBGZPJMESA-N 1 0 337.460 2.502 50 0 EFAARO COCCN(Cc1nccs1)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072125476 216016744 /nfs/dbraw/zinc/01/67/44/216016744.db2.gz HRWJXNBQUZELCP-CQSZACIVSA-N 1 0 345.468 2.509 50 0 EFAARO O=C(c1ccc(Cl)c(F)c1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072141598 216027217 /nfs/dbraw/zinc/02/72/17/216027217.db2.gz ZHROLPWTBPDLRK-AWEZNQCLSA-N 1 0 340.826 2.540 50 0 EFAARO COc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c2ccccc2n1 ZINC000072133491 216021814 /nfs/dbraw/zinc/02/18/14/216021814.db2.gz 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O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1cccc(-c2cccnc2)c1 ZINC000072439364 216234276 /nfs/dbraw/zinc/23/42/76/216234276.db2.gz HJAOJWHBLXUFHU-UHFFFAOYSA-N 1 0 347.422 2.620 50 0 EFAARO c1cn(Cc2ccc3c(c2)CCCO3)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072447703 216237858 /nfs/dbraw/zinc/23/78/58/216237858.db2.gz JTQKOBUFANHYNU-UHFFFAOYSA-N 1 0 349.438 2.613 50 0 EFAARO CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1cccc(O)c1)CC2 ZINC000072458464 216244208 /nfs/dbraw/zinc/24/42/08/216244208.db2.gz FDQLRWGTPRCHCV-QGZVFWFLSA-N 1 0 332.444 2.543 50 0 EFAARO Cc1ncc2c(c1CNC(=O)Cc1ccccc1Cl)CC[NH2+]C2 ZINC000072458947 216244403 /nfs/dbraw/zinc/24/44/03/216244403.db2.gz NYQUCNMXIFHSBH-UHFFFAOYSA-N 1 0 329.831 2.548 50 0 EFAARO O=C([C@H](O)c1cccc(Cl)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000072473470 216249960 /nfs/dbraw/zinc/24/99/60/216249960.db2.gz RYAMFSLNIYWPJD-QGZVFWFLSA-N 1 0 336.863 2.850 50 0 EFAARO O[C@@H]1CCC[N@@H+](C2CCN(Cc3c(Cl)cncc3Cl)CC2)C1 ZINC000072473565 216250318 /nfs/dbraw/zinc/25/03/18/216250318.db2.gz 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ZINC000072478278 216256803 /nfs/dbraw/zinc/25/68/03/216256803.db2.gz OMZKGMWVCBWWQZ-CQSZACIVSA-N 1 0 348.454 2.832 50 0 EFAARO Cc1ncc2c(c1CNC(=O)CCc1ccc(F)c(F)c1)CC[NH2+]C2 ZINC000072474256 216252093 /nfs/dbraw/zinc/25/20/93/216252093.db2.gz JCQZGAKYBVFGNP-UHFFFAOYSA-N 1 0 345.393 2.563 50 0 EFAARO CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1cccc(C)n1)CC2 ZINC000072481070 216261802 /nfs/dbraw/zinc/26/18/02/216261802.db2.gz PMJMHFCJJOKZEE-QGZVFWFLSA-N 1 0 331.460 2.541 50 0 EFAARO COc1cc(Cl)ccc1C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072479798 216258452 /nfs/dbraw/zinc/25/84/52/216258452.db2.gz OXKOBTRJELKLGS-UHFFFAOYSA-N 1 0 345.830 2.628 50 0 EFAARO Cc1ccc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)cc1Cl ZINC000072480509 216260140 /nfs/dbraw/zinc/26/01/40/216260140.db2.gz ILYTURQVNXTCHA-UHFFFAOYSA-N 1 0 329.831 2.928 50 0 EFAARO O=C1C[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)CN1c1ccccc1 ZINC000072481554 216261261 /nfs/dbraw/zinc/26/12/61/216261261.db2.gz SPDYXQGTMFPTFW-QGZVFWFLSA-N 1 0 332.407 2.767 50 0 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PDFCOEKWIOYIKE-UHFFFAOYSA-N 1 0 330.428 2.800 50 0 EFAARO Cc1ccc(CN2CC[N@H+](Cc3ccccc3C)C[C@H]2CCO)o1 ZINC000022909923 212333141 /nfs/dbraw/zinc/33/31/41/212333141.db2.gz QBKLPOSQEITNNA-LJQANCHMSA-N 1 0 328.456 2.965 50 0 EFAARO CC(C)CC[N@@H+]1CCN(Cc2ccc3nsnc3c2)C[C@@H]1CCO ZINC000022852821 212329802 /nfs/dbraw/zinc/32/98/02/212329802.db2.gz MADGHSNUPLFXPL-INIZCTEOSA-N 1 0 348.516 2.606 50 0 EFAARO C[NH+]1CCN([C@H](CNC(=O)c2cccc(F)c2)c2ccsc2)CC1 ZINC000022794214 212325167 /nfs/dbraw/zinc/32/51/67/212325167.db2.gz ZVYAGLWOIJBGPF-QGZVFWFLSA-N 1 0 347.459 2.606 50 0 EFAARO Cc1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022785872 212324932 /nfs/dbraw/zinc/32/49/32/212324932.db2.gz WSZOBSUZPJGEJK-HXUWFJFHSA-N 1 0 340.467 2.553 50 0 EFAARO C[C@@H](NC(=O)C[NH+]1CCC(CCn2cccn2)CC1)c1ccccc1 ZINC000252499400 240307183 /nfs/dbraw/zinc/30/71/83/240307183.db2.gz RZWVGIBKBYKFLW-QGZVFWFLSA-N 1 0 340.471 2.863 50 0 EFAARO Cc1cc2c(cc1C[NH+]1CCC(O)(c3cccnc3)CC1)OCCO2 ZINC000214984805 241099326 /nfs/dbraw/zinc/09/93/26/241099326.db2.gz YXPRQAWWOQSMSZ-UHFFFAOYSA-N 1 0 340.423 2.645 50 0 EFAARO O=C(NCC1([NH+]2CCOCC2)CCCCCC1)c1cccn1C1CC1 ZINC000215050233 241103679 /nfs/dbraw/zinc/10/36/79/241103679.db2.gz NEFFTTYVSBFTER-UHFFFAOYSA-N 1 0 345.487 2.978 50 0 EFAARO Cc1c[nH]c(CN(C)C(=O)C[NH+]2CCC(c3ccccc3)CC2)n1 ZINC000215080091 241105773 /nfs/dbraw/zinc/10/57/73/241105773.db2.gz MDLKZVDROKWJPQ-UHFFFAOYSA-N 1 0 326.444 2.556 50 0 EFAARO c1cn2nc(N3CC[NH+](Cc4cccc5[nH]ccc54)CC3)ccc2n1 ZINC000215151179 241107079 /nfs/dbraw/zinc/10/70/79/241107079.db2.gz XVZMPPMBFVOPQN-UHFFFAOYSA-N 1 0 332.411 2.533 50 0 EFAARO CO[C@@H]1CCC[N@H+](Cc2ccc(OCC(=O)NC(C)(C)C)cc2)C1 ZINC000215185407 241110918 /nfs/dbraw/zinc/11/09/18/241110918.db2.gz YXCWCURIGUBGAX-QGZVFWFLSA-N 1 0 334.460 2.591 50 0 EFAARO Cn1c(CNC(=O)C2([NH+]3CCCC3)CCCC2)nc2ccccc21 ZINC000215221192 241113214 /nfs/dbraw/zinc/11/32/14/241113214.db2.gz HOZQGOBEWBFOJI-UHFFFAOYSA-N 1 0 326.444 2.598 50 0 EFAARO O=C(C[C@@H]1CC[NH2+]C1)N1CCc2[nH]c(-c3ccc(Cl)cc3)nc2C1 ZINC000215274480 241117094 /nfs/dbraw/zinc/11/70/94/241117094.db2.gz VMHFAHXLDSSHLB-LBPRGKRZSA-N 1 0 344.846 2.614 50 0 EFAARO Cc1cc(C)c(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c(-n2cccn2)c1 ZINC000215710237 241140546 /nfs/dbraw/zinc/14/05/46/241140546.db2.gz HNMFPFNBTREGTC-INIZCTEOSA-N 1 0 336.443 2.987 50 0 EFAARO COc1cc2c(cc1C[N@H+](C)CCc1scnc1C)OCCO2 ZINC000215727468 241140792 /nfs/dbraw/zinc/14/07/92/241140792.db2.gz YTEUEMILOJMTDM-UHFFFAOYSA-N 1 0 334.441 2.906 50 0 EFAARO COCCOC1CC[NH+](Cc2ccc(-n3cccn3)cc2C)CC1 ZINC000216144301 241167114 /nfs/dbraw/zinc/16/71/14/241167114.db2.gz JYZKSWYFELSBRX-UHFFFAOYSA-N 1 0 329.444 2.808 50 0 EFAARO Nc1nccc(C2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)n1 ZINC000216220703 241175307 /nfs/dbraw/zinc/17/53/07/241175307.db2.gz BQTGMMMQNQPXER-UHFFFAOYSA-N 1 0 334.427 2.624 50 0 EFAARO CCc1nccc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)n1 ZINC000216205900 241175371 /nfs/dbraw/zinc/17/53/71/241175371.db2.gz ZGLKJNFLXYDDHN-HXUWFJFHSA-N 1 0 336.483 2.714 50 0 EFAARO CN1CC2(CC[NH+](Cc3ccc([C@@H]4CCCCO4)o3)CC2)OC1=O ZINC000216311458 241182470 /nfs/dbraw/zinc/18/24/70/241182470.db2.gz NXYNRLRCDGLCFT-HNNXBMFYSA-N 1 0 334.416 2.938 50 0 EFAARO CO[C@H]1CC[N@H+](Cc2ccc(OCC(=O)N3CCC(C)CC3)cc2)C1 ZINC000216325471 241183357 /nfs/dbraw/zinc/18/33/57/241183357.db2.gz BBDCRXFUZSAHST-IBGZPJMESA-N 1 0 346.471 2.545 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000216510603 241199245 /nfs/dbraw/zinc/19/92/45/241199245.db2.gz LSHIYKAOYGTLHI-GOSISDBHSA-N 1 0 349.906 2.859 50 0 EFAARO COc1cc(OC)c(CN2CC[NH+](CCSC)CC2)cc1Cl ZINC000215408848 241123629 /nfs/dbraw/zinc/12/36/29/241123629.db2.gz XDZAKNJOQFPJCM-UHFFFAOYSA-N 1 0 344.908 2.838 50 0 EFAARO Cc1n[nH]c(C)c1CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000215415444 241125280 /nfs/dbraw/zinc/12/52/80/241125280.db2.gz GKFNSHHHVFLYPP-LJQANCHMSA-N 1 0 340.471 2.740 50 0 EFAARO C[C@@H]1C[N@H+](Cc2ccc(OCCCn3ccnc3)cc2)CCCO1 ZINC000215422047 241125429 /nfs/dbraw/zinc/12/54/29/241125429.db2.gz HARVWTBMMASPPH-QGZVFWFLSA-N 1 0 329.444 2.963 50 0 EFAARO O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1c[nH]nc1-c1ccc(F)cc1 ZINC000219300557 241377636 /nfs/dbraw/zinc/37/76/36/241377636.db2.gz NWOMDFLKNVWRQI-DYVFJYSZSA-N 1 0 342.418 2.706 50 0 EFAARO c1ccc(CO[C@@H]2COCC[C@H]2[NH2+]C2CSCCSC2)cc1 ZINC000219976118 241424200 /nfs/dbraw/zinc/42/42/00/241424200.db2.gz JJKNCZARNYLPNC-IAGOWNOFSA-N 1 0 339.526 2.799 50 0 EFAARO COc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccnc12 ZINC000229960625 242220632 /nfs/dbraw/zinc/22/06/32/242220632.db2.gz LMQGYMNSWIERCJ-KGLIPLIRSA-N 1 0 340.427 2.944 50 0 EFAARO COc1ccc(F)c(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c1 ZINC000020994977 212196753 /nfs/dbraw/zinc/19/67/53/212196753.db2.gz NMNBKMAXVMUBQI-KRWDZBQOSA-N 1 0 336.451 2.646 50 0 EFAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c(F)c1 ZINC000020910269 212186396 /nfs/dbraw/zinc/18/63/96/212186396.db2.gz MXLYAIRFZVNUPP-KRWDZBQOSA-N 1 0 336.451 2.646 50 0 EFAARO Cc1cc(F)ccc1NC(=O)C[N@H+](C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000244715901 243062281 /nfs/dbraw/zinc/06/22/81/243062281.db2.gz LEHFPJYIMDUABB-AWEZNQCLSA-N 1 0 349.450 2.651 50 0 EFAARO Cc1c(C(=O)N2CC([NH+]3CCCCC3)C2)c2cc(O)ccc2n1C ZINC000243885877 243027049 /nfs/dbraw/zinc/02/70/49/243027049.db2.gz ADBMTNJZPFLTRA-UHFFFAOYSA-N 1 0 327.428 2.503 50 0 EFAARO Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000243932504 243036214 /nfs/dbraw/zinc/03/62/14/243036214.db2.gz BWENVWDJQHSPIH-CYBMUJFWSA-N 1 0 346.397 2.591 50 0 EFAARO Cc1nccc(C2CC[NH+](CCC(=O)NC3CCCCC3)CC2)n1 ZINC000244574929 243040358 /nfs/dbraw/zinc/04/03/58/243040358.db2.gz CTTPFPLSNHXYCI-UHFFFAOYSA-N 1 0 330.476 2.803 50 0 EFAARO Cc1cc(N2CCCN(Cc3nnc(-c4ccco4)o3)CC2)cc[nH+]1 ZINC000244633247 243047749 /nfs/dbraw/zinc/04/77/49/243047749.db2.gz FZTAVOXQPDDBEH-UHFFFAOYSA-N 1 0 339.399 2.745 50 0 EFAARO Cc1nnc(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000244678469 243054041 /nfs/dbraw/zinc/05/40/41/243054041.db2.gz IDQDFJSUJYQXPE-MRXNPFEDSA-N 1 0 344.484 2.560 50 0 EFAARO Cc1cc2nc(CCNC(=O)C[N@@H+](C)C3CCCC3)[nH]c2cc1C ZINC000244659842 243055518 /nfs/dbraw/zinc/05/55/18/243055518.db2.gz HJUXNBKXZAAGKK-UHFFFAOYSA-N 1 0 328.460 2.713 50 0 EFAARO O=C(NC[C@@H](c1ccccc1F)[NH+]1CCCC1)[C@H]1CC[C@@H](O)CC1 ZINC000244840226 243088779 /nfs/dbraw/zinc/08/87/79/243088779.db2.gz UJDDSHNBRVTZBE-DAYGRLMNSA-N 1 0 334.435 2.630 50 0 EFAARO O=C(NC[C@H](c1ccccc1F)[NH+]1CCCC1)[C@H]1CC[C@@H](O)CC1 ZINC000244840227 243089507 /nfs/dbraw/zinc/08/95/07/243089507.db2.gz UJDDSHNBRVTZBE-RVKKMQEKSA-N 1 0 334.435 2.630 50 0 EFAARO c1cncc(-c2nnc(C[N@H+](CC3CCC3)C[C@@H]3CCCO3)o2)c1 ZINC000244874291 243092747 /nfs/dbraw/zinc/09/27/47/243092747.db2.gz WYKWXFVIAGIWNU-INIZCTEOSA-N 1 0 328.416 2.913 50 0 EFAARO CC[C@@H](NC(=O)CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H](O)C1 ZINC000244741990 243073268 /nfs/dbraw/zinc/07/32/68/243073268.db2.gz OACVUOXODWYJKO-VAMGGRTRSA-N 1 0 344.499 2.954 50 0 EFAARO CCN1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 ZINC000020756497 212170149 /nfs/dbraw/zinc/17/01/49/212170149.db2.gz ZHDOMMQABWFEMM-YAOJWGSESA-N 1 0 346.515 2.938 50 0 biogenic EFAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000020707708 212162564 /nfs/dbraw/zinc/16/25/64/212162564.db2.gz UGRVQXUDVUKHDY-MRXNPFEDSA-N 1 0 340.895 2.946 50 0 EFAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020725834 212165288 /nfs/dbraw/zinc/16/52/88/212165288.db2.gz QKKPKTGJQZUOND-INIZCTEOSA-N 1 0 326.868 2.638 50 0 EFAARO Cc1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020639142 212158793 /nfs/dbraw/zinc/15/87/93/212158793.db2.gz UIROVOQVAUEETI-HXUWFJFHSA-N 1 0 340.467 2.553 50 0 EFAARO Cn1nc2c(c1NC(=O)c1ccc([C@@H]3CCC[N@@H+]3C)s1)CCC2 ZINC000020638642 212158195 /nfs/dbraw/zinc/15/81/95/212158195.db2.gz YMETUARBPCUASG-ZDUSSCGKSA-N 1 0 330.457 2.989 50 0 EFAARO Cc1nn2cc(CNC(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)nc2s1 ZINC000020601363 212151460 /nfs/dbraw/zinc/15/14/60/212151460.db2.gz FFQKVSNOVUVZPD-NSHDSACASA-N 1 0 347.469 2.515 50 0 EFAARO COc1ccc(Br)cc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000020477030 212135530 /nfs/dbraw/zinc/13/55/30/212135530.db2.gz NXASDFLYNRFRPQ-AWEZNQCLSA-N 1 0 325.250 2.642 50 0 EFAARO OCC[C@H]1CN(Cc2ccc(O)cc2)CC[N@@H+]1CC1CCCCC1 ZINC000020205266 212110634 /nfs/dbraw/zinc/11/06/34/212110634.db2.gz AYUUIBNPGCJDQS-IBGZPJMESA-N 1 0 332.488 2.841 50 0 EFAARO COc1cc(OC)c(OC)cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000020166712 212108787 /nfs/dbraw/zinc/10/87/87/212108787.db2.gz PSJAVFARLIWSHA-MRXNPFEDSA-N 1 0 334.460 2.773 50 0 EFAARO OCC[C@H]1CN(Cc2nccs2)CC[N@@H+]1CCCc1ccccc1 ZINC000020166278 212108720 /nfs/dbraw/zinc/10/87/20/212108720.db2.gz KBIBXGPHMTTYLS-SFHVURJKSA-N 1 0 345.512 2.645 50 0 EFAARO O=C(NCc1cccnc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020100494 212100812 /nfs/dbraw/zinc/10/08/12/212100812.db2.gz MNLAIMLFXVTHHZ-UHFFFAOYSA-N 1 0 327.403 2.749 50 0 EFAARO Cc1cc(N2CCN(C(=O)CCOc3ccccc3)CC2)cc(C)[nH+]1 ZINC000077375788 216885710 /nfs/dbraw/zinc/88/57/10/216885710.db2.gz RPXZZIAATIZKPE-UHFFFAOYSA-N 1 0 339.439 2.816 50 0 EFAARO Brc1ccccc1CN1CCC([NH+]2CCOCC2)CC1 ZINC000019885746 212080173 /nfs/dbraw/zinc/08/01/73/212080173.db2.gz CGNISXONYMDEMH-UHFFFAOYSA-N 1 0 339.277 2.746 50 0 EFAARO Cc1ccc(COc2ccccc2C[NH2+]CCN2CCOCC2)cc1 ZINC000019872377 212077465 /nfs/dbraw/zinc/07/74/65/212077465.db2.gz ZCIOWRBLWIJQCV-UHFFFAOYSA-N 1 0 340.467 2.996 50 0 EFAARO O[C@@]1(C[NH+]2CCCCC2)CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000077458722 216911253 /nfs/dbraw/zinc/91/12/53/216911253.db2.gz NTODVGPNXMJBAM-OAHLLOKOSA-N 1 0 329.366 2.528 50 0 EFAARO Brc1cccc(CN2CCC([NH+]3CCOCC3)CC2)c1 ZINC000019868499 212077612 /nfs/dbraw/zinc/07/76/12/212077612.db2.gz YFQOFIJBMYVDPB-UHFFFAOYSA-N 1 0 339.277 2.746 50 0 EFAARO Cc1ncc2c(c1-c1noc(COCc3ccccc3)n1)CC[NH2+]C2 ZINC000019839571 212073843 /nfs/dbraw/zinc/07/38/43/212073843.db2.gz IAIDOESLQNQENN-UHFFFAOYSA-N 1 0 336.395 2.803 50 0 EFAARO COc1ccc(CC[NH+]2CCC(O)(c3cccnc3)CC2)cc1OC ZINC000019792676 212068061 /nfs/dbraw/zinc/06/80/61/212068061.db2.gz YYPVAYUZLXAYGB-UHFFFAOYSA-N 1 0 342.439 2.625 50 0 EFAARO COc1ccc(OCC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000019790212 212066512 /nfs/dbraw/zinc/06/65/12/212066512.db2.gz PBKHHRZNDMYTFT-UHFFFAOYSA-N 1 0 346.471 2.797 50 0 EFAARO COc1cccc(CN2CC[NH+]([C@H]3CCCC[C@H]3OC)CC2)c1OC ZINC000019788292 212066153 /nfs/dbraw/zinc/06/61/53/212066153.db2.gz GBGPSUOLCICWGQ-ZWKOTPCHSA-N 1 0 348.487 2.779 50 0 EFAARO O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000077540752 216933565 /nfs/dbraw/zinc/93/35/65/216933565.db2.gz MMVCNOOZUTZSAP-QGZVFWFLSA-N 1 0 326.843 2.902 50 0 EFAARO COc1ccc(F)c(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)c1 ZINC000019742830 212060110 /nfs/dbraw/zinc/06/01/10/212060110.db2.gz QAWPBASEYNSNAD-KRWDZBQOSA-N 1 0 338.467 2.749 50 0 EFAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000019731060 212058611 /nfs/dbraw/zinc/05/86/11/212058611.db2.gz YUXYONMCUSCGKB-OAHLLOKOSA-N 1 0 334.464 2.541 50 0 EFAARO C[NH+]1CCN([C@@H](CNC(=O)Nc2ccccc2)c2ccsc2)CC1 ZINC000019366590 212022418 /nfs/dbraw/zinc/02/24/18/212022418.db2.gz VBBXDMZOGKKIEJ-KRWDZBQOSA-N 1 0 344.484 2.858 50 0 EFAARO C[NH+](C)C1(CNC(=O)CCCc2c[nH]c3ccccc23)CCOCC1 ZINC000078707340 217106007 /nfs/dbraw/zinc/10/60/07/217106007.db2.gz RAQLUFSGRJBLDM-UHFFFAOYSA-N 1 0 343.471 2.718 50 0 EFAARO Cc1ccc(COC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)cc1 ZINC000016577999 211915178 /nfs/dbraw/zinc/91/51/78/211915178.db2.gz VPHKNLQIZJDQIK-GOSISDBHSA-N 1 0 335.488 2.886 50 0 EFAARO Cc1ccc(COC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)cc1 ZINC000016577996 211914623 /nfs/dbraw/zinc/91/46/23/211914623.db2.gz VPHKNLQIZJDQIK-SFHVURJKSA-N 1 0 335.488 2.886 50 0 EFAARO Cc1ccc(CCNC(=O)c2ccc(C)c(OCC[NH3+])c2)c(C)c1 ZINC000426402180 247275068 /nfs/dbraw/zinc/27/50/68/247275068.db2.gz ZBSQLWZLXCZUFU-UHFFFAOYSA-N 1 0 326.440 2.922 50 0 EFAARO COCCC[N@@H+]1CC[C@H](CNC(=O)c2cc3cc(F)ccc3o2)C1 ZINC000426424223 247280096 /nfs/dbraw/zinc/28/00/96/247280096.db2.gz IIDAHOAGQUCVCW-CYBMUJFWSA-N 1 0 334.391 2.660 50 0 EFAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)N1CCSCC1 ZINC000426471580 247283000 /nfs/dbraw/zinc/28/30/00/247283000.db2.gz ODLTVPDXCWDIMA-QGZVFWFLSA-N 1 0 333.501 2.972 50 0 EFAARO C[NH2+]Cc1nnc(SC[C@@H]2CCCOC2)n1-c1cccc(OC)c1 ZINC000426471346 247283102 /nfs/dbraw/zinc/28/31/02/247283102.db2.gz KZCLJTMVCGNYCQ-CYBMUJFWSA-N 1 0 348.472 2.514 50 0 EFAARO Cc1ccc2[nH]c(CNC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)nc2c1 ZINC000426492741 247286501 /nfs/dbraw/zinc/28/65/01/247286501.db2.gz DKTUXQNLDQCVDC-OAHLLOKOSA-N 1 0 341.459 2.641 50 0 EFAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000426486068 247286763 /nfs/dbraw/zinc/28/67/63/247286763.db2.gz TUGRMKWAXVTXAL-LJQANCHMSA-N 1 0 329.488 2.983 50 0 EFAARO CC[C@H](NC(=O)c1cc(Cl)ccc1OCC[NH3+])c1ccncc1 ZINC000426489803 247287817 /nfs/dbraw/zinc/28/78/17/247287817.db2.gz VSCGSQGTQJOEIC-HNNXBMFYSA-N 1 0 333.819 2.954 50 0 EFAARO CCOc1ccccc1C[N@@H+]1CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12 ZINC000426504483 247288249 /nfs/dbraw/zinc/28/82/49/247288249.db2.gz MRLRFWLCHYPZSO-YSIASYRMSA-N 1 0 349.471 2.606 50 0 EFAARO Cc1ccc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cc1OCC[NH3+] ZINC000426515831 247290021 /nfs/dbraw/zinc/29/00/21/247290021.db2.gz ZWHTZSYQKFSEPP-UHFFFAOYSA-N 1 0 344.459 2.625 50 0 EFAARO O=C(NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCSCC1 ZINC000426727383 247294190 /nfs/dbraw/zinc/29/41/90/247294190.db2.gz HWCFMFCEMFVDLQ-SFHVURJKSA-N 1 0 347.528 2.700 50 0 EFAARO C[C@@H](C[NH2+]Cc1cccnc1N(C)C)Cc1ccc2c(c1)OCO2 ZINC000012590026 211417663 /nfs/dbraw/zinc/41/76/63/211417663.db2.gz MMZGEDJNTOSLSA-CQSZACIVSA-N 1 0 327.428 2.845 50 0 EFAARO CC(C)C[NH+]1CCC([C@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC000012430354 211378660 /nfs/dbraw/zinc/37/86/60/211378660.db2.gz DTVFDXWIRVELJM-SFHVURJKSA-N 1 0 344.503 2.626 50 0 EFAARO CCCn1ncc(C[NH2+][C@H]2CC(=O)N(CC3CCCCC3)C2)c1C ZINC000012437673 211382089 /nfs/dbraw/zinc/38/20/89/211382089.db2.gz WGEIIALIAHVFKN-SFHVURJKSA-N 1 0 332.492 2.872 50 0 EFAARO O=C(CC[C@@H]1CCC[N@@H+](C2CSCCSC2)C1)NC1CC1 ZINC000012437908 211381148 /nfs/dbraw/zinc/38/11/48/211381148.db2.gz UUXTVPNMOUWNIL-ZDUSSCGKSA-N 1 0 328.547 2.606 50 0 EFAARO CCOC(=O)c1cc(C[NH2+]CCc2c[nH]c3ccc(F)cc23)on1 ZINC000012410842 211372047 /nfs/dbraw/zinc/37/20/47/211372047.db2.gz CUYZDJAUXMKNMI-UHFFFAOYSA-N 1 0 331.347 2.804 50 0 EFAARO CC[NH+](CC)CCNC(=O)c1ccc(OC)c(Br)c1 ZINC000012404326 211368876 /nfs/dbraw/zinc/36/88/76/211368876.db2.gz HOHOWDBONVHGLC-UHFFFAOYSA-N 1 0 329.238 2.529 50 0 EFAARO Cc1cccc(CN2CCC[C@](O)(C[NH+]3CCCCCC3)C2=O)c1 ZINC000012386464 211365460 /nfs/dbraw/zinc/36/54/60/211365460.db2.gz ICOCXVJQDZSWTF-FQEVSTJZSA-N 1 0 330.472 2.725 50 0 EFAARO CN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012385345 211365373 /nfs/dbraw/zinc/36/53/73/211365373.db2.gz WCXSRDLYZYTWPF-QGZVFWFLSA-N 1 0 349.519 2.502 50 0 EFAARO COc1ccc(CCN2C[C@@H]([NH2+]Cc3ccc(C)o3)CC2=O)cc1 ZINC000012385708 211365203 /nfs/dbraw/zinc/36/52/03/211365203.db2.gz ULSOEUVJFKEBGL-INIZCTEOSA-N 1 0 328.412 2.530 50 0 EFAARO CC(C)[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000012382514 211363261 /nfs/dbraw/zinc/36/32/61/211363261.db2.gz JRBSKOZQYMUXPX-UHFFFAOYSA-N 1 0 339.277 2.981 50 0 EFAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2=O)c1 ZINC000012373116 211359003 /nfs/dbraw/zinc/35/90/03/211359003.db2.gz KQHPSNWLLDSTTF-FQEVSTJZSA-N 1 0 328.456 2.920 50 0 EFAARO CSC[C@@H](C)[N@@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000012300264 211336609 /nfs/dbraw/zinc/33/66/09/211336609.db2.gz OIZGBLGBANPPHS-LLVKDONJSA-N 1 0 331.441 2.915 50 0 EFAARO C/C=C(\C)C[NH+]1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 ZINC000012279586 211333266 /nfs/dbraw/zinc/33/32/66/211333266.db2.gz NDXBCYGUCUZLDV-CRKCGEKBSA-N 1 0 331.464 2.507 50 0 EFAARO COc1cccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2cccnc2)c1 ZINC000012243766 211330139 /nfs/dbraw/zinc/33/01/39/211330139.db2.gz NBSBPMGCUQLNLV-SFHVURJKSA-N 1 0 339.439 2.761 50 0 EFAARO Cc1cc(C(=O)N(CC[NH+](C)C)c2nc3c(cccc3F)s2)no1 ZINC000012229545 211325573 /nfs/dbraw/zinc/32/55/73/211325573.db2.gz HXAHSBRETYQXIN-UHFFFAOYSA-N 1 0 348.403 2.940 50 0 EFAARO Cc1cc(C(=O)N(CC[NH+](C)C)c2nc3ccccc3s2)no1 ZINC000012229493 211325647 /nfs/dbraw/zinc/32/56/47/211325647.db2.gz FGGGMFHVYXTAKS-UHFFFAOYSA-N 1 0 330.413 2.801 50 0 EFAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2cc[nH]n2)C1 ZINC000012305743 211340260 /nfs/dbraw/zinc/34/02/60/211340260.db2.gz ZJJOJLLLZDXDRO-KRWDZBQOSA-N 1 0 342.487 2.805 50 0 EFAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3cc4ccccc4o3)C2)C1=O ZINC000012297943 211337025 /nfs/dbraw/zinc/33/70/25/211337025.db2.gz JAVCPXSBBOXIRK-FQEVSTJZSA-N 1 0 342.439 2.894 50 0 EFAARO COCC[NH2+][C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000012160280 211309254 /nfs/dbraw/zinc/30/92/54/211309254.db2.gz IYERHSQSMWVFSA-MRXNPFEDSA-N 1 0 328.460 2.842 50 0 EFAARO O=C1C[C@H]([NH2+]Cc2cccc(O)c2)CN1CCc1cccc(Cl)c1 ZINC000012075754 211286879 /nfs/dbraw/zinc/28/68/79/211286879.db2.gz XTDRRGLTGYLTPY-KRWDZBQOSA-N 1 0 344.842 2.979 50 0 EFAARO O=C(CCN1CCCCC1=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011998875 211278280 /nfs/dbraw/zinc/27/82/80/211278280.db2.gz WQAUBGYZMVBFID-SFHVURJKSA-N 1 0 349.519 2.550 50 0 EFAARO CC(C)c1cc(C(=O)N[C@H](CC[NH+](C)C)c2ccccc2)n(C)n1 ZINC000091390981 218000523 /nfs/dbraw/zinc/00/05/23/218000523.db2.gz DRMXXDAHIVKTCL-MRXNPFEDSA-N 1 0 328.460 2.966 50 0 EFAARO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 ZINC000011954357 211275015 /nfs/dbraw/zinc/27/50/15/211275015.db2.gz LSGZCNNNNMAOQL-INIZCTEOSA-N 1 0 329.444 2.688 50 0 EFAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000091411872 218002533 /nfs/dbraw/zinc/00/25/33/218002533.db2.gz SPVARHQPOAIAKF-KRWDZBQOSA-N 1 0 348.512 2.680 50 0 EFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCN2CCCC2=O)cc1C ZINC000011935439 211272724 /nfs/dbraw/zinc/27/27/24/211272724.db2.gz PDAPTOXEPCFIBP-UHFFFAOYSA-N 1 0 326.444 2.796 50 0 EFAARO [NH3+][C@H]1CN(C(=O)c2ccccc2OC(F)(F)C(F)F)C[C@@H]1C1CC1 ZINC000091426818 218004163 /nfs/dbraw/zinc/00/41/63/218004163.db2.gz YMEZTYVJMXDPML-NEPJUHHUSA-N 1 0 346.324 2.733 50 0 EFAARO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000091426064 218004434 /nfs/dbraw/zinc/00/44/34/218004434.db2.gz PNSFTIJUDAXBQU-RBUKOAKNSA-N 1 0 330.472 2.879 50 0 EFAARO COCC[C@]1(O)CC[N@H+](CC2=Cc3cccc(OC)c3OC2)C[C@H]1C ZINC000091434863 218004890 /nfs/dbraw/zinc/00/48/90/218004890.db2.gz QHYYHVPYFHBXRR-FOIQADDNSA-N 1 0 347.455 2.580 50 0 EFAARO COc1ccc(C)cc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091434529 218004906 /nfs/dbraw/zinc/00/49/06/218004906.db2.gz HVGSOHBPKKXHGB-IAGOWNOFSA-N 1 0 328.456 2.950 50 0 EFAARO O=C1CCC2(CC[NH2+]CC2)CN1C[C@H](O)c1ccc2ccccc2c1 ZINC000091451910 218007995 /nfs/dbraw/zinc/00/79/95/218007995.db2.gz CWVUJQIKABNHCV-IBGZPJMESA-N 1 0 338.451 2.865 50 0 EFAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cccc(C(F)(F)F)c1)C2 ZINC000091460837 218009791 /nfs/dbraw/zinc/00/97/91/218009791.db2.gz VICJBHAKGFNMOZ-DZGCQCFKSA-N 1 0 326.362 2.801 50 0 EFAARO Cc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)no1 ZINC000091476363 218012168 /nfs/dbraw/zinc/01/21/68/218012168.db2.gz WJVIOLCXUONXNU-IAGOWNOFSA-N 1 0 325.412 2.720 50 0 EFAARO COc1ccc(OCC2CCN(c3nc(N)[nH+]c(C)c3C)CC2)cc1 ZINC000091621270 218033011 /nfs/dbraw/zinc/03/30/11/218033011.db2.gz YJTRDXOKJDQOPE-UHFFFAOYSA-N 1 0 342.443 2.980 50 0 EFAARO CCCc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)[nH]n1 ZINC000091624572 218033210 /nfs/dbraw/zinc/03/32/10/218033210.db2.gz LOTRJQTXGZZHEN-QGZVFWFLSA-N 1 0 340.471 2.972 50 0 EFAARO CN(CCOc1ccccc1)C(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000011878945 211263239 /nfs/dbraw/zinc/26/32/39/211263239.db2.gz ZYUOPQSFZMWHDT-UHFFFAOYSA-N 1 0 338.451 2.623 50 0 EFAARO CCn1nccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091505792 218015976 /nfs/dbraw/zinc/01/59/76/218015976.db2.gz NDMAPYLSLUMWHA-ZWKOTPCHSA-N 1 0 338.455 2.640 50 0 EFAARO O=C1N(CC2CCC2)CCC[C@]1(O)C[NH2+]Cc1cccc(Cl)c1 ZINC000011879146 211262813 /nfs/dbraw/zinc/26/28/13/211262813.db2.gz STNZCYCLNRNMMV-SFHVURJKSA-N 1 0 336.863 2.583 50 0 EFAARO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000091519092 218017135 /nfs/dbraw/zinc/01/71/35/218017135.db2.gz GHOBTEKTCSTWRK-HNNXBMFYSA-N 1 0 328.464 2.572 50 0 EFAARO O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH2+]Cc1cccc(Cl)c1 ZINC000011879145 211262151 /nfs/dbraw/zinc/26/21/51/211262151.db2.gz STNZCYCLNRNMMV-GOSISDBHSA-N 1 0 336.863 2.583 50 0 EFAARO Cc1ccccc1C[NH+]1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091535443 218019004 /nfs/dbraw/zinc/01/90/04/218019004.db2.gz SVKGKIXISMDPDT-UHFFFAOYSA-N 1 0 330.472 2.582 50 0 EFAARO O=C(N[C@@H]1CC[NH2+]C1)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000091550465 218020425 /nfs/dbraw/zinc/02/04/25/218020425.db2.gz HNCAJOGPABDLNA-LLVKDONJSA-N 1 0 341.358 2.921 50 0 EFAARO COCCC[C@@]1(CO)CCC[N@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000091562960 218022980 /nfs/dbraw/zinc/02/29/80/218022980.db2.gz KFNMHZATQRCJAE-SFHVURJKSA-N 1 0 325.424 2.835 50 0 EFAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000011842037 211256067 /nfs/dbraw/zinc/25/60/67/211256067.db2.gz KJJBMLVJJODFFI-LJQANCHMSA-N 1 0 349.427 2.597 50 0 EFAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000011843739 211255757 /nfs/dbraw/zinc/25/57/57/211255757.db2.gz UPQVCFKBCDGWOL-SFHVURJKSA-N 1 0 343.496 2.851 50 0 EFAARO CC(C)CN(C)c1ccc(C(=O)NCC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000011838879 211254371 /nfs/dbraw/zinc/25/43/71/211254371.db2.gz LWKSVJWOEVVTEW-QGZVFWFLSA-N 1 0 332.492 2.778 50 0 EFAARO CCC[C@@H](C)C[N@@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000091596156 218028964 /nfs/dbraw/zinc/02/89/64/218028964.db2.gz BZMKYLJTSUZYRT-OAHLLOKOSA-N 1 0 332.492 2.941 50 0 EFAARO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000091691625 218047615 /nfs/dbraw/zinc/04/76/15/218047615.db2.gz KSWAWCLGGIVDBA-JKSUJKDBSA-N 1 0 348.443 2.575 50 0 EFAARO Cn1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccccc3s2)n1 ZINC000011695503 211239202 /nfs/dbraw/zinc/23/92/02/211239202.db2.gz GGGGFLGARWNUFI-UHFFFAOYSA-N 1 0 343.456 2.628 50 0 EFAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1ccccc1C)CC2 ZINC000091707444 218051045 /nfs/dbraw/zinc/05/10/45/218051045.db2.gz KMSRNQRJMFXRNF-UHFFFAOYSA-N 1 0 330.472 2.846 50 0 EFAARO CCCc1cc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)[nH]n1 ZINC000091707088 218051253 /nfs/dbraw/zinc/05/12/53/218051253.db2.gz IXNXQPZARWHMNH-INIZCTEOSA-N 1 0 340.471 2.890 50 0 EFAARO OCc1ccc(C[C@H]2CC[N@H+](Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000091645499 218038827 /nfs/dbraw/zinc/03/88/27/218038827.db2.gz PONJZEBJUQTEKM-GOSISDBHSA-N 1 0 325.408 2.972 50 0 EFAARO COc1ccc(F)cc1C[N@@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091656503 218040834 /nfs/dbraw/zinc/04/08/34/218040834.db2.gz COYSMPVGNNIZLM-KUHUBIRLSA-N 1 0 337.435 2.834 50 0 EFAARO Cc1cc(C)cc(C[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)c1 ZINC000091807337 218068568 /nfs/dbraw/zinc/06/85/68/218068568.db2.gz IVAZYFMQJVLSDF-UHFFFAOYSA-N 1 0 330.472 2.500 50 0 EFAARO Cc1cccc(-c2n[nH]cc2C(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)c1 ZINC000091738537 218055677 /nfs/dbraw/zinc/05/56/77/218055677.db2.gz YLAMEIKGQXZIPR-MOPGFXCFSA-N 1 0 346.434 2.952 50 0 EFAARO CCN(CCN1CC2(CC[NH2+]CC2)CCC1=O)c1cccc(C)c1 ZINC000091746415 218058314 /nfs/dbraw/zinc/05/83/14/218058314.db2.gz FHIXXXSRTVIMAC-UHFFFAOYSA-N 1 0 329.488 2.814 50 0 EFAARO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC=C(C)C)cc1O ZINC000091757757 218061810 /nfs/dbraw/zinc/06/18/10/218061810.db2.gz LLMUERKCYLTVCX-DLBZAZTESA-N 1 0 344.455 2.790 50 0 EFAARO COc1cccc([C@H]2C[N@H+](C)C[C@@H]2NC(=O)CCC(F)(F)F)c1 ZINC000091792693 218066884 /nfs/dbraw/zinc/06/68/84/218066884.db2.gz JHADYVIPWSESRL-KGLIPLIRSA-N 1 0 330.350 2.552 50 0 EFAARO CC(C)[C@@H]1C[N@H+](Cc2cc3ccccc3n(C)c2=O)C[C@H]1N(C)C ZINC000091943905 218092417 /nfs/dbraw/zinc/09/24/17/218092417.db2.gz LJLHWOZEAJYURQ-PKOBYXMFSA-N 1 0 327.472 2.557 50 0 EFAARO CCCc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCc3ccccc3C2)[nH]n1 ZINC000091966320 218097372 /nfs/dbraw/zinc/09/73/72/218097372.db2.gz JGPDRKAAKBXBJU-AWEZNQCLSA-N 1 0 326.444 2.539 50 0 EFAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1c(-c3ccccc3)nc3ncccn13)C2 ZINC000091985449 218098290 /nfs/dbraw/zinc/09/82/90/218098290.db2.gz GQWWXSWUNSFTRW-SJLPKXTDSA-N 1 0 347.466 2.922 50 0 EFAARO O=C(C1CCOCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091997279 218100453 /nfs/dbraw/zinc/10/04/53/218100453.db2.gz ZKNDMMXNKFOSEE-IEBWSBKVSA-N 1 0 328.456 2.536 50 0 EFAARO CCc1oc(C(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)cc1C[NH+]1CCCC1 ZINC000091950632 218093776 /nfs/dbraw/zinc/09/37/76/218093776.db2.gz PJLNOWSOJLVICR-VLIAUNLRSA-N 1 0 346.471 2.671 50 0 EFAARO COc1cccc([C@H]2CN(C(=O)c3ccc4cc[nH]c4c3)C[C@@H]2[NH3+])c1 ZINC000092080445 218116786 /nfs/dbraw/zinc/11/67/86/218116786.db2.gz BXZVKHNWIBYEIV-MSOLQXFVSA-N 1 0 335.407 2.743 50 0 EFAARO C[C@@H]1C[N@H+](CCOc2ccc(F)cc2)CC[C@@]1(O)C1CCOCC1 ZINC000092081605 218117248 /nfs/dbraw/zinc/11/72/48/218117248.db2.gz CVUZHLVKCQZNIK-BEFAXECRSA-N 1 0 337.435 2.704 50 0 EFAARO COc1ccc([C@H]2CN(C(=O)c3ccc4ncccc4c3)C[C@@H]2[NH3+])cc1 ZINC000092065631 218113046 /nfs/dbraw/zinc/11/30/46/218113046.db2.gz YYWOCPFIUOCECL-MOPGFXCFSA-N 1 0 347.418 2.810 50 0 EFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCn1cnc3ccccc31)C2 ZINC000092062512 218113331 /nfs/dbraw/zinc/11/33/31/218113331.db2.gz FLFWKPLBEHJJLH-IAGOWNOFSA-N 1 0 340.471 2.759 50 0 EFAARO COC(=O)C1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000010542169 211180857 /nfs/dbraw/zinc/18/08/57/211180857.db2.gz GOTJWXRWFVXPEZ-UHFFFAOYSA-N 1 0 344.455 2.698 50 0 EFAARO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccccc2F)C1 ZINC000010544121 211180354 /nfs/dbraw/zinc/18/03/54/211180354.db2.gz PQIGMTCDNGBJJV-GJZGRUSLSA-N 1 0 342.480 2.613 50 0 EFAARO COc1ccc(O[C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010541023 211180183 /nfs/dbraw/zinc/18/01/83/211180183.db2.gz ZAWZDPTUOBJVHW-INIZCTEOSA-N 1 0 334.460 2.701 50 0 EFAARO O=C(COc1ccc(Cl)cc1Cl)NCCC[NH+]1CCCC1 ZINC000010449994 211174489 /nfs/dbraw/zinc/17/44/89/211174489.db2.gz NLAQNACCRYSAAU-UHFFFAOYSA-N 1 0 331.243 2.974 50 0 EFAARO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1Cl ZINC000010279139 211159863 /nfs/dbraw/zinc/15/98/63/211159863.db2.gz BFQQDGBMRRVMMQ-UHFFFAOYSA-N 1 0 346.880 2.503 50 0 EFAARO CCOc1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111215 211148123 /nfs/dbraw/zinc/14/81/23/211148123.db2.gz QVQXVAGWWFILAB-UHFFFAOYSA-N 1 0 340.489 2.630 50 0 EFAARO Cc1cc(=O)n2c(n1)NC(NCc1ccco1)=N[C@@H]2[C@@H]1CC=CCC1 ZINC000009426317 211083006 /nfs/dbraw/zinc/08/30/06/211083006.db2.gz YWJPGDKBNKRENO-CJNGLKHVSA-N 1 0 339.399 2.571 50 0 EFAARO CCn1nc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c2ccccc21 ZINC000095352321 218286079 /nfs/dbraw/zinc/28/60/79/218286079.db2.gz CLMQLSMBTTWABD-HNNXBMFYSA-N 1 0 328.460 2.937 50 0 EFAARO CCOC(=O)c1[nH]c(C)c(C(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)c1C ZINC000095359271 218292696 /nfs/dbraw/zinc/29/26/96/218292696.db2.gz OGNHRODDODZBQT-GFCCVEGCSA-N 1 0 347.459 2.507 50 0 EFAARO O=C(NCCOCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095359451 218293565 /nfs/dbraw/zinc/29/35/65/218293565.db2.gz YEUSQWUCZHOILK-GOSISDBHSA-N 1 0 330.472 2.974 50 0 EFAARO Cc1cnc(C)c(N2CCC(c3nccn3CCC[NH+](C)C)CC2)n1 ZINC000095361950 218293900 /nfs/dbraw/zinc/29/39/00/218293900.db2.gz GTVSZYMZLITMGU-UHFFFAOYSA-N 1 0 342.491 2.626 50 0 EFAARO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000095355512 218288974 /nfs/dbraw/zinc/28/89/74/218288974.db2.gz SLEIITSWUODQPN-INIZCTEOSA-N 1 0 342.491 2.962 50 0 EFAARO CCCCc1nc(C)cc(NCCNC(=O)[C@@H]2CCCCC[N@@H+]2C)n1 ZINC000095356030 218289454 /nfs/dbraw/zinc/28/94/54/218289454.db2.gz FZGCSAWPUZXFTM-INIZCTEOSA-N 1 0 347.507 2.530 50 0 EFAARO Cc1ccc(Nc2nc(NCCC[NH+](C)C)nc3nccnc32)cc1 ZINC000009075235 211039324 /nfs/dbraw/zinc/03/93/24/211039324.db2.gz OBWLBKFLJGROEG-UHFFFAOYSA-N 1 0 337.431 2.835 50 0 EFAARO O=C(N[C@H](CO)Cc1ccccc1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095358801 218291867 /nfs/dbraw/zinc/29/18/67/218291867.db2.gz PGMBMTUNMFBLQT-IBGZPJMESA-N 1 0 344.499 2.751 50 0 EFAARO CCN(CCn1cccn1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095366468 218298942 /nfs/dbraw/zinc/29/89/42/218298942.db2.gz HJCLAJMKYNRTRS-SFHVURJKSA-N 1 0 326.444 2.512 50 0 EFAARO CCOc1ncccc1CNC(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095366523 218299180 /nfs/dbraw/zinc/29/91/80/218299180.db2.gz FMWBPZDVRIARJB-KRWDZBQOSA-N 1 0 339.439 2.877 50 0 EFAARO O=C(CCN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1)N1CCCC1 ZINC000095368999 218300949 /nfs/dbraw/zinc/30/09/49/218300949.db2.gz LKAYHNVWDKVPNZ-VQTJNVASSA-N 1 0 341.499 2.595 50 0 EFAARO Cc1nc(C)c(C)c(N(C)CC2([NH+]3CCOCC3)CCCCC2)n1 ZINC000095368826 218300960 /nfs/dbraw/zinc/30/09/60/218300960.db2.gz SNAIARJSMNEHQF-UHFFFAOYSA-N 1 0 332.492 2.873 50 0 EFAARO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095369040 218300984 /nfs/dbraw/zinc/30/09/84/218300984.db2.gz SJJYDNRUUUTQFU-CQSZACIVSA-N 1 0 332.423 2.925 50 0 EFAARO C[NH+]1CCC(n2nc(-c3cccnc3)nc2CCc2cccnc2)CC1 ZINC000095361347 218294642 /nfs/dbraw/zinc/29/46/42/218294642.db2.gz QRGQTFOWOSIZJQ-UHFFFAOYSA-N 1 0 348.454 2.787 50 0 EFAARO CCCc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)[nH]n1 ZINC000095362862 218296033 /nfs/dbraw/zinc/29/60/33/218296033.db2.gz UTZGDXLRZWKSSG-NVXWUHKLSA-N 1 0 330.476 2.699 50 0 EFAARO O=C(NCCN1CCc2ccccc21)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095363592 218296641 /nfs/dbraw/zinc/29/66/41/218296641.db2.gz ZZVJWGVQQJRONB-FQEVSTJZSA-N 1 0 349.478 2.946 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N2CCCN(c3ccccc3)CC2)CC1 ZINC000095365483 218298307 /nfs/dbraw/zinc/29/83/07/218298307.db2.gz RNGURAMFERFQSD-UHFFFAOYSA-N 1 0 329.488 2.846 50 0 EFAARO Cc1nc[nH]c1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC000095375272 218307327 /nfs/dbraw/zinc/30/73/27/218307327.db2.gz AOQOKYGMKPAQAL-QGZVFWFLSA-N 1 0 338.455 2.699 50 0 EFAARO CCCn1ccnc1CNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095375873 218308672 /nfs/dbraw/zinc/30/86/72/218308672.db2.gz QFWIYZKKCQDNMB-QGZVFWFLSA-N 1 0 326.444 2.690 50 0 EFAARO Cc1nn(CCCNC(=O)[C@@H]2CCCCC[N@H+]2C)c(C)c1Cl ZINC000095370915 218303661 /nfs/dbraw/zinc/30/36/61/218303661.db2.gz BQQWIPPFHJKPJO-AWEZNQCLSA-N 1 0 326.872 2.534 50 0 EFAARO COCCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000095371673 218303927 /nfs/dbraw/zinc/30/39/27/218303927.db2.gz VMWCKDUCWSQUOF-GOSISDBHSA-N 1 0 330.472 2.751 50 0 EFAARO CC(C)[NH+]1CCC(CC(=O)N(C)CC(=O)c2ccc(O)cc2)CC1 ZINC000095371229 218303958 /nfs/dbraw/zinc/30/39/58/218303958.db2.gz RLENYNOXDINBPP-UHFFFAOYSA-N 1 0 332.444 2.544 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000095372641 218304983 /nfs/dbraw/zinc/30/49/83/218304983.db2.gz QQYCFBBNSKPXLU-KRWDZBQOSA-N 1 0 332.492 2.731 50 0 EFAARO CCCc1cc(N2CCC([NH2+]CCc3ccncc3)CC2)nc(C)n1 ZINC000095373745 218306493 /nfs/dbraw/zinc/30/64/93/218306493.db2.gz ZRKWSCFZGHGYIW-UHFFFAOYSA-N 1 0 339.487 2.934 50 0 EFAARO CN(CCc1cnn(C)c1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095378666 218311355 /nfs/dbraw/zinc/31/13/55/218311355.db2.gz ZOJNPZHNFBJCMD-UHFFFAOYSA-N 1 0 340.471 2.721 50 0 EFAARO Cc1n[nH]c(C)c1CCCNC(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095378394 218311475 /nfs/dbraw/zinc/31/14/75/218311475.db2.gz SFXDGXDQRCXDDK-SFHVURJKSA-N 1 0 340.471 2.856 50 0 EFAARO CCCn1ccnc1CNC(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095375874 218309243 /nfs/dbraw/zinc/30/92/43/218309243.db2.gz QFWIYZKKCQDNMB-KRWDZBQOSA-N 1 0 326.444 2.690 50 0 EFAARO CCCSCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095387473 218319400 /nfs/dbraw/zinc/31/94/00/218319400.db2.gz LWGIHELJBWUTPV-DLBZAZTESA-N 1 0 333.501 2.648 50 0 EFAARO COCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095390284 218321613 /nfs/dbraw/zinc/32/16/13/218321613.db2.gz NTLRTKITWQKSKR-SFHVURJKSA-N 1 0 342.483 2.894 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)c2nncn2C2CCCC2)CC1 ZINC000095390916 218322262 /nfs/dbraw/zinc/32/22/62/218322262.db2.gz SKKWWJMGOSZKLY-AWEZNQCLSA-N 1 0 333.480 2.691 50 0 EFAARO COc1cccc([C@H]2CN(C(=O)C3CCC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095390527 218322352 /nfs/dbraw/zinc/32/23/52/218322352.db2.gz NYEHERNKUXUICS-VAMGGRTRSA-N 1 0 340.467 2.884 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1cc(C(F)(F)F)cc(C)n1)C2 ZINC000095392116 218323359 /nfs/dbraw/zinc/32/33/59/218323359.db2.gz HLPQYXCAQKCPOP-UKRRQHHQSA-N 1 0 343.393 2.956 50 0 EFAARO COc1cccc2c1OC[C@H](C[NH2+]C1CSCCSC1)C2 ZINC000095392234 218323533 /nfs/dbraw/zinc/32/35/33/218323533.db2.gz IPCJHXIDRZZFEA-LBPRGKRZSA-N 1 0 325.499 2.685 50 0 EFAARO COc1cccc(N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000095383441 218315461 /nfs/dbraw/zinc/31/54/61/218315461.db2.gz HNVXHGMQZLJHLJ-KRWDZBQOSA-N 1 0 345.487 2.608 50 0 EFAARO CC[NH+]1CCC(CC(=O)N2CCCC[C@@H]2CCn2cccn2)CC1 ZINC000095383895 218315536 /nfs/dbraw/zinc/31/55/36/218315536.db2.gz WYNJFHVHBFLXND-GOSISDBHSA-N 1 0 332.492 2.776 50 0 EFAARO CC(C)[N@@H+]1CC[C@H](Cn2ncc(N(C)Cc3ccccc3)cc2=O)C1 ZINC000095384224 218315797 /nfs/dbraw/zinc/31/57/97/218315797.db2.gz PLIZWVFPJRJORQ-SFHVURJKSA-N 1 0 340.471 2.610 50 0 EFAARO CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)[C@H]1CCCCC[N@@H+]1C ZINC000095384550 218317377 /nfs/dbraw/zinc/31/73/77/218317377.db2.gz WCZLXIWOQFHDDP-QGZVFWFLSA-N 1 0 346.450 2.967 50 0 EFAARO CCc1cnc(N)nc1NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000095392864 218324773 /nfs/dbraw/zinc/32/47/73/218324773.db2.gz YULPDOXZJFAZBV-MRXNPFEDSA-N 1 0 326.448 2.655 50 0 EFAARO CSCc1nc(CC[NH2+]C2CCN(c3ncccn3)CC2)cs1 ZINC000095511952 218421859 /nfs/dbraw/zinc/42/18/59/218421859.db2.gz UIDMNFAXPYLDTK-UHFFFAOYSA-N 1 0 349.529 2.597 50 0 EFAARO CC(C)[C@@H]1C[N@H+](Cc2cccc(Cn3cccn3)c2)C[C@H]1N(C)C ZINC000095521413 218426070 /nfs/dbraw/zinc/42/60/70/218426070.db2.gz CEUVPAANNVYZFB-VQTJNVASSA-N 1 0 326.488 2.949 50 0 EFAARO O=S(=O)(NCCC[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000007709721 210835074 /nfs/dbraw/zinc/83/50/74/210835074.db2.gz NRIAZWKFRODPIX-UHFFFAOYSA-N 1 0 332.469 2.994 50 0 EFAARO COCCN(C(=O)Nc1cc(C)c(OC)c(C)c1)C1CC[NH+](C)CC1 ZINC000096166338 218639651 /nfs/dbraw/zinc/63/96/51/218639651.db2.gz DTTYJEFPLSFVSU-UHFFFAOYSA-N 1 0 349.475 2.887 50 0 EFAARO CCN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1c[nH]nc1-c1ccccc1F ZINC000067724663 285032623 /nfs/dbraw/zinc/03/26/23/285032623.db2.gz PIWFYPAVHFSUOJ-CYBMUJFWSA-N 1 0 330.407 2.630 50 0 EFAARO CCOc1c(Br)cc(C[NH2+]C(C)(C)CO)cc1OC ZINC000005078343 210384834 /nfs/dbraw/zinc/38/48/34/210384834.db2.gz JKGXDNZLVIKKCA-UHFFFAOYSA-N 1 0 332.238 2.717 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(OC)c1 ZINC000005071498 210382673 /nfs/dbraw/zinc/38/26/73/210382673.db2.gz MGOUQYLANPAFAP-MRXNPFEDSA-N 1 0 332.444 2.538 50 0 EFAARO O=C(NC[C@H]1CCCO1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000005045730 210372342 /nfs/dbraw/zinc/37/23/42/210372342.db2.gz FAZMFTKCIPTXLK-QGZVFWFLSA-N 1 0 336.863 2.847 50 0 EFAARO CCc1ccccc1NC(=O)CSc1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000005025317 210365810 /nfs/dbraw/zinc/36/58/10/210365810.db2.gz WGOQQROQBHQWFW-ZDUSSCGKSA-N 1 0 332.429 2.787 50 0 EFAARO Cc1ccsc1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000004942979 210334922 /nfs/dbraw/zinc/33/49/22/210334922.db2.gz KZRIMNKJHSNHBN-UHFFFAOYSA-N 1 0 331.470 2.914 50 0 EFAARO CC[C@H](CO)[NH2+]Cc1ccccc1OCC(=O)Nc1ccc(C)cc1 ZINC000004868115 210308965 /nfs/dbraw/zinc/30/89/65/210308965.db2.gz YACANVFQRQJQLZ-QGZVFWFLSA-N 1 0 342.439 2.873 50 0 EFAARO CC[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1 ZINC000004839743 210294906 /nfs/dbraw/zinc/29/49/06/210294906.db2.gz YLEJSLZKODZMHG-UHFFFAOYSA-N 1 0 344.411 2.831 50 0 EFAARO CC(=O)c1cc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000097413194 219022853 /nfs/dbraw/zinc/02/28/53/219022853.db2.gz JNOQPKYYRDOUJI-KRWDZBQOSA-N 1 0 342.464 2.884 50 0 EFAARO CN1C[C@@H]([NH3+])C[C@H]1c1nc(-c2ccco2)nn1-c1ccc2c(c1)CCC2 ZINC000097447109 219025366 /nfs/dbraw/zinc/02/53/66/219025366.db2.gz PSUGCPSHTLSMHB-RDJZCZTQSA-N 1 0 349.438 2.720 50 0 EFAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCN2CCCC[C@H]2C1 ZINC000097446915 219025924 /nfs/dbraw/zinc/02/59/24/219025924.db2.gz FNYMVVUDPYOTQR-IBGZPJMESA-N 1 0 327.472 2.593 50 0 EFAARO Cc1cccc(-c2ncc(C[NH+]3CCC4(COC(=O)O4)CC3)cn2)c1 ZINC000097480081 219029353 /nfs/dbraw/zinc/02/93/53/219029353.db2.gz OAICOASGTPXJJY-UHFFFAOYSA-N 1 0 339.395 2.953 50 0 EFAARO COCC1(C(=O)NC[C@H]2CCC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000097551221 219034758 /nfs/dbraw/zinc/03/47/58/219034758.db2.gz SZEKQHWPXISLLY-LJQANCHMSA-N 1 0 344.499 2.874 50 0 EFAARO c1cnc2ccc(CN3CCCO[C@@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000097553292 219035540 /nfs/dbraw/zinc/03/55/40/219035540.db2.gz GSUWBRIWRNOSFX-IBGZPJMESA-N 1 0 325.456 2.922 50 0 EFAARO OC1(Cn2ccnc2)CC[NH+](Cc2ccc([C@@H]3CCCO3)s2)CC1 ZINC000097568986 219035754 /nfs/dbraw/zinc/03/57/54/219035754.db2.gz AADXLYNYNVTUOR-INIZCTEOSA-N 1 0 347.484 2.823 50 0 EFAARO Cc1ccsc1[C@H](CNC(=O)c1cc(C(F)(F)F)n[nH]1)[NH+](C)C ZINC000097575036 219036465 /nfs/dbraw/zinc/03/64/65/219036465.db2.gz WDZZLWZFISGVRT-JTQLQIEISA-N 1 0 346.378 2.831 50 0 EFAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)NCc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000426722728 257957076 /nfs/dbraw/zinc/95/70/76/257957076.db2.gz WXLKFTKCCSNQSJ-QKDCVEJESA-N 1 0 341.377 2.654 50 0 EFAARO Cc1nc(C)c(-c2cccc(C(=O)N3CCO[C@@H](CC[NH3+])C3)c2)s1 ZINC000426622867 257961084 /nfs/dbraw/zinc/96/10/84/257961084.db2.gz BFDLUTQYIRSBMV-INIZCTEOSA-N 1 0 345.468 2.617 50 0 EFAARO [NH3+]CCc1nnc(SC[C@H]2CCCCO2)n1-c1ccccc1F ZINC000426588841 257962326 /nfs/dbraw/zinc/96/23/26/257962326.db2.gz DRPVHAHGUCHXHH-GFCCVEGCSA-N 1 0 336.436 2.569 50 0 EFAARO Cc1ccc(OC[C@@H](C)NC(=O)c2cc(F)ccc2OCC[NH3+])cc1 ZINC000426545112 257964055 /nfs/dbraw/zinc/96/40/55/257964055.db2.gz SEGDPNDKYAHTEL-CQSZACIVSA-N 1 0 346.402 2.669 50 0 EFAARO CCc1ccccc1N1CCN(C(=O)NCC[C@H]2CCC[N@@H+]2C)CC1 ZINC000426531563 257964504 /nfs/dbraw/zinc/96/45/04/257964504.db2.gz IKZTWCNZKUJZLK-GOSISDBHSA-N 1 0 344.503 2.565 50 0 EFAARO Cc1ccc(C[N@@H+]2CCN(Cc3cccc(C)n3)C[C@H]2CCO)cc1 ZINC000036385704 258003357 /nfs/dbraw/zinc/00/33/57/258003357.db2.gz WXVRNAPILHWBAN-OAQYLSRUSA-N 1 0 339.483 2.767 50 0 EFAARO COc1ccc2[nH]c(CNC(=O)[C@@H](C)[N@H+](C)C3CCCCC3)nc2c1 ZINC000299770747 258083683 /nfs/dbraw/zinc/08/36/83/258083683.db2.gz QVYZOAUGHBIJCY-CYBMUJFWSA-N 1 0 344.459 2.841 50 0 EFAARO COc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]([NH3+])C2)cn1 ZINC000299771914 258084460 /nfs/dbraw/zinc/08/44/60/258084460.db2.gz XUCBKHQIOHZJFW-ZDUSSCGKSA-N 1 0 342.399 2.838 50 0 EFAARO COCCOCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299773383 258085423 /nfs/dbraw/zinc/08/54/23/258085423.db2.gz GMCCXRGYNSPRJF-BBWFWOEESA-N 1 0 343.427 2.926 50 0 EFAARO O=C(NCCc1nc2c(s1)CCC2)c1ccc(C[NH+]2CCCC2)o1 ZINC000299776658 258087285 /nfs/dbraw/zinc/08/72/85/258087285.db2.gz CEBADBOHMGJFKR-UHFFFAOYSA-N 1 0 345.468 2.793 50 0 EFAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3c(C)nc4ccccn43)[C@H]2C1 ZINC000299783041 258091111 /nfs/dbraw/zinc/09/11/11/258091111.db2.gz IIHMKVOONDJJNO-VDZJLULYSA-N 1 0 329.444 2.801 50 0 EFAARO O=C(c1cccc(-c2cncnc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000299782858 258091216 /nfs/dbraw/zinc/09/12/16/258091216.db2.gz UEGXTLIDVBEDMI-UHFFFAOYSA-N 1 0 336.439 2.844 50 0 EFAARO [NH3+]CCOc1cccc(CC(=O)NCCc2cccc(Cl)c2)c1 ZINC000299785251 258092347 /nfs/dbraw/zinc/09/23/47/258092347.db2.gz YLMCNLWDJNHBEN-UHFFFAOYSA-N 1 0 332.831 2.579 50 0 EFAARO CCCn1nccc1C(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000299787895 258094206 /nfs/dbraw/zinc/09/42/06/258094206.db2.gz YOHQMTAVJDPEOV-QGZVFWFLSA-N 1 0 340.471 2.821 50 0 EFAARO COCCN1C[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000299787686 258094212 /nfs/dbraw/zinc/09/42/12/258094212.db2.gz ZGJFTDACZCCZHH-CQSZACIVSA-N 1 0 344.377 2.632 50 0 EFAARO O=C(NC[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1cccn2cnnc12 ZINC000299790363 258096144 /nfs/dbraw/zinc/09/61/44/258096144.db2.gz AXHXFDZQSFJYJI-HNNXBMFYSA-N 1 0 341.459 2.504 50 0 EFAARO Cc1ccc(-c2ccc(NC(=O)NC[C@@]3(O)CC[NH2+]C3)cc2)cc1 ZINC000299790774 258096179 /nfs/dbraw/zinc/09/61/79/258096179.db2.gz CHNRDPRSKZSGNP-LJQANCHMSA-N 1 0 325.412 2.508 50 0 EFAARO CCCn1cc(NC(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000299791647 258097360 /nfs/dbraw/zinc/09/73/60/258097360.db2.gz DWMCXFSGWOUFEC-ZDUSSCGKSA-N 1 0 348.476 2.536 50 0 EFAARO CO[C@]12CC[N@H+](Cc3c[nH]nc3-c3ccccc3)[C@H]1C[C@H](O)CC2 ZINC000299793009 258097877 /nfs/dbraw/zinc/09/78/77/258097877.db2.gz INCPFBVDLVDDEQ-ZIFCJYIRSA-N 1 0 327.428 2.581 50 0 EFAARO Cc1cccc2cc(C(=O)N3CCOC[C@H](C[NH+](C)C)C3)c(C)nc12 ZINC000299792562 258098065 /nfs/dbraw/zinc/09/80/65/258098065.db2.gz GIRDIJBPNAHMAI-MRXNPFEDSA-N 1 0 341.455 2.502 50 0 EFAARO COc1c(C)cc(NC(=O)NCCCCC[NH+]2CCOCC2)cc1C ZINC000299793281 258098866 /nfs/dbraw/zinc/09/88/66/258098866.db2.gz HYFMFDDNQRXFGR-UHFFFAOYSA-N 1 0 349.475 2.936 50 0 EFAARO CO[C@]12CC[N@H+](CCc3nc4c(ccc(C)c4C)[nH]3)[C@H]1C[C@@H](O)CC2 ZINC000299795216 258099739 /nfs/dbraw/zinc/09/97/39/258099739.db2.gz KMFAZQWKAZIVTG-RIFZZMRRSA-N 1 0 343.471 2.727 50 0 EFAARO COCC1(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299795517 258099791 /nfs/dbraw/zinc/09/97/91/258099791.db2.gz ONFLRPUWZPQCJB-KSZLIROESA-N 1 0 328.456 2.755 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CC[C@]3(OC)CC[C@H](O)C[C@H]13)CCC2 ZINC000299795304 258099883 /nfs/dbraw/zinc/09/98/83/258099883.db2.gz LXTNHVQGOMSFRN-YSIASYRMSA-N 1 0 331.456 2.688 50 0 EFAARO [NH3+]CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000299796165 258100595 /nfs/dbraw/zinc/10/05/95/258100595.db2.gz MLASZTCQSZFUCB-LJQANCHMSA-N 1 0 339.439 2.715 50 0 EFAARO Cc1ncn(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000299802165 258104738 /nfs/dbraw/zinc/10/47/38/258104738.db2.gz XRWXKUQZANQDRB-LJQANCHMSA-N 1 0 340.471 2.528 50 0 EFAARO Nc1ncccc1CNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299802459 258105652 /nfs/dbraw/zinc/10/56/52/258105652.db2.gz MIWUYKLYUAYDHU-KSZLIROESA-N 1 0 336.439 2.506 50 0 EFAARO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000004552789 258051155 /nfs/dbraw/zinc/05/11/55/258051155.db2.gz KSRHAKIIHVNVOF-UHFFFAOYSA-N 1 0 332.444 2.886 50 0 EFAARO C[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CCCCC1 ZINC000007786668 258053493 /nfs/dbraw/zinc/05/34/93/258053493.db2.gz VPBBRDPYEJSPLL-UHFFFAOYSA-N 1 0 349.500 2.929 50 0 EFAARO CC[C@@H]1CN(Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC[NH2+]1 ZINC000071774798 258064008 /nfs/dbraw/zinc/06/40/08/258064008.db2.gz MVDCOTLNUUHJDD-OAHLLOKOSA-N 1 0 345.443 2.851 50 0 EFAARO Cc1nnc([C@H]2CCCN2C(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)[nH]1 ZINC000299756696 258074838 /nfs/dbraw/zinc/07/48/38/258074838.db2.gz DQGCZNHZGQLDAU-CQSZACIVSA-N 1 0 333.480 2.724 50 0 EFAARO CN(Cc1noc(C2CCCC2)n1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000299757946 258076248 /nfs/dbraw/zinc/07/62/48/258076248.db2.gz IQWSQNNJBLBYPF-UHFFFAOYSA-N 1 0 329.404 2.850 50 0 EFAARO Cc1cccc(Oc2ccccc2NC(=O)N[C@@H]2CC[NH2+]C[C@H]2O)c1 ZINC000299759762 258077437 /nfs/dbraw/zinc/07/74/37/258077437.db2.gz OWSUISNVIKYVRI-NVXWUHKLSA-N 1 0 341.411 2.632 50 0 EFAARO Cc1[nH]nc(C2CC2)c1C(=O)N[C@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000299760571 258077970 /nfs/dbraw/zinc/07/79/70/258077970.db2.gz IATNOXMFJZVLRM-CYBMUJFWSA-N 1 0 338.455 2.772 50 0 EFAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc4c(cc3C)OCO4)[C@H]2C1 ZINC000299762931 258079391 /nfs/dbraw/zinc/07/93/91/258079391.db2.gz DPOFDENFIDEKNH-AYOQOUSVSA-N 1 0 333.428 2.882 50 0 EFAARO C[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc4ccccc4c3)C2)CC1 ZINC000299768149 258082097 /nfs/dbraw/zinc/08/20/97/258082097.db2.gz GNGCFLFVIMEOJE-LJQANCHMSA-N 1 0 338.455 2.693 50 0 EFAARO Cc1ccc2c(c1)C[C@H](C(=O)NCC1CC[NH+](CC(C)C)CC1)N2 ZINC000299768452 258082654 /nfs/dbraw/zinc/08/26/54/258082654.db2.gz NTZCBFJNXXGIRT-LJQANCHMSA-N 1 0 329.488 2.816 50 0 EFAARO CN(C(=O)c1ccc(N2CC[NH+](C)CC2)cc1)C1Cc2ccccc2C1 ZINC000065505221 132810346 /nfs/dbraw/zinc/81/03/46/132810346.db2.gz SBOMNUHEQFIJCB-UHFFFAOYSA-N 1 0 349.478 2.678 50 0 EFAARO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H]4CCCC[C@H]43)C2=O)cc1 ZINC000229922555 286323760 /nfs/dbraw/zinc/32/37/60/286323760.db2.gz WWHFQRGCCRXFNB-QGTPRVQTSA-N 1 0 342.439 2.982 50 0 EFAARO CSc1ccccc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091390843 286732005 /nfs/dbraw/zinc/73/20/05/286732005.db2.gz ZJIOHEQFQCCHOX-HZPDHXFCSA-N 1 0 348.512 2.575 50 0 EFAARO CCn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)c1C ZINC000015076385 544426986 /nfs/dbraw/zinc/42/69/86/544426986.db2.gz NWSMERCEHOSFJE-HXUWFJFHSA-N 1 0 344.503 2.744 50 0 EFAARO O=C1NCC/C1=C\c1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000044126968 544444317 /nfs/dbraw/zinc/44/43/17/544444317.db2.gz XCERVDUGRFHBDO-CAPFRKAQSA-N 1 0 347.462 2.912 50 0 EFAARO Cc1cnc(C)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000277283656 273151794 /nfs/dbraw/zinc/15/17/94/273151794.db2.gz ZAGCCHPDKQMSAH-GOSISDBHSA-N 1 0 326.444 2.796 50 0 EFAARO COc1ccc(C[NH2+][C@@H]2CCCc3nc(N(C)C)ncc32)c(OC)c1 ZINC000012594570 274110829 /nfs/dbraw/zinc/11/08/29/274110829.db2.gz JLQYPPQREGANFZ-MRXNPFEDSA-N 1 0 342.443 2.727 50 0 EFAARO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H]4CCCC[C@H]43)C2=O)cc1 ZINC000239432910 274112905 /nfs/dbraw/zinc/11/29/05/274112905.db2.gz WWHFQRGCCRXFNB-OLMNPRSZSA-N 1 0 342.439 2.982 50 0 EFAARO Cc1cc(N2CC[NH+](C)CC2)n2nc(-c3ccc(Cl)cc3)nc2n1 ZINC000001556940 274706214 /nfs/dbraw/zinc/70/62/14/274706214.db2.gz NBVBJTYUHRBBTF-UHFFFAOYSA-N 1 0 342.834 2.505 50 0 in-vitro EFAARO Cn1c(CN2CCC3(C=Cc4ccccc43)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223198322 274886308 /nfs/dbraw/zinc/88/63/08/274886308.db2.gz BPMJHPAPMFWXOL-QAQDUYKDSA-N 1 0 349.482 2.580 50 0 EFAARO O=C1NC[C@@H]([NH2+]C2CCCCC2)n2nc(-c3ccc(F)cc3)cc21 ZINC000263617465 275023811 /nfs/dbraw/zinc/02/38/11/275023811.db2.gz NXQQTLBEZYTHQD-KRWDZBQOSA-N 1 0 328.391 2.854 50 0 EFAARO O=C1Nc2ccccc2NC12CC[NH+](C1CSCCSC1)CC2 ZINC000082155871 275026139 /nfs/dbraw/zinc/02/61/39/275026139.db2.gz LJMRRMJYXPPWQS-UHFFFAOYSA-N 1 0 349.525 2.734 50 0 EFAARO O=c1[nH]c2ccccc2n1C1CC[NH+](CCCc2cccnc2)CC1 ZINC000244873063 275042614 /nfs/dbraw/zinc/04/26/14/275042614.db2.gz WJLMGFNARGOQJW-UHFFFAOYSA-N 1 0 336.439 2.994 50 0 EFAARO O=c1c2cnccc2ncn1CC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032577799 275043422 /nfs/dbraw/zinc/04/34/22/275043422.db2.gz UJTVFPVULRXZGW-MRXNPFEDSA-N 1 0 326.444 2.979 50 0 EFAARO CC[NH+](CC)CCn1ncc(NCc2ccccc2)c(Cl)c1=O ZINC000005952406 276101914 /nfs/dbraw/zinc/10/19/14/276101914.db2.gz RSRJJDLCKOXEOK-UHFFFAOYSA-N 1 0 334.851 2.851 50 0 EFAARO CC1(C)CNC(=O)c2[nH]c(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)nc2C1 ZINC000095385355 276137903 /nfs/dbraw/zinc/13/79/03/276137903.db2.gz RIZQHQQUKGOHPI-DZGCQCFKSA-N 1 0 330.476 2.529 50 0 EFAARO CC[NH+](CC)CCCN1C(=O)CS[C@H]1c1ccc2c(c1)OCO2 ZINC000000182301 276324200 /nfs/dbraw/zinc/32/42/00/276324200.db2.gz QTXWWNASIXBEBM-KRWDZBQOSA-N 1 0 336.457 2.721 50 0 EFAARO C[NH2+][C@@H](C)C(=O)N1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067934118 277038094 /nfs/dbraw/zinc/03/80/94/277038094.db2.gz HFGNBTWFDGCDFW-AWEZNQCLSA-N 1 0 340.423 2.697 50 0 EFAARO COc1ccc([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC ZINC000000053694 277936161 /nfs/dbraw/zinc/93/61/61/277936161.db2.gz GFMUOHMXSGNQTF-LJQANCHMSA-N 1 0 329.396 2.956 50 0 biogenic EFAARO Cc1c(C)n(CCc2ccccc2)c2ncnc(N3CC[NH2+]CC3)c12 ZINC000006760226 278594494 /nfs/dbraw/zinc/59/44/94/278594494.db2.gz XHCCTOZXELNMHH-UHFFFAOYSA-N 1 0 335.455 2.700 50 0 EFAARO Cc1cc(C)c(-c2ccc(C(=O)NC[C@@]3(O)CC[NH2+]C3)cc2)cc1C ZINC000426387061 280379723 /nfs/dbraw/zinc/37/97/23/280379723.db2.gz INBJSGDWVPUHKF-OAQYLSRUSA-N 1 0 338.451 2.733 50 0 EFAARO CCc1cc(NCC2([NH+]3CCOCC3)CCCCC2)n2nccc2n1 ZINC000072433422 281386265 /nfs/dbraw/zinc/38/62/65/281386265.db2.gz GCRFLYJYQBOJKU-UHFFFAOYSA-N 1 0 343.475 2.739 50 0 EFAARO CN1CCN(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)CC1 ZINC000072419543 289224718 /nfs/dbraw/zinc/22/47/18/289224718.db2.gz CZLYHNORESSLOC-IBGZPJMESA-N 1 0 344.503 2.643 50 0 EFAARO CN(C)[C@@H](C(=O)NCC1([NH+]2CCCC2)CCCC1)c1ccc(F)cc1 ZINC000095377340 289273036 /nfs/dbraw/zinc/27/30/36/289273036.db2.gz ISMGZSQONABNIQ-GOSISDBHSA-N 1 0 347.478 2.953 50 0 EFAARO COc1cccc(-c2nccn2CC2([NH+](C)C)CCOCC2)c1OC ZINC000077407632 295280993 /nfs/dbraw/zinc/28/09/93/295280993.db2.gz IWNHAFKADGCBQY-UHFFFAOYSA-N 1 0 345.443 2.678 50 0 EFAARO Cc1cc(N2CCC[N@H+](Cc3ccc(O)c(C(=O)[O-])c3)CC2)cc[nH+]1 ZINC000072165841 301334820 /nfs/dbraw/zinc/33/48/20/301334820.db2.gz OHXHDTKWACTPMU-UHFFFAOYSA-N 1 0 341.411 2.506 50 0 EFAARO Cc1ccccc1[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCC1)N(C)C ZINC000095382368 302113332 /nfs/dbraw/zinc/11/33/32/302113332.db2.gz PIIQEDPTCRAOGZ-IBGZPJMESA-N 1 0 331.504 2.931 50 0 EFAARO CCC(=O)N1CCC(Nc2nc(N3CCCC3)[nH+]c(C)c2C)CC1 ZINC000534589028 448456281 /nfs/dbraw/zinc/45/62/81/448456281.db2.gz PHUVRSDISYLNNZ-UHFFFAOYSA-N 1 0 331.464 2.507 50 0 EFAARO COc1ccccc1Nc1nc(N)nc(CN2CCCCCC2)n1 ZINC000001876356 462587697 /nfs/dbraw/zinc/58/76/97/462587697.db2.gz JDXTYWIAQLDZER-UHFFFAOYSA-N 1 0 328.420 2.582 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2cccc(Cl)c2)nn1C ZINC000095476002 473211273 /nfs/dbraw/zinc/21/12/73/473211273.db2.gz YNXOUDNCMVYBNP-HNNXBMFYSA-N 1 0 346.862 2.955 50 0 EFAARO Cc1cc(C)nc(Nc2cccc(C(=O)NCCC[NH+](C)C)c2)n1 ZINC000095474533 473211939 /nfs/dbraw/zinc/21/19/39/473211939.db2.gz CBIAAVZNJONIEK-UHFFFAOYSA-N 1 0 327.432 2.519 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CCOC)c2ccccc12 ZINC000095474525 473211963 /nfs/dbraw/zinc/21/19/63/473211963.db2.gz CSEFWAAJNNJZNA-OAHLLOKOSA-N 1 0 329.444 2.502 50 0 EFAARO Cc1cc(C)nc(N2CCC([NH2+]C[C@H](O)c3cccc(F)c3)CC2)n1 ZINC000095506826 473215631 /nfs/dbraw/zinc/21/56/31/473215631.db2.gz WOBALWDXDRPRSG-SFHVURJKSA-N 1 0 344.434 2.525 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1 ZINC000095480848 473212350 /nfs/dbraw/zinc/21/23/50/473212350.db2.gz HRHUFYDCOPJHIY-MRXNPFEDSA-N 1 0 344.434 2.667 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2ncccc2Cl)C1 ZINC000095507100 473215436 /nfs/dbraw/zinc/21/54/36/473215436.db2.gz ZQHMWPZZTGLGTO-CQSZACIVSA-N 1 0 333.867 2.877 50 0 EFAARO CC(C)c1nccn1[C@H](C)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000095507234 473215569 /nfs/dbraw/zinc/21/55/69/473215569.db2.gz MDEZXBSIHHMZOG-MRXNPFEDSA-N 1 0 340.471 2.742 50 0 EFAARO CCCc1nc(C)cc(N2CCC([N@@H+]3CCC[C@H](O)CC3)CC2)n1 ZINC000095505330 473215594 /nfs/dbraw/zinc/21/55/94/473215594.db2.gz BXVLPXIFPDLKJQ-KRWDZBQOSA-N 1 0 332.492 2.553 50 0 EFAARO CCn1nc(CNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)c2ccccc21 ZINC000095508843 473217257 /nfs/dbraw/zinc/21/72/57/473217257.db2.gz NWKDFVVMOISNHD-HNNXBMFYSA-N 1 0 328.460 2.793 50 0 EFAARO COC(=O)c1ccc(NC(=O)NCC[C@@H]2CCC[N@@H+]2C)c(Cl)c1 ZINC000095516387 473217756 /nfs/dbraw/zinc/21/77/56/473217756.db2.gz MCRNMZGHOGZNGL-LBPRGKRZSA-N 1 0 339.823 2.732 50 0 EFAARO CCc1nnc(CNC(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000095512730 473218100 /nfs/dbraw/zinc/21/81/00/473218100.db2.gz FBXNEFPHEVTJOQ-UONOGXRCSA-N 1 0 336.505 2.761 50 0 EFAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CC(c2cccnc2)C1 ZINC000095522554 473218449 /nfs/dbraw/zinc/21/84/49/473218449.db2.gz IOCJDPVAMHZPKF-MRXNPFEDSA-N 1 0 325.412 2.513 50 0 EFAARO Cn1ccc2ccc(C(=O)N3CCCO[C@H](C[NH+]4CCCC4)C3)cc21 ZINC000095522334 473219328 /nfs/dbraw/zinc/21/93/28/473219328.db2.gz JUJBUUVAFUIVFI-GOSISDBHSA-N 1 0 341.455 2.505 50 0 EFAARO c1cnc(N2CCC([NH2+]Cc3cccc(N4CCCC4)c3)CC2)nc1 ZINC000095524302 473220148 /nfs/dbraw/zinc/22/01/48/473220148.db2.gz MVYZZONYMYFYTM-UHFFFAOYSA-N 1 0 337.471 2.835 50 0 EFAARO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCc2noc(C3CCCC3)n2)C1 ZINC000095522828 473220314 /nfs/dbraw/zinc/22/03/14/473220314.db2.gz ZJMJOXJVFMOZFI-HNNXBMFYSA-N 1 0 334.464 2.506 50 0 EFAARO Cc1ccc([C@@H]2CN(Cc3ccc(N(C)C)nc3)C[C@H]2[NH+](C)C)cc1 ZINC000095530174 473222435 /nfs/dbraw/zinc/22/24/35/473222435.db2.gz QHQIQTCERXLILQ-VQTJNVASSA-N 1 0 338.499 2.986 50 0 EFAARO CCC[C@@H]1CN(C(=O)c2cc(-c3ccccc3O)n[nH]2)C[C@H]1[NH+](C)C ZINC000095531346 473222552 /nfs/dbraw/zinc/22/25/52/473222552.db2.gz NZTYYRGXJMHZLG-CXAGYDPISA-N 1 0 342.443 2.585 50 0 EFAARO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1cccc3c1OCCCO3)CC2 ZINC000095958128 473230082 /nfs/dbraw/zinc/23/00/82/473230082.db2.gz WTQMSVOALUAXRN-OAHLLOKOSA-N 1 0 342.443 2.667 50 0 EFAARO COc1ccc(CC[NH2+][C@@H](CO)COc2cccc(C)c2)cc1OC ZINC000096028204 473256854 /nfs/dbraw/zinc/25/68/54/473256854.db2.gz NXEPCYASZROQQK-KRWDZBQOSA-N 1 0 345.439 2.584 50 0 EFAARO COc1ccc([C@](OC)(OCC[NH+]2CCCCC2)C(C)(C)O)cc1 ZINC000096027269 473256909 /nfs/dbraw/zinc/25/69/09/473256909.db2.gz UNUVDLHYSKGQCJ-IBGZPJMESA-N 1 0 337.460 2.768 50 0 EFAARO C[NH+](C)[C@H]1CCCCN(C(=O)c2cnc(Nc3ccccc3)nc2)C1 ZINC000082092002 473286041 /nfs/dbraw/zinc/28/60/41/473286041.db2.gz NRTVZCDKSAXLTE-KRWDZBQOSA-N 1 0 339.443 2.777 50 0 EFAARO CCC[C@@H]1CN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@H]1[NH+](C)C ZINC000082096218 473286983 /nfs/dbraw/zinc/28/69/83/473286983.db2.gz PYNGBTZEECMNHA-CZUORRHYSA-N 1 0 346.500 2.951 50 0 EFAARO O=C1CC[C@@]2(CCC[N@@H+](C3CCCC3)C2)CN1CCc1c[nH]cn1 ZINC000082106116 473289639 /nfs/dbraw/zinc/28/96/39/473289639.db2.gz KARKCHUJDQRTLA-LJQANCHMSA-N 1 0 330.476 2.599 50 0 EFAARO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)s1 ZINC000082109162 473290922 /nfs/dbraw/zinc/29/09/22/473290922.db2.gz SQBJEEDNRLQFKW-GOSISDBHSA-N 1 0 336.501 2.644 50 0 EFAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)N1CCCC1 ZINC000082120923 473291726 /nfs/dbraw/zinc/29/17/26/473291726.db2.gz GUUVVECNNSRWMG-UHFFFAOYSA-N 1 0 345.491 2.727 50 0 EFAARO Cc1ccc2c(c1)c(C[NH2+][C@H]1CCOC3(CCOCC3)C1)nn2C ZINC000082137610 473294589 /nfs/dbraw/zinc/29/45/89/473294589.db2.gz BCBNKGXPHFZZDZ-HNNXBMFYSA-N 1 0 329.444 2.700 50 0 EFAARO O=C(NCc1cc2n(n1)CCC[N@H+](C[C@H]1CC=CCC1)C2)C1CCC1 ZINC000082136705 473294761 /nfs/dbraw/zinc/29/47/61/473294761.db2.gz VXHCSNIHEAZTBR-INIZCTEOSA-N 1 0 342.487 2.861 50 0 EFAARO C[NH+](C)C1(Cn2ccnc2-c2ccc(-c3cc[nH]n3)o2)CCOCC1 ZINC000082138489 473296552 /nfs/dbraw/zinc/29/65/52/473296552.db2.gz JLLOJYYSVSJXPA-UHFFFAOYSA-N 1 0 341.415 2.644 50 0 EFAARO CSc1nnc(CC2CC[NH+](Cc3cccc(C)n3)CC2)n1C ZINC000082170492 473297555 /nfs/dbraw/zinc/29/75/55/473297555.db2.gz FYNPOLMBSLGVJT-UHFFFAOYSA-N 1 0 331.489 2.695 50 0 EFAARO Cc1cc2cc(NC(=O)NCC[N@@H+]3CCC[C@@H](CO)C3)ccc2o1 ZINC000096132045 473309912 /nfs/dbraw/zinc/30/99/12/473309912.db2.gz FHPIXTOQCHQMTB-CQSZACIVSA-N 1 0 331.416 2.567 50 0 EFAARO C[C@H](c1nc(-c2ccncc2)nn1CCO)[N@H+](C)C1CCCCC1 ZINC000096148096 473314972 /nfs/dbraw/zinc/31/49/72/473314972.db2.gz KUMQISDHIYILNR-CQSZACIVSA-N 1 0 329.448 2.658 50 0 EFAARO O=C(NC[C@H]1COc2ccccc2C1)C1([NH+]2CCCC2)CCCC1 ZINC000096151144 473315778 /nfs/dbraw/zinc/31/57/78/473315778.db2.gz DPDSVUFNTNZHHM-INIZCTEOSA-N 1 0 328.456 2.763 50 0 EFAARO C[C@@H](Cc1nc(CC2CC[NH+](C)CC2)nn1CCO)c1ccccc1 ZINC000096161849 473319188 /nfs/dbraw/zinc/31/91/88/473319188.db2.gz CGPYLTPTWJBRIH-INIZCTEOSA-N 1 0 342.487 2.501 50 0 EFAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1n[nH]c2c1CCCC2 ZINC000096163465 473320879 /nfs/dbraw/zinc/32/08/79/473320879.db2.gz AJTAPRYLAQKSQM-INIZCTEOSA-N 1 0 338.455 2.508 50 0 EFAARO O=C1C[C@H]([NH2+]C2CCCC2)C(=O)N1c1ccc(Br)cc1 ZINC000000093224 471321404 /nfs/dbraw/zinc/32/14/04/471321404.db2.gz MZYISCUOSLSQRH-ZDUSSCGKSA-N 1 0 337.217 2.613 50 0 EFAARO O=C1C[C@H]([NH2+]CCc2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000000096236 471323184 /nfs/dbraw/zinc/32/31/84/471323184.db2.gz QQPSIMCQRQXJSW-INIZCTEOSA-N 1 0 328.799 2.804 50 0 EFAARO COc1ccc(C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000141336 471328326 /nfs/dbraw/zinc/32/83/26/471328326.db2.gz QIPXDNBRUUTWRN-UHFFFAOYSA-N 1 0 340.489 2.591 50 0 EFAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000000178136 471330904 /nfs/dbraw/zinc/33/09/04/471330904.db2.gz GOPBKGWGUGTQSQ-UHFFFAOYSA-N 1 0 348.443 2.607 50 0 EFAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000000178151 471331925 /nfs/dbraw/zinc/33/19/25/471331925.db2.gz XVILRDKHULNENT-INIZCTEOSA-N 1 0 332.444 2.907 50 0 EFAARO O=C(c1ccco1)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000000207605 471334856 /nfs/dbraw/zinc/33/48/56/471334856.db2.gz SWJPXUHCJSLGLT-UHFFFAOYSA-N 1 0 339.439 2.706 50 0 EFAARO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000000212301 471336069 /nfs/dbraw/zinc/33/60/69/471336069.db2.gz ITOUDDOPLAMPIN-MRXNPFEDSA-N 1 0 346.471 2.928 50 0 EFAARO O=C(NCc1cccnc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000000236072 471339215 /nfs/dbraw/zinc/33/92/15/471339215.db2.gz NGGJTIVODKWETK-UHFFFAOYSA-N 1 0 327.403 2.749 50 0 EFAARO COc1cccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000000256954 471341281 /nfs/dbraw/zinc/34/12/81/471341281.db2.gz RKCXQHBLFWWRPA-UHFFFAOYSA-N 1 0 339.439 2.846 50 0 EFAARO O=C1C[C@@H]([NH2+]CCc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000000317910 471347311 /nfs/dbraw/zinc/34/73/11/471347311.db2.gz BDFJEVSZDGLBGP-MRXNPFEDSA-N 1 0 328.799 2.804 50 0 EFAARO CN(C)C(=O)Oc1cccc(OCc2n(C)c3ccccc3[n+]2C)c1 ZINC000000387383 471353887 /nfs/dbraw/zinc/35/38/87/471353887.db2.gz JBRPFVIFLOTNGV-UHFFFAOYSA-N 1 0 340.403 2.642 50 0 EFAARO COc1ccc([C@]2(C)N(O)[C@@H](C)C(c3ccccc3)[N+]2=O)cc1OC ZINC000000450368 471361674 /nfs/dbraw/zinc/36/16/74/471361674.db2.gz HLBMHPXRVPUYOK-ORAYPTAESA-N 1 0 342.395 2.969 50 0 EFAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cccnc2Cl)CC1 ZINC000001401302 471389911 /nfs/dbraw/zinc/38/99/11/471389911.db2.gz IEMJYKJLALJDEA-UHFFFAOYSA-N 1 0 330.819 2.739 50 0 EFAARO CCCCOC(=O)Cn1c2ccccc2n(CC[NH+](CC)CC)c1=N ZINC000001761538 471397726 /nfs/dbraw/zinc/39/77/26/471397726.db2.gz AIFVERIOCINDRO-UHFFFAOYSA-N 1 0 346.475 2.607 50 0 EFAARO COC(=O)c1ccc(OCCN2c3ccccc3N3CC[NH+]=C23)cc1 ZINC000002196523 471402325 /nfs/dbraw/zinc/40/23/25/471402325.db2.gz UTHFCVQFVCGSQS-UHFFFAOYSA-N 1 0 337.379 2.548 50 0 EFAARO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)C[NH+]1CCC(C)CC1 ZINC000002450380 471408544 /nfs/dbraw/zinc/40/85/44/471408544.db2.gz UEEGODAISVYIAY-UHFFFAOYSA-N 1 0 343.427 2.933 50 0 EFAARO OCCC[NH2+]C[C@@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000002495418 471410101 /nfs/dbraw/zinc/41/01/01/471410101.db2.gz WTKGATGXKIDLBE-CQSZACIVSA-N 1 0 330.453 2.622 50 0 EFAARO CN(C(=O)OCc1ccccc1)[C@]1(C[NH+]2CCCC2)CCCN(C)C1 ZINC000002580983 471411118 /nfs/dbraw/zinc/41/11/18/471411118.db2.gz OUPWYLQJXVISKC-HXUWFJFHSA-N 1 0 345.487 2.815 50 0 EFAARO C[C@H]([NH2+]C[C@H](O)COC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000002686939 471416153 /nfs/dbraw/zinc/41/61/53/471416153.db2.gz FCYDSJVNZCQEOT-SZMVWBNQSA-N 1 0 343.423 2.555 50 0 EFAARO C[NH+]1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000002872683 471426160 /nfs/dbraw/zinc/42/61/60/471426160.db2.gz UQMBRZFUWYTMQL-UHFFFAOYSA-N 1 0 331.641 2.927 50 0 EFAARO CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000003811327 471456115 /nfs/dbraw/zinc/45/61/15/471456115.db2.gz JOAHPSVPXZTVEP-YXJHDRRASA-N 1 0 340.471 2.932 50 0 in-man EFAARO COC(=O)[C@@H]1C[C@@]23CCC[N@@H+]4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@H]43 ZINC000004000092 471456453 /nfs/dbraw/zinc/45/64/53/471456453.db2.gz IYLRRIUNGGQRTN-FHKHNKIZSA-N 1 0 338.451 2.930 50 0 EFAARO CCOc1cc(C(=O)NCCC[NH+](C)C)cc(OCC)c1OCC ZINC000004141731 471460083 /nfs/dbraw/zinc/46/00/83/471460083.db2.gz GEGWYHYVJKKBFZ-UHFFFAOYSA-N 1 0 338.448 2.564 50 0 EFAARO c1nnc2c(N3CC[NH+](C4CCCCC4)CC3)nc3ccccc3n12 ZINC000004709814 471472811 /nfs/dbraw/zinc/47/28/11/471472811.db2.gz JXXSVCJNNKYRGJ-UHFFFAOYSA-N 1 0 336.443 2.732 50 0 EFAARO COc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000004758798 471473821 /nfs/dbraw/zinc/47/38/21/471473821.db2.gz SCHIXFQIKWKRIF-UHFFFAOYSA-N 1 0 325.412 2.699 50 0 EFAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1OC ZINC000005676196 471516169 /nfs/dbraw/zinc/51/61/69/471516169.db2.gz ZXOSXPSHDLWVMJ-UHFFFAOYSA-N 1 0 332.444 2.538 50 0 EFAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000006631928 471555421 /nfs/dbraw/zinc/55/54/21/471555421.db2.gz VLUYLZHWOWYECW-CQSZACIVSA-N 1 0 334.460 2.831 50 0 EFAARO CC[C@@H](O)C[NH2+]C1CCN(c2nc(C)c3cc(C)ccc3n2)CC1 ZINC000012157405 471766142 /nfs/dbraw/zinc/76/61/42/471766142.db2.gz YDHQCFVXDBGAQR-MRXNPFEDSA-N 1 0 328.460 2.576 50 0 EFAARO CN(C(=O)c1c[nH]cn1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012446019 471776500 /nfs/dbraw/zinc/77/65/00/471776500.db2.gz KEZTUKMDFLWTLF-QGZVFWFLSA-N 1 0 326.444 2.579 50 0 EFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012576114 471782895 /nfs/dbraw/zinc/78/28/95/471782895.db2.gz VVDAWQVNCQCVMB-SFHVURJKSA-N 1 0 341.499 2.642 50 0 EFAARO C[C@H](C[NH2+]Cc1cccnc1N(C)C)Cc1ccc2c(c1)OCO2 ZINC000012590032 471783412 /nfs/dbraw/zinc/78/34/12/471783412.db2.gz MMZGEDJNTOSLSA-AWEZNQCLSA-N 1 0 327.428 2.845 50 0 EFAARO O=C1N(CC2CC2)CCC[C@]1(O)C[NH2+]Cc1ccc2sccc2c1 ZINC000012591660 471783775 /nfs/dbraw/zinc/78/37/75/471783775.db2.gz RRSLCQMEKSJOID-IBGZPJMESA-N 1 0 344.480 2.754 50 0 EFAARO Cc1ccccc1-n1cc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cn1 ZINC000012594179 471784803 /nfs/dbraw/zinc/78/48/03/471784803.db2.gz BGLQEDPAFGZRAV-SFHVURJKSA-N 1 0 348.454 2.729 50 0 EFAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)C2CCOCC2)C1 ZINC000012594931 471785141 /nfs/dbraw/zinc/78/51/41/471785141.db2.gz SBCAWARJSFCZSP-LJQANCHMSA-N 1 0 344.499 2.826 50 0 EFAARO Cc1ccc(C(=O)N2CCC[C@H](N(C)CCC[NH+](C)C)C2)cc1C ZINC000012702072 471789982 /nfs/dbraw/zinc/78/99/82/471789982.db2.gz IKYJZKGZHFYMTM-IBGZPJMESA-N 1 0 331.504 2.792 50 0 EFAARO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000013646213 471836062 /nfs/dbraw/zinc/83/60/62/471836062.db2.gz IMDXZELLAHADLO-HNNXBMFYSA-N 1 0 328.453 2.759 50 0 EFAARO COc1cccc(CCc2ccccc2OC[C@@H](O)C[NH+](C)C)c1 ZINC000013890091 471845050 /nfs/dbraw/zinc/84/50/50/471845050.db2.gz VNRNJNRVACIMAP-SFHVURJKSA-N 1 0 329.440 2.782 50 0 EFAARO O=C(CC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000014964018 471883259 /nfs/dbraw/zinc/88/32/59/471883259.db2.gz ZCLVGAPMPJWYCJ-IBGZPJMESA-N 1 0 330.472 2.580 50 0 EFAARO CCCc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cn1 ZINC000015062037 471888226 /nfs/dbraw/zinc/88/82/26/471888226.db2.gz AYQCCMFBLSGTNG-HXUWFJFHSA-N 1 0 342.487 2.654 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1coc(COc2cccc(F)c2)n1 ZINC000015079142 471888732 /nfs/dbraw/zinc/88/87/32/471888732.db2.gz XCXRAAWVQPKDKR-CQSZACIVSA-N 1 0 347.390 2.607 50 0 EFAARO CCN1CCC([NH2+][C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)CC1 ZINC000015077863 471889465 /nfs/dbraw/zinc/88/94/65/471889465.db2.gz DCSPKNSTSMPOQD-SFHVURJKSA-N 1 0 349.906 2.557 50 0 EFAARO O=C(COc1ccc(F)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000015831624 471918355 /nfs/dbraw/zinc/91/83/55/471918355.db2.gz OUXQMOVVLSSSFK-MRXNPFEDSA-N 1 0 332.375 2.751 50 0 EFAARO COc1ccccc1OCC(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000015831514 471919121 /nfs/dbraw/zinc/91/91/21/471919121.db2.gz IMWZQFQAQFQFGN-QGZVFWFLSA-N 1 0 346.471 2.941 50 0 EFAARO C[NH+]1CCN(c2ccc([C@@H](O)c3ccc(Cl)cc3)cc2N)CC1 ZINC000016651789 471947010 /nfs/dbraw/zinc/94/70/10/471947010.db2.gz WDKQMONFNDCHNZ-SFHVURJKSA-N 1 0 331.847 2.756 50 0 EFAARO Cc1ccc(N2CC[NH+](C[C@H](O)COC3CCCCC3)CC2)cc1 ZINC000019878538 471986106 /nfs/dbraw/zinc/98/61/06/471986106.db2.gz UXUFAUJVKULPJG-IBGZPJMESA-N 1 0 332.488 2.827 50 0 EFAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1)C1CCOCC1 ZINC000020450989 471989138 /nfs/dbraw/zinc/98/91/38/471989138.db2.gz GISSZOYIZIRXLH-SFHVURJKSA-N 1 0 334.435 2.896 50 0 EFAARO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020513068 471991087 /nfs/dbraw/zinc/99/10/87/471991087.db2.gz HLACUMSRMWOVTE-IBGZPJMESA-N 1 0 344.430 2.696 50 0 EFAARO C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000020539976 471991613 /nfs/dbraw/zinc/99/16/13/471991613.db2.gz CUJBWEPOFJDTJS-INIZCTEOSA-N 1 0 333.451 2.596 50 0 EFAARO CC[C@@H]1CCCC[N@@H+]1CCCn1c(=O)c2cccnc2[nH]c1=S ZINC000020618231 471992513 /nfs/dbraw/zinc/99/25/13/471992513.db2.gz LFDSZBZPFOTAFO-CYBMUJFWSA-N 1 0 332.473 2.735 50 0 EFAARO CC[NH+]1CCN(CC(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000022943666 472023636 /nfs/dbraw/zinc/02/36/36/472023636.db2.gz PAODFPCGRKFSDN-MRXNPFEDSA-N 1 0 325.456 2.655 50 0 EFAARO CCn1ncc(C[N@@H+]2CC[C@H](CNC(=O)c3ccsc3)C2)c1C ZINC000067641732 472063538 /nfs/dbraw/zinc/06/35/38/472063538.db2.gz PUPLJVYJTWXTOS-CQSZACIVSA-N 1 0 332.473 2.525 50 0 EFAARO CCN1CC[NH+](C2(CNC(=O)c3ccc(F)cc3)CCCCC2)CC1 ZINC000028293535 472221052 /nfs/dbraw/zinc/22/10/52/472221052.db2.gz HMOQGXUNPZBNJS-UHFFFAOYSA-N 1 0 347.478 2.896 50 0 EFAARO Cc1nc(-n2cccc2)cc(NCCNC(=O)c2ccccc2F)[nH+]1 ZINC000085472126 472252426 /nfs/dbraw/zinc/25/24/26/472252426.db2.gz UIMAGVCEJRBVAN-UHFFFAOYSA-N 1 0 339.374 2.557 50 0 EFAARO FC(F)(F)c1cc(I)c2c(c1)C[NH2+]CC2 ZINC000044136850 472285516 /nfs/dbraw/zinc/28/55/16/472285516.db2.gz ZBBFKOOGEYPQNO-UHFFFAOYSA-N 1 0 327.087 2.956 50 0 EFAARO CC[NH+](CC)CCN1c2ccccc2[C@@](NC)(c2ccccc2)C1=O ZINC000044124860 472285084 /nfs/dbraw/zinc/28/50/84/472285084.db2.gz HKMPSYBPCYIFAU-NRFANRHFSA-N 1 0 337.467 2.838 50 0 EFAARO Cn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000069454080 472347721 /nfs/dbraw/zinc/34/77/21/472347721.db2.gz PLHQDJNAVFKZIO-RTBURBONSA-N 1 0 338.455 2.689 50 0 EFAARO O=S(=O)(NCCc1[nH+]cc2ccccn21)c1ccc(Cl)s1 ZINC000031773185 472394242 /nfs/dbraw/zinc/39/42/42/472394242.db2.gz GXIFFKXDPUXXTH-UHFFFAOYSA-N 1 0 341.845 2.570 50 0 EFAARO O=C1CCCN1CCC[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000097159742 472467799 /nfs/dbraw/zinc/46/77/99/472467799.db2.gz WLJBWTYFPZINID-UHFFFAOYSA-N 1 0 338.411 2.925 50 0 EFAARO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000097199409 472475711 /nfs/dbraw/zinc/47/57/11/472475711.db2.gz JNZLTTBCKGRADN-INIZCTEOSA-N 1 0 336.443 2.692 50 0 EFAARO Cc1ccc(NC[C@@H]2CC[N@H+](Cc3ccc4c(c3)OC(=O)C4)C2)nc1 ZINC000097200519 472476319 /nfs/dbraw/zinc/47/63/19/472476319.db2.gz NGMGRYYLLRNCFW-INIZCTEOSA-N 1 0 337.423 2.786 50 0 EFAARO Cc1ccnc(NC[C@@H]2CC[N@H+](CCC(=O)NC3CCCC3)C2)c1 ZINC000097200813 472477016 /nfs/dbraw/zinc/47/70/16/472477016.db2.gz PHPRUUQYUUHOLK-INIZCTEOSA-N 1 0 330.476 2.573 50 0 EFAARO Cc1ccnc(NC[C@H]2CC[N@H+](Cc3ccc4c(c3)OC(=O)C4)C2)c1 ZINC000097200808 472477392 /nfs/dbraw/zinc/47/73/92/472477392.db2.gz CJQVEDDUMFKCGU-MRXNPFEDSA-N 1 0 337.423 2.786 50 0 EFAARO O=C(CC[NH+]1CCC(c2cn[nH]c2)CC1)NCc1ccccc1Cl ZINC000097200431 472478386 /nfs/dbraw/zinc/47/83/86/472478386.db2.gz FCDGCTJKDHAPNC-UHFFFAOYSA-N 1 0 346.862 2.949 50 0 EFAARO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc4c(c3)OC(=O)C4)C2)n1 ZINC000097200545 472478794 /nfs/dbraw/zinc/47/87/94/472478794.db2.gz KJTFJZOVEYJDAE-INIZCTEOSA-N 1 0 337.423 2.786 50 0 EFAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccco3)no2)c1 ZINC000077300471 472496716 /nfs/dbraw/zinc/49/67/16/472496716.db2.gz BELJWYZAYVRYME-AWEZNQCLSA-N 1 0 327.388 2.971 50 0 EFAARO COc1ccc(CN2CC[C@@](O)(C[NH+]3CCCCC3)C2)cc1Cl ZINC000077321245 472502961 /nfs/dbraw/zinc/50/29/61/472502961.db2.gz XOMGSMZRWNPQEM-GOSISDBHSA-N 1 0 338.879 2.771 50 0 EFAARO O=C(CCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccc(F)cc1 ZINC000077323846 472502995 /nfs/dbraw/zinc/50/29/95/472502995.db2.gz YTUUIFJXLIJMNV-LJQANCHMSA-N 1 0 348.462 2.975 50 0 EFAARO C[C@@H](c1ccc(C(=O)NCCCn2ccnc2)o1)[NH+]1CCCCC1 ZINC000097642204 472503129 /nfs/dbraw/zinc/50/31/29/472503129.db2.gz OXFCJHYLPXJGNP-HNNXBMFYSA-N 1 0 330.432 2.843 50 0 EFAARO COc1ccc(/C=C/C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000077322886 472504345 /nfs/dbraw/zinc/50/43/45/472504345.db2.gz RKSYIBDCFITASG-PXPVJAHISA-N 1 0 330.472 2.895 50 0 EFAARO Cc1cc(C)c(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)cc1C ZINC000077337379 472506073 /nfs/dbraw/zinc/50/60/73/472506073.db2.gz NKTWIZDRANMPAN-HXUWFJFHSA-N 1 0 330.472 2.675 50 0 EFAARO Cc1noc2nc(C)cc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)c12 ZINC000058181516 472514452 /nfs/dbraw/zinc/51/44/52/472514452.db2.gz DPTVEQRFNBZVIZ-AWEZNQCLSA-N 1 0 330.432 2.690 50 0 EFAARO CC(C)c1nccc(C[NH+]2CCC(CCN3CCCC3=O)CC2)n1 ZINC000077377949 472515159 /nfs/dbraw/zinc/51/51/59/472515159.db2.gz VGBXMSHDSCYKMH-UHFFFAOYSA-N 1 0 330.476 2.825 50 0 EFAARO Cc1[nH]nc(C2CC2)c1C(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000077375998 472515663 /nfs/dbraw/zinc/51/56/63/472515663.db2.gz BPXOOZUMWLHVQZ-UHFFFAOYSA-N 1 0 339.443 2.651 50 0 EFAARO Cc1ncsc1CCC(=O)N(C)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000077379427 472517040 /nfs/dbraw/zinc/51/70/40/472517040.db2.gz RRFXKZRYGCJQEC-KRWDZBQOSA-N 1 0 343.496 2.899 50 0 EFAARO O=C(c1cscn1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077387543 472518219 /nfs/dbraw/zinc/51/82/19/472518219.db2.gz KYSSLNGHXPEYRN-UHFFFAOYSA-N 1 0 329.469 2.924 50 0 EFAARO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CCN2CCCC2=O)cn1 ZINC000077386247 472518786 /nfs/dbraw/zinc/51/87/86/472518786.db2.gz AEXUVIDQGYKWKY-KRWDZBQOSA-N 1 0 330.476 2.515 50 0 EFAARO Cc1ccccc1CN1CCN(C(=O)C[NH+]2CCCCCCC2)CC1 ZINC000077394050 472519681 /nfs/dbraw/zinc/51/96/81/472519681.db2.gz VFDKADRUPCMYRC-UHFFFAOYSA-N 1 0 343.515 2.905 50 0 EFAARO Cn1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000077407755 472522126 /nfs/dbraw/zinc/52/21/26/472522126.db2.gz XLKYXHPXWQVZLV-GOSISDBHSA-N 1 0 326.444 2.849 50 0 EFAARO Cc1noc2nc(C)nc(N3CCCN(c4cc[nH+]c(C)c4)CC3)c12 ZINC000077454087 472529969 /nfs/dbraw/zinc/52/99/69/472529969.db2.gz MHQFJKJTSSTJCQ-UHFFFAOYSA-N 1 0 338.415 2.655 50 0 EFAARO CCCCCc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000077459339 472530921 /nfs/dbraw/zinc/53/09/21/472530921.db2.gz AKHZKBNSJFGBOB-FUHWJXTLSA-N 1 0 336.501 2.744 50 0 EFAARO CC[N@@H+]1C[C@H](NC(=O)c2cc(C)nc3c(C)c(C)ccc23)[C@@H](OC)C1 ZINC000077471604 472532411 /nfs/dbraw/zinc/53/24/11/472532411.db2.gz HMLYPWLGQHEIFY-ROUUACIJSA-N 1 0 341.455 2.609 50 0 EFAARO Cn1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000077505667 472540758 /nfs/dbraw/zinc/54/07/58/472540758.db2.gz LKDWORPCEUSKBB-SFHVURJKSA-N 1 0 326.444 2.849 50 0 EFAARO c1cn(Cc2ccc(N3CCC[N@@H+](C4CCCC4)CC3)nc2)cn1 ZINC000077505060 472540794 /nfs/dbraw/zinc/54/07/94/472540794.db2.gz CJBVRBJOYZFGJH-UHFFFAOYSA-N 1 0 325.460 2.781 50 0 EFAARO C[N@H+](Cc1ccc2nsnc2c1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000077520501 472545795 /nfs/dbraw/zinc/54/57/95/472545795.db2.gz QYQAICYDMGSPPJ-CQSZACIVSA-N 1 0 333.457 2.851 50 0 EFAARO CCCc1ccc(C[NH+]2CCC(Cc3n[nH]c(=O)n3CC)CC2)o1 ZINC000071499268 472552220 /nfs/dbraw/zinc/55/22/20/472552220.db2.gz IDUBUYYMDRYYSU-UHFFFAOYSA-N 1 0 332.448 2.592 50 0 EFAARO CC(C)[C@@H]1CN(C(=O)c2cnn3ccccc23)CCC[N@@H+]1CC1CC1 ZINC000071614032 472553087 /nfs/dbraw/zinc/55/30/87/472553087.db2.gz CNEYLKUYXJXKPO-IBGZPJMESA-N 1 0 340.471 2.917 50 0 EFAARO C[C@@H](c1ccc(-c2nccn2CCN2CCOCC2)cc1)[NH+](C)C ZINC000071721511 472556364 /nfs/dbraw/zinc/55/63/64/472556364.db2.gz NJRNMRMJOZMHFW-INIZCTEOSA-N 1 0 328.460 2.505 50 0 EFAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCCCc3ccccc3)C2)CC1 ZINC000071750705 472557454 /nfs/dbraw/zinc/55/74/54/472557454.db2.gz DMDWIRRCQVMVGW-LJQANCHMSA-N 1 0 343.515 2.542 50 0 EFAARO COC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071754512 472559365 /nfs/dbraw/zinc/55/93/65/472559365.db2.gz PAKKSYUKGRECKY-RCCFBDPRSA-N 1 0 328.456 2.500 50 0 EFAARO Cc1nn(C)c(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3)C2)c1Cl ZINC000071752179 472559419 /nfs/dbraw/zinc/55/94/19/472559419.db2.gz AQGUGJNCWBNNSV-HNNXBMFYSA-N 1 0 346.862 2.601 50 0 EFAARO Cc1nn(C)c(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3)C2)c1Cl ZINC000071752180 472560159 /nfs/dbraw/zinc/56/01/59/472560159.db2.gz AQGUGJNCWBNNSV-OAHLLOKOSA-N 1 0 346.862 2.601 50 0 EFAARO O=C1CCCN1C1CC[NH+](Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000071753570 472560354 /nfs/dbraw/zinc/56/03/54/472560354.db2.gz OJHZPWIVYHEMOM-UHFFFAOYSA-N 1 0 338.455 2.518 50 0 EFAARO COc1ncc(-c2nccn2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000071753323 472560572 /nfs/dbraw/zinc/56/05/72/472560572.db2.gz VXNLZVKBSJRIAI-UHFFFAOYSA-N 1 0 335.411 2.934 50 0 EFAARO CC[NH+](CC)CCCCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000071769285 472562396 /nfs/dbraw/zinc/56/23/96/472562396.db2.gz VVSXGRXMUJXGIQ-UHFFFAOYSA-N 1 0 338.448 2.564 50 0 EFAARO CO[C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000071763696 472563174 /nfs/dbraw/zinc/56/31/74/472563174.db2.gz RNQMTJITLNOKDC-MSOLQXFVSA-N 1 0 326.396 2.667 50 0 EFAARO CCn1c(=O)[nH]nc1CC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000071776267 472564090 /nfs/dbraw/zinc/56/40/90/472564090.db2.gz OKRWKAJJVLQVMQ-RMKNXTFCSA-N 1 0 326.444 2.559 50 0 EFAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1CCN(C)c2ccccc21 ZINC000058407779 472565368 /nfs/dbraw/zinc/56/53/68/472565368.db2.gz QKHWLRGXDBLOSG-OAHLLOKOSA-N 1 0 327.476 2.508 50 0 EFAARO COc1c(C[NH2+]C2CCN(c3ccccn3)CC2)c(C(C)C)nn1C ZINC000058415082 472565823 /nfs/dbraw/zinc/56/58/23/472565823.db2.gz ZIPZASIIPIWXHU-UHFFFAOYSA-N 1 0 343.475 2.706 50 0 EFAARO COc1c(C[NH2+]C[C@@H]2COc3ccccc3C2)c(C(C)C)nn1C ZINC000058421663 472568451 /nfs/dbraw/zinc/56/84/51/472568451.db2.gz RLYFBLGCKMCVKD-CQSZACIVSA-N 1 0 329.444 2.893 50 0 EFAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000058433947 472569109 /nfs/dbraw/zinc/56/91/09/472569109.db2.gz KISQOYOUWBNGFE-IBGZPJMESA-N 1 0 340.471 2.651 50 0 EFAARO Cn1nccc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000071853503 472584380 /nfs/dbraw/zinc/58/43/80/472584380.db2.gz KHXJYFJSOFCHEM-ZWKOTPCHSA-N 1 0 338.455 2.689 50 0 EFAARO Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000059308060 472624067 /nfs/dbraw/zinc/62/40/67/472624067.db2.gz FZRBMONDBFWRJN-SFHVURJKSA-N 1 0 340.423 2.579 50 0 EFAARO CN(CCC[NH+](C)C)[C@@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000072148294 472631298 /nfs/dbraw/zinc/63/12/98/472631298.db2.gz DLEIXQFOQICNLT-CQSZACIVSA-N 1 0 348.516 2.718 50 0 EFAARO Cc1cccc(C)c1NC(=O)N[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000072132052 472631452 /nfs/dbraw/zinc/63/14/52/472631452.db2.gz ZBSOQJRBOUMJQQ-QGZVFWFLSA-N 1 0 344.503 2.984 50 0 EFAARO CN1C[C@]2(CCC[N@H+](Cc3nc4c(s3)CCCC4)CC2)OC1=O ZINC000072146830 472631650 /nfs/dbraw/zinc/63/16/50/472631650.db2.gz CSIFOBVYWAZILH-QGZVFWFLSA-N 1 0 335.473 2.829 50 0 EFAARO O=c1nc(-c2ccccc2)c2c(OC3C[NH2+]C3)ccc(Cl)c2[nH]1 ZINC000072233746 472635994 /nfs/dbraw/zinc/63/59/94/472635994.db2.gz UCQYKEFQEBXWGT-UHFFFAOYSA-N 1 0 327.771 2.594 50 0 EFAARO O=C(NC1CCCCC1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700919 472653364 /nfs/dbraw/zinc/65/33/64/472653364.db2.gz QAMMBTFRIXIYEG-MRXNPFEDSA-N 1 0 325.522 2.932 50 0 EFAARO Cc1cc2nc(C)cc(N3CCN(c4cc(C)[nH+]c(C)c4)CC3)n2n1 ZINC000072478542 472664896 /nfs/dbraw/zinc/66/48/96/472664896.db2.gz FCQWGWPJGFLAOU-UHFFFAOYSA-N 1 0 336.443 2.685 50 0 EFAARO Cc1nn(CCC(=O)N[C@H]2CC[C@H]2[NH2+]C2CCCCC2)c(C)c1C ZINC000072479801 472665499 /nfs/dbraw/zinc/66/54/99/472665499.db2.gz YKIQSENLJUNKLM-MSOLQXFVSA-N 1 0 332.492 2.768 50 0 EFAARO COc1ccc([C@@H](O)C[NH+]2CCN(c3ccccc3C)CC2)cc1 ZINC000062005053 472726791 /nfs/dbraw/zinc/72/67/91/472726791.db2.gz RVZVXTHGBVWAJA-FQEVSTJZSA-N 1 0 326.440 2.859 50 0 EFAARO CC[N@@H+]1C[C@H](NC(=O)c2[nH]c3c(cc(C)cc3C)c2C)[C@@H](OC)C1 ZINC000091325301 472756953 /nfs/dbraw/zinc/75/69/53/472756953.db2.gz XEVQUZSYNGVBGG-HOTGVXAUSA-N 1 0 329.444 2.542 50 0 EFAARO CCc1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2c(C)noc2C)C3)on1 ZINC000091350752 472758271 /nfs/dbraw/zinc/75/82/71/472758271.db2.gz WLJDEOSNZPTOAN-DOTOQJQBSA-N 1 0 344.459 2.938 50 0 EFAARO COC[C@]1(O)CC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)CC1(C)C ZINC000091350778 472758367 /nfs/dbraw/zinc/75/83/67/472758367.db2.gz XQGPBSYJVYBVGW-OAQYLSRUSA-N 1 0 349.515 3.000 50 0 EFAARO COCC[C@]1(CO)CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000091382122 472762712 /nfs/dbraw/zinc/76/27/12/472762712.db2.gz DXTUNVUBBJTGJS-QGZVFWFLSA-N 1 0 327.852 2.830 50 0 EFAARO COC[C@H](C)[NH2+]Cc1cc(=O)[nH]c(-c2csc3c2CCCC3)n1 ZINC000063847112 472819738 /nfs/dbraw/zinc/81/97/38/472819738.db2.gz VTQZHRZYGZMVQL-NSHDSACASA-N 1 0 333.457 2.502 50 0 EFAARO CSCCC[NH+]1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 ZINC000091896225 472824603 /nfs/dbraw/zinc/82/46/03/472824603.db2.gz CSVDLMBCEJVYDF-INIZCTEOSA-N 1 0 340.533 2.623 50 0 EFAARO CN(CC(=O)N1CCC[N@H+](Cc2cccs2)CC1)c1ccccc1 ZINC000064458572 472855304 /nfs/dbraw/zinc/85/53/04/472855304.db2.gz ZDWSCLXJIXUIAN-UHFFFAOYSA-N 1 0 343.496 2.919 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)N1CCOc2ccccc2C1)c1cccs1 ZINC000079570825 472887522 /nfs/dbraw/zinc/88/75/22/472887522.db2.gz UJRKCFGDJYYPHD-OAHLLOKOSA-N 1 0 345.468 2.955 50 0 EFAARO Cc1cc(N(C)Cc2nncn2C(C)C)nc(N2CCCCC2)[nH+]1 ZINC000065372129 472928530 /nfs/dbraw/zinc/92/85/30/472928530.db2.gz WNAPLDDVBNNIPJ-UHFFFAOYSA-N 1 0 329.452 2.584 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)CC1 ZINC000065382616 472929445 /nfs/dbraw/zinc/92/94/45/472929445.db2.gz SZPMBOIWQYTSRW-LJQANCHMSA-N 1 0 345.487 2.710 50 0 EFAARO Cc1ccccc1N1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000065382041 472929757 /nfs/dbraw/zinc/92/97/57/472929757.db2.gz VPMVEXRKQBTVEY-GOSISDBHSA-N 1 0 329.488 2.908 50 0 EFAARO CCc1ccccc1OC1CN(C(=O)CC2CC[NH+](CC)CC2)C1 ZINC000065385519 472931559 /nfs/dbraw/zinc/93/15/59/472931559.db2.gz MDTWYCRJJLSHKN-UHFFFAOYSA-N 1 0 330.472 2.961 50 0 EFAARO [NH3+]CCc1nc2ccccc2c(NCCN2CCc3ccccc32)n1 ZINC000065393874 472932823 /nfs/dbraw/zinc/93/28/23/472932823.db2.gz RPOIPTYFHSQMKB-UHFFFAOYSA-N 1 0 333.439 2.606 50 0 EFAARO CC(C)C[C@@H](O)C1CCN(c2nc(CC[NH3+])nc3ccccc32)CC1 ZINC000065398846 472933767 /nfs/dbraw/zinc/93/37/67/472933767.db2.gz KMQDSDHTQBREKG-GOSISDBHSA-N 1 0 342.487 2.754 50 0 EFAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3oc(C)cc3c2)C1 ZINC000065398250 472934292 /nfs/dbraw/zinc/93/42/92/472934292.db2.gz JEHQGHNUSBOUDX-HNNXBMFYSA-N 1 0 330.428 2.829 50 0 EFAARO COc1cc2c(cc1CNc1nc(C)nc3c1CC[NH2+]CC3)CCC2 ZINC000065403659 472935956 /nfs/dbraw/zinc/93/59/56/472935956.db2.gz WQUYTBHTHCAMFN-UHFFFAOYSA-N 1 0 338.455 2.583 50 0 EFAARO CCc1cc(N[C@H](CC)c2ccccn2)nc(N2CCOCC2)[nH+]1 ZINC000065408132 472936920 /nfs/dbraw/zinc/93/69/20/472936920.db2.gz IXYLDHXFQWTPQO-OAHLLOKOSA-N 1 0 327.432 2.834 50 0 EFAARO O=C(CC[N@@H+]1CCCC[C@@H]1CCn1cccn1)Nc1cccnc1 ZINC000065459472 472946568 /nfs/dbraw/zinc/94/65/68/472946568.db2.gz NWRIYCQGIWYEHA-QGZVFWFLSA-N 1 0 327.432 2.552 50 0 EFAARO Cc1sc2nc(CC[NH3+])nc(NCCNc3cccnc3)c2c1C ZINC000065462373 472947278 /nfs/dbraw/zinc/94/72/78/472947278.db2.gz RRJIKELHZPQUJQ-UHFFFAOYSA-N 1 0 342.472 2.728 50 0 EFAARO COC(=O)c1ccc(-c2nc(C(C)C)nn2-c2cc[nH+]c(C)c2)nc1 ZINC000065458369 472947577 /nfs/dbraw/zinc/94/75/77/472947577.db2.gz NOCWZCAZJLQQMM-UHFFFAOYSA-N 1 0 337.383 2.943 50 0 EFAARO O=C(CC[N@@H+]1CCCC[C@H]1CCn1cccn1)Nc1cccnc1 ZINC000065459475 472947686 /nfs/dbraw/zinc/94/76/86/472947686.db2.gz NWRIYCQGIWYEHA-KRWDZBQOSA-N 1 0 327.432 2.552 50 0 EFAARO COc1ccc([C@@H](O)C[NH+]2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000049420914 472948055 /nfs/dbraw/zinc/94/80/55/472948055.db2.gz DUOGBAXGVKSLSI-FQEVSTJZSA-N 1 0 326.440 2.859 50 0 biogenic EFAARO O[C@@H](COCc1ccccc1Cl)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000065464253 472948287 /nfs/dbraw/zinc/94/82/87/472948287.db2.gz LMPZONVYDFCJES-QGZVFWFLSA-N 1 0 349.862 2.820 50 0 EFAARO CC(C)[NH+]1CCC(CC(=O)NCc2noc(C3CCCC3)n2)CC1 ZINC000065527356 472967366 /nfs/dbraw/zinc/96/73/66/472967366.db2.gz GKLYMKUSZKVIOP-UHFFFAOYSA-N 1 0 334.464 2.854 50 0 EFAARO C[N@@H+](Cc1cccn1-c1ncccn1)C[C@H]1COc2ccccc2O1 ZINC000065530164 472968259 /nfs/dbraw/zinc/96/82/59/472968259.db2.gz KSZRJHYQAFTNQR-INIZCTEOSA-N 1 0 336.395 2.539 50 0 EFAARO C[N@H+](Cc1cccn1-c1ncccn1)Cc1ccc2nsnc2c1 ZINC000065530747 472968361 /nfs/dbraw/zinc/96/83/61/472968361.db2.gz SHMBGTRNGCUKAL-UHFFFAOYSA-N 1 0 336.424 2.904 50 0 EFAARO Cc1ncsc1CCC(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000065531047 472968381 /nfs/dbraw/zinc/96/83/81/472968381.db2.gz SLSABSDRUZJUIL-UHFFFAOYSA-N 1 0 330.457 2.518 50 0 EFAARO COCCCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCCC[N@@H+]1C ZINC000095387601 473194683 /nfs/dbraw/zinc/19/46/83/473194683.db2.gz UAQKQPDYPDUCQB-LJQANCHMSA-N 1 0 348.487 2.935 50 0 EFAARO CCC[C@](C)([NH3+])C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000262664064 473707673 /nfs/dbraw/zinc/70/76/73/473707673.db2.gz IAMOAMCLTAJXLP-SFHVURJKSA-N 1 0 326.400 2.790 50 0 EFAARO CC[N@@H+](Cc1cnn2c1nc(C)cc2C)C[C@H](O)c1cccc(O)c1 ZINC000214954956 474137321 /nfs/dbraw/zinc/13/73/21/474137321.db2.gz XSQGOPWGSBNXBK-SFHVURJKSA-N 1 0 340.427 2.607 50 0 EFAARO CCc1c(C)nn(CC(=O)NCC2([NH+]3CCCC3)CCCC2)c1C ZINC000219786351 474149589 /nfs/dbraw/zinc/14/95/89/474149589.db2.gz KBSGYWLYFXIDCC-UHFFFAOYSA-N 1 0 332.492 2.587 50 0 EFAARO O=C(CCC(F)(F)F)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000219983647 474150281 /nfs/dbraw/zinc/15/02/81/474150281.db2.gz YIUDWMGBAVDXMH-UHFFFAOYSA-N 1 0 326.362 2.641 50 0 EFAARO Cc1nn(CCNC(=O)C2([NH+]3CCCC3)CCCCC2)c(C)c1C ZINC000219964638 474151157 /nfs/dbraw/zinc/15/11/57/474151157.db2.gz LDZPLCZOOUAKGE-UHFFFAOYSA-N 1 0 332.492 2.723 50 0 EFAARO Cc1cn2cc(C(=O)NCCc3nc4ccccc4n3C)ccc2n1 ZINC000220221619 474152922 /nfs/dbraw/zinc/15/29/22/474152922.db2.gz HNFZEHHZRQMLLL-UHFFFAOYSA-N 1 0 333.395 2.502 50 0 EFAARO CN(Cc1ccccc1C[NH+](C)C)C(=O)[C@@H](O)c1cccc(F)c1 ZINC000220651745 474156023 /nfs/dbraw/zinc/15/60/23/474156023.db2.gz BYQAZVNZXHMTEP-SFHVURJKSA-N 1 0 330.403 2.579 50 0 EFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCc2ccccc2O1 ZINC000220514543 474156945 /nfs/dbraw/zinc/15/69/45/474156945.db2.gz MKGHZPUXEFMQLZ-FQEVSTJZSA-N 1 0 336.435 2.555 50 0 EFAARO O=C(CN1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)OCO2 ZINC000220965570 474157525 /nfs/dbraw/zinc/15/75/25/474157525.db2.gz LXGCUOQSPWFOEI-UHFFFAOYSA-N 1 0 330.428 2.548 50 0 EFAARO CC1CC[NH+](Cc2ccc(C(=O)NCCc3csc(N)n3)o2)CC1 ZINC000220739706 474157766 /nfs/dbraw/zinc/15/77/66/474157766.db2.gz YUKIURGVAMMFHH-UHFFFAOYSA-N 1 0 348.472 2.523 50 0 EFAARO COc1ccc(C(=O)CN2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000220965913 474158333 /nfs/dbraw/zinc/15/83/33/474158333.db2.gz OAFAGMHOWKOOPO-UHFFFAOYSA-N 1 0 346.471 2.837 50 0 EFAARO CN(C)c1nc(C2CC([NH3+])C2)cc(N(C)C/C=C/c2ccccc2)n1 ZINC000222373316 474167654 /nfs/dbraw/zinc/16/76/54/474167654.db2.gz DQNUJDUIZXVNFY-JXMROGBWSA-N 1 0 337.471 2.897 50 0 EFAARO Cc1cccc(Cl)c1OCCNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000222357034 474168016 /nfs/dbraw/zinc/16/80/16/474168016.db2.gz BTIMSPHZNBDDQW-UHFFFAOYSA-N 1 0 347.850 2.716 50 0 EFAARO c1ccc(CN2CCC([NH2+][C@@H]3COCC[C@@H]3OCC3CC3)CC2)cc1 ZINC000222324293 474168344 /nfs/dbraw/zinc/16/83/44/474168344.db2.gz JNDXJVZSGJGTQI-RTWAWAEBSA-N 1 0 344.499 2.825 50 0 EFAARO Cc1nccn1-c1ccccc1CNC(=O)C[NH+]1CCCCCC1 ZINC000223369561 474184103 /nfs/dbraw/zinc/18/41/03/474184103.db2.gz SEUHDIMNJFPNFH-UHFFFAOYSA-N 1 0 326.444 2.673 50 0 EFAARO Cc1ccc(CCNC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000223600579 474186428 /nfs/dbraw/zinc/18/64/28/474186428.db2.gz UCAVIISXOYCDNC-UHFFFAOYSA-N 1 0 343.496 2.781 50 0 EFAARO Cc1csc(CN(C)c2cc(C3CC([NH3+])C3)nc(C3CC3)n2)n1 ZINC000223828912 474191071 /nfs/dbraw/zinc/19/10/71/474191071.db2.gz JDGZXAQJJZVOEH-UHFFFAOYSA-N 1 0 329.473 2.960 50 0 EFAARO CC(C)n1ccnc1C1CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000223908442 474192434 /nfs/dbraw/zinc/19/24/34/474192434.db2.gz SQVMMWGJZWRSFO-UHFFFAOYSA-N 1 0 340.475 2.843 50 0 EFAARO [NH3+]C1CC(c2cc(NCc3cn4ccccc4n3)nc(C3CC3)n2)C1 ZINC000223944166 474194238 /nfs/dbraw/zinc/19/42/38/474194238.db2.gz IMMZOEAMRIEREG-UHFFFAOYSA-N 1 0 334.427 2.819 50 0 EFAARO O=C(Cc1ccsc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687413 474235422 /nfs/dbraw/zinc/23/54/22/474235422.db2.gz PNJJQCFDGLKBOA-GOSISDBHSA-N 1 0 326.465 2.950 50 0 EFAARO COc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000188980165 474252060 /nfs/dbraw/zinc/25/20/60/474252060.db2.gz NEOXFZOORXOYEW-MAUKXSAKSA-N 1 0 346.377 2.849 50 0 EFAARO CC[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccs1 ZINC000176253878 474420906 /nfs/dbraw/zinc/42/09/06/474420906.db2.gz PUHGHAPZXXFOTQ-OAHLLOKOSA-N 1 0 337.489 2.705 50 0 EFAARO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237681534 474456827 /nfs/dbraw/zinc/45/68/27/474456827.db2.gz WNIDVRPFEDFIQC-INIZCTEOSA-N 1 0 341.455 2.559 50 0 EFAARO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)Nc1nc(-c2ccccc2)cs1 ZINC000239302511 474544694 /nfs/dbraw/zinc/54/46/94/474544694.db2.gz FJZPPHKXPWZWRZ-HNNXBMFYSA-N 1 0 342.468 2.529 50 0 EFAARO CCC1=NO[C@H](C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)C1 ZINC000244724166 474565634 /nfs/dbraw/zinc/56/56/34/474565634.db2.gz MOZAQIWFVWWGIF-IBGZPJMESA-N 1 0 343.471 2.912 50 0 EFAARO O=C(C[N@@H+]1CCCC[C@H]1CCn1cccn1)Nc1ccc(F)cc1 ZINC000244795143 474566537 /nfs/dbraw/zinc/56/65/37/474566537.db2.gz RALZDRVBTPLKIK-KRWDZBQOSA-N 1 0 330.407 2.906 50 0 EFAARO CC(C)Oc1ccc(NC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000244899377 474567947 /nfs/dbraw/zinc/56/79/47/474567947.db2.gz ZITAZMDSLIUSAO-KRWDZBQOSA-N 1 0 331.460 2.582 50 0 EFAARO Cc1cc([C@H]2CCCN2CC[NH+]2CCN(c3ccccc3)CC2)no1 ZINC000244866636 474567957 /nfs/dbraw/zinc/56/79/57/474567957.db2.gz VZOPWASDKUNFMO-HXUWFJFHSA-N 1 0 340.471 2.942 50 0 EFAARO Cc1ccc(CN(C(=O)CN2CC[C@@H]([NH+](C)C)C2)C2CCCC2)cc1 ZINC000252482696 474668563 /nfs/dbraw/zinc/66/85/63/474668563.db2.gz DMDINFFIYCMKOQ-HXUWFJFHSA-N 1 0 343.515 2.902 50 0 EFAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cccc(-c2ccccc2)c1 ZINC000287510235 475177764 /nfs/dbraw/zinc/17/77/64/475177764.db2.gz FJATVWHRESHOBL-LJQANCHMSA-N 1 0 338.455 2.721 50 0 EFAARO Cc1nccn1CCC(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000299755130 476150431 /nfs/dbraw/zinc/15/04/31/476150431.db2.gz CHOZSVYNCLFMFK-UHFFFAOYSA-N 1 0 345.834 2.860 50 0 EFAARO Cc1nnc(CNC(=O)CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000299763770 476151312 /nfs/dbraw/zinc/15/13/12/476151312.db2.gz RLHOLCDEFDURIC-UHFFFAOYSA-N 1 0 344.484 2.765 50 0 EFAARO Cc1cc(C(=O)NC2CC[NH+](Cc3cccs3)CC2)cc(=O)[nH]1 ZINC000375037207 476652956 /nfs/dbraw/zinc/65/29/56/476652956.db2.gz IVIGZTXMXICMIZ-UHFFFAOYSA-N 1 0 331.441 2.552 50 0 EFAARO CC(C)c1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ncn1 ZINC000390909864 476808077 /nfs/dbraw/zinc/80/80/77/476808077.db2.gz VOEHKVGSKFWELE-GOSISDBHSA-N 1 0 340.471 3.303 50 0 EFAARO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(Oc3ccccc3F)CC2)C1 ZINC000426415672 477709266 /nfs/dbraw/zinc/70/92/66/477709266.db2.gz UWIHGGWGHLAXHE-OAHLLOKOSA-N 1 0 349.450 2.720 50 0 EFAARO CC1(C)CC(CC(=O)NC[C@H](O)Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000426443163 477709970 /nfs/dbraw/zinc/70/99/70/477709970.db2.gz HMBMJAJKISIZBP-QGZVFWFLSA-N 1 0 332.488 2.653 50 0 EFAARO COc1ccc2c(c1)[C@H](C)N(C(=O)CSCC[NH+]1CCCC1)CC2 ZINC000426518698 477712093 /nfs/dbraw/zinc/71/20/93/477712093.db2.gz FHMNUNRDDQKYOP-HNNXBMFYSA-N 1 0 348.512 2.970 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1cccc2cnccc21 ZINC000426527673 477715202 /nfs/dbraw/zinc/71/52/02/477715202.db2.gz FIFHSFGRDLWDNF-QGZVFWFLSA-N 1 0 326.444 2.861 50 0 EFAARO Cc1ccc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1C ZINC000426535949 477716938 /nfs/dbraw/zinc/71/69/38/477716938.db2.gz UUTKTJYCYXHUJC-GOSISDBHSA-N 1 0 333.476 2.556 50 0 EFAARO Cn1ccnc1CCNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000426534391 477717428 /nfs/dbraw/zinc/71/74/28/477717428.db2.gz FRYKGLXLGKYVME-UHFFFAOYSA-N 1 0 340.471 2.769 50 0 EFAARO CCc1ccc(CN(CC)C(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000426538697 477717590 /nfs/dbraw/zinc/71/75/90/477717590.db2.gz YHASQRJESYMVIU-LJQANCHMSA-N 1 0 347.503 2.627 50 0 EFAARO CC[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2cc(-c3ccccc3)on2)C1 ZINC000426535908 477717792 /nfs/dbraw/zinc/71/77/92/477717792.db2.gz PSCYTNXMAKHQCQ-OAHLLOKOSA-N 1 0 342.443 2.825 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(CCOC)Cc1ccccc1C ZINC000426548477 477718868 /nfs/dbraw/zinc/71/88/68/477718868.db2.gz IHKDMTBUWAQVNH-GOSISDBHSA-N 1 0 333.476 2.637 50 0 EFAARO COCCN(Cc1ccc(C)s1)C(=O)NC[C@]1(C)CC[N@H+](C)C1 ZINC000426589943 477723605 /nfs/dbraw/zinc/72/36/05/477723605.db2.gz HAGPPZJTOZNSGY-KRWDZBQOSA-N 1 0 339.505 2.556 50 0 EFAARO Cc1nc([C@@H]2CCOC2)cc(N2CCC(CC[NH+]3CCCC3)CC2)n1 ZINC000426624771 477727764 /nfs/dbraw/zinc/72/77/64/477727764.db2.gz NUFPBDHTIQLSDW-GOSISDBHSA-N 1 0 344.503 2.991 50 0 EFAARO O=C(NCc1ccco1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000426641564 477730582 /nfs/dbraw/zinc/73/05/82/477730582.db2.gz PJEYBEZVUZQSHC-GOSISDBHSA-N 1 0 339.439 2.664 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000426646945 477732843 /nfs/dbraw/zinc/73/28/43/477732843.db2.gz AVWYDFBUSJWWGE-IXDOHACOSA-N 1 0 328.460 2.800 50 0 EFAARO C[NH2+]Cc1nnc(SC[C@@H](O)C2CC2)n1-c1cccc(Cl)c1 ZINC000426652979 477734481 /nfs/dbraw/zinc/73/44/81/477734481.db2.gz PTGGZQOJKNPTIK-CYBMUJFWSA-N 1 0 338.864 2.503 50 0 EFAARO COc1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c(OCC[NH3+])c1 ZINC000426693832 477738488 /nfs/dbraw/zinc/73/84/88/477738488.db2.gz SBRSXJLFSPFIJQ-PJPHBNEVSA-N 1 0 344.455 2.683 50 0 EFAARO CCc1cc(CSc2nnc(C[NH3+])n2-c2ccc(F)cc2)on1 ZINC000426690281 477738979 /nfs/dbraw/zinc/73/89/79/477738979.db2.gz KRMTUQLXWOGFGW-UHFFFAOYSA-N 1 0 333.392 2.708 50 0 EFAARO Cc1cccnc1C[C@H](C)NC(=O)c1cc(Cl)ccc1OCC[NH3+] ZINC000426701607 477740678 /nfs/dbraw/zinc/74/06/78/477740678.db2.gz MTCVDQMYAPNQOP-ZDUSSCGKSA-N 1 0 347.846 2.742 50 0 EFAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)NCCc2ncc[nH]2)cc1 ZINC000534578959 478159557 /nfs/dbraw/zinc/15/95/57/478159557.db2.gz ABJBCEXFXNBZHA-QGZVFWFLSA-N 1 0 341.459 2.561 50 0 EFAARO Fc1ccc(CN2CCC3(CC2)C[NH2+]CCO3)cc1C(F)(F)F ZINC000534587844 478160472 /nfs/dbraw/zinc/16/04/72/478160472.db2.gz MLCVNZPVRMXRQJ-UHFFFAOYSA-N 1 0 332.341 2.799 50 0 EFAARO Cc1csc(CC[NH2+]C2CCN(C(=O)c3cccs3)CC2)n1 ZINC000534589998 478160776 /nfs/dbraw/zinc/16/07/76/478160776.db2.gz QIHCOVMRWUMADX-UHFFFAOYSA-N 1 0 335.498 2.950 50 0 EFAARO COC1CCN(C(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)CC1 ZINC000534587281 478161198 /nfs/dbraw/zinc/16/11/98/478161198.db2.gz KMFLKBYSMXEELP-SFHVURJKSA-N 1 0 349.450 2.783 50 0 EFAARO Cc1cc(-c2cccc(C(=O)NCC[NH+]3CCCC3)c2)c(=O)[nH]c1C ZINC000534590723 478161322 /nfs/dbraw/zinc/16/13/22/478161322.db2.gz OEVVVLXYBFEHQP-UHFFFAOYSA-N 1 0 339.439 2.897 50 0 EFAARO C[C@H](CNC(=O)N(C)Cc1cnc2ccccc2c1)[NH+]1CCCC1 ZINC000534588855 478161330 /nfs/dbraw/zinc/16/13/30/478161330.db2.gz GYFCRUAODQHXGZ-OAHLLOKOSA-N 1 0 326.444 2.861 50 0 EFAARO CC[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1cc(-c2cccs2)n[nH]1 ZINC000534588909 478161421 /nfs/dbraw/zinc/16/14/21/478161421.db2.gz WXQXMQXVTZRDMJ-LBPRGKRZSA-N 1 0 335.477 2.620 50 0 EFAARO CCN(Cc1nc(C)no1)C(=O)NC[C@H](c1cccc(C)c1)[NH+](C)C ZINC000534637028 478164289 /nfs/dbraw/zinc/16/42/89/478164289.db2.gz GZFPXJFDEPFUPU-MRXNPFEDSA-N 1 0 345.447 2.521 50 0 EFAARO Cc1ccc([C@H](C)NC(=O)N(C)CC2CC[NH+](CCO)CC2)cc1C ZINC000534644776 478165807 /nfs/dbraw/zinc/16/58/07/478165807.db2.gz GGTCCXGFAZMKJP-KRWDZBQOSA-N 1 0 347.503 2.710 50 0 EFAARO C[C@H](NC(=O)N1CCC[N@H+](C)C2(CCN(C)CC2)C1)c1ccccc1 ZINC000534655118 478167494 /nfs/dbraw/zinc/16/74/94/478167494.db2.gz CJJWJQUJTFPKSD-KRWDZBQOSA-N 1 0 344.503 2.559 50 0 EFAARO CCN(Cc1ccc(C)o1)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584886293 479270634 /nfs/dbraw/zinc/27/06/34/479270634.db2.gz BYDWZQPLNZOEFA-IYBDPMFKSA-N 1 0 337.464 2.619 50 0 EFAARO COc1cc(C)c(-c2cccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2)cn1 ZINC000584885198 479270953 /nfs/dbraw/zinc/27/09/53/479270953.db2.gz VTVNGSIJJPANCR-QGZVFWFLSA-N 1 0 339.439 2.842 50 0 EFAARO CCc1nccn1C[C@H](C)[NH2+]Cc1cnn(-c2ccccc2OC)c1 ZINC000584887599 479271552 /nfs/dbraw/zinc/27/15/52/479271552.db2.gz IKMANDNXPFFJPH-HNNXBMFYSA-N 1 0 339.443 2.818 50 0 EFAARO c1ccc(N2CC[C@H]([NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000584887978 479273174 /nfs/dbraw/zinc/27/31/74/479273174.db2.gz ZPWAQNKACBIANA-FQEVSTJZSA-N 1 0 336.483 2.915 50 0 EFAARO Fc1ccc(N2CCC([NH2+]CCc3noc(C4CC4)n3)CC2)cc1 ZINC000584896368 479274412 /nfs/dbraw/zinc/27/44/12/479274412.db2.gz WGEULKDZXUTZPB-UHFFFAOYSA-N 1 0 330.407 2.887 50 0 EFAARO CCOC(=O)N1CCC([NH2+][C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000584893926 479274422 /nfs/dbraw/zinc/27/44/22/479274422.db2.gz SOMMQIIDESGZNE-SFHVURJKSA-N 1 0 342.443 2.835 50 0 EFAARO CCN(Cc1noc(C2CC2)n1)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000584894081 479274483 /nfs/dbraw/zinc/27/44/83/479274483.db2.gz YYXQQFMIQPKAMP-CQSZACIVSA-N 1 0 349.479 2.601 50 0 EFAARO C[NH+](C)CC[C@H](NC(=O)N1CC(c2ccccn2)C1)c1ccccc1 ZINC000584898409 479275372 /nfs/dbraw/zinc/27/53/72/479275372.db2.gz CWARKSCGLLHOTI-IBGZPJMESA-N 1 0 338.455 2.883 50 0 EFAARO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3ccc(C)cc3C)CC2)C1 ZINC000584899268 479275463 /nfs/dbraw/zinc/27/54/63/479275463.db2.gz QJNIHUDAURRRLR-GOSISDBHSA-N 1 0 344.503 2.619 50 0 EFAARO C[NH+](C)[C@H]1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000584900971 479277174 /nfs/dbraw/zinc/27/71/74/479277174.db2.gz GWRHZMYMYCOUFD-AWEZNQCLSA-N 1 0 348.447 2.795 50 0 EFAARO CN(C)c1ncc(C[NH+]2CCC3(CC2)OCCO3)c2ccccc21 ZINC000585136849 479296138 /nfs/dbraw/zinc/29/61/38/479296138.db2.gz VTTQZUGQLUZMQP-UHFFFAOYSA-N 1 0 327.428 2.640 50 0 EFAARO CN(C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CCSC1 ZINC000585136994 479296282 /nfs/dbraw/zinc/29/62/82/479296282.db2.gz BSMBZPLCRIPUFO-KRWDZBQOSA-N 1 0 342.468 2.894 50 0 EFAARO O=C(NCCc1ccccc1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575614941 479455007 /nfs/dbraw/zinc/45/50/07/479455007.db2.gz AJGHDCOMCJZXJW-UHFFFAOYSA-N 1 0 347.528 2.842 50 0 EFAARO Cc1nnc(NCC2([NH+]3CCN(C)CC3)CCCC2)c2ccccc12 ZINC000534639198 485550748 /nfs/dbraw/zinc/55/07/48/485550748.db2.gz FPKWTLRKPUIWGL-UHFFFAOYSA-N 1 0 339.487 2.910 50 0 EFAARO COCCN(Cc1ccncc1)C(=O)C1CC[NH+](C2CCCC2)CC1 ZINC000097480219 523768095 /nfs/dbraw/zinc/76/80/95/523768095.db2.gz ZQLPRPJFGNEGIU-UHFFFAOYSA-N 1 0 345.487 2.711 50 0 EFAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH+]1CCCCCC1 ZINC000012836720 527037554 /nfs/dbraw/zinc/03/75/54/527037554.db2.gz VMRDMBGCXRKBRL-OAQYLSRUSA-N 1 0 344.499 2.849 50 0 EFAARO Cc1nc2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCCC3)ccc2s1 ZINC000244899519 527117573 /nfs/dbraw/zinc/11/75/73/527117573.db2.gz ZLAFPKCYPZUZAG-OAHLLOKOSA-N 1 0 347.484 2.571 50 0 EFAARO [NH3+][C@H]1C[C@H](c2cc(N3CCCN(c4ccc(F)cc4)CC3)ncn2)C1 ZINC000244724185 527418749 /nfs/dbraw/zinc/41/87/49/527418749.db2.gz MPKNCUZXTVDWCW-KOMQPUFPSA-N 1 0 341.434 2.537 50 0 EFAARO CC(C)n1cnnc1CCNC(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000244734714 535106937 /nfs/dbraw/zinc/10/69/37/535106937.db2.gz NKNTYWCIRLASCJ-UHFFFAOYSA-N 1 0 347.507 2.707 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)CC1 ZINC000244734951 535350674 /nfs/dbraw/zinc/35/06/74/535350674.db2.gz NONLKMTWJPEUDQ-FUHIMQAGSA-N 1 0 345.487 2.522 50 0 EFAARO CCOc1ccc2[nH]c(=O)c(CN3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000253531378 535445788 /nfs/dbraw/zinc/44/57/88/535445788.db2.gz AEZGZSSEZJSNKE-INIZCTEOSA-N 1 0 327.428 2.619 50 0 EFAARO CC[NH+]1CCC(N(CCc2ccccn2)C(=O)[C@@H]2CCCCO2)CC1 ZINC000214982731 535460217 /nfs/dbraw/zinc/46/02/17/535460217.db2.gz HPKDOMASSJWFNA-IBGZPJMESA-N 1 0 345.487 2.506 50 0 EFAARO CC[NH+]1CCC(N(CCc2ccccn2)Cc2coc(C)n2)CC1 ZINC000216347994 535461161 /nfs/dbraw/zinc/46/11/61/535461161.db2.gz 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Cc1cc(C)n(CC[N@@H+](C)Cc2ccc(OC(C)C)c(CO)c2)n1 ZINC000670471166 547496202 /nfs/dbraw/zinc/49/62/02/547496202.db2.gz UAXAPYYOAGMDSM-UHFFFAOYSA-N 1 0 331.460 2.911 50 0 EFAARO CCc1cc(C[NH+]2CCC(c3nnc4n3CCCCC4)CC2)on1 ZINC000670472996 547496221 /nfs/dbraw/zinc/49/62/21/547496221.db2.gz ZCKYEIYIWSHGTO-UHFFFAOYSA-N 1 0 329.448 2.935 50 0 EFAARO c1ccc(N2CC[C@H]([NH2+]CC3(N4CCOCC4)CCCCC3)C2)cc1 ZINC000674877478 548170291 /nfs/dbraw/zinc/17/02/91/548170291.db2.gz UMICRFCDEURHRI-IBGZPJMESA-N 1 0 343.515 2.890 50 0 EFAARO NC(=O)c1c[nH]nc1[C@H]1CCCC[N@@H+]1CC1CCC(F)(F)CC1 ZINC000685939961 550196929 /nfs/dbraw/zinc/19/69/29/550196929.db2.gz WLLZDUJGJNHBIN-CYBMUJFWSA-N 1 0 326.391 2.861 50 0 EFAARO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000685940646 550197006 /nfs/dbraw/zinc/19/70/06/550197006.db2.gz QPHPNOIAWWIUJD-BLLLJJGKSA-N 1 0 340.489 2.991 50 0 EFAARO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000685940648 550197022 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C[C@H]1CCCC[N@@H+]1C1CN(c2nnc(CSc3ccncc3)o2)C1 ZINC001772706443 1249292043 /nfs/dbraw/zinc/29/20/43/1249292043.db2.gz SABHCYSLZUSRQI-ZDUSSCGKSA-N 1 0 345.472 2.820 50 0 EFAARO Cc1cc(C)cc(N2CCC([N@H+]3C[C@@H]4CCCN4C(=O)[C@H]3C)CC2)c1 ZINC001772706851 1249292142 /nfs/dbraw/zinc/29/21/42/1249292142.db2.gz PRBAPUXZEZJTEM-MJGOQNOKSA-N 1 0 341.499 2.967 50 0 EFAARO O=C(N[C@H]1CCC[N@@H+]2CCC[C@@H]12)c1cc(O)cc(OCC2CC2)c1 ZINC001772710104 1249299052 /nfs/dbraw/zinc/29/90/52/1249299052.db2.gz VCZZKDXVKVRXFD-ROUUACIJSA-N 1 0 330.428 2.538 50 0 EFAARO O=C(COc1ccc(C[N@@H+]2C[C@@H]3[C@H](O)C[C@@H]3C2)cc1)c1ccccc1 ZINC001772711504 1249300989 /nfs/dbraw/zinc/30/09/89/1249300989.db2.gz ZLSCZEBOTUDOEU-YZGWKJHDSA-N 1 0 337.419 2.761 50 0 EFAARO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4COCC[C@]4(CO)C3)o2)cc1 ZINC001772712475 1249302115 /nfs/dbraw/zinc/30/21/15/1249302115.db2.gz SONORHNEECVVCV-OXQOHEQNSA-N 1 0 343.423 2.786 50 0 EFAARO O=C(C[C@H]1C(=O)NCC[N@H+]1CC1CCCCC1)N1CCCCCCC1 ZINC000012750396 1265468892 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Cc1noc([C@H]2CCCCN2C(=O)c2ccc(C[NH+]3CCCC3)o2)n1 ZINC000825300780 1267056531 /nfs/dbraw/zinc/05/65/31/1267056531.db2.gz OQASFFFBPZEMSH-OAHLLOKOSA-N 1 0 344.415 2.934 50 0 EFAARO Cn1ccnc1-c1ccc(NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nn1 ZINC000825641658 1267128085 /nfs/dbraw/zinc/12/80/85/1267128085.db2.gz DYNRKIXZQDDRNK-GOEBONIOSA-N 1 0 326.448 2.554 50 0 EFAARO [NH3+][C@H]1CCN(C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)C1 ZINC000826951601 1267335481 /nfs/dbraw/zinc/33/54/81/1267335481.db2.gz GAHPHDMUYUQDFN-NRXISQOPSA-N 1 0 341.459 2.579 50 0 EFAARO O=C(NCCCSCc1ccc(Cl)cc1)N[C@@H]1CC[NH2+]C1 ZINC000828038239 1267573189 /nfs/dbraw/zinc/57/31/89/1267573189.db2.gz YOMZXOORKPOLSM-CQSZACIVSA-N 1 0 327.881 2.624 50 0 EFAARO O=C(NCCCC[NH+]1CCCCCC1)c1cc(C(F)(F)F)n[nH]1 ZINC000828144040 1267619438 /nfs/dbraw/zinc/61/94/38/1267619438.db2.gz CDISYOMJFXOLBS-UHFFFAOYSA-N 1 0 332.370 2.815 50 0 EFAARO O=C(NC1CC[NH+](Cc2cccs2)CC1)c1cn2ccsc2n1 ZINC000828197195 1267649054 /nfs/dbraw/zinc/64/90/54/1267649054.db2.gz DMHWPDZSWWWUJT-UHFFFAOYSA-N 1 0 346.481 2.852 50 0 EFAARO Cc1ccc(NC(C)(C)C(=O)NCCC[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000828710758 1267883553 /nfs/dbraw/zinc/88/35/53/1267883553.db2.gz BKJDCSIBYDMNPH-SFHVURJKSA-N 1 0 347.503 2.539 50 0 EFAARO Cc1cc(NCC[N@@H+]2CCC[C@@H](CO)C2)c2cc(F)cc(F)c2n1 ZINC000828711278 1267884565 /nfs/dbraw/zinc/88/45/65/1267884565.db2.gz XYTNVIZFEMKVAH-CYBMUJFWSA-N 1 0 335.398 2.938 50 0 EFAARO O=C(C[NH+]1CCCCC1)NCc1cccnc1-n1cnc2ccccc21 ZINC000012445264 1268413483 /nfs/dbraw/zinc/41/34/83/1268413483.db2.gz JLUYQEKNAAVGAX-UHFFFAOYSA-N 1 0 349.438 2.523 50 0 EFAARO Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC(C)(C)C)C3=O)n1C ZINC000012444482 1268432371 /nfs/dbraw/zinc/43/23/71/1268432371.db2.gz URFXDZGFHVDBBZ-LJQANCHMSA-N 1 0 332.492 2.589 50 0 EFAARO O=C(/C=C/c1ccccn1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012460070 1268561390 /nfs/dbraw/zinc/56/13/90/1268561390.db2.gz CPEOQZUXCAANTD-YVNCXZRQSA-N 1 0 335.451 2.918 50 0 EFAARO CC(C)(C)c1ccc(=O)n(CC2CC[NH+](C[C@H]3CCCOC3)CC2)n1 ZINC000585500023 1281872478 /nfs/dbraw/zinc/87/24/78/1281872478.db2.gz XCQUHLILFPFZFY-QGZVFWFLSA-N 1 0 347.503 2.679 50 0 EFAARO CC[NH+]1CCC(N(CCc2ccccn2)Cc2[nH]cnc2C)CC1 ZINC000952869606 1284890940 /nfs/dbraw/zinc/89/09/40/1284890940.db2.gz KBVFILHVBXFHKA-UHFFFAOYSA-N 1 0 327.476 2.642 50 0 EFAARO Cc1cccc(CN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C2CCCCC2)c1 ZINC000952871674 1284895302 /nfs/dbraw/zinc/89/53/02/1284895302.db2.gz APTJSWGJAWJAAM-IBGZPJMESA-N 1 0 340.471 2.949 50 0 EFAARO Cc1ncsc1CC[N@@H+](C)C1CCN(C(=O)c2cccnc2)CC1 ZINC000952873636 1284897933 /nfs/dbraw/zinc/89/79/33/1284897933.db2.gz MPDOEQJGJNREME-UHFFFAOYSA-N 1 0 344.484 2.626 50 0 EFAARO Cc1c(NC(=O)C[C@H]([NH3+])c2ccccc2)cccc1C(=O)N(C)C ZINC000952962330 1284919063 /nfs/dbraw/zinc/91/90/63/1284919063.db2.gz DPUZABPZQVPILK-INIZCTEOSA-N 1 0 325.412 2.725 50 0 EFAARO FC(F)(F)Cn1nc(COc2ccccc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000952962264 1284919119 /nfs/dbraw/zinc/91/91/19/1284919119.db2.gz BOHWGQQCFQTWAZ-GFCCVEGCSA-N 1 0 340.349 2.886 50 0 EFAARO CC1=C(C(=O)N2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)OCCO1 ZINC000952964184 1284923324 /nfs/dbraw/zinc/92/33/24/1284923324.db2.gz ODFXGZYTOHIQKG-QGZVFWFLSA-N 1 0 330.428 2.690 50 0 EFAARO O=C(N[C@@H]1COc2ccccc2C1)c1ccc(C[NH+]2CCCC2)o1 ZINC000952970158 1284934814 /nfs/dbraw/zinc/93/48/14/1284934814.db2.gz LJJHQERLICCEII-HNNXBMFYSA-N 1 0 326.396 2.609 50 0 EFAARO CCCc1cc(C[NH2+][C@H]2CCC(=O)N(Cc3ccccc3)C2)on1 ZINC000952970212 1284935263 /nfs/dbraw/zinc/93/52/63/1284935263.db2.gz LLYMLVZHJKMWQN-KRWDZBQOSA-N 1 0 327.428 2.908 50 0 EFAARO C[NH2+]Cc1nc(Cc2ccccc2OC)nn1-c1ccc(OC)cc1 ZINC000952969496 1284935704 /nfs/dbraw/zinc/93/57/04/1284935704.db2.gz NQXXIQZLFGAVNS-UHFFFAOYSA-N 1 0 338.411 2.595 50 0 EFAARO Cc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CCCC2)c(C)s1 ZINC000952972073 1284943765 /nfs/dbraw/zinc/94/37/65/1284943765.db2.gz MGJHZNHDIGGBFN-UHFFFAOYSA-N 1 0 330.519 2.860 50 0 EFAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1scc2c1CCCC2 ZINC000952977239 1284951748 /nfs/dbraw/zinc/95/17/48/1284951748.db2.gz ADODRFJVOWPKPO-OAHLLOKOSA-N 1 0 336.501 2.810 50 0 EFAARO CC1=C(C(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)OCCO1 ZINC000952978242 1284956081 /nfs/dbraw/zinc/95/60/81/1284956081.db2.gz PZBCVWOLKOSGHZ-UHFFFAOYSA-N 1 0 330.428 2.519 50 0 EFAARO Cc1nc(CNCC[N@@H+]2CC[C@H](c3ccccc3C)C2)n(C)c1C ZINC000952979650 1284958790 /nfs/dbraw/zinc/95/87/90/1284958790.db2.gz OAHGUBYEPJUFRN-SFHVURJKSA-N 1 0 326.488 2.924 50 0 EFAARO C[NH+](C)Cc1ccccc1CNC(=O)/C=C/c1cc(CO)cs1 ZINC000952980789 1284963421 /nfs/dbraw/zinc/96/34/21/1284963421.db2.gz RFZZAHTYSLOQKL-BQYQJAHWSA-N 1 0 330.453 2.632 50 0 EFAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000952981378 1284976537 /nfs/dbraw/zinc/97/65/37/1284976537.db2.gz MKNZLZBOQFNIHC-AWEZNQCLSA-N 1 0 328.416 2.618 50 0 EFAARO COc1cc(CN(C(=O)C[NH+]2CCCCCC2)C2CC2)ccc1O ZINC000952981760 1284978257 /nfs/dbraw/zinc/97/82/57/1284978257.db2.gz WHMCLUHLUBRNQD-UHFFFAOYSA-N 1 0 332.444 2.768 50 0 EFAARO O=c1[nH]c2cc(Cl)ccc2cc1CNCCC[N@H+]1CCC[C@@H](O)C1 ZINC000952984363 1284982417 /nfs/dbraw/zinc/98/24/17/1284982417.db2.gz ZXFHFHCZSZAZHE-MRXNPFEDSA-N 1 0 349.862 2.530 50 0 EFAARO Cc1csc(S(=O)(=O)N(C)CCC[NH+]2CCCCCC2)c1 ZINC000952984823 1284984274 /nfs/dbraw/zinc/98/42/74/1284984274.db2.gz SOQQDVWZRQPCRG-UHFFFAOYSA-N 1 0 330.519 2.943 50 0 EFAARO [NH3+]CCc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000952986233 1284987100 /nfs/dbraw/zinc/98/71/00/1284987100.db2.gz FZXCOSWPPGYXKS-IBGZPJMESA-N 1 0 340.423 2.998 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)COCc2ccccc2)CC1 ZINC000091943118 1290617181 /nfs/dbraw/zinc/61/71/81/1290617181.db2.gz VIIIDROCJPUDFW-UHFFFAOYSA-N 1 0 339.439 2.646 50 0 EFAARO CC1CCC([C@H]([NH3+])[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000958527873 1292867218 /nfs/dbraw/zinc/86/72/18/1292867218.db2.gz IBYMSXZKVQMSJW-GULCKSEBSA-N 1 0 326.481 2.902 50 0 EFAARO Cc1ncsc1C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012703428 1307060620 /nfs/dbraw/zinc/06/06/20/1307060620.db2.gz OUUBDPQOHGIXJM-INIZCTEOSA-N 1 0 329.469 2.888 50 0 EFAARO CCCC[NH2+][C@H]1CCc2c(c(C(=O)NC)nn2Cc2ccccc2)C1 ZINC000014748703 1311232975 /nfs/dbraw/zinc/23/29/75/1311232975.db2.gz JDYCHMQCMOOBKQ-INIZCTEOSA-N 1 0 340.471 2.538 50 0 EFAARO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH2+]C1CCCCCC1 ZINC000014962313 1311408677 /nfs/dbraw/zinc/40/86/77/1311408677.db2.gz YYUSQODCOUITKD-OAQYLSRUSA-N 1 0 344.499 2.895 50 0 EFAARO COc1ccc(C[NH2+][C@H]2CC(=O)N(CC3CCCCC3)C2)cc1O ZINC000014968005 1311408785 /nfs/dbraw/zinc/40/87/85/1311408785.db2.gz RLOOIJOAZDNZET-INIZCTEOSA-N 1 0 332.444 2.672 50 0 EFAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NC3CCC3)nc2)C1 ZINC000014967129 1311408922 /nfs/dbraw/zinc/40/89/22/1311408922.db2.gz ZXJODNJYYBMWGS-HNNXBMFYSA-N 1 0 330.476 2.754 50 0 EFAARO O=C(Nc1ccc2c(c1)CN(Cc1ccoc1)CC2)[C@@H]1CCCO1 ZINC000014976194 1311413929 /nfs/dbraw/zinc/41/39/29/1311413929.db2.gz VFFPOVXFMUUNGA-SFHVURJKSA-N 1 0 326.396 2.955 50 0 EFAARO O=C(CCN1CCCCC1=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000015065988 1311466404 /nfs/dbraw/zinc/46/64/04/1311466404.db2.gz RUZULYRAZYBIAP-QGZVFWFLSA-N 1 0 349.519 2.692 50 0 EFAARO CSCCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000015066095 1311466610 /nfs/dbraw/zinc/46/66/10/1311466610.db2.gz RUBMQVVLEOBQKA-SFHVURJKSA-N 1 0 347.528 2.553 50 0 EFAARO C[NH+](C)CCn1ccc(-c2cccc(-c3cnn4cccnc34)c2)n1 ZINC000020168727 1314605288 /nfs/dbraw/zinc/60/52/88/1314605288.db2.gz RDJXDSSSGLBIHE-UHFFFAOYSA-N 1 0 332.411 2.821 50 0 EFAARO C[NH+](C)CCNc1nccc(-c2cnn(-c3cccc(Cl)c3)c2)n1 ZINC000020254800 1314620808 /nfs/dbraw/zinc/62/08/08/1314620808.db2.gz SASDYJOZPHRWFI-UHFFFAOYSA-N 1 0 342.834 2.956 50 0 EFAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCc2cccs2)c(=O)[nH]1 ZINC000020453100 1314668239 /nfs/dbraw/zinc/66/82/39/1314668239.db2.gz ODRZPPVMTBEWOY-CYBMUJFWSA-N 1 0 345.468 2.741 50 0 EFAARO Fc1cccc([C@]2(C[NH2+]CCc3[nH]nc4c3CCCC4)CCOC2)c1 ZINC000020999072 1314755731 /nfs/dbraw/zinc/75/57/31/1314755731.db2.gz FGEUIETXJINKCO-FQEVSTJZSA-N 1 0 343.446 2.918 50 0 EFAARO C[C@H](Cc1cccs1)[NH2+]C1CCN(C(=O)c2cccnc2)CC1 ZINC001506395079 1405748869 /nfs/dbraw/zinc/74/88/69/1405748869.db2.gz BFVPXVNBKMBSOJ-CQSZACIVSA-N 1 0 329.469 2.969 50 0 EFAARO Cc1cccc(OC2C[NH+]([C@@H]3CCC(=O)N(CC4CC4)CC3)C2)c1 ZINC001506397349 1405749433 /nfs/dbraw/zinc/74/94/33/1405749433.db2.gz QJZGXJPGINJTHN-QGZVFWFLSA-N 1 0 328.456 2.849 50 0 EFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2ccccc2CN2CCCC2=O)n1 ZINC001506397286 1405749856 /nfs/dbraw/zinc/74/98/56/1405749856.db2.gz RKSVAXAKFDIAJW-MRXNPFEDSA-N 1 0 340.471 2.801 50 0 EFAARO Cc1c(NC(=O)C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)cnn1C ZINC001506404883 1405753223 /nfs/dbraw/zinc/75/32/23/1405753223.db2.gz JKSPFTNUBSXTGM-QGZVFWFLSA-N 1 0 341.459 2.549 50 0 EFAARO CCc1nccn1C[C@@H](C)[NH2+]CCC(=O)Nc1ccc(F)c(C)c1 ZINC001506405993 1405754118 /nfs/dbraw/zinc/75/41/18/1405754118.db2.gz DVWWMFONZSFLKQ-CQSZACIVSA-N 1 0 332.423 2.900 50 0 EFAARO O=C(c1ccoc1)N1CCC[N@@H+]([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001506412375 1405758114 /nfs/dbraw/zinc/75/81/14/1405758114.db2.gz CWINNNSMLIGUIJ-LJQANCHMSA-N 1 0 339.439 2.706 50 0 EFAARO Cc1cccnc1CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2)CC1 ZINC001506415465 1405758705 /nfs/dbraw/zinc/75/87/05/1405758705.db2.gz CAOAXUNSVJXSEP-FQEVSTJZSA-N 1 0 336.483 2.787 50 0 EFAARO COc1cc(OC)nc(NC[C@H](c2cccnc2)[NH+]2CCCCC2)n1 ZINC001506415337 1405759002 /nfs/dbraw/zinc/75/90/02/1405759002.db2.gz AUZLBUOHMGKKQO-OAHLLOKOSA-N 1 0 343.431 2.528 50 0 EFAARO Cc1ccc(N2CCC(N3CC[NH+](C4CCOCC4)CC3)CC2)cc1 ZINC001506416152 1405759061 /nfs/dbraw/zinc/75/90/61/1405759061.db2.gz IQVRRVWORCFMEX-UHFFFAOYSA-N 1 0 343.515 2.760 50 0 EFAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1CCc1cccs1 ZINC001506415472 1405759137 /nfs/dbraw/zinc/75/91/37/1405759137.db2.gz XWYVYRUMJIVGBI-OAHLLOKOSA-N 1 0 344.546 2.817 50 0 EFAARO COCC[N@@H+]1CCC[C@@H](CNc2nnc(-c3ccccc3)s2)C1 ZINC001506416482 1405759761 /nfs/dbraw/zinc/75/97/61/1405759761.db2.gz BSMGZXRTUULHBG-AWEZNQCLSA-N 1 0 332.473 2.975 50 0 EFAARO O=C1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CCN1CC1CC1 ZINC001506419532 1405760635 /nfs/dbraw/zinc/76/06/35/1405760635.db2.gz FDFHNCNJKOIUGX-KRWDZBQOSA-N 1 0 344.455 2.729 50 0 EFAARO C[C@@H]1CN(C2CC[NH+]([C@@H]3CCN(c4ccccc4)C3)CC2)C[C@H](C)O1 ZINC001506421254 1405760672 /nfs/dbraw/zinc/76/06/72/1405760672.db2.gz NUELCJHTNQANCV-LVCYWYKZSA-N 1 0 343.515 2.839 50 0 EFAARO Cc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccc(O)cc3)CC2)cc1 ZINC001506418949 1405761162 /nfs/dbraw/zinc/76/11/62/1405761162.db2.gz VMAXVLTYYWBZTL-HXUWFJFHSA-N 1 0 326.440 2.993 50 0 EFAARO O=C(c1cccs1)N1CCC[C@H]([NH2+]C2CSCCSC2)C1 ZINC001506429649 1405766831 /nfs/dbraw/zinc/76/68/31/1405766831.db2.gz VPGRHPXUMJWAGT-LBPRGKRZSA-N 1 0 342.555 2.791 50 0 EFAARO CCN1C[C@@H](C[N@H+](C)C2CCN(c3ccc(F)cc3C)CC2)CC1=O ZINC001506431405 1405768070 /nfs/dbraw/zinc/76/80/70/1405768070.db2.gz NPEPVGWCLPFTCW-MRXNPFEDSA-N 1 0 347.478 2.903 50 0 EFAARO CO[C@@H]1CCC[C@]12CCC[N@H+](Cc1cc(=O)n3ccc(C)cc3n1)C2 ZINC001704297505 1417900158 /nfs/dbraw/zinc/90/01/58/1417900158.db2.gz AIAIZKGPQIYLAE-YLJYHZDGSA-N 1 0 341.455 2.784 50 0 EFAARO COc1cc2c(cc1OC)C1(CC[NH+](C[C@H]3CCOC3)CC1)OCC2 ZINC001704297400 1417900621 /nfs/dbraw/zinc/90/06/21/1417900621.db2.gz QAMWOCNUSGPZQX-OAHLLOKOSA-N 1 0 347.455 2.604 50 0 EFAARO C[N@@H+]1CCC[C@]2(CO)CCN(Cc3cc(Cl)ccc3F)C[C@@H]12 ZINC001704299365 1417901180 /nfs/dbraw/zinc/90/11/80/1417901180.db2.gz QXYVSIFQQJQIFE-IAGOWNOFSA-N 1 0 326.843 2.758 50 0 EFAARO CCNC(=O)c1ccc(NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)nc1 ZINC001704300942 1417901226 /nfs/dbraw/zinc/90/12/26/1417901226.db2.gz BZLMJIXSQPPVGQ-HNNXBMFYSA-N 1 0 342.443 2.748 50 0 EFAARO Cc1cc(C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2O)[nH]n1 ZINC001704299255 1417901511 /nfs/dbraw/zinc/90/15/11/1417901511.db2.gz PKXFYUHTLVIGOQ-CZUORRHYSA-N 1 0 339.361 2.772 50 0 EFAARO Cc1ccsc1[C@@H](CNc1nc(C)c(C)cc1C(N)=O)[NH+](C)C ZINC001704304390 1417902006 /nfs/dbraw/zinc/90/20/06/1417902006.db2.gz QXUVUMAWHKNHQX-CQSZACIVSA-N 1 0 332.473 2.882 50 0 EFAARO C[NH+](C)CCN(Cc1c[nH]cn1)C(=O)CCc1ccccc1Cl ZINC001704305412 1417902023 /nfs/dbraw/zinc/90/20/23/1417902023.db2.gz VPHNJUBVOMCNPH-UHFFFAOYSA-N 1 0 334.851 2.586 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(C)c1 ZINC001704309182 1417903236 /nfs/dbraw/zinc/90/32/36/1417903236.db2.gz KDFLCFMVYGKHEG-UHFFFAOYSA-N 1 0 334.851 2.884 50 0 EFAARO CC(C)c1cccc(C(=O)N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)c1 ZINC001704311549 1417904282 /nfs/dbraw/zinc/90/42/82/1417904282.db2.gz BFYVUTYMHFYZTQ-UYAOXDASSA-N 1 0 330.472 2.729 50 0 EFAARO Cc1nccn1CCC[N@@H+]1CCC[C@]2(CCc3cnc(C)nc32)C1 ZINC001704313688 1417904539 /nfs/dbraw/zinc/90/45/39/1417904539.db2.gz NEXOGOQCUCAABK-IBGZPJMESA-N 1 0 325.460 2.660 50 0 EFAARO Cc1cc(NCCNS(C)(=O)=O)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC001704315738 1417905434 /nfs/dbraw/zinc/90/54/34/1417905434.db2.gz UYIQGWHVEJZWPB-UHFFFAOYSA-N 1 0 347.362 2.523 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)Cc1c(C)cc(C)cc1C ZINC001704335612 1417909817 /nfs/dbraw/zinc/90/98/17/1417909817.db2.gz PGLWVXSLLAVNHC-UHFFFAOYSA-N 1 0 342.487 2.776 50 0 EFAARO CC(C)Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2c[nH]cn2)cc1 ZINC001704337367 1417910238 /nfs/dbraw/zinc/91/02/38/1417910238.db2.gz RMSCNCHWXUXGIY-UHFFFAOYSA-N 1 0 328.460 2.812 50 0 EFAARO C[C@]1(O)CCOC2(CC[NH+](Cc3cccc(O)c3Cl)CC2)C1 ZINC001704336852 1417910279 /nfs/dbraw/zinc/91/02/79/1417910279.db2.gz SHVVCVGZENZEMN-INIZCTEOSA-N 1 0 325.836 2.942 50 0 EFAARO Cc1cc(C)c(C(=O)N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)cc1C ZINC001704337451 1417910587 /nfs/dbraw/zinc/91/05/87/1417910587.db2.gz ZPHWLVFSZOFFCN-UYAOXDASSA-N 1 0 330.472 2.531 50 0 EFAARO C[C@@]1(O)CCOC2(CC[NH+](Cc3cccc(O)c3Cl)CC2)C1 ZINC001704336853 1417910652 /nfs/dbraw/zinc/91/06/52/1417910652.db2.gz SHVVCVGZENZEMN-MRXNPFEDSA-N 1 0 325.836 2.942 50 0 EFAARO C[NH+](C)CCN(Cc1c[nH]cn1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC001704340263 1417910967 /nfs/dbraw/zinc/91/09/67/1417910967.db2.gz RUWLXKMKVPTECA-UHFFFAOYSA-N 1 0 340.349 2.633 50 0 EFAARO CSCC[NH+]1CCC(Nc2ncccc2C(=O)N2CCCC2)CC1 ZINC001704338745 1417911362 /nfs/dbraw/zinc/91/13/62/1417911362.db2.gz YQPMXVUVMBKNQE-UHFFFAOYSA-N 1 0 348.516 2.557 50 0 EFAARO Cc1cccc(C[N@H+]2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)n1 ZINC001704340134 1417911378 /nfs/dbraw/zinc/91/13/78/1417911378.db2.gz OJWWJPYZADQSFI-HXUWFJFHSA-N 1 0 337.471 2.726 50 0 EFAARO CN(C)c1ncc2c(n1)[C@@]1(CC2)CCC[N@H+](CCC(F)(F)F)C1 ZINC001704339130 1417911561 /nfs/dbraw/zinc/91/15/61/1417911561.db2.gz DWXKKULIPNLVPG-OAHLLOKOSA-N 1 0 328.382 2.775 50 0 EFAARO Cc1cc(N2CCc3[nH]nc(C4CC4)c3C2)nc(N2CCCCC2)[nH+]1 ZINC001704351089 1417914684 /nfs/dbraw/zinc/91/46/84/1417914684.db2.gz SKRPSPSMPKKNMC-UHFFFAOYSA-N 1 0 338.459 2.939 50 0 EFAARO O=C(c1cccnc1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000238877466 1418912926 /nfs/dbraw/zinc/91/29/26/1418912926.db2.gz OKLBBHLVELSUAE-UHFFFAOYSA-N 1 0 327.453 2.806 50 0 EFAARO Fc1ccc2nc(C[N@@H+]3CCC[C@H](N4CCOCC4)C3)ccc2c1 ZINC000022851692 715248745 /nfs/dbraw/zinc/24/87/45/715248745.db2.gz XMJORVCLWKQPKN-SFHVURJKSA-N 1 0 329.419 2.671 50 0 EFAARO CCN(CC)CC[N@H+](C)[C@H]1CCC(=O)N(Cc2ccc(F)cc2)CC1 ZINC000023360698 718093905 /nfs/dbraw/zinc/09/39/05/718093905.db2.gz WDUWOLJGQZREOM-IBGZPJMESA-N 1 0 349.494 2.980 50 0 EFAARO Cc1ccccc1CN1CC[N@@H+](C2CCSCC2)C[C@@H]1CCO ZINC000023374148 718111717 /nfs/dbraw/zinc/11/17/17/718111717.db2.gz RVLQUATZQNWYKU-IBGZPJMESA-N 1 0 334.529 2.759 50 0 EFAARO O=C(CCc1ccccc1F)N1CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC000989648531 1106515997 /nfs/dbraw/zinc/51/59/97/1106515997.db2.gz PSQVYFBRHTXFJQ-GOSISDBHSA-N 1 0 348.462 2.862 50 0 EFAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000006821278 201700997 /nfs/dbraw/zinc/70/09/97/201700997.db2.gz VLUYLZHWOWYECW-AWEZNQCLSA-N 1 0 334.460 2.831 50 0 EFAARO Cc1ccc2c(C[NH+]3CCC4(CC3)OCCO4)cc(=O)oc2c1C ZINC000054105865 214216634 /nfs/dbraw/zinc/21/66/34/214216634.db2.gz XUIIVLRZOHBCLW-UHFFFAOYSA-N 1 0 329.396 2.749 50 0 EFAARO Cc1cc(C)c2oc(=O)cc(C[NH+]3CCC4(CC3)OCCO4)c2c1 ZINC000054219990 214224880 /nfs/dbraw/zinc/22/48/80/214224880.db2.gz ZAZBRLZLUZJHDR-UHFFFAOYSA-N 1 0 329.396 2.749 50 0 biogenic EFAARO O=C(NCCc1nccs1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174403271 231199440 /nfs/dbraw/zinc/19/94/40/231199440.db2.gz ZGEMLDMBFNAYCW-INIZCTEOSA-N 1 0 329.469 2.857 50 0 EFAARO Cc1nn(C)c2nc(C)nc(N3CCC([C@H](C)[NH+]4CCCC4)CC3)c12 ZINC000072463601 282285206 /nfs/dbraw/zinc/28/52/06/282285206.db2.gz ADZKNNSEAPOFCD-AWEZNQCLSA-N 1 0 342.491 2.681 50 0 EFAARO C[NH+](C)[C@H]1CCN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)C1 ZINC000012756053 201864062 /nfs/dbraw/zinc/86/40/62/201864062.db2.gz CBHRIZYBZUSACJ-KRWDZBQOSA-N 1 0 349.438 2.863 50 0 EFAARO COc1ccc([C@H](O)[C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccc(OC)cc2)cc1 ZINC000013147029 201886238 /nfs/dbraw/zinc/88/62/38/201886238.db2.gz SLMWVFCNXTYGHR-AFHBHXEDSA-N 1 0 345.439 2.837 50 0 EFAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Cc3ccccn3)C2)cc1C ZINC000067755133 215202735 /nfs/dbraw/zinc/20/27/35/215202735.db2.gz PLQIHZVTJMNVKL-IBGZPJMESA-N 1 0 337.467 2.879 50 0 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ZINC000019877258 202023211 /nfs/dbraw/zinc/02/32/11/202023211.db2.gz UXRYMDWSPFQZLK-UHFFFAOYSA-N 1 0 343.515 2.841 50 0 EFAARO c1c(-c2ccccn2)nnn1C[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000019853670 202023404 /nfs/dbraw/zinc/02/34/04/202023404.db2.gz AEBOMXDXRJREDA-HNNXBMFYSA-N 1 0 343.500 2.948 50 0 EFAARO COCc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)o1 ZINC000019840949 202023556 /nfs/dbraw/zinc/02/35/56/202023556.db2.gz UODCZSDOWKVNCT-UHFFFAOYSA-N 1 0 338.411 2.743 50 0 EFAARO CN(C)c1nc(Cl)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000019853189 202023655 /nfs/dbraw/zinc/02/36/55/202023655.db2.gz NFJUMPWYOVKCTM-GFCCVEGCSA-N 1 0 328.913 2.923 50 0 EFAARO CCS(=O)(=O)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019851732 202023768 /nfs/dbraw/zinc/02/37/68/202023768.db2.gz IPCHIQVNMWSZHV-UHFFFAOYSA-N 1 0 336.501 2.680 50 0 EFAARO Fc1ccc(COc2ccccc2C[NH2+]CCN2CCOCC2)cc1 ZINC000019872025 202023960 /nfs/dbraw/zinc/02/39/60/202023960.db2.gz BYLYOENKGMNAIY-UHFFFAOYSA-N 1 0 344.430 2.827 50 0 EFAARO 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/nfs/dbraw/zinc/03/87/99/202038799.db2.gz QDMURLWZAGBWBQ-NSHDSACASA-N 1 0 331.243 2.786 50 0 EFAARO Cc1nn(C(C)C)c(C)c1CN1CC[N@@H+](CC(C)C)[C@@H](CCO)C1 ZINC000020450716 202043009 /nfs/dbraw/zinc/04/30/09/202043009.db2.gz MJVNDVXZNNRLMJ-SFHVURJKSA-N 1 0 336.524 2.605 50 0 EFAARO CCOc1c(CNCC[NH+](C)C)cc(Br)cc1OC ZINC000020477622 202044276 /nfs/dbraw/zinc/04/42/76/202044276.db2.gz TYAVDJJZRBLUDF-UHFFFAOYSA-N 1 0 331.254 2.508 50 0 EFAARO FC(F)(F)c1cccc(OCCCC[NH2+]CCN2CCOCC2)c1 ZINC000020500123 202046880 /nfs/dbraw/zinc/04/68/80/202046880.db2.gz KJTVGEGYZVNZCB-UHFFFAOYSA-N 1 0 346.393 2.786 50 0 EFAARO COc1ccccc1/C=C/CN1CCC[C@@H]([NH+]2CCC(CO)CC2)C1 ZINC000020540505 202047570 /nfs/dbraw/zinc/04/75/70/202047570.db2.gz UYTVVYRBWSRGFO-WWPOYFSUSA-N 1 0 344.499 2.877 50 0 EFAARO CC[NH+]1CCN(CCCOc2ccc(Br)cc2)CC1 ZINC000020390041 202040569 /nfs/dbraw/zinc/04/05/69/202040569.db2.gz NWNPCGDUVMASTR-UHFFFAOYSA-N 1 0 327.266 2.856 50 0 EFAARO O=C(C1C[NH+](C(c2ccccc2)c2ccccc2)C1)N1CCOCC1 ZINC000020730457 202053981 /nfs/dbraw/zinc/05/39/81/202053981.db2.gz NYHNXPLGZOVKML-UHFFFAOYSA-N 1 0 336.435 2.567 50 0 EFAARO CCc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)o1 ZINC000020783000 202055376 /nfs/dbraw/zinc/05/53/76/202055376.db2.gz WDDWYDQAMCYYEE-IBGZPJMESA-N 1 0 342.483 2.953 50 0 EFAARO CCc1ccc(C[NH+]2CCC(Cn3cc([C@@H](C)O)nn3)CC2)s1 ZINC000020601424 202050298 /nfs/dbraw/zinc/05/02/98/202050298.db2.gz HDUUGAMOQIYLLV-CYBMUJFWSA-N 1 0 334.489 2.868 50 0 EFAARO CCc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(OC)cc3)C2=O)cc1 ZINC000020602017 202050607 /nfs/dbraw/zinc/05/06/07/202050607.db2.gz WLRZDKMYOZAWSF-SFHVURJKSA-N 1 0 338.407 2.679 50 0 EFAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C(C)C)CN1Cc1cccc(Cl)c1 ZINC000020992161 202059215 /nfs/dbraw/zinc/05/92/15/202059215.db2.gz SQOQKLCEMGJULA-SJORKVTESA-N 1 0 337.895 2.806 50 0 EFAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)c(C)c1 ZINC000020996952 202060852 /nfs/dbraw/zinc/06/08/52/202060852.db2.gz PWBWOEXLPBGLNA-KRWDZBQOSA-N 1 0 326.444 2.805 50 0 EFAARO COc1ccc(CN(C)C(=O)CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000020999784 202060862 /nfs/dbraw/zinc/06/08/62/202060862.db2.gz YXHSLUYAGKCZOX-HNNXBMFYSA-N 1 0 334.460 2.784 50 0 EFAARO COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3sccc3C)C2=O)cc1 ZINC000022118521 202079878 /nfs/dbraw/zinc/07/98/78/202079878.db2.gz XBXGMRBCFMGAAQ-HNNXBMFYSA-N 1 0 344.436 2.529 50 0 EFAARO COCCc1ncc(CN[C@@H]2CCC[N@H+](CC3CCCCC3)C2)cn1 ZINC000022852414 202093053 /nfs/dbraw/zinc/09/30/53/202093053.db2.gz UIVTZTGJHCBCIK-LJQANCHMSA-N 1 0 346.519 2.800 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2cccc3cccnc32)C[C@@H]1CCO ZINC000022932616 202094541 /nfs/dbraw/zinc/09/45/41/202094541.db2.gz DKTLINJHZYTANH-IBGZPJMESA-N 1 0 327.472 2.759 50 0 EFAARO Cc1ncc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)s1 ZINC000022918866 202095162 /nfs/dbraw/zinc/09/51/62/202095162.db2.gz ZXDLQTOULQIVFE-SFHVURJKSA-N 1 0 345.512 2.829 50 0 EFAARO Cc1cc(OCCOCCN2CC[NH+](C)CC2)cc(C)c1Cl ZINC000022937504 202095853 /nfs/dbraw/zinc/09/58/53/202095853.db2.gz AOBXWZSSIQWARP-UHFFFAOYSA-N 1 0 326.868 2.600 50 0 EFAARO OCC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc(F)cc1 ZINC000023129716 202099723 /nfs/dbraw/zinc/09/97/23/202099723.db2.gz JABONDPCBWYITN-FQEVSTJZSA-N 1 0 328.431 2.895 50 0 EFAARO CCC[N@H+](CCO)Cc1cc(Br)c(OC)cc1OC ZINC000023281882 202102007 /nfs/dbraw/zinc/10/20/07/202102007.db2.gz LWKAYKRZGPOJST-UHFFFAOYSA-N 1 0 332.238 2.671 50 0 EFAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(CCCn2cccn2)C1 ZINC000023375453 202102405 /nfs/dbraw/zinc/10/24/05/202102405.db2.gz HZHNLBVKOXZQRT-HXUWFJFHSA-N 1 0 326.488 2.912 50 0 EFAARO C[C@@H]([NH2+]C[C@@H](O)COCCOc1ccc(F)cc1)c1ccccc1 ZINC000038642109 202143149 /nfs/dbraw/zinc/14/31/49/202143149.db2.gz ZOTRJEOURCINOH-CRAIPNDOSA-N 1 0 333.403 2.933 50 0 EFAARO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C1)C2=O ZINC000026896099 202148564 /nfs/dbraw/zinc/14/85/64/202148564.db2.gz NQUQKYBHLOZWLJ-IYBDPMFKSA-N 1 0 330.428 2.554 50 0 EFAARO CC(C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000027793766 202160177 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CCCCc1nc(Cl)c(CN2C[C@H](O)[C@@H]([N@H+](C)CC(C)C)C2)[nH]1 ZINC000072478689 216256312 /nfs/dbraw/zinc/25/63/12/216256312.db2.gz FZNVGAZAFGGVJE-GJZGRUSLSA-N 1 0 342.915 2.539 50 0 EFAARO CC(C)(O)CCc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000072478351 216256344 /nfs/dbraw/zinc/25/63/44/216256344.db2.gz VVBNGHMHPIXCFC-GOSISDBHSA-N 1 0 330.472 2.700 50 0 EFAARO O=C1CC[C@H]2C[N@@H+](C/C=C/c3ccc(F)cc3)CC[C@H]2N1CCCO ZINC000072478698 216256473 /nfs/dbraw/zinc/25/64/73/216256473.db2.gz QUXBIDRKGZOOMY-PXZIRBJMSA-N 1 0 346.446 2.534 50 0 EFAARO Cc1nc2c(c(N[C@@H](C)c3cnn(-c4ccccc4)c3)n1)CC[NH2+]CC2 ZINC000072478277 216256677 /nfs/dbraw/zinc/25/66/77/216256677.db2.gz OMZKGMWVCBWWQZ-AWEZNQCLSA-N 1 0 348.454 2.832 50 0 EFAARO COc1c(C[NH2+]C2CCN(Cc3ccccc3F)CC2)c(C)nn1C ZINC000058393333 201141832 /nfs/dbraw/zinc/14/18/32/201141832.db2.gz BPGFVFXTUUNMOH-UHFFFAOYSA-N 1 0 346.450 2.630 50 0 EFAARO O[C@H](COCc1ccccc1Cl)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000065464259 201154650 /nfs/dbraw/zinc/15/46/50/201154650.db2.gz LMPZONVYDFCJES-KRWDZBQOSA-N 1 0 349.862 2.820 50 0 EFAARO Cc1nn(C)c(Oc2ccccc2)c1C[NH2+][C@@H](C)CN1CCCC1=O ZINC000065605995 201156487 /nfs/dbraw/zinc/15/64/87/201156487.db2.gz DOKCADOUDMOASA-AWEZNQCLSA-N 1 0 342.443 2.621 50 0 EFAARO CC(C)c1nn(C)c(N(C)C)c1CNC1CC[NH+](CC2CC2)CC1 ZINC000069949933 201168278 /nfs/dbraw/zinc/16/82/78/201168278.db2.gz XMQPXQDHLNRITK-UHFFFAOYSA-N 1 0 333.524 2.574 50 0 EFAARO C[C@H](C(=O)Nc1ccc2c(c1)ncn2CC[NH+](C)C)n1cccc1 ZINC000263588789 201207852 /nfs/dbraw/zinc/20/78/52/201207852.db2.gz YITWDGMIMFPBFC-CQSZACIVSA-N 1 0 325.416 2.599 50 0 EFAARO CC[C@@]1(C)C[C@@](O)(CC[NH2+]Cc2ccc(OC)c(OC)c2)CCO1 ZINC000001774009 201359482 /nfs/dbraw/zinc/35/94/82/201359482.db2.gz LYWNZVLBDLLGAO-RBUKOAKNSA-N 1 0 337.460 2.894 50 0 biogenic EFAARO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000097199408 201382476 /nfs/dbraw/zinc/38/24/76/201382476.db2.gz JNZLTTBCKGRADN-MRXNPFEDSA-N 1 0 336.443 2.692 50 0 EFAARO C[NH+](C)CCN(Cc1ccsc1)Cc1ccccc1OCCO ZINC000055387261 202692097 /nfs/dbraw/zinc/69/20/97/202692097.db2.gz ZHXZVAAJDTXEPB-UHFFFAOYSA-N 1 0 334.485 2.683 50 0 EFAARO O=S(=O)(Cc1ccccc1)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023127699 212352651 /nfs/dbraw/zinc/35/26/51/212352651.db2.gz MVJZCHZOZVJDDX-UHFFFAOYSA-N 1 0 348.468 2.611 50 0 EFAARO COCC[NH+]1CCC(CNC(=O)c2ccc3ccccc3c2)CC1 ZINC000023127938 212352005 /nfs/dbraw/zinc/35/20/05/212352005.db2.gz LYRBBXFSBMESHI-UHFFFAOYSA-N 1 0 326.440 2.928 50 0 EFAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)C(=O)Nc1ccc(F)cc1 ZINC000023127391 212351166 /nfs/dbraw/zinc/35/11/66/212351166.db2.gz PZYJPNUKGRKJLB-UHFFFAOYSA-N 1 0 347.434 2.535 50 0 EFAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccccc2)c2ccc(F)cc2)CC1 ZINC000022794655 212324906 /nfs/dbraw/zinc/32/49/06/212324906.db2.gz LNAXBYJNIHDLFL-IBGZPJMESA-N 1 0 341.430 2.544 50 0 EFAARO CCn1c(C)cc(O)c([C@@H](c2cccnc2)[NH+]2CCCCC2)c1=O ZINC000022697432 212317528 /nfs/dbraw/zinc/31/75/28/212317528.db2.gz CGOGKUBGHTWFEJ-GOSISDBHSA-N 1 0 327.428 2.853 50 0 EFAARO Cc1ccc(-c2cc3n(n2)[C@H]([NH2+]CCc2ccccc2)CNC3=O)cc1 ZINC000263616857 240389493 /nfs/dbraw/zinc/38/94/93/240389493.db2.gz KXINLZZVHQPYTD-FQEVSTJZSA-N 1 0 346.434 2.933 50 0 EFAARO COc1cccc([C@H]2CC[N@@H+]2Cc2cccc(OCC(N)=O)c2)c1 ZINC000215009586 241098732 /nfs/dbraw/zinc/09/87/32/241098732.db2.gz UDUDOMFSHGXRFT-GOSISDBHSA-N 1 0 326.396 2.506 50 0 EFAARO CC(C)=CC[NH+]1CCC2(CC[C@H](CNC(=O)c3cc(C)no3)O2)CC1 ZINC000215050944 241103477 /nfs/dbraw/zinc/10/34/77/241103477.db2.gz RKOHSJOUWMXHOZ-MRXNPFEDSA-N 1 0 347.459 2.693 50 0 EFAARO C[N@@H+]1CCN2CCN(Cc3ccc(Oc4ccccc4)cc3)C[C@@H]2C1 ZINC000215094290 241106212 /nfs/dbraw/zinc/10/62/12/241106212.db2.gz QCQYHTRDPNXWEJ-IBGZPJMESA-N 1 0 337.467 2.911 50 0 EFAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCc3[nH]c(-c4ccc(Cl)cc4)nc3C2)C1 ZINC000215251661 241115061 /nfs/dbraw/zinc/11/50/61/241115061.db2.gz ABXLBMILKCMIOR-GXTWGEPZSA-N 1 0 344.846 2.742 50 0 EFAARO C[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000215281348 241116664 /nfs/dbraw/zinc/11/66/64/241116664.db2.gz QSZXEWKMZZQVLH-NRFANRHFSA-N 1 0 349.478 2.816 50 0 EFAARO CCOc1ccc(C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)cn1 ZINC000215302066 241117473 /nfs/dbraw/zinc/11/74/73/241117473.db2.gz BVURBVXWLMUSHB-LJQANCHMSA-N 1 0 327.428 2.821 50 0 EFAARO c1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)cn2)nc1 ZINC000215351072 241119038 /nfs/dbraw/zinc/11/90/38/241119038.db2.gz RXNGNGYLKRLCJH-MRXNPFEDSA-N 1 0 332.411 2.708 50 0 EFAARO Cc1cc(C)n(-c2cccc(C[N@H+]3CC[C@@]4(CN(C)C(=O)O4)C3)c2)n1 ZINC000215839647 241149608 /nfs/dbraw/zinc/14/96/08/241149608.db2.gz QMCXQEGIPXLCQG-LJQANCHMSA-N 1 0 340.427 2.516 50 0 EFAARO Cc1nc(CC2CC[NH+](Cc3cnc(-c4ccco4)nc3)CC2)no1 ZINC000215896251 241153886 /nfs/dbraw/zinc/15/38/86/241153886.db2.gz JHFFXJVMLQWYJN-UHFFFAOYSA-N 1 0 339.399 2.883 50 0 EFAARO Cn1nc(C[NH+]2CCC3(COC(=O)O3)CC2)c2c1cccc2Cl ZINC000215972694 241156477 /nfs/dbraw/zinc/15/64/77/241156477.db2.gz MJVDDYDZUCOLSP-UHFFFAOYSA-N 1 0 335.791 2.728 50 0 EFAARO CCc1nccc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)n1 ZINC000216205954 241176004 /nfs/dbraw/zinc/17/60/04/241176004.db2.gz ZGLKJNFLXYDDHN-FQEVSTJZSA-N 1 0 336.483 2.714 50 0 EFAARO Cc1oc(-c2ccccc2NS(C)(=O)=O)nc1C[N@H+](C)CC1CC1 ZINC000299763162 241183580 /nfs/dbraw/zinc/18/35/80/241183580.db2.gz YVRODTFFQFOGMK-UHFFFAOYSA-N 1 0 349.456 2.863 50 0 EFAARO Cc1ncsc1CC[N@@H+](C)Cc1cnc(-c2ccccn2)nc1 ZINC000216333170 241183857 /nfs/dbraw/zinc/18/38/57/241183857.db2.gz JKXQDIUOZKFTEM-UHFFFAOYSA-N 1 0 325.441 2.978 50 0 EFAARO FC1(F)CC[NH+](Cc2cccc(OCCN3CCOCC3)c2)CC1 ZINC000216315049 241184303 /nfs/dbraw/zinc/18/43/03/241184303.db2.gz DFVJFFDPPPZDIM-UHFFFAOYSA-N 1 0 340.414 2.629 50 0 EFAARO CCSc1ncc(CN2CCC[N@H+](Cc3ccncc3)CC2)cn1 ZINC000216522124 241197545 /nfs/dbraw/zinc/19/75/45/241197545.db2.gz AEURPROVNXVECL-UHFFFAOYSA-N 1 0 343.500 2.692 50 0 EFAARO Cc1ccc(-c2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)o1 ZINC000215425919 241124968 /nfs/dbraw/zinc/12/49/68/241124968.db2.gz CBEUEWNIRDRGLE-UHFFFAOYSA-N 1 0 341.455 2.622 50 0 EFAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1cnc(-c2ccccn2)nc1 ZINC000215460706 241125958 /nfs/dbraw/zinc/12/59/58/241125958.db2.gz OOUXVWMNFDDJNZ-UHFFFAOYSA-N 1 0 336.443 2.943 50 0 EFAARO Cc1c(C[N@@H+]2CCC[C@H]2C(=O)N2CCOCC2)oc2ccccc12 ZINC000215527421 241131883 /nfs/dbraw/zinc/13/18/83/241131883.db2.gz MYHCYDJPAXZEGW-INIZCTEOSA-N 1 0 328.412 2.564 50 0 EFAARO CC(=O)Nc1ccc(C[NH+]2CCC(Cc3noc(C)n3)CC2)cc1 ZINC000215569046 241133055 /nfs/dbraw/zinc/13/30/55/241133055.db2.gz ZUVYNVVHFAUQFY-UHFFFAOYSA-N 1 0 328.416 2.791 50 0 EFAARO CN(Cc1cc(-c2ccccc2)n[nH]1)c1cc(C2CC([NH3+])C2)ncn1 ZINC000218895615 241349986 /nfs/dbraw/zinc/34/99/86/241349986.db2.gz RZZCHZQQMLTHDE-UHFFFAOYSA-N 1 0 334.427 2.708 50 0 EFAARO O=C(Cc1ccccc1C(F)(F)F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000218942309 241352267 /nfs/dbraw/zinc/35/22/67/241352267.db2.gz GJQCEGMEPYUTBK-AWEZNQCLSA-N 1 0 326.362 2.945 50 0 EFAARO CC[C@H](NC(=O)C1(c2ccccc2)CC[NH+](C)CC1)c1ccnn1C ZINC000218970313 241355196 /nfs/dbraw/zinc/35/51/96/241355196.db2.gz QJWQUUZGIONRGI-KRWDZBQOSA-N 1 0 340.471 2.651 50 0 EFAARO [NH3+][C@H]1C[C@@H](c2cc(N3CCC(OCc4ccccc4)CC3)ncn2)C1 ZINC000219069384 241363126 /nfs/dbraw/zinc/36/31/26/241363126.db2.gz PKTUIVLOFQKCLP-QAQDUYKDSA-N 1 0 338.455 2.867 50 0 EFAARO [NH3+][C@H]1C[C@H](c2cc(N3CCC(OCc4ccccc4)CC3)ncn2)C1 ZINC000219269170 241372550 /nfs/dbraw/zinc/37/25/50/241372550.db2.gz PKTUIVLOFQKCLP-CALCHBBNSA-N 1 0 338.455 2.867 50 0 EFAARO O=C(N[C@@H]1C[C@@H]2OCC[C@H]12)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000219667883 241403424 /nfs/dbraw/zinc/40/34/24/241403424.db2.gz AHFOEFYHNARGLQ-QRVBRYPASA-N 1 0 328.456 2.970 50 0 EFAARO COc1ccc(CN(C)c2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)c2cccnc12 ZINC000222853321 241570334 /nfs/dbraw/zinc/57/03/34/241570334.db2.gz MHBNTIUWLOGQSJ-SHTZXODSSA-N 1 0 349.438 2.875 50 0 EFAARO Cc1cccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)n1 ZINC000020905950 212186110 /nfs/dbraw/zinc/18/61/10/212186110.db2.gz XKYGMBSDSRJFKC-NRFANRHFSA-N 1 0 339.483 2.767 50 0 EFAARO Cc1ccc(C)c([C@@H](C)NC(=O)CN2CC([NH+]3CCCCC3)C2)c1 ZINC000243892367 243026629 /nfs/dbraw/zinc/02/66/29/243026629.db2.gz AGVOYGGPBPHXGA-QGZVFWFLSA-N 1 0 329.488 2.651 50 0 EFAARO Cc1cccc(Cl)c1C(=O)N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000243892737 243030938 /nfs/dbraw/zinc/03/09/38/243030938.db2.gz AKGSIQVNLYIUHT-CKEIUWERSA-N 1 0 336.863 2.517 50 0 EFAARO c1ccc(C[N@@H+]2CCCO[C@@H](CN3CC(c4ccccn4)C3)C2)cc1 ZINC000244620008 243045161 /nfs/dbraw/zinc/04/51/61/243045161.db2.gz FKDXVESXZVKROR-HXUWFJFHSA-N 1 0 337.467 2.772 50 0 EFAARO CC[C@H]1CCCC[N@@H+]1CC(=O)NCc1nncn1C1CCCCC1 ZINC000244691543 243057343 /nfs/dbraw/zinc/05/73/43/243057343.db2.gz JEROBEDACBPCTA-HNNXBMFYSA-N 1 0 333.480 2.664 50 0 EFAARO O=C(C[NH+]1CCCCCCC1)NCc1ccccc1-n1ccnc1 ZINC000244763907 243076353 /nfs/dbraw/zinc/07/63/53/243076353.db2.gz OXQKYXBKRYLVCR-UHFFFAOYSA-N 1 0 326.444 2.755 50 0 EFAARO Cc1nccn1CC1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000244774053 243078427 /nfs/dbraw/zinc/07/84/27/243078427.db2.gz PNDGGERQSUCUCO-UHFFFAOYSA-N 1 0 332.492 2.600 50 0 EFAARO Cc1ccccc1N1CCC[N@H+](CCC(=O)Nc2cccnc2)CC1 ZINC000244778678 243079013 /nfs/dbraw/zinc/07/90/13/243079013.db2.gz PUQRONNEQXEDEO-UHFFFAOYSA-N 1 0 338.455 2.931 50 0 EFAARO Cc1cccc2cc(C(=O)N[C@H]([C@H]3C[C@H](O)C3)C3CC[NH2+]CC3)oc21 ZINC000244774205 243080318 /nfs/dbraw/zinc/08/03/18/243080318.db2.gz PPNXOOCNTLFEDM-BQFCYCMXSA-N 1 0 342.439 2.610 50 0 EFAARO Cc1c[nH]c(C(=O)NC2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000244794803 243082158 /nfs/dbraw/zinc/08/21/58/243082158.db2.gz QTVQIVTVVVUYCB-UHFFFAOYSA-N 1 0 332.835 2.766 50 0 EFAARO O=C(CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)NCc1cccc(Cl)c1 ZINC000244794617 243082514 /nfs/dbraw/zinc/08/25/14/243082514.db2.gz QQIDFHASOUHXAZ-HNNXBMFYSA-N 1 0 346.862 2.949 50 0 EFAARO C[N@@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000244794941 243084408 /nfs/dbraw/zinc/08/44/08/243084408.db2.gz QWUHKMWYNBLXQU-HXUWFJFHSA-N 1 0 343.515 2.714 50 0 EFAARO O=C(CSCC[NH+]1CCCC1)N1CCC(c2ccncc2)CC1 ZINC000244874473 243094223 /nfs/dbraw/zinc/09/42/23/243094223.db2.gz XBUUOULYGLTANY-UHFFFAOYSA-N 1 0 333.501 2.617 50 0 EFAARO C[C@H]1CCCN(C(=O)CC[NH+]2CCC(CCn3cccn3)CC2)C1 ZINC000065530652 202858821 /nfs/dbraw/zinc/85/88/21/202858821.db2.gz JYGCQOGXOSEYPK-KRWDZBQOSA-N 1 0 332.492 2.634 50 0 EFAARO COC(=O)C1CC[NH+](Cc2cc3ccc(SC)cc3[nH]c2=O)CC1 ZINC000067908486 202946359 /nfs/dbraw/zinc/94/63/59/202946359.db2.gz HHIGUBDIHFUBII-UHFFFAOYSA-N 1 0 346.452 2.635 50 0 EFAARO O=C(NCc1cccnc1Oc1ccc(F)cc1F)[C@H]1CCC[NH2+]1 ZINC000067678410 202925130 /nfs/dbraw/zinc/92/51/30/202925130.db2.gz MKXQDOCEJNQPKP-CQSZACIVSA-N 1 0 333.338 2.520 50 0 EFAARO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020513320 212142394 /nfs/dbraw/zinc/14/23/94/212142394.db2.gz RNNOKIKKQIIXCX-LJQANCHMSA-N 1 0 326.440 2.557 50 0 EFAARO C[NH+](C)C[C@@H]1CSCCCN1C(=O)NCc1ccc(Cl)cc1 ZINC000090700240 203005006 /nfs/dbraw/zinc/00/50/06/203005006.db2.gz LFYVVHCHSDCEFY-OAHLLOKOSA-N 1 0 341.908 2.919 50 0 EFAARO OCC(CO)[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071415737 203094967 /nfs/dbraw/zinc/09/49/67/203094967.db2.gz XEESFPXKPMSJRC-ZDUSSCGKSA-N 1 0 331.378 2.703 50 0 EFAARO O=c1cc([C@H]2C[C@@H]([NH2+]C3CCN(Cc4ccccc4)CC3)C2)nc[nH]1 ZINC000253535550 244010045 /nfs/dbraw/zinc/01/00/45/244010045.db2.gz BOXNWUDXIXPRFP-MAEOIBBWSA-N 1 0 338.455 2.682 50 0 EFAARO COc1coc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)cc1=O ZINC000071771365 203111685 /nfs/dbraw/zinc/11/16/85/203111685.db2.gz FAUALELWUIKSAO-KRWDZBQOSA-N 1 0 334.460 2.591 50 0 EFAARO COc1coc(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)cc1=O ZINC000071771366 203111835 /nfs/dbraw/zinc/11/18/35/203111835.db2.gz FAUALELWUIKSAO-QGZVFWFLSA-N 1 0 334.460 2.591 50 0 EFAARO CCCCOCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071776323 203113051 /nfs/dbraw/zinc/11/30/51/203113051.db2.gz ABBOMLIZZFPATB-CEWLAPEOSA-N 1 0 342.483 2.892 50 0 EFAARO Cc1noc(C)c1CC[N@@H+]1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071589789 203100489 /nfs/dbraw/zinc/10/04/89/203100489.db2.gz HSDHDHQFEDJLRF-GOSISDBHSA-N 1 0 333.476 2.803 50 0 EFAARO O=C([C@@H]1CCC[N@H+](Cc2c[nH]c3cc(=O)ccc-3c2)C1)N1CCCC1 ZINC000071614628 203101321 /nfs/dbraw/zinc/10/13/21/203101321.db2.gz BUDCPFWICWETCB-QGZVFWFLSA-N 1 0 339.439 2.775 50 0 EFAARO CCn1c(=O)[nH]nc1CC1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000071712282 203103362 /nfs/dbraw/zinc/10/33/62/203103362.db2.gz QEQALXBKCMSVIH-UHFFFAOYSA-N 1 0 340.427 2.792 50 0 EFAARO COc1ccc2cc([C@H]3CN(C(=O)C4([NH3+])CCC4)CCO3)ccc2c1 ZINC000071712230 203104176 /nfs/dbraw/zinc/10/41/76/203104176.db2.gz RSXFFZRHLHTGNF-GOSISDBHSA-N 1 0 340.423 2.630 50 0 EFAARO CCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071749747 203107300 /nfs/dbraw/zinc/10/73/00/203107300.db2.gz KWOQDDNQBOVGAH-LJQANCHMSA-N 1 0 343.515 2.889 50 0 EFAARO CC(C)[C@H]1C[N@H+](CCn2cncn2)CCCN1Cc1ccc(F)cc1 ZINC000071752441 203107407 /nfs/dbraw/zinc/10/74/07/203107407.db2.gz IGQDXFIQTQBFHJ-LJQANCHMSA-N 1 0 345.466 2.650 50 0 EFAARO O=C(c1ccccn1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071753672 203107736 /nfs/dbraw/zinc/10/77/36/203107736.db2.gz HSNCBBCZEOGNNA-DFQSSKMNSA-N 1 0 333.435 2.784 50 0 EFAARO CC[C@H]1CN(C2CC[NH+](CC)CC2)CCC(=O)N1Cc1ccccc1 ZINC000071753281 203108359 /nfs/dbraw/zinc/10/83/59/203108359.db2.gz CDZIMGXZQCUSEP-IBGZPJMESA-N 1 0 343.515 2.984 50 0 EFAARO FC(F)(F)[C@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000071760903 203109137 /nfs/dbraw/zinc/10/91/37/203109137.db2.gz VEZAVIVXGFQXCU-QGZVFWFLSA-N 1 0 342.405 2.957 50 0 EFAARO COc1ccc(NC2(C(=O)N[C@@H]3CC[C@@H]([NH3+])C3)CCCCC2)cc1 ZINC000071756907 203109245 /nfs/dbraw/zinc/10/92/45/203109245.db2.gz YNIPIKSEPFCYNE-GDBMZVCRSA-N 1 0 331.460 2.806 50 0 EFAARO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)ccc2O1 ZINC000071763842 203110479 /nfs/dbraw/zinc/11/04/79/203110479.db2.gz FQMATKPSSGXESO-QGZVFWFLSA-N 1 0 328.456 2.987 50 0 EFAARO O=c1[nH]nc([C@H]2CCC[N@H+](CCc3ccccc3)C2)n1-c1ccccc1 ZINC000071762786 203110916 /nfs/dbraw/zinc/11/09/16/203110916.db2.gz CALBSKWMJVWCHC-SFHVURJKSA-N 1 0 348.450 2.983 50 0 EFAARO CCOC(=O)C1CC[NH+](CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000071863843 203131552 /nfs/dbraw/zinc/13/15/52/203131552.db2.gz GZOVZIMHCUQXPE-UHFFFAOYSA-N 1 0 328.453 2.519 50 0 EFAARO CN(Cc1[nH]nc2c1CCCC2)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072147336 203170867 /nfs/dbraw/zinc/17/08/67/203170867.db2.gz CNDSFEYQXWDWOD-CQSZACIVSA-N 1 0 338.455 2.638 50 0 EFAARO CCc1nnc(CNC(=O)c2cccc(CC3CC[NH2+]CC3)c2)s1 ZINC000072120686 203163788 /nfs/dbraw/zinc/16/37/88/203163788.db2.gz IPRFUVLPWCCSNQ-UHFFFAOYSA-N 1 0 344.484 2.573 50 0 EFAARO CC[C@@H]1CN(Cc2cnc(N3CCCCC3)nc2)CC[N@@H+]1C(C)C ZINC000072124165 203165386 /nfs/dbraw/zinc/16/53/86/203165386.db2.gz IOFQXIJXCFAMEQ-GOSISDBHSA-N 1 0 331.508 2.772 50 0 EFAARO Brc1c(OCCN2CC[NH2+]CC2)ccc2ccccc21 ZINC000020272835 212116111 /nfs/dbraw/zinc/11/61/11/212116111.db2.gz FZHBFUMZTIAJNC-UHFFFAOYSA-N 1 0 335.245 2.886 50 0 EFAARO O=C(NC[C@]1(O)CCC[NH2+]CC1)c1cccc(-c2ccc(F)cc2)c1 ZINC000072140438 203168187 /nfs/dbraw/zinc/16/81/87/203168187.db2.gz AJHBDDKFAWOYBX-FQEVSTJZSA-N 1 0 342.414 2.727 50 0 EFAARO Fc1cccc(F)c1CC[C@H]1CCC[N@H+](CCCn2cnnn2)C1 ZINC000072141827 203168533 /nfs/dbraw/zinc/16/85/33/203168533.db2.gz YFRJSYOTPXPKNG-CQSZACIVSA-N 1 0 335.402 2.686 50 0 EFAARO Fc1cccc(F)c1CC[C@@H]1CCC[N@H+](CCCn2cnnn2)C1 ZINC000072141826 203168626 /nfs/dbraw/zinc/16/86/26/203168626.db2.gz YFRJSYOTPXPKNG-AWEZNQCLSA-N 1 0 335.402 2.686 50 0 EFAARO O=C(C[C@H]1COCC[NH2+]1)Nc1ccc(SCc2ccco2)cc1 ZINC000072139002 203168722 /nfs/dbraw/zinc/16/87/22/203168722.db2.gz ASZBLMWMLGJAGS-AWEZNQCLSA-N 1 0 332.425 2.889 50 0 EFAARO CN1C[C@]2(CCC[N@H+](Cc3nnc(-c4ccccc4)o3)CC2)OC1=O ZINC000072145796 203169013 /nfs/dbraw/zinc/16/90/13/203169013.db2.gz BSUQPBZYNAHEAE-GOSISDBHSA-N 1 0 342.399 2.543 50 0 EFAARO CCC[C@H]1COCCN1C(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072146167 203169404 /nfs/dbraw/zinc/16/94/04/203169404.db2.gz 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203175530 /nfs/dbraw/zinc/17/55/30/203175530.db2.gz OKLPGABWEBJSKD-KRWDZBQOSA-N 1 0 343.500 2.676 50 0 EFAARO CCOc1ccc(Cl)cc1CN(C)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072159281 203176250 /nfs/dbraw/zinc/17/62/50/203176250.db2.gz PFIWYYAHCAMUBS-UHFFFAOYSA-N 1 0 334.851 2.670 50 0 EFAARO Cc1cc(N2CCC[C@](O)(C[NH+](C)C)CC2)nc(-c2ccccc2)n1 ZINC000072162837 203177161 /nfs/dbraw/zinc/17/71/61/203177161.db2.gz QWPSRYASOIQLSF-HXUWFJFHSA-N 1 0 340.471 2.735 50 0 EFAARO Cc1cc(N2CCC[C@@](O)(C[NH+](C)C)CC2)nc(-c2ccccc2)n1 ZINC000072162838 203177886 /nfs/dbraw/zinc/17/78/86/203177886.db2.gz QWPSRYASOIQLSF-FQEVSTJZSA-N 1 0 340.471 2.735 50 0 EFAARO COc1cc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ncn1 ZINC000072166974 203178974 /nfs/dbraw/zinc/17/89/74/203178974.db2.gz NAGYKFUVFIDKRG-NSISKUIASA-N 1 0 336.439 2.552 50 0 EFAARO COc1ccccc1N1CC[N@H+](Cc2cccc3nonc32)[C@@H](C)C1 ZINC000072166321 203179006 /nfs/dbraw/zinc/17/90/06/203179006.db2.gz NBKNMEMLRMVNPK-AWEZNQCLSA-N 1 0 338.411 2.942 50 0 EFAARO OC[C@@]12CCC[C@@H]1C[N@H+](Cc1cnc3c(-c4ccccc4)cnn3c1)C2 ZINC000072165148 203179952 /nfs/dbraw/zinc/17/99/52/203179952.db2.gz ZIOMQIQIPDZGFO-NQIIRXRSSA-N 1 0 348.450 2.991 50 0 EFAARO Cc1ccc(C2(O)CC[NH+](C[C@@H]3CCCN4CCCC[C@H]34)CC2)nc1 ZINC000072167751 203179983 /nfs/dbraw/zinc/17/99/83/203179983.db2.gz PEYATTLGVIMODS-RBUKOAKNSA-N 1 0 343.515 2.938 50 0 EFAARO O=C(CCCc1cn[nH]c1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000072170382 203180998 /nfs/dbraw/zinc/18/09/98/203180998.db2.gz RKVHQEMWYNKTOL-GOSISDBHSA-N 1 0 332.492 2.893 50 0 EFAARO Cc1ccccc1CC[C@H]1CCC[N@@H+](Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC000072167983 203181086 /nfs/dbraw/zinc/18/10/86/203181086.db2.gz KYGFWNPDINBKML-MRXNPFEDSA-N 1 0 341.455 2.525 50 0 EFAARO CC(C)Cc1noc(CN(C)C(=O)c2ccccc2[C@@H]2CC[NH2+]C2)n1 ZINC000072171294 203181386 /nfs/dbraw/zinc/18/13/86/203181386.db2.gz LATKNTOBZCWSQA-CQSZACIVSA-N 1 0 342.443 2.617 50 0 EFAARO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H]([NH3+])CC3)cc2)n1 ZINC000072171601 203181660 /nfs/dbraw/zinc/18/16/60/203181660.db2.gz OWCAOOJJLPMKRV-GOSISDBHSA-N 1 0 326.444 2.502 50 0 EFAARO Cc1cc(C[C@H](C)NC(=O)c2cccc(CC3CC[NH2+]CC3)c2)[nH]n1 ZINC000072167981 203181684 /nfs/dbraw/zinc/18/16/84/203181684.db2.gz LSEJRLRJMNCERM-AWEZNQCLSA-N 1 0 340.471 2.621 50 0 EFAARO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCCC[NH2+]1 ZINC000072343477 203203173 /nfs/dbraw/zinc/20/31/73/203203173.db2.gz QXDNLSCHEQDUIZ-CYBMUJFWSA-N 1 0 332.469 2.698 50 0 EFAARO CC(C)(O)CCc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000072440555 203225855 /nfs/dbraw/zinc/22/58/55/203225855.db2.gz ZSHHQILSBPYTHS-GOSISDBHSA-N 1 0 330.472 2.700 50 0 EFAARO Cc1cccnc1C[C@H](C)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072454356 203226821 /nfs/dbraw/zinc/22/68/21/203226821.db2.gz NZVVWYZKZUCHGC-HNNXBMFYSA-N 1 0 336.443 2.747 50 0 EFAARO Cc1ccc([C@H]2CN(Cc3nccn3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072454338 203227375 /nfs/dbraw/zinc/22/73/75/203227375.db2.gz RMGUYRLXOIJRGC-HMXCVIKNSA-N 1 0 336.483 2.791 50 0 EFAARO CNc1nc(N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)ncc1F ZINC000072456890 203227625 /nfs/dbraw/zinc/22/76/25/203227625.db2.gz XDXGOCMEKDDKNI-OAHLLOKOSA-N 1 0 341.434 2.701 50 0 EFAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072469910 203229157 /nfs/dbraw/zinc/22/91/57/203229157.db2.gz ITLNFOKCWKUDSX-IBGZPJMESA-N 1 0 332.488 2.738 50 0 EFAARO CN(Cc1ccoc1)c1nc(-c2cccnc2)nc2c1CC[N@H+](C)CC2 ZINC000072468905 203229465 /nfs/dbraw/zinc/22/94/65/203229465.db2.gz ZMUAFZJVHWQYTD-UHFFFAOYSA-N 1 0 349.438 2.798 50 0 EFAARO C[C@@H](C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)n1cccn1 ZINC000072463661 203229662 /nfs/dbraw/zinc/22/96/62/203229662.db2.gz SUJXJVXCMHAKCK-CCLIWJKGSA-N 1 0 342.487 2.557 50 0 EFAARO CN(C)c1ccc(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)cn1 ZINC000072473208 203230654 /nfs/dbraw/zinc/23/06/54/203230654.db2.gz YAAQOFCDTLSQAE-FQEVSTJZSA-N 1 0 339.483 2.963 50 0 EFAARO O=C1CC[C@H]2C[N@@H+](C3CCOCC3)CC[C@H]2N1CCc1ccccc1 ZINC000072474026 203230745 /nfs/dbraw/zinc/23/07/45/203230745.db2.gz BUMMRVVOXPGZCP-AZUAARDMSA-N 1 0 342.483 2.721 50 0 EFAARO COC(=O)CCn1cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cn1 ZINC000072475484 203230784 /nfs/dbraw/zinc/23/07/84/203230784.db2.gz ABBGUXXFAXESME-HNNXBMFYSA-N 1 0 331.391 2.575 50 0 EFAARO COCC[N@@H+]1CC[C@H](CN(C)c2cc(C(C)C)nc3cc(C)nn32)C1 ZINC000072477360 203231821 /nfs/dbraw/zinc/23/18/21/203231821.db2.gz DLCCDFVJUKVRNI-MRXNPFEDSA-N 1 0 345.491 2.566 50 0 EFAARO CCc1n[nH]cc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072477779 203232092 /nfs/dbraw/zinc/23/20/92/203232092.db2.gz PNFSXVCLULMXNO-UHFFFAOYSA-N 1 0 340.471 2.753 50 0 EFAARO CNc1cc(C)nc(N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)n1 ZINC000072406828 203215527 /nfs/dbraw/zinc/21/55/27/203215527.db2.gz XBIRUZHLZAUBEF-KRWDZBQOSA-N 1 0 337.471 2.870 50 0 EFAARO CSc1ccc(C(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)cc1 ZINC000072407425 203215823 /nfs/dbraw/zinc/21/58/23/203215823.db2.gz GXBHNEXKNAHTEZ-OAHLLOKOSA-N 1 0 348.512 2.981 50 0 EFAARO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 ZINC000072408585 203215888 /nfs/dbraw/zinc/21/58/88/203215888.db2.gz XBWKWZCQWCGVKJ-SFHVURJKSA-N 1 0 332.488 2.946 50 0 EFAARO CN(C[C@]1(C)CC[N@H+](C)C1)c1cc(-c2ccncc2)nc2ccnn21 ZINC000072481127 203233030 /nfs/dbraw/zinc/23/30/30/203233030.db2.gz MVMQJJFDCTXXAS-LJQANCHMSA-N 1 0 336.443 2.569 50 0 EFAARO c1cn(-c2cccc(-c3c[nH]cn3)c2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072412170 203216896 /nfs/dbraw/zinc/21/68/96/203216896.db2.gz UIKCLKWPGIEDIM-UHFFFAOYSA-N 1 0 345.410 2.619 50 0 EFAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072411651 203217329 /nfs/dbraw/zinc/21/73/29/203217329.db2.gz NQUMEBYKWWJINW-GOSISDBHSA-N 1 0 332.488 2.946 50 0 EFAARO CC(C)(O)CCc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000072409741 203217475 /nfs/dbraw/zinc/21/74/75/203217475.db2.gz ABWHJJZPVJVDRL-UHFFFAOYSA-N 1 0 332.488 2.994 50 0 EFAARO CCOCc1nc2c(c(N[C@H](C)c3ccc(C)cn3)n1)CC[NH2+]CC2 ZINC000072418845 203218421 /nfs/dbraw/zinc/21/84/21/203218421.db2.gz XQJIWPYCXZSHMJ-CQSZACIVSA-N 1 0 341.459 2.578 50 0 EFAARO CC(=O)NCC1CC[NH+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072420140 203219110 /nfs/dbraw/zinc/21/91/10/203219110.db2.gz ZQMKCZLGZYYCDW-UHFFFAOYSA-N 1 0 332.488 2.738 50 0 EFAARO c1cn(C[C@@H]2OCCc3ccccc32)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072423986 203219736 /nfs/dbraw/zinc/21/97/36/203219736.db2.gz YLADDMNBNAOHCM-IBGZPJMESA-N 1 0 349.438 2.554 50 0 EFAARO CCN1CC2(CC[NH+](Cc3ccc(-c4cc[nH]n4)s3)CC2)OC1=O ZINC000072422039 203220683 /nfs/dbraw/zinc/22/06/83/203220683.db2.gz GSMOUAXERFEVHJ-UHFFFAOYSA-N 1 0 346.456 2.945 50 0 EFAARO COCCCN1C(=O)CC[C@H]2C[N@@H+](CCc3ccccc3)CC[C@H]21 ZINC000072424317 203221371 /nfs/dbraw/zinc/22/13/71/203221371.db2.gz VSGQATFBFBBRJO-RBUKOAKNSA-N 1 0 330.472 2.579 50 0 EFAARO O=C1CC[C@@]2(CCCN(c3cc[nH+]cc3)C2)CN1Cc1ccccn1 ZINC000072424812 203221617 /nfs/dbraw/zinc/22/16/17/203221617.db2.gz DRUMOPHNHILURH-HXUWFJFHSA-N 1 0 336.439 2.886 50 0 EFAARO C[N@@H+]1CCc2nc(-c3ccco3)nc(N[C@@H]3CCSC3)c2CC1 ZINC000072426073 203221658 /nfs/dbraw/zinc/22/16/58/203221658.db2.gz VQLNUCQTXKZBRN-GFCCVEGCSA-N 1 0 330.457 2.684 50 0 EFAARO COCCC[N@H+](Cc1ccc2c(c1)C[C@@H](C)O2)C1CCN(C)CC1 ZINC000072425068 203221684 /nfs/dbraw/zinc/22/16/84/203221684.db2.gz ZHUZQJWNKNQUST-MRXNPFEDSA-N 1 0 332.488 2.943 50 0 EFAARO Fc1ccccc1-c1cc(N2C[C@@H]3CCC[NH2+][C@@H]3C2)n2nccc2n1 ZINC000072426113 203221916 /nfs/dbraw/zinc/22/19/16/203221916.db2.gz XBTDCJTUCYUEEL-SUMWQHHRSA-N 1 0 337.402 2.724 50 0 EFAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072424185 203221968 /nfs/dbraw/zinc/22/19/68/203221968.db2.gz UVMVWPLYAAMFIE-QGZVFWFLSA-N 1 0 332.488 2.852 50 0 EFAARO Cc1cc(CNc2nc(-c3ccccc3)nc3c2CC[NH2+]CC3)no1 ZINC000072429502 203222716 /nfs/dbraw/zinc/22/27/16/203222716.db2.gz UNMZJPUVGAKNER-UHFFFAOYSA-N 1 0 335.411 2.740 50 0 EFAARO c1cnc(N2CCC3(CCC[N@H+]3Cc3nc4ccccc4[nH]3)CC2)nc1 ZINC000072429028 203222804 /nfs/dbraw/zinc/22/28/04/203222804.db2.gz VHHQRJGRSIAXGU-UHFFFAOYSA-N 1 0 348.454 2.988 50 0 EFAARO O=C(C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1)N1CCCC1 ZINC000073276324 203263116 /nfs/dbraw/zinc/26/31/16/203263116.db2.gz IIORRILJUABJOZ-UHFFFAOYSA-N 1 0 338.455 2.707 50 0 EFAARO C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1nccs1 ZINC000073451214 203266124 /nfs/dbraw/zinc/26/61/24/203266124.db2.gz CHSXUSWHHUQFCS-HNNXBMFYSA-N 1 0 344.484 2.533 50 0 EFAARO Cc1cccc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)n1 ZINC000077288205 203377990 /nfs/dbraw/zinc/37/79/90/203377990.db2.gz FURUFDCDVNWXET-UHFFFAOYSA-N 1 0 335.451 2.705 50 0 EFAARO Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)ccc1Cl ZINC000077301222 203379051 /nfs/dbraw/zinc/37/90/51/203379051.db2.gz MFZIEYLHMVMZLP-GOSISDBHSA-N 1 0 336.863 2.711 50 0 EFAARO O=C(C1CCOCC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077322433 203379980 /nfs/dbraw/zinc/37/99/80/203379980.db2.gz XJUDFIPIOCKZBC-UHFFFAOYSA-N 1 0 330.472 2.580 50 0 EFAARO CC[C@@H](C(=O)N1CCN(Cc2cccc(Cl)c2)CC1)[NH+]1CCCC1 ZINC000077319945 203380029 /nfs/dbraw/zinc/38/00/29/203380029.db2.gz MBYYCQPATKXBAN-SFHVURJKSA-N 1 0 349.906 2.859 50 0 EFAARO Cc1nc(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)nc2c1CCCC2 ZINC000077323037 203380608 /nfs/dbraw/zinc/38/06/08/203380608.db2.gz CUZHWRRGUDMDOR-MRXNPFEDSA-N 1 0 345.487 2.524 50 0 EFAARO c1ccc(-c2nc3c(c(NCC[C@H]4CCCCO4)n2)CC[NH2+]C3)nc1 ZINC000077341939 203381207 /nfs/dbraw/zinc/38/12/07/203381207.db2.gz HHQDCIWJXHZERJ-CQSZACIVSA-N 1 0 339.443 2.555 50 0 EFAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000077354749 203382141 /nfs/dbraw/zinc/38/21/41/203382141.db2.gz NMCKNZFJIPTOLP-CQSZACIVSA-N 1 0 340.370 2.889 50 0 EFAARO OCCOc1ccccc1CN1CCC[N@@H+](C2CCCCC2)CC1 ZINC000077356964 203383299 /nfs/dbraw/zinc/38/32/99/203383299.db2.gz KRHUWOTUBZVYEO-UHFFFAOYSA-N 1 0 332.488 2.898 50 0 EFAARO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000077387546 203385145 /nfs/dbraw/zinc/38/51/45/203385145.db2.gz AXOJUGOQBNSARO-KRWDZBQOSA-N 1 0 326.843 2.902 50 0 EFAARO CCCNc1ncc(C[NH+]2CCC(CCn3cccn3)CC2)cn1 ZINC000077423819 203386837 /nfs/dbraw/zinc/38/68/37/203386837.db2.gz VLMVBKWMQFHZPA-UHFFFAOYSA-N 1 0 328.464 2.797 50 0 EFAARO Cc1cc(N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)nc(N)[nH+]1 ZINC000077440473 203388452 /nfs/dbraw/zinc/38/84/52/203388452.db2.gz ZNIQPRZUJZFXFG-IBGZPJMESA-N 1 0 345.491 2.622 50 0 EFAARO Cc1cc(N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)nc(N)[nH+]1 ZINC000077440475 203388463 /nfs/dbraw/zinc/38/84/63/203388463.db2.gz ZNIQPRZUJZFXFG-LJQANCHMSA-N 1 0 345.491 2.622 50 0 EFAARO Cn1c(CN2CC[C@](O)(C[NH+]3CCCCC3)C2)cc2ccccc21 ZINC000077470051 203390121 /nfs/dbraw/zinc/39/01/21/203390121.db2.gz CTOJFVZSMPMTPH-FQEVSTJZSA-N 1 0 327.472 2.601 50 0 EFAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc(N)nc1 ZINC000077469885 203390503 /nfs/dbraw/zinc/39/05/03/203390503.db2.gz CLWVZZGIVPMCGL-UHFFFAOYSA-N 1 0 338.455 2.648 50 0 EFAARO Cc1noc(C)c1CC(=O)N1CCCN(Cc2ccccc2F)CC1 ZINC000077505650 203392441 /nfs/dbraw/zinc/39/24/41/203392441.db2.gz OJQBEWGLZNNQAW-UHFFFAOYSA-N 1 0 345.418 2.708 50 0 EFAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)CC3CCCCC3)cc2C1 ZINC000077517401 203392695 /nfs/dbraw/zinc/39/26/95/203392695.db2.gz ZRHPMCANOULSAK-UHFFFAOYSA-N 1 0 332.492 2.941 50 0 EFAARO O=c1cc(C[NH2+]Cc2[nH]nc3c2CCC3)[nH]c2ccc(Cl)cc12 ZINC000077518778 203393090 /nfs/dbraw/zinc/39/30/90/203393090.db2.gz DVQAAYUFMGTOPF-UHFFFAOYSA-N 1 0 328.803 2.683 50 0 EFAARO c1cc(-c2ccc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)s2)n[nH]1 ZINC000077524215 203393483 /nfs/dbraw/zinc/39/34/83/203393483.db2.gz PYLUPZZXSUNLRE-HNNXBMFYSA-N 1 0 346.500 2.825 50 0 EFAARO c1cncc(COC2CC[NH+]([C@H]3CCOC4(CCOCC4)C3)CC2)c1 ZINC000077522104 203394114 /nfs/dbraw/zinc/39/41/14/203394114.db2.gz ZYQJWFWWJCOQAE-SFHVURJKSA-N 1 0 346.471 2.791 50 0 EFAARO COc1ccccc1OC1CCN(C(=O)[C@@H](C)[NH+]2CCCC2)CC1 ZINC000077540157 203394361 /nfs/dbraw/zinc/39/43/61/203394361.db2.gz ZZHBZRCGUUNGSS-OAHLLOKOSA-N 1 0 332.444 2.549 50 0 EFAARO COc1cc(C[NH2+][C@@H]2COc3ccccc3C2)cc(OC)c1OC ZINC000019771006 212063324 /nfs/dbraw/zinc/06/33/24/212063324.db2.gz NLUSVSBMYPIWKU-HNNXBMFYSA-N 1 0 329.396 2.806 50 0 EFAARO Cc1cc(C)n(Cc2cccc(C(=O)N3CCCC[C@@H]([NH3+])C3)c2)n1 ZINC000082166637 203499387 /nfs/dbraw/zinc/49/93/87/203499387.db2.gz VVKMNSXAVWJSJZ-GOSISDBHSA-N 1 0 326.444 2.502 50 0 EFAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C)CC4)[C@H]3C=C12 ZINC000019703191 212055870 /nfs/dbraw/zinc/05/58/70/212055870.db2.gz GGQNKELRRAZPBI-XKTCVQHVSA-N 1 0 332.488 2.548 50 0 biogenic EFAARO Cc1ncsc1C[N@@H+]1C[C@H](NC(=O)CC(F)(F)F)[C@@H](C(C)C)C1 ZINC000091745715 203649699 /nfs/dbraw/zinc/64/96/99/203649699.db2.gz GEDCQSDPUXPCHS-NEPJUHHUSA-N 1 0 349.422 2.977 50 0 EFAARO Cc1ccc(C)c(C[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)c1 ZINC000091849013 203654699 /nfs/dbraw/zinc/65/46/99/203654699.db2.gz GNYUPAPYMBSJTF-UHFFFAOYSA-N 1 0 330.472 2.500 50 0 EFAARO C[NH+](C)[C@H]1CCN(Cc2ccc(F)c(F)c2F)C[C@H]1CCCO ZINC000091689945 203646882 /nfs/dbraw/zinc/64/68/82/203646882.db2.gz FCEYBDXUJFNFCO-DOMZBBRYSA-N 1 0 330.394 2.629 50 0 EFAARO CCC[C@H]1CN(C(=O)c2cccc(Cn3nc(C)cc3C)c2)C[C@@H]1[NH3+] ZINC000092064784 203666020 /nfs/dbraw/zinc/66/60/20/203666020.db2.gz ADLKERQWGDMGDB-OALUTQOASA-N 1 0 340.471 2.748 50 0 EFAARO COCCCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000096147821 203842832 /nfs/dbraw/zinc/84/28/32/203842832.db2.gz YMIBEMRHGWJKSB-SFHVURJKSA-N 1 0 330.472 2.750 50 0 EFAARO C[C@H](NC(=O)C1CC[NH+](C2CCN(C)CC2)CC1)c1ccsc1 ZINC000097732769 203961486 /nfs/dbraw/zinc/96/14/86/203961486.db2.gz LSDCVGNURBARHH-AWEZNQCLSA-N 1 0 335.517 2.732 50 0 EFAARO COC(=O)N1C[C@H]2[C@H](C[NH+]3CCC(c4ccccc4OC)CC3)[C@H]2C1 ZINC000101906042 204025954 /nfs/dbraw/zinc/02/59/54/204025954.db2.gz IMTUEDHDIOTRHZ-NNZMDNLPSA-N 1 0 344.455 2.819 50 0 EFAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)c3ccc(-c4ccc(O)cc4)cc3)C[C@H]12 ZINC000102284837 204035130 /nfs/dbraw/zinc/03/51/30/204035130.db2.gz XLEADGCMYRAIRH-OWZKRDHZSA-N 1 0 336.435 2.939 50 0 EFAARO COc1cccc([C@@H](O)C[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000049420904 204393918 /nfs/dbraw/zinc/39/39/18/204393918.db2.gz ITWKOHXGGIYVBO-FQEVSTJZSA-N 1 0 326.440 2.859 50 0 biogenic EFAARO CO[C@]12CC[N@H+](Cc3ccc(C)s3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426383806 247272111 /nfs/dbraw/zinc/27/21/11/247272111.db2.gz JXZQPDBDXJKHAU-BHYGNILZSA-N 1 0 325.474 2.577 50 0 EFAARO CC(C)n1cncc1CSc1nnc(C[NH3+])n1Cc1ccccc1 ZINC000426387026 247272570 /nfs/dbraw/zinc/27/25/70/247272570.db2.gz ZYLFGHKLDHPZOW-UHFFFAOYSA-N 1 0 342.472 2.855 50 0 EFAARO OCc1cccc(-c2ccc3c(c2)OC[C@@H]([NH+]2CCCC2)[C@@H]3O)c1 ZINC000426387716 247272723 /nfs/dbraw/zinc/27/27/23/247272723.db2.gz OUXIAZBHOKVLPE-UYAOXDASSA-N 1 0 325.408 2.736 50 0 EFAARO O=C(NC[C@@H]1CC12CCCCC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426388012 247274665 /nfs/dbraw/zinc/27/46/65/247274665.db2.gz STVFAHVYSSSAHW-INIZCTEOSA-N 1 0 328.460 2.884 50 0 EFAARO Cc1ccc(-c2ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc2)c(N)n1 ZINC000426411468 247277371 /nfs/dbraw/zinc/27/73/71/247277371.db2.gz OKPOROSLTPMATM-UHFFFAOYSA-N 1 0 340.471 2.957 50 0 EFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3csc(C)c3)cc2C1 ZINC000426410475 247278279 /nfs/dbraw/zinc/27/82/79/247278279.db2.gz JJCLWTMOULBEQM-UHFFFAOYSA-N 1 0 332.473 2.799 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cc(C)no3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426473613 247285900 /nfs/dbraw/zinc/28/59/00/247285900.db2.gz ODKSDOLVXVGNJQ-VDZJLULYSA-N 1 0 343.427 2.969 50 0 EFAARO CCC[NH+]1CCC(CNC(=O)N(CCO)Cc2ccccc2C)CC1 ZINC000426506825 247290645 /nfs/dbraw/zinc/29/06/45/247290645.db2.gz ORZKVHFIXIYUKP-UHFFFAOYSA-N 1 0 347.503 2.621 50 0 EFAARO CCc1ccc(C(=O)NC2CC[NH+](Cc3cccc(O)c3)CC2)[nH]1 ZINC000426734222 247294710 /nfs/dbraw/zinc/29/47/10/247294710.db2.gz CIJCMWPPSCMZSN-UHFFFAOYSA-N 1 0 327.428 2.677 50 0 EFAARO [NH3+]CCOc1ccc(CC(=O)NCc2c(F)cccc2Cl)cc1 ZINC000426377975 247271714 /nfs/dbraw/zinc/27/17/14/247271714.db2.gz LDFQGLYXYLLYRN-UHFFFAOYSA-N 1 0 336.794 2.676 50 0 EFAARO COc1ccc(OC)c(COC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000012420208 211375047 /nfs/dbraw/zinc/37/50/47/211375047.db2.gz WSYOLZVNRJITHS-HLLBOEOZSA-N 1 0 337.460 2.844 50 0 EFAARO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cn2ccsc2n1 ZINC000091425311 218003964 /nfs/dbraw/zinc/00/39/64/218003964.db2.gz NKNADUYODXOWOP-OAHLLOKOSA-N 1 0 340.452 2.963 50 0 EFAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)C1 ZINC000091426916 218004019 /nfs/dbraw/zinc/00/40/19/218004019.db2.gz QGBGWJURGDFFTH-HNNXBMFYSA-N 1 0 342.443 2.642 50 0 EFAARO Cc1ccc([C@H]2CN(C(=O)Cc3c(C)[nH]c4ccccc43)C[C@@H]2[NH3+])o1 ZINC000091440780 218006343 /nfs/dbraw/zinc/00/63/43/218006343.db2.gz CNZRJUDGCKCTGC-IRXDYDNUSA-N 1 0 337.423 2.874 50 0 EFAARO C[N@@H+]1CCN(Cc2ccccc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091460674 218009575 /nfs/dbraw/zinc/00/95/75/218009575.db2.gz UNYWMHUTXNYWHE-NRFANRHFSA-N 1 0 341.499 2.595 50 0 EFAARO Cc1cccc(C[NH+]2CCC3(CCC(=O)N(CCCO)C3)CC2)c1F ZINC000091871372 218081422 /nfs/dbraw/zinc/08/14/22/218081422.db2.gz UXPGEWIVYHNCTH-UHFFFAOYSA-N 1 0 348.462 2.721 50 0 EFAARO Cc1ccccc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000011853273 207003693 /nfs/dbraw/zinc/00/36/93/207003693.db2.gz PNCDZVBLRWCCFB-UHFFFAOYSA-N 1 0 337.467 2.937 50 0 EFAARO CC[NH+](CC)CCOC(=O)C[C@](C)(O)[C@@H]1CCO[C@@](C)(CC)C1 ZINC000012658449 207188860 /nfs/dbraw/zinc/18/88/60/207188860.db2.gz NJVWNHTWZNLWLA-NJAFHUGGSA-N 1 0 329.481 2.608 50 0 biogenic EFAARO COc1cc(OC)cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000013011102 207274566 /nfs/dbraw/zinc/27/45/66/207274566.db2.gz ITQBIOKNEWOPNX-INIZCTEOSA-N 1 0 334.441 2.798 50 0 EFAARO CC(C)Cc1cc(CSc2nnc([C@@H]3CCC[NH2+]C3)n2C)no1 ZINC000426684533 257958806 /nfs/dbraw/zinc/95/88/06/257958806.db2.gz RENXNKWMTYTGKW-GFCCVEGCSA-N 1 0 335.477 2.761 50 0 EFAARO COc1ccc(-c2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)cn1 ZINC000426597367 257961752 /nfs/dbraw/zinc/96/17/52/257961752.db2.gz GHNNDZZBCUTDIL-UHFFFAOYSA-N 1 0 339.439 2.973 50 0 EFAARO O=[n+]1c(-c2c(F)c(F)c(F)c(F)c2F)cn(O)c2c1CCCC2 ZINC000334157224 258004707 /nfs/dbraw/zinc/00/47/07/258004707.db2.gz VONMOWKQMOAQDU-UHFFFAOYSA-N 1 0 333.236 2.881 50 0 EFAARO O=C1CC[C@H](CC[NH2+]Cc2ccccn2)N1Cc1cccc(F)c1 ZINC000299770665 258083287 /nfs/dbraw/zinc/08/32/87/258083287.db2.gz ULYUZZOUBDDQAL-GOSISDBHSA-N 1 0 327.403 2.892 50 0 EFAARO CSc1ccccc1C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000299770842 258083340 /nfs/dbraw/zinc/08/33/40/258083340.db2.gz RMPZFHQYYALEDJ-UHFFFAOYSA-N 1 0 327.453 2.688 50 0 EFAARO Cc1nccn1CCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299771991 258083928 /nfs/dbraw/zinc/08/39/28/258083928.db2.gz YZLNYKJXKPCXNG-OTWHNJEPSA-N 1 0 338.455 2.533 50 0 EFAARO CCC(CC)[NH2+][C@@H]1C[C@@H](C(=O)NC)N(Cc2cccc(Cl)c2)C1 ZINC000299772189 258084354 /nfs/dbraw/zinc/08/43/54/258084354.db2.gz RVLVZGSMRGDTTG-SJORKVTESA-N 1 0 337.895 2.807 50 0 EFAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1cc(-c2ccccc2F)no1 ZINC000299773045 258084675 /nfs/dbraw/zinc/08/46/75/258084675.db2.gz DAGBFKMWPSEHOI-OLZOCXBDSA-N 1 0 329.375 2.581 50 0 EFAARO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(O)c3)CC2)c(C)n1 ZINC000299772555 258084794 /nfs/dbraw/zinc/08/47/94/258084794.db2.gz BKAVEINBNOBWCJ-UHFFFAOYSA-N 1 0 339.439 2.798 50 0 EFAARO CO[C@]12CC[N@H+](Cc3ccc4cccc(F)c4n3)[C@H]1C[C@@H](O)CC2 ZINC000299773121 258085550 /nfs/dbraw/zinc/08/55/50/258085550.db2.gz AQVBOILPLHACIS-VDZJLULYSA-N 1 0 330.403 2.878 50 0 EFAARO Cc1cc(CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000299773621 258085693 /nfs/dbraw/zinc/08/56/93/258085693.db2.gz GLVBYFFTTKHCIN-UHFFFAOYSA-N 1 0 327.428 2.554 50 0 EFAARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)Cc1nc3cc(Cl)ccc3[nH]1)C2 ZINC000299775697 258086076 /nfs/dbraw/zinc/08/60/76/258086076.db2.gz HEYALWNULHSVOT-FVGIMDHTSA-N 1 0 346.862 2.557 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)Nc2ccnn2C(C)C)CC1 ZINC000299775998 258086837 /nfs/dbraw/zinc/08/68/37/258086837.db2.gz MQSVFISESYQENF-UHFFFAOYSA-N 1 0 342.447 2.912 50 0 EFAARO CSCC[C@H]([NH3+])C(=O)NCCc1c(C)[nH]c2ccc(Cl)cc21 ZINC000299778134 258087539 /nfs/dbraw/zinc/08/75/39/258087539.db2.gz PJSXTXAVKGWHEJ-AWEZNQCLSA-N 1 0 339.892 2.869 50 0 EFAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000299779872 258089119 /nfs/dbraw/zinc/08/91/19/258089119.db2.gz QPRQTUORDQMUHO-AWEZNQCLSA-N 1 0 330.432 2.648 50 0 EFAARO Cc1cc(CC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)on1 ZINC000299781360 258090186 /nfs/dbraw/zinc/09/01/86/258090186.db2.gz WVOQEPMQUWOGPO-UHFFFAOYSA-N 1 0 341.455 2.693 50 0 EFAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)Nc1cnns1 ZINC000299783256 258091106 /nfs/dbraw/zinc/09/11/06/258091106.db2.gz ZJBUFBAUXFEHFV-UHFFFAOYSA-N 1 0 325.463 2.504 50 0 EFAARO Cc1nccn1[C@H](C)CC(=O)NCc1csc(N2CCCC2)n1 ZINC000299786151 258093146 /nfs/dbraw/zinc/09/31/46/258093146.db2.gz WDNHWMPDNHRMBI-GFCCVEGCSA-N 1 0 333.461 2.516 50 0 EFAARO Cc1ccc2nc(CNC(=O)CC[NH+]3CCCCCCC3)cn2c1 ZINC000299787103 258093817 /nfs/dbraw/zinc/09/38/17/258093817.db2.gz VCZWMWOTHDEDHB-UHFFFAOYSA-N 1 0 328.460 2.915 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cc4ccc(C)cc4[nH]c3=O)[C@H]1C[C@H](O)CC2 ZINC000299789670 258095854 /nfs/dbraw/zinc/09/58/54/258095854.db2.gz ZXJZBTDVFJLVNN-IMFGXOCKSA-N 1 0 342.439 2.753 50 0 EFAARO COCCN1C(=O)CC[C@H]1CC[NH2+]Cc1ccc2ccccc2c1 ZINC000299789575 258095880 /nfs/dbraw/zinc/09/58/80/258095880.db2.gz XLHIKANZJIMYJQ-IBGZPJMESA-N 1 0 326.440 2.957 50 0 EFAARO O=C(NCC[NH+]1CCC(CO)CC1)[C@H](c1ccccc1)C1CCCC1 ZINC000299796372 258100495 /nfs/dbraw/zinc/10/04/95/258100495.db2.gz MIGYBWSVOJPGAL-HXUWFJFHSA-N 1 0 344.499 2.781 50 0 EFAARO O=C(NC[C@]1(O)CCC[NH2+]C1)Nc1ccccc1-c1ccccc1 ZINC000299795766 258100557 /nfs/dbraw/zinc/10/05/57/258100557.db2.gz MDPJPDFJIHNCET-IBGZPJMESA-N 1 0 325.412 2.590 50 0 EFAARO Cc1n[nH]c(C)c1CC[N@@H+](C)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299798340 258102251 /nfs/dbraw/zinc/10/22/51/258102251.db2.gz SJSBVIWBGMPRBV-INIZCTEOSA-N 1 0 326.444 2.554 50 0 EFAARO CC(C)CNC(=O)c1cn(C2CC[NH+](CC3CCCCC3)CC2)nn1 ZINC000299756849 258074760 /nfs/dbraw/zinc/07/47/60/258074760.db2.gz HTQTYURBOCXNCC-UHFFFAOYSA-N 1 0 347.507 2.881 50 0 EFAARO CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(C)cc1OCCC[NH3+] ZINC000299757334 258075707 /nfs/dbraw/zinc/07/57/07/258075707.db2.gz LYPQSOYSTJYHSV-INIZCTEOSA-N 1 0 334.460 2.754 50 0 EFAARO CN(C)c1nc2cc(F)ccc2cc1C[NH2+]CCCN1CCCC1=O ZINC000299761699 258078476 /nfs/dbraw/zinc/07/84/76/258078476.db2.gz MYQUHQYCYQEZLD-UHFFFAOYSA-N 1 0 344.434 2.542 50 0 EFAARO COCC[NH2+]CC[C@H]1CCC(=O)N1CCC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000299765518 258081043 /nfs/dbraw/zinc/08/10/43/258081043.db2.gz ACDJGVLXBMDCCO-KSZLIROESA-N 1 0 334.504 2.986 50 0 EFAARO Cc1c(C(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1C ZINC000299768131 258082257 /nfs/dbraw/zinc/08/22/57/258082257.db2.gz HSYMDTZGNBEWFJ-SFHVURJKSA-N 1 0 325.456 2.976 50 0 EFAARO COc1cccc(C[N@H+]2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)c1OC ZINC000299768708 258082643 /nfs/dbraw/zinc/08/26/43/258082643.db2.gz OTWPSHODULAMPL-VDZJLULYSA-N 1 0 335.444 2.862 50 0 EFAARO OCC1CCN(c2ncc3c(n2)CCC[C@H]3[NH2+]C2CCCC2)CC1 ZINC000012438754 135694941 /nfs/dbraw/zinc/69/49/41/135694941.db2.gz ZOUKAUZMIBWDDG-QGZVFWFLSA-N 1 0 330.476 2.595 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 ZINC000016599357 273814590 /nfs/dbraw/zinc/81/45/90/273814590.db2.gz OEUZFAISSDFJLG-MRXNPFEDSA-N 1 0 336.391 2.826 50 0 EFAARO C[NH+]1CCN(c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc32)CC1 ZINC000064587610 273901505 /nfs/dbraw/zinc/90/15/05/273901505.db2.gz COJGNGNVZMGINY-UHFFFAOYSA-N 1 0 348.406 2.777 50 0 EFAARO COc1ccc2c(c1)[nH]cc2[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000019874285 274139996 /nfs/dbraw/zinc/13/99/96/274139996.db2.gz KLTQBYJBTFFGOR-INIZCTEOSA-N 1 0 332.367 2.623 50 0 EFAARO COc1ncccc1NC(=O)N(C)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000096180358 274170508 /nfs/dbraw/zinc/17/05/08/274170508.db2.gz XNFFREYHMXIMKY-MRXNPFEDSA-N 1 0 340.427 2.611 50 0 EFAARO O=C(C1CC[NH+](C[C@@]2(c3ccccc3)CCOC2)CC1)N1CCCC1 ZINC000215647765 274968735 /nfs/dbraw/zinc/96/87/35/274968735.db2.gz MVEPLIOTWHPWSN-NRFANRHFSA-N 1 0 342.483 2.679 50 0 EFAARO CC1(C)CNC(=O)c2[nH]c([C@@H]3CC[N@@H+](C4CCCCC4)C3)nc2C1 ZINC000095501523 276137844 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CN(C)[C@H](C(=O)NCc1ccccc1C[NH+](C)C)c1ccccc1F ZINC000091973988 289226012 /nfs/dbraw/zinc/22/60/12/289226012.db2.gz XIITXYYSJKSNSK-IBGZPJMESA-N 1 0 343.446 2.806 50 0 EFAARO CN(C)[C@@H](CN1CC2(CC[NH2+]CC2)CCC1=O)c1ccccc1Cl ZINC000091871291 289275275 /nfs/dbraw/zinc/27/52/75/289275275.db2.gz XCZOGAAKUZKAJH-KRWDZBQOSA-N 1 0 349.906 2.935 50 0 EFAARO Cc1cc(=O)oc2cc(OC[C@@H](O)C[NH+]3CCCCCC3)ccc12 ZINC000001522283 301068628 /nfs/dbraw/zinc/06/86/28/301068628.db2.gz KIMSYFTXAHKXOC-HNNXBMFYSA-N 1 0 331.412 2.717 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CCOC)c2ccccc12 ZINC000095474526 473211497 /nfs/dbraw/zinc/21/14/97/473211497.db2.gz CSEFWAAJNNJZNA-HNNXBMFYSA-N 1 0 329.444 2.502 50 0 EFAARO Cc1nc2sccc2c(N2CCC([NH2+]CCc3c[nH]cn3)CC2)n1 ZINC000095499689 473213121 /nfs/dbraw/zinc/21/31/21/473213121.db2.gz PAEHOKQIZSCQQW-UHFFFAOYSA-N 1 0 342.472 2.524 50 0 EFAARO Cc1ccc([C@@H]2CN(C(=O)c3ccncc3F)C[C@H]2[NH+](C)C)cc1 ZINC000095501838 473214901 /nfs/dbraw/zinc/21/49/01/473214901.db2.gz YGJQNXVSKWQKTD-FUHWJXTLSA-N 1 0 327.403 2.699 50 0 EFAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 ZINC000095504611 473215457 /nfs/dbraw/zinc/21/54/57/473215457.db2.gz HFNYCFMZTFFSPS-KRWDZBQOSA-N 1 0 346.434 2.531 50 0 EFAARO Cc1noc(-c2ccc(N3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)nc2)n1 ZINC000095506222 473215970 /nfs/dbraw/zinc/21/59/70/473215970.db2.gz UDXZBYMYRRTKSQ-NVXWUHKLSA-N 1 0 339.443 2.751 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000095511635 473216580 /nfs/dbraw/zinc/21/65/80/473216580.db2.gz DKOGPAGOAAORBI-HNNXBMFYSA-N 1 0 339.443 2.970 50 0 EFAARO CCCc1nc(C)cc(N2CCC([NH2+]Cc3cc(C)n[nH]3)CC2)n1 ZINC000095511578 473216809 /nfs/dbraw/zinc/21/68/09/473216809.db2.gz KQQAIXCFTWIOIU-UHFFFAOYSA-N 1 0 328.464 2.528 50 0 EFAARO O=C(C[N@@H+]1CCC[C@H](c2ccccc2)C1)N1CC(c2ccccn2)C1 ZINC000095515316 473218320 /nfs/dbraw/zinc/21/83/20/473218320.db2.gz UVYNIQOIGWLINF-SFHVURJKSA-N 1 0 335.451 2.887 50 0 EFAARO Cc1ccnc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)c1 ZINC000095517197 473218380 /nfs/dbraw/zinc/21/83/80/473218380.db2.gz GTGOCANJYYYTJQ-UHFFFAOYSA-N 1 0 327.476 2.922 50 0 EFAARO COC[C@H](Cc1ccccc1)NC(=O)CC1CC[NH+](C(C)C)CC1 ZINC000095520168 473218508 /nfs/dbraw/zinc/21/85/08/473218508.db2.gz APUJKQPOJJMGSJ-IBGZPJMESA-N 1 0 332.488 2.871 50 0 EFAARO Cn1ccc2ccc(C(=O)N3CCCO[C@@H](C[NH+]4CCCC4)C3)cc21 ZINC000095522335 473219238 /nfs/dbraw/zinc/21/92/38/473219238.db2.gz JUJBUUVAFUIVFI-SFHVURJKSA-N 1 0 341.455 2.505 50 0 EFAARO COCCC[NH+]1CCN(C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000095524006 473219774 /nfs/dbraw/zinc/21/97/74/473219774.db2.gz ZJTFWYHLDDJQSC-UHFFFAOYSA-N 1 0 325.840 2.834 50 0 EFAARO CN(CCC[NH2+]C1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000095524247 473220277 /nfs/dbraw/zinc/22/02/77/473220277.db2.gz JHTLEOOGMLEXKS-UHFFFAOYSA-N 1 0 325.460 2.562 50 0 EFAARO CCCC[NH+]1CCN(C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)CC1 ZINC000095525182 473220362 /nfs/dbraw/zinc/22/03/62/473220362.db2.gz CKVQHZWIIPFKMJ-UHFFFAOYSA-N 1 0 342.447 2.730 50 0 EFAARO Cc1c[nH]c(C(=O)N(CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000095529776 473221065 /nfs/dbraw/zinc/22/10/65/473221065.db2.gz IWIKEWNTMMJVJG-SFHVURJKSA-N 1 0 340.471 2.745 50 0 EFAARO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCCc2nc3ccccc3n2C)C1 ZINC000095527110 473221341 /nfs/dbraw/zinc/22/13/41/473221341.db2.gz ZDYHLETWELXGKS-INIZCTEOSA-N 1 0 342.487 2.743 50 0 EFAARO CCCc1cc(N2CCC([NH2+]CCc3cccnc3)CC2)nc(C)n1 ZINC000095527871 473221386 /nfs/dbraw/zinc/22/13/86/473221386.db2.gz UEBIDACAICZIEX-UHFFFAOYSA-N 1 0 339.487 2.934 50 0 EFAARO C[C@@H](O)c1cccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000095530453 473221868 /nfs/dbraw/zinc/22/18/68/473221868.db2.gz CCIPODQLAQRISF-OAHLLOKOSA-N 1 0 329.419 2.986 50 0 EFAARO O=C(NC(=O)C1(c2ccccc2)CCC1)OCC[NH+]1CCCCC1 ZINC000096027468 473257536 /nfs/dbraw/zinc/25/75/36/473257536.db2.gz QXRWIKHCQALHGX-UHFFFAOYSA-N 1 0 330.428 2.847 50 0 EFAARO Cc1cc(N2CCCN(C(=O)Cc3cc(F)cc(F)c3)CC2)cc[nH+]1 ZINC000082087584 473286306 /nfs/dbraw/zinc/28/63/06/473286306.db2.gz IJGRXXMXPJVLDP-UHFFFAOYSA-N 1 0 345.393 2.950 50 0 EFAARO CCc1cccc(OC2CN(C(=O)CC[N@@H+]3C[C@@H]4CC[C@H]3C4)C2)c1 ZINC000082097662 473288283 /nfs/dbraw/zinc/28/82/83/473288283.db2.gz JESSJNUHNXNCTQ-SJORKVTESA-N 1 0 328.456 2.713 50 0 EFAARO Cc1cccc(C)c1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082107224 473289315 /nfs/dbraw/zinc/28/93/15/473289315.db2.gz PFJHCKBGHVHFAG-NRFANRHFSA-N 1 0 344.499 2.890 50 0 EFAARO O=C(C[N@@H+]1CCC[C@@H](c2nccn2CC2CC2)C1)N1CCCCCC1 ZINC000082108893 473290150 /nfs/dbraw/zinc/29/01/50/473290150.db2.gz PIMCXXPHYIRKRV-GOSISDBHSA-N 1 0 344.503 2.875 50 0 EFAARO COc1ccc(C(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)cc1F ZINC000082109119 473290892 /nfs/dbraw/zinc/29/08/92/473290892.db2.gz NTDGPSFAHASMJB-UHFFFAOYSA-N 1 0 343.402 2.890 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)Cc2cccc(F)c2F)CC1 ZINC000082109271 473291535 /nfs/dbraw/zinc/29/15/35/473291535.db2.gz MXSDQPIGILQNKA-UHFFFAOYSA-N 1 0 345.393 2.950 50 0 EFAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)CC2)s1 ZINC000082116351 473292381 /nfs/dbraw/zinc/29/23/81/473292381.db2.gz YUCUVYYNTIADLR-AWEZNQCLSA-N 1 0 344.546 2.850 50 0 EFAARO CC[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2F)CC[N@@H+]1C(C)C ZINC000082120182 473293060 /nfs/dbraw/zinc/29/30/60/473293060.db2.gz HNGAWGBHOCNLFR-CYBMUJFWSA-N 1 0 328.378 2.978 50 0 EFAARO Cc1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)ccc1F ZINC000082136867 473293552 /nfs/dbraw/zinc/29/35/52/473293552.db2.gz HWBQHUQAIBCCCX-HXUWFJFHSA-N 1 0 348.462 2.721 50 0 EFAARO CCC(=O)c1ccc(OCC(=O)N2CCCC[C@H]([NH+](C)C)C2)cc1 ZINC000082126046 473294236 /nfs/dbraw/zinc/29/42/36/473294236.db2.gz WAPXEZRIBFPRDL-INIZCTEOSA-N 1 0 332.444 2.601 50 0 EFAARO C[C@@H](CCC(=O)N1CCN(c2ccccc2)C(=O)C1)[NH+]1CCCCC1 ZINC000082127964 473294400 /nfs/dbraw/zinc/29/44/00/473294400.db2.gz ZQZLWTAOSHFQQI-KRWDZBQOSA-N 1 0 343.471 2.516 50 0 EFAARO O=C1CC[C@]2(CCC[N@@H+](C3CCCCC3)C2)CN1CCc1c[nH]cn1 ZINC000082167017 473297113 /nfs/dbraw/zinc/29/71/13/473297113.db2.gz LZNLBCGBHPURCZ-FQEVSTJZSA-N 1 0 344.503 2.990 50 0 EFAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2cccc(Cl)c2)n1 ZINC000082230617 473299823 /nfs/dbraw/zinc/29/98/23/473299823.db2.gz CXCCPZFZCZZZBN-UHFFFAOYSA-N 1 0 333.823 2.712 50 0 EFAARO CC(C)(C)OC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000147210981 473307853 /nfs/dbraw/zinc/30/78/53/473307853.db2.gz SXQFCTNCKGGCEW-UHFFFAOYSA-N 1 0 334.460 2.928 50 0 EFAARO O=C(NCCCCC[NH+]1CCOCC1)Nc1cc(F)c(F)c(F)c1 ZINC000096133010 473309525 /nfs/dbraw/zinc/30/95/25/473309525.db2.gz WXZJLOQHJJKKCJ-UHFFFAOYSA-N 1 0 345.365 2.728 50 0 EFAARO Cn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2ccsc2)CC1 ZINC000096136392 473311102 /nfs/dbraw/zinc/31/11/02/473311102.db2.gz DNVUDHYXSRDEMR-UHFFFAOYSA-N 1 0 342.472 2.501 50 0 EFAARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000096140638 473313345 /nfs/dbraw/zinc/31/33/45/473313345.db2.gz BUEHKFRHNXFRBG-UHFFFAOYSA-N 1 0 331.464 2.641 50 0 EFAARO COCCN(C(=O)Nc1cc(OC)ccc1C)C1CC[NH+](C)CC1 ZINC000096162241 473319669 /nfs/dbraw/zinc/31/96/69/473319669.db2.gz YQYUXIDMNPRLRR-UHFFFAOYSA-N 1 0 335.448 2.578 50 0 EFAARO C[C@H](Cc1nc(CC2CC[NH+](C)CC2)nn1CCO)c1ccccc1 ZINC000096161850 473320437 /nfs/dbraw/zinc/32/04/37/473320437.db2.gz CGPYLTPTWJBRIH-MRXNPFEDSA-N 1 0 342.487 2.501 50 0 EFAARO Cn1nc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000096343513 473374508 /nfs/dbraw/zinc/37/45/08/473374508.db2.gz BVNOCQFUEAJMIL-GDBMZVCRSA-N 1 0 326.444 2.568 50 0 EFAARO C[NH+](C)CCCn1c2ccccc2n(C[C@H](O)c2ccccc2)c1=N ZINC000000092845 471321672 /nfs/dbraw/zinc/32/16/72/471321672.db2.gz UVJBTWROYOVWIY-IBGZPJMESA-N 1 0 338.455 2.608 50 0 EFAARO O=C1C[C@@H]([NH2+]CCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000000100458 471322718 /nfs/dbraw/zinc/32/27/18/471322718.db2.gz WLNUACLYCDXSIO-MRXNPFEDSA-N 1 0 328.799 2.804 50 0 EFAARO CC[NH+](CC)CCn1c2ccccc2n(CC(=O)c2ccco2)c1=N ZINC000000182192 471331148 /nfs/dbraw/zinc/33/11/48/471331148.db2.gz PMKQDYNOUBEMDB-UHFFFAOYSA-N 1 0 340.427 2.740 50 0 EFAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000000176270 471331887 /nfs/dbraw/zinc/33/18/87/471331887.db2.gz DIPYKFHAIZSMGP-KRWDZBQOSA-N 1 0 344.455 2.779 50 0 EFAARO Cc1ccc([C@@H](CC(=O)N2CC[NH2+]CC2)c2ccccc2)c(O)c1C ZINC000000213704 471335315 /nfs/dbraw/zinc/33/53/15/471335315.db2.gz BRGBGTPPOGEBIZ-IBGZPJMESA-N 1 0 338.451 2.963 50 0 EFAARO Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCC[NH+](C)C)c1C ZINC000000293595 471343303 /nfs/dbraw/zinc/34/33/03/471343303.db2.gz LYDVKJBWLIXPBX-UHFFFAOYSA-N 1 0 345.468 2.909 50 0 EFAARO COc1ccc(OC)c(C[NH+]2CCC(C(=O)NC(C)(C)C)CC2)c1 ZINC000000299596 471344963 /nfs/dbraw/zinc/34/49/63/471344963.db2.gz PFOKBIOALKBFOB-UHFFFAOYSA-N 1 0 334.460 2.831 50 0 EFAARO O=C(NC[C@@H]1CCCO1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000000317528 471346642 /nfs/dbraw/zinc/34/66/42/471346642.db2.gz ZVXUWDVMNSFWTK-IBGZPJMESA-N 1 0 330.472 2.626 50 0 EFAARO CC[NH+](CC)CCn1nc2c(c1C)c(=O)c1cc(OC)ccc1n2C ZINC000000390502 471354577 /nfs/dbraw/zinc/35/45/77/471354577.db2.gz YUGJLXLFBFLSGF-UHFFFAOYSA-N 1 0 342.443 2.547 50 0 EFAARO O=C(CC[N@@H+]1CCCC[C@@H]1c1cccnc1)NCN1CCCCC1 ZINC000000486097 471365557 /nfs/dbraw/zinc/36/55/57/471365557.db2.gz QWRXNRWLIDVDJT-GOSISDBHSA-N 1 0 330.476 2.558 50 0 biogenic EFAARO C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1 ZINC000000536842 471370096 /nfs/dbraw/zinc/37/00/96/471370096.db2.gz JDRLXUYWTQUQSW-SFHVURJKSA-N 1 0 348.402 2.900 50 0 EFAARO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000000766470 471376220 /nfs/dbraw/zinc/37/62/20/471376220.db2.gz COCHQTMBKQLTMT-SFHVURJKSA-N 1 0 330.472 2.926 50 0 EFAARO COc1cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)ccc1O ZINC000000819212 471377286 /nfs/dbraw/zinc/37/72/86/471377286.db2.gz RZCGOZFZSZDJDF-OAHLLOKOSA-N 1 0 346.471 2.871 50 0 EFAARO Cc1cc(=O)oc2cc(OC[C@H](O)C[NH+]3CCCCCC3)ccc12 ZINC000001522280 471392649 /nfs/dbraw/zinc/39/26/49/471392649.db2.gz KIMSYFTXAHKXOC-OAHLLOKOSA-N 1 0 331.412 2.717 50 0 EFAARO CC[NH+](CC)CCCNc1nc2sc3c(c2c2ncnn21)CCC3 ZINC000002209598 471404190 /nfs/dbraw/zinc/40/41/90/471404190.db2.gz GMPHTQAFHCLLOK-UHFFFAOYSA-N 1 0 344.488 2.972 50 0 EFAARO CCOC(=O)C1CC[NH+](C[C@@H](O)CO[C@@H](CC)c2ccccc2)CC1 ZINC000002694603 471416381 /nfs/dbraw/zinc/41/63/81/471416381.db2.gz CKONUNUKDQTABY-MOPGFXCFSA-N 1 0 349.471 2.790 50 0 EFAARO CCOC(=O)C1CC[NH+](C[C@H](O)CO[C@H](CC)c2ccccc2)CC1 ZINC000002694607 471416668 /nfs/dbraw/zinc/41/66/68/471416668.db2.gz CKONUNUKDQTABY-RBUKOAKNSA-N 1 0 349.471 2.790 50 0 EFAARO C[NH+](C)CCOC(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000002750838 471418475 /nfs/dbraw/zinc/41/84/75/471418475.db2.gz OFFMBALEWPTJLY-UHFFFAOYSA-N 1 0 337.313 2.822 50 0 EFAARO COc1ccc(OC)c([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c1 ZINC000003127863 471433313 /nfs/dbraw/zinc/43/33/13/471433313.db2.gz CUXCCFIGJAVROM-LJQANCHMSA-N 1 0 329.396 2.956 50 0 EFAARO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000004023017 471456766 /nfs/dbraw/zinc/45/67/66/471456766.db2.gz HEBNAYZDCNQROW-KSMMKXTCSA-N 1 0 327.380 2.645 50 0 biogenic EFAARO CCOC(=O)c1oc2cccc(OC[C@H](O)C[NH2+]C(C)C)c2c1C ZINC000004008294 471457586 /nfs/dbraw/zinc/45/75/86/471457586.db2.gz QVJVMNUTCGTBCH-CYBMUJFWSA-N 1 0 335.400 2.656 50 0 EFAARO Cc1c(C(=O)C(=O)NCCC[NH+]2CCCCC2)c2ccccc2n1C ZINC000004062696 471458324 /nfs/dbraw/zinc/45/83/24/471458324.db2.gz FFFGMMRZHUXEJI-UHFFFAOYSA-N 1 0 341.455 2.662 50 0 EFAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000004163113 471460061 /nfs/dbraw/zinc/46/00/61/471460061.db2.gz YNINIGHUDCXZKW-AWEZNQCLSA-N 1 0 329.444 2.977 50 0 EFAARO CCOC(=O)c1c2c(sc1NC(=O)CN1CCCCC1)CCC2 ZINC000004150899 471460136 /nfs/dbraw/zinc/46/01/36/471460136.db2.gz YXDCEPCXSHTKJK-UHFFFAOYSA-N 1 0 336.457 2.838 50 0 EFAARO CCOC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000004264048 471462167 /nfs/dbraw/zinc/46/21/67/471462167.db2.gz CLWZDTIJKOLXEG-KRWDZBQOSA-N 1 0 349.471 2.825 50 0 EFAARO CC1CC[NH+](C[C@H](O)COCCOc2ccc(Cl)cc2)CC1 ZINC000004279081 471463214 /nfs/dbraw/zinc/46/32/14/471463214.db2.gz IJYGSASZDVAIMV-INIZCTEOSA-N 1 0 327.852 2.828 50 0 EFAARO CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)OC2=O ZINC000004553940 471469495 /nfs/dbraw/zinc/46/94/95/471469495.db2.gz CUZDFAGGVFIPNK-RBUKOAKNSA-N 1 0 336.476 2.534 50 0 biogenic EFAARO CCOc1ccc(N2C(=O)C[C@H]([NH+]3C[C@@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000004648943 471470932 /nfs/dbraw/zinc/47/09/32/471470932.db2.gz OUXYCWKAVWSYKK-ZQIUZPCESA-N 1 0 330.428 2.695 50 0 EFAARO C[C@@H](C[NH+]1CCCC1)OC(=O)COc1ccc(Br)cc1 ZINC000004723162 471472678 /nfs/dbraw/zinc/47/26/78/471472678.db2.gz NMFJUBUIQUYPCN-LBPRGKRZSA-N 1 0 342.233 2.855 50 0 EFAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004859870 471477812 /nfs/dbraw/zinc/47/78/12/471477812.db2.gz JFKFPKNQDPWYHP-BETUJISGSA-N 1 0 343.427 2.871 50 0 EFAARO CC[NH+](CC)CC(=O)Nc1cccc(I)c1 ZINC000004991407 471481816 /nfs/dbraw/zinc/48/18/16/471481816.db2.gz BDDPEXIVXXOVKG-UHFFFAOYSA-N 1 0 332.185 2.572 50 0 EFAARO C[NH+]1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000004981347 471481902 /nfs/dbraw/zinc/48/19/02/471481902.db2.gz UVLWLYGPCRPEJB-UHFFFAOYSA-N 1 0 327.394 2.922 50 0 EFAARO Cn1c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)cc2n(C)c1=O ZINC000004993740 471483439 /nfs/dbraw/zinc/48/34/39/471483439.db2.gz LUYPXBWIQNSAAD-UHFFFAOYSA-N 1 0 325.456 2.791 50 0 EFAARO CCC[NH+]1CCC(NC(=S)Nc2ccc(OC)c(OC)c2)CC1 ZINC000005041884 471484261 /nfs/dbraw/zinc/48/42/61/471484261.db2.gz HCVSVMKBZZBYHE-UHFFFAOYSA-N 1 0 337.489 2.865 50 0 EFAARO Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)oc2c1[C@@H](O)CC(C)(C)C2 ZINC000005270171 471496562 /nfs/dbraw/zinc/49/65/62/471496562.db2.gz QSVSVPXVBUMLQM-AWEZNQCLSA-N 1 0 334.460 2.760 50 0 EFAARO COc1ccc(C(NC(=O)[C@@H]2CCC[NH2+]2)c2ccc(OC)cc2)cc1 ZINC000006457654 471545979 /nfs/dbraw/zinc/54/59/79/471545979.db2.gz OYJOLJUIMPKTKZ-SFHVURJKSA-N 1 0 340.423 2.661 50 0 EFAARO C[NH+](C)CCCNc1ncnc2c1cnn2Cc1ccccc1Cl ZINC000006759637 471566638 /nfs/dbraw/zinc/56/66/38/471566638.db2.gz MVEUPTPQYFOUGX-UHFFFAOYSA-N 1 0 344.850 2.892 50 0 EFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000006769327 471567977 /nfs/dbraw/zinc/56/79/77/471567977.db2.gz MFRVEGQORUJNNL-INIZCTEOSA-N 1 0 343.471 2.808 50 0 EFAARO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[N@H+](C)C1CCN(C)CC1 ZINC000008717534 471701029 /nfs/dbraw/zinc/70/10/29/471701029.db2.gz NKKOZBDNURQYJW-UHFFFAOYSA-N 1 0 342.487 2.841 50 0 EFAARO CC(C)c1ccc([C@H]2NC(=[NH2+])Nc3nc(=O)c4ccccc4n32)cc1 ZINC000008913866 471706815 /nfs/dbraw/zinc/70/68/15/471706815.db2.gz KMJPPKARCCNADU-INIZCTEOSA-N 1 0 333.395 2.616 50 0 EFAARO Cc1ccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009305654 471713520 /nfs/dbraw/zinc/71/35/20/471713520.db2.gz SKBUUMAGEHIABB-QGZVFWFLSA-N 1 0 328.412 2.920 50 0 EFAARO Cc1cc(N2CC[NH+](C)CC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000009341694 471715036 /nfs/dbraw/zinc/71/50/36/471715036.db2.gz SKCKMKYQUZQCBF-UHFFFAOYSA-N 1 0 325.391 2.596 50 0 EFAARO Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)[NH+](C)C)cc1 ZINC000010017937 471725754 /nfs/dbraw/zinc/72/57/54/471725754.db2.gz ACGTZGHZXYETKQ-SFHVURJKSA-N 1 0 330.403 2.932 50 0 EFAARO Cn1nnnc1SCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000010434520 471735192 /nfs/dbraw/zinc/73/51/92/471735192.db2.gz LSZRWDWASUNLCF-UHFFFAOYSA-N 1 0 331.367 2.501 50 0 EFAARO O=C(NCC[NH+]1CCCCC1)c1coc(COc2ccc(F)cc2)n1 ZINC000011873993 471759476 /nfs/dbraw/zinc/75/94/76/471759476.db2.gz CVWUVEITSDYVTO-UHFFFAOYSA-N 1 0 347.390 2.608 50 0 EFAARO CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000011842287 471759809 /nfs/dbraw/zinc/75/98/09/471759809.db2.gz ZQIJEFBSKBFRKA-IBGZPJMESA-N 1 0 343.515 2.841 50 0 EFAARO CCCCN1C(=O)CC[C@H]1CC[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000011880700 471760034 /nfs/dbraw/zinc/76/00/34/471760034.db2.gz ZZNMYQCUQZMZFF-KRWDZBQOSA-N 1 0 332.444 2.744 50 0 EFAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1)NC1CC1 ZINC000011873786 471760203 /nfs/dbraw/zinc/76/02/03/471760203.db2.gz LYGHEJCPEGYHAR-ZDUSSCGKSA-N 1 0 344.484 2.962 50 0 EFAARO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011841730 471760240 /nfs/dbraw/zinc/76/02/40/471760240.db2.gz OTCLXHMQQYILQS-FQEVSTJZSA-N 1 0 331.456 2.836 50 0 EFAARO CCN1CCN(C(=O)CCC2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000011840884 471760590 /nfs/dbraw/zinc/76/05/90/471760590.db2.gz IPQXSGNIYZQTIM-FQEVSTJZSA-N 1 0 347.547 2.999 50 0 EFAARO CN(C(=O)c1cnccn1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012001825 471762210 /nfs/dbraw/zinc/76/22/10/471762210.db2.gz VGOVHWCLKVQXLW-SFHVURJKSA-N 1 0 338.455 2.646 50 0 EFAARO CC(C)(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)c3csnn3)CC2)C1 ZINC000012023762 471762947 /nfs/dbraw/zinc/76/29/47/471762947.db2.gz ATOLYGXXIUPNAX-AWEZNQCLSA-N 1 0 336.505 2.758 50 0 EFAARO CC(C)CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1 ZINC000012057005 471763299 /nfs/dbraw/zinc/76/32/99/471763299.db2.gz DEGIBWQHOTVXHO-HNNXBMFYSA-N 1 0 334.464 2.541 50 0 EFAARO O=C1C[C@@H]([NH2+]Cc2cccc(O)c2)CN1CCc1cccc(Cl)c1 ZINC000012075755 471764119 /nfs/dbraw/zinc/76/41/19/471764119.db2.gz XTDRRGLTGYLTPY-QGZVFWFLSA-N 1 0 344.842 2.979 50 0 EFAARO O=C1CC[N@@H+](C2C3CC4CC(C3)CC2C4)CCN1Cc1ccncc1 ZINC000012151711 471765794 /nfs/dbraw/zinc/76/57/94/471765794.db2.gz XSEUJRXTDSEYCO-UHFFFAOYSA-N 1 0 339.483 2.941 50 0 EFAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 ZINC000012196449 471768260 /nfs/dbraw/zinc/76/82/60/471768260.db2.gz OSVSYZOCTQGJEL-HNNXBMFYSA-N 1 0 348.349 2.726 50 0 EFAARO Cc1cc(C(=O)N(CC[NH+](C)C)c2nc3ccccc3s2)n(C)n1 ZINC000012229334 471768816 /nfs/dbraw/zinc/76/88/16/471768816.db2.gz BIYZTVFBQADQKW-UHFFFAOYSA-N 1 0 343.456 2.547 50 0 EFAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000012206733 471769331 /nfs/dbraw/zinc/76/93/31/471769331.db2.gz ZBEOIYWEIPIGHG-HXUWFJFHSA-N 1 0 347.455 2.803 50 0 EFAARO CC[NH+](CC)CCCNC(=O)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000012322148 471772580 /nfs/dbraw/zinc/77/25/80/471772580.db2.gz WUUCGNPZZFTMOP-UHFFFAOYSA-N 1 0 341.415 2.680 50 0 EFAARO COc1cccc(OC)c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000012363323 471773287 /nfs/dbraw/zinc/77/32/87/471773287.db2.gz GXTIORNHWPWUGM-UHFFFAOYSA-N 1 0 332.444 2.794 50 0 EFAARO CC(C)[NH+]1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000012382500 471773439 /nfs/dbraw/zinc/77/34/39/471773439.db2.gz CGXUTJRXAOIBAE-UHFFFAOYSA-N 1 0 328.815 2.847 50 0 EFAARO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](C)CC1 ZINC000012380611 471773493 /nfs/dbraw/zinc/77/34/93/471773493.db2.gz YUJBDISQHQRHJN-JTQLQIEISA-N 1 0 331.243 2.971 50 0 EFAARO C/C=C(\C)C[NH2+]Cc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000012387310 471774603 /nfs/dbraw/zinc/77/46/03/471774603.db2.gz PVLSBMRJCAVJQA-IJUHEHPCSA-N 1 0 337.471 2.859 50 0 EFAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000012432590 471775423 /nfs/dbraw/zinc/77/54/23/471775423.db2.gz ZQCQNAAVFIZEOB-UHFFFAOYSA-N 1 0 341.455 2.808 50 0 EFAARO OCC1CCN(c2ncc3c(n2)CCC[C@@H]3[NH2+]C2CCCC2)CC1 ZINC000012438753 471775684 /nfs/dbraw/zinc/77/56/84/471775684.db2.gz ZOUKAUZMIBWDDG-KRWDZBQOSA-N 1 0 330.476 2.595 50 0 EFAARO C[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@@H]1COCCO1 ZINC000012445385 471776036 /nfs/dbraw/zinc/77/60/36/471776036.db2.gz STGQDRDXMIJIFW-OAHLLOKOSA-N 1 0 327.384 2.670 50 0 EFAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccncc2)C1)c1ccc(F)cc1 ZINC000012448774 471776771 /nfs/dbraw/zinc/77/67/71/471776771.db2.gz KUJCSMNDMFWZFZ-INIZCTEOSA-N 1 0 327.403 2.863 50 0 EFAARO CC1CC[NH+](C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000012570730 471783127 /nfs/dbraw/zinc/78/31/27/471783127.db2.gz JSBUZUYSLXVBMY-OAQYLSRUSA-N 1 0 344.499 2.705 50 0 EFAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)C1CC1 ZINC000012590806 471783912 /nfs/dbraw/zinc/78/39/12/471783912.db2.gz MLQLXWLUGACSQZ-UHFFFAOYSA-N 1 0 348.462 2.923 50 0 EFAARO CC(=O)Nc1ccc(C[NH+]2CCC(CCC(=O)NC3CC3)CC2)cc1 ZINC000012705368 471790322 /nfs/dbraw/zinc/79/03/22/471790322.db2.gz BASMTBYCUNOINH-UHFFFAOYSA-N 1 0 343.471 2.916 50 0 EFAARO Cc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000012752598 471793304 /nfs/dbraw/zinc/79/33/04/471793304.db2.gz YSXDKGGNYKSJJB-IBGZPJMESA-N 1 0 336.451 2.623 50 0 EFAARO Cc1nnsc1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000012762513 471794349 /nfs/dbraw/zinc/79/43/49/471794349.db2.gz RMZYRMQLPVVICF-HNNXBMFYSA-N 1 0 330.457 2.583 50 0 EFAARO O=C(c1cn(C2CCCCC2)nn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000012759875 471794687 /nfs/dbraw/zinc/79/46/87/471794687.db2.gz BNVFHMFPHBWERJ-UHFFFAOYSA-N 1 0 345.491 2.874 50 0 EFAARO C[NH+](C)CCCN1Cn2c3ccccc3nc2N(Cc2ccco2)C1 ZINC000013637760 471836535 /nfs/dbraw/zinc/83/65/35/471836535.db2.gz NYMVQVLJXNDAIU-UHFFFAOYSA-N 1 0 339.443 2.818 50 0 EFAARO CC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OCC)c1 ZINC000013717717 471840829 /nfs/dbraw/zinc/84/08/29/471840829.db2.gz QTNHQVVXZQKLBF-UHFFFAOYSA-N 1 0 339.399 2.963 50 0 EFAARO Cc1ccc(C)n1-c1nc2ccc(C(=O)NCC[NH+](C)C)cc2s1 ZINC000013735827 471843112 /nfs/dbraw/zinc/84/31/12/471843112.db2.gz CRDNIYUFYOTXIT-UHFFFAOYSA-N 1 0 342.468 2.995 50 0 EFAARO COc1ccc(CN2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000013748068 471843236 /nfs/dbraw/zinc/84/32/36/471843236.db2.gz YODNBRNXOMARSA-IYBDPMFKSA-N 1 0 348.487 2.777 50 0 EFAARO CC[NH+]1CCN(c2nc(CSc3ccc(C)cc3)cc(=O)[nH]2)CC1 ZINC000013945713 471845108 /nfs/dbraw/zinc/84/51/08/471845108.db2.gz QFNQIUHDSGFVFO-UHFFFAOYSA-N 1 0 344.484 2.513 50 0 EFAARO CC(C)C[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 ZINC000014731767 471877542 /nfs/dbraw/zinc/87/75/42/471877542.db2.gz KVMRJLHLXMWKDQ-UHFFFAOYSA-N 1 0 329.444 2.571 50 0 EFAARO CC(C)[NH2+][C@@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 ZINC000014731741 471877806 /nfs/dbraw/zinc/87/78/06/471877806.db2.gz IOGVZTPJRGESFP-MRXNPFEDSA-N 1 0 340.471 2.548 50 0 EFAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]C1CCCC1)C2 ZINC000014747139 471878258 /nfs/dbraw/zinc/87/82/58/471878258.db2.gz DBYGUTHASKOXLM-HNNXBMFYSA-N 1 0 332.492 2.630 50 0 EFAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C ZINC000014745250 471878654 /nfs/dbraw/zinc/87/86/54/471878654.db2.gz CYOQYFACQLZVBV-OAHLLOKOSA-N 1 0 329.444 2.714 50 0 EFAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(NC(C)(C)C)nc2)C1 ZINC000014950831 471882927 /nfs/dbraw/zinc/88/29/27/471882927.db2.gz XBJFOZCGAWZEIB-OAHLLOKOSA-N 1 0 332.492 3.000 50 0 EFAARO CC(C)(C)C[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1 ZINC000014954481 471883456 /nfs/dbraw/zinc/88/34/56/471883456.db2.gz KZYGXCFDDNBJJW-AWEZNQCLSA-N 1 0 334.464 2.541 50 0 EFAARO CCCn1cc(C[NH2+][C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c(C)n1 ZINC000014971031 471883896 /nfs/dbraw/zinc/88/38/96/471883896.db2.gz ZQZWUDZTIHKUEB-GOSISDBHSA-N 1 0 344.434 2.631 50 0 EFAARO Cn1cc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c(-c2ccccc2)n1 ZINC000014971439 471884621 /nfs/dbraw/zinc/88/46/21/471884621.db2.gz NTAVLVNEAIXEAQ-SFHVURJKSA-N 1 0 348.454 2.636 50 0 EFAARO CC(C)(CO)C[NH2+][C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000015063652 471887448 /nfs/dbraw/zinc/88/74/48/471887448.db2.gz ZYWWRSDMUAQQPD-ZDUSSCGKSA-N 1 0 331.382 2.677 50 0 EFAARO COc1cc(C[C@H]2CC(C[NH+]3CCCCC3)=NO2)cc2c1OCO2 ZINC000015085672 471888961 /nfs/dbraw/zinc/88/89/61/471888961.db2.gz PWBNIKLMOZLDGM-HNNXBMFYSA-N 1 0 332.400 2.597 50 0 EFAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CCC(N)=O)CC2 ZINC000015083053 471889271 /nfs/dbraw/zinc/88/92/71/471889271.db2.gz YMVNEOZGJQBOGY-HXUWFJFHSA-N 1 0 340.423 2.527 50 0 biogenic EFAARO CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccccc1 ZINC000015746129 471916258 /nfs/dbraw/zinc/91/62/58/471916258.db2.gz WTKWVKJWNJHISR-MRXNPFEDSA-N 1 0 325.432 2.858 50 0 EFAARO CC[NH+]1CCN(c2ncnc3c2cnn3-c2cc(C)ccc2C)CC1 ZINC000015880895 471921192 /nfs/dbraw/zinc/92/11/92/471921192.db2.gz HTIRBFQMCQTABJ-UHFFFAOYSA-N 1 0 336.443 2.574 50 0 EFAARO O=C(Nc1ccc2c(c1)OCCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000017072019 471956079 /nfs/dbraw/zinc/95/60/79/471956079.db2.gz HEUYHXUSDPFPCU-UHFFFAOYSA-N 1 0 345.443 2.940 50 0 EFAARO CC[NH+]1CCC(NC(=S)Nc2sc(C)cc2C(=O)OC)CC1 ZINC000017071473 471956533 /nfs/dbraw/zinc/95/65/33/471956533.db2.gz UGCQAVSHXSAEHK-UHFFFAOYSA-N 1 0 341.502 2.614 50 0 EFAARO CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019537600 471981034 /nfs/dbraw/zinc/98/10/34/471981034.db2.gz YKVWVMYXYVXVLF-FQEVSTJZSA-N 1 0 340.467 2.811 50 0 EFAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C)CC4)[C@H]3C=C12 ZINC000019703189 471983188 /nfs/dbraw/zinc/98/31/88/471983188.db2.gz GGQNKELRRAZPBI-CZMKXJCESA-N 1 0 332.488 2.548 50 0 biogenic EFAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000019790835 471984264 /nfs/dbraw/zinc/98/42/64/471984264.db2.gz IACMEBPLMXVSSN-FQEVSTJZSA-N 1 0 340.467 2.865 50 0 EFAARO CC[NH+](CC)CCNc1ncnc2c1ncn2-c1ccc(OC)cc1 ZINC000019926011 471986172 /nfs/dbraw/zinc/98/61/72/471986172.db2.gz MMEJRTCHSZQDDH-UHFFFAOYSA-N 1 0 340.431 2.578 50 0 EFAARO CC(C)CCc1cc(=O)[nH]c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000022448945 472014963 /nfs/dbraw/zinc/01/49/63/472014963.db2.gz OQJLJLWCQFEGKT-UHFFFAOYSA-N 1 0 340.471 2.681 50 0 EFAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c(F)c1 ZINC000039413266 472022822 /nfs/dbraw/zinc/02/28/22/472022822.db2.gz MXLYAIRFZVNUPP-QGZVFWFLSA-N 1 0 336.451 2.646 50 0 EFAARO CCCCc1nc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c[nH]1 ZINC000039533778 472024392 /nfs/dbraw/zinc/02/43/92/472024392.db2.gz HJWZPLXCWRKCFH-GOSISDBHSA-N 1 0 334.508 2.564 50 0 EFAARO CC(C)c1cc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)[nH]n1 ZINC000039537778 472024426 /nfs/dbraw/zinc/02/44/26/472024426.db2.gz AZHDJHDLWIAHQY-LJQANCHMSA-N 1 0 348.535 2.982 50 0 EFAARO c1cnn(-c2ccc(N3CCC([NH2+]C[C@@H]4CCCCO4)CC3)cc2)c1 ZINC000023431374 472033383 /nfs/dbraw/zinc/03/33/83/472033383.db2.gz UGAYYKMQHSCVPD-FQEVSTJZSA-N 1 0 340.471 3.000 50 0 EFAARO Cc1c2cc(C)ccc2[nH]c1C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000067431817 472033820 /nfs/dbraw/zinc/03/38/20/472033820.db2.gz YJTXQBCMLMIBOY-OAHLLOKOSA-N 1 0 349.500 2.546 50 0 EFAARO c1ccc(CNc2ncc(CN3CCC[N@@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000067446578 472034909 /nfs/dbraw/zinc/03/49/09/472034909.db2.gz YLJVYPDSRRTFDJ-IBGZPJMESA-N 1 0 337.471 2.759 50 0 EFAARO Cc1ccc(Oc2ncccc2CNC(=O)[C@H](C)[NH+]2CCCC2)cn1 ZINC000067457885 472036714 /nfs/dbraw/zinc/03/67/14/472036714.db2.gz DKVRFAHTSFGTKN-HNNXBMFYSA-N 1 0 340.427 2.678 50 0 EFAARO O=C(Cc1cccc(F)c1F)NC[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000067458231 472037139 /nfs/dbraw/zinc/03/71/39/472037139.db2.gz ZXSKSDGSPLQMEL-CYBMUJFWSA-N 1 0 334.366 2.739 50 0 EFAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)C=C(C)C)C2)c1C ZINC000067540753 472046584 /nfs/dbraw/zinc/04/65/84/472046584.db2.gz PNBMHLGVCMMFOQ-QGZVFWFLSA-N 1 0 332.492 2.814 50 0 EFAARO CCOC(=O)N1CCC([NH2+]CCc2nc3c(ccc(C)c3C)[nH]2)CC1 ZINC000067562019 472050539 /nfs/dbraw/zinc/05/05/39/472050539.db2.gz CCKAEQRCMKOWCZ-UHFFFAOYSA-N 1 0 344.459 2.933 50 0 EFAARO O=C1CCC2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)CCN1 ZINC000067562997 472050686 /nfs/dbraw/zinc/05/06/86/472050686.db2.gz NZOLIIVCTCWOJS-UHFFFAOYSA-N 1 0 328.416 2.552 50 0 EFAARO C[C@@H]1CCC[N@H+](CCCOc2ccc(CNN3CCOCC3)cc2)C1 ZINC000067601786 472056780 /nfs/dbraw/zinc/05/67/80/472056780.db2.gz XHADEFFEQIDTHY-GOSISDBHSA-N 1 0 347.503 2.524 50 0 EFAARO Cc1ccc(NC(=O)NCCNc2nc(N(C)C)cc(C)[nH+]2)c(C)c1 ZINC000067601941 472056876 /nfs/dbraw/zinc/05/68/76/472056876.db2.gz JDCRJBXXVGBTQH-UHFFFAOYSA-N 1 0 342.447 2.701 50 0 EFAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccccc2)[nH+]1 ZINC000067621735 472062947 /nfs/dbraw/zinc/06/29/47/472062947.db2.gz CYDLYQPXMUFFOQ-UHFFFAOYSA-N 1 0 339.443 2.617 50 0 EFAARO Cc1[nH+]c(CN2CCC(O)(c3ccc(C)cn3)CC2)c2ccccn12 ZINC000067677498 472069710 /nfs/dbraw/zinc/06/97/10/472069710.db2.gz NNBCLNMEGGWHAC-UHFFFAOYSA-N 1 0 336.439 2.830 50 0 EFAARO CCc1ccc(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)o1 ZINC000067712807 472078174 /nfs/dbraw/zinc/07/81/74/472078174.db2.gz KOEPKQFPXCLAAQ-DLBZAZTESA-N 1 0 329.396 2.921 50 0 EFAARO C[C@@H](COc1ccc2ccc(=O)oc2c1)[NH2+]Cc1cn2ccccc2n1 ZINC000067712909 472078258 /nfs/dbraw/zinc/07/82/58/472078258.db2.gz VAWWXLJNYGCIKW-AWEZNQCLSA-N 1 0 349.390 2.998 50 0 EFAARO C/C(=C\c1ccco1)C[N@@H+]1CC[C@H](CNC(=O)c2cncs2)C1 ZINC000067714158 472078751 /nfs/dbraw/zinc/07/87/51/472078751.db2.gz IUHWCKHDTSXDSE-WTWVRAIASA-N 1 0 331.441 2.891 50 0 EFAARO CC(C)n1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3ccncc3)C2)c1 ZINC000067725516 472079129 /nfs/dbraw/zinc/07/91/29/472079129.db2.gz TWANTXJGFNMWGL-MRXNPFEDSA-N 1 0 326.444 2.716 50 0 EFAARO Cc1cccc2[nH]c([C@H]3CCCN3c3cc(CC[NH3+])nc(C)n3)nc21 ZINC000067741576 472081882 /nfs/dbraw/zinc/08/18/82/472081882.db2.gz CXHQSYSVILNAQB-MRXNPFEDSA-N 1 0 336.443 2.812 50 0 EFAARO CC(=O)Nc1cccc(C(=O)N2CCCC3(CC[NH+](C)CC3)CC2)c1 ZINC000067741833 472081917 /nfs/dbraw/zinc/08/19/17/472081917.db2.gz TXPKMIVWXIBWRH-UHFFFAOYSA-N 1 0 343.471 2.983 50 0 EFAARO Cc1c(CN2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)[nH]c2c1cccc2Cl ZINC000067742913 472082423 /nfs/dbraw/zinc/08/24/23/472082423.db2.gz XYKDVHQBFVSXNP-WBMJQRKESA-N 1 0 348.878 2.556 50 0 EFAARO CCC(C)(C)[NH2+]C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067758822 472084918 /nfs/dbraw/zinc/08/49/18/472084918.db2.gz GHHHDRRORNNMPM-FQEVSTJZSA-N 1 0 332.488 2.751 50 0 EFAARO COc1cc2cc(CN(C)[C@H](C)c3ccon3)c(=O)[nH]c2cc1OC ZINC000067773204 472087906 /nfs/dbraw/zinc/08/79/06/472087906.db2.gz GFNOGHCBUQGOFJ-LLVKDONJSA-N 1 0 343.383 2.726 50 0 EFAARO Cc1cccn2cc(C(=O)N3CCCC4(CC[NH+](C)CC4)CC3)nc12 ZINC000067773477 472087999 /nfs/dbraw/zinc/08/79/99/472087999.db2.gz DNCGWXFCJDNTRG-UHFFFAOYSA-N 1 0 340.471 2.981 50 0 EFAARO Cc1ccc(-c2nc(CNC(=O)C3([NH3+])CC3)[nH]c2-c2ccccn2)cc1 ZINC000067773390 472088082 /nfs/dbraw/zinc/08/80/82/472088082.db2.gz KDPSIZLJDJZHML-UHFFFAOYSA-N 1 0 347.422 2.555 50 0 EFAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)Cn3ccnc3)C2)cc1 ZINC000067774588 472088430 /nfs/dbraw/zinc/08/84/30/472088430.db2.gz SLDRWYLMRQWQKK-KRWDZBQOSA-N 1 0 349.438 2.988 50 0 EFAARO C[C@@H]1C[N@H+](C2CCN(Cc3cc(C(C)(C)C)n[nH]3)CC2)C[C@H](C)O1 ZINC000067789600 472089126 /nfs/dbraw/zinc/08/91/26/472089126.db2.gz WAPFOLFTKWGKAL-GASCZTMLSA-N 1 0 334.508 2.781 50 0 EFAARO C=Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)COC)C3)C2)c1 ZINC000067788266 472089990 /nfs/dbraw/zinc/08/99/90/472089990.db2.gz SUWQZKKHVHCPBT-FQEVSTJZSA-N 1 0 328.456 2.791 50 0 EFAARO COC(=O)c1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000025328859 472090701 /nfs/dbraw/zinc/09/07/01/472090701.db2.gz SIUGDSXNVGNRLG-OAHLLOKOSA-N 1 0 332.425 2.567 50 0 EFAARO CN1CC[NH+](CCCn2ccnc2-c2ccc(F)cc2Cl)CC1 ZINC000067802978 472091215 /nfs/dbraw/zinc/09/12/15/472091215.db2.gz JALMDCCDZIFXHN-UHFFFAOYSA-N 1 0 336.842 2.980 50 0 EFAARO COc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000067805416 472091847 /nfs/dbraw/zinc/09/18/47/472091847.db2.gz UPKBYTVCGLNWOG-AWEZNQCLSA-N 1 0 335.448 2.946 50 0 EFAARO NC(=O)c1cncc(Oc2cccc(C[NH+]3CCCC3)c2Cl)n1 ZINC000067820263 472093887 /nfs/dbraw/zinc/09/38/87/472093887.db2.gz GXQBJCWMUZYHJS-UHFFFAOYSA-N 1 0 332.791 2.617 50 0 EFAARO CNc1cc(C)[nH+]c(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1 ZINC000067820910 472094298 /nfs/dbraw/zinc/09/42/98/472094298.db2.gz CMWANGUYEGBSLU-UHFFFAOYSA-N 1 0 338.390 2.731 50 0 EFAARO [NH3+]C[C@@H]1CCN(C(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)C1 ZINC000067834449 472096729 /nfs/dbraw/zinc/09/67/29/472096729.db2.gz MKBMKASODYPAAN-AWEZNQCLSA-N 1 0 348.402 2.881 50 0 EFAARO CCc1ccc(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)nc1 ZINC000067854814 472098552 /nfs/dbraw/zinc/09/85/52/472098552.db2.gz ZRAFFOZRSWDHQF-ZWKOTPCHSA-N 1 0 340.423 2.723 50 0 EFAARO Cc1ccc2c(c1)c(-c1nc(CC3CC[NH+](C)CC3)no1)nn2C ZINC000067856068 472098865 /nfs/dbraw/zinc/09/88/65/472098865.db2.gz HQXIKSWIZWDAHI-UHFFFAOYSA-N 1 0 325.416 2.816 50 0 EFAARO CCc1nn(C)c(Cl)c1CN1CCC[N@H+](Cc2ccncc2)CC1 ZINC000067868770 472102087 /nfs/dbraw/zinc/10/20/87/472102087.db2.gz SLBZEVPHNAONHO-UHFFFAOYSA-N 1 0 347.894 2.739 50 0 EFAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cnco3)C2)c(C)c1F ZINC000067868844 472102226 /nfs/dbraw/zinc/10/22/26/472102226.db2.gz XSLAIMWNCJESRT-CQSZACIVSA-N 1 0 331.391 2.682 50 0 EFAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccncn3)C2)cc1C ZINC000067879015 472103054 /nfs/dbraw/zinc/10/30/54/472103054.db2.gz SOOIBDFFMQJYHY-SFHVURJKSA-N 1 0 338.455 2.735 50 0 EFAARO Cc1c(NCc2ccccn2)cccc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000067896345 472106933 /nfs/dbraw/zinc/10/69/33/472106933.db2.gz GULMKTKENMHLNV-MRXNPFEDSA-N 1 0 338.455 2.684 50 0 EFAARO CCn1nc(C)c(NC(=O)C[NH2+]CCc2c[nH]c3ccccc23)c1C ZINC000067895304 472107076 /nfs/dbraw/zinc/10/70/76/472107076.db2.gz DASXZBYIEYMFEC-UHFFFAOYSA-N 1 0 339.443 2.772 50 0 EFAARO CNc1nc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)cc(C)[nH+]1 ZINC000067909776 472108659 /nfs/dbraw/zinc/10/86/59/472108659.db2.gz AIELEJNSYGSJLC-UHFFFAOYSA-N 1 0 338.390 2.731 50 0 EFAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(c1cc(Sc3cccs3)nc(N)n1)C2 ZINC000067921090 472109663 /nfs/dbraw/zinc/10/96/63/472109663.db2.gz QPIMEFGAPMDSCQ-NWDGAFQWSA-N 1 0 347.513 2.944 50 0 EFAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccncc2)C1)C1(C(F)(F)F)CC1 ZINC000067935432 472111327 /nfs/dbraw/zinc/11/13/27/472111327.db2.gz ZXBDBXAWLWZIQP-AWEZNQCLSA-N 1 0 341.377 2.752 50 0 EFAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)COc2cccnc2)cc1 ZINC000067947658 472113634 /nfs/dbraw/zinc/11/36/34/472113634.db2.gz DRYMERJZWVITKF-LJQANCHMSA-N 1 0 339.439 2.886 50 0 EFAARO CCc1nc(C)c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccco3)C2)o1 ZINC000067956431 472115645 /nfs/dbraw/zinc/11/56/45/472115645.db2.gz AAFHWBCTNFHVKR-CQSZACIVSA-N 1 0 331.416 2.780 50 0 EFAARO Cc1cnc(C(=O)NC[C@H]2CCC[N@H+](C/C=C/c3ccco3)C2)cn1 ZINC000067967501 472117440 /nfs/dbraw/zinc/11/74/40/472117440.db2.gz ASOOJGBPVHQMRD-WUTVXBCWSA-N 1 0 340.427 2.533 50 0 EFAARO CCn1c(CC2CC[NH+](C[C@H](C)c3ccccc3)CC2)nn(C)c1=O ZINC000067982866 472118243 /nfs/dbraw/zinc/11/82/43/472118243.db2.gz DYHDNYGHUJLJIR-INIZCTEOSA-N 1 0 342.487 2.660 50 0 EFAARO O=C([C@@H]1CCC[NH2+]1)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067973838 472118541 /nfs/dbraw/zinc/11/85/41/472118541.db2.gz IZQQPMZCALSMJC-KRWDZBQOSA-N 1 0 342.418 2.674 50 0 EFAARO CCC(CC)[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067983194 472118695 /nfs/dbraw/zinc/11/86/95/472118695.db2.gz AUGKPCULKZDZFW-SFHVURJKSA-N 1 0 340.414 2.597 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)ccc1NC(=O)C(C)C ZINC000055183205 472149136 /nfs/dbraw/zinc/14/91/36/472149136.db2.gz HCZGHXPETDMZEC-OAHLLOKOSA-N 1 0 331.460 2.804 50 0 EFAARO Cc1ccnc(C[C@@H](C)[N@H+](C)CCn2c3ccccc3oc2=O)c1 ZINC000055271812 472160223 /nfs/dbraw/zinc/16/02/23/472160223.db2.gz FPOCPBVTJRFNOK-OAHLLOKOSA-N 1 0 325.412 2.861 50 0 EFAARO Cc1c(C[NH2+]CCCc2ccncc2)c2ccccc2n1CC(N)=O ZINC000055271769 472160799 /nfs/dbraw/zinc/16/07/99/472160799.db2.gz XOYYPNAZDXPSPW-UHFFFAOYSA-N 1 0 336.439 2.552 50 0 EFAARO CC[C@@H](CO)[N@H+](CCn1c(=O)oc2ccccc21)Cc1ccsc1 ZINC000055282896 472163312 /nfs/dbraw/zinc/16/33/12/472163312.db2.gz JXZIZAHXRVYDLJ-HNNXBMFYSA-N 1 0 346.452 2.929 50 0 EFAARO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000055374396 472174399 /nfs/dbraw/zinc/17/43/99/472174399.db2.gz GWKOSVNUWISQIM-IRXDYDNUSA-N 1 0 336.501 2.880 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N(Cc2ccccn2)[C@H](CC)CO)CC1 ZINC000055385451 472175763 /nfs/dbraw/zinc/17/57/63/472175763.db2.gz LBSPYVGGPPLUTN-LJQANCHMSA-N 1 0 347.503 2.693 50 0 EFAARO COc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000027931633 472203485 /nfs/dbraw/zinc/20/34/85/472203485.db2.gz UNZCFEWHPPQYSS-UHFFFAOYSA-N 1 0 339.439 2.527 50 0 EFAARO CCc1oc(C(=O)N(CCO)Cc2ccco2)cc1C[NH+](CC)CC ZINC000055575496 472207335 /nfs/dbraw/zinc/20/73/35/472207335.db2.gz LZMAQZOHXXOFBP-UHFFFAOYSA-N 1 0 348.443 2.912 50 0 EFAARO Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)cc1 ZINC000031773293 472393493 /nfs/dbraw/zinc/39/34/93/472393493.db2.gz HWOVRAXVWMABQC-INIZCTEOSA-N 1 0 326.396 2.756 50 0 EFAARO COc1cccc(-c2nc3cccc(C)n3c2CN2CC[NH2+]CC2)c1 ZINC000031933249 472402730 /nfs/dbraw/zinc/40/27/30/472402730.db2.gz CWVRVECIPGLXTH-UHFFFAOYSA-N 1 0 336.439 2.724 50 0 EFAARO COCc1cc(C[N@@H+]2CCC[C@H](Cn3ccnc3)C2)ccc1OC ZINC000097515011 472499301 /nfs/dbraw/zinc/49/93/01/472499301.db2.gz XDAQBUJIHJEPCK-KRWDZBQOSA-N 1 0 329.444 2.950 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CC[C@H](n3nc(C)cc3C)C1)OCO2 ZINC000097528887 472499408 /nfs/dbraw/zinc/49/94/08/472499408.db2.gz UDOHTCWCJFYPLI-HNNXBMFYSA-N 1 0 329.400 2.684 50 0 EFAARO CCc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C)C2)no1 ZINC000097551299 472499910 /nfs/dbraw/zinc/49/99/10/472499910.db2.gz QILCMEOIVRMORI-OAHLLOKOSA-N 1 0 327.428 2.797 50 0 EFAARO Cc1c2cccc(F)c2[nH]c1C(=O)NCCC[N@@H+]1CCCC[C@H]1CO ZINC000097527898 472500366 /nfs/dbraw/zinc/50/03/66/472500366.db2.gz GSRPXAOWMVYMSK-AWEZNQCLSA-N 1 0 347.434 2.582 50 0 EFAARO CC(C)Cc1noc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)o2)n1 ZINC000097551429 472500388 /nfs/dbraw/zinc/50/03/88/472500388.db2.gz ZBBFKJBNRUPTHL-ZDUSSCGKSA-N 1 0 346.431 2.948 50 0 EFAARO CC1=C(CC[NH+]2CCN(CCn3cncn3)CC2)C(C)(C)CCC1 ZINC000097601137 472501494 /nfs/dbraw/zinc/50/14/94/472501494.db2.gz HOQRAIXJXLJEQD-UHFFFAOYSA-N 1 0 331.508 2.812 50 0 EFAARO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@]2(CN(C)C(=O)O2)CC1 ZINC000097642624 472503370 /nfs/dbraw/zinc/50/33/70/472503370.db2.gz XQKSWCPOWHYHOJ-IBGZPJMESA-N 1 0 340.427 2.745 50 0 EFAARO O=C(NC[C@]1(O)CCC[NH2+]C1)Nc1cccc(Cc2ccccc2)c1 ZINC000097713644 472505782 /nfs/dbraw/zinc/50/57/82/472505782.db2.gz YMDGTTZZPNAJKV-FQEVSTJZSA-N 1 0 339.439 2.513 50 0 EFAARO Cn1cnnc1C1CC[NH+](Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000097744934 472507030 /nfs/dbraw/zinc/50/70/30/472507030.db2.gz DBHRFWVXJADHCS-UHFFFAOYSA-N 1 0 340.406 2.724 50 0 EFAARO OC1(Cn2ccnc2)CC[NH+](Cc2ccc([C@@H]3CCCCO3)o2)CC1 ZINC000097819465 472507519 /nfs/dbraw/zinc/50/75/19/472507519.db2.gz NLMKIECXZQVLRI-KRWDZBQOSA-N 1 0 345.443 2.745 50 0 EFAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCN[C@H](c2ccccc2)C1 ZINC000097797510 472508307 /nfs/dbraw/zinc/50/83/07/472508307.db2.gz NBCVBXDTDJPFGQ-SFHVURJKSA-N 1 0 339.439 2.662 50 0 EFAARO OC1(Cn2ccnc2)CC[NH+](Cc2ccc([C@H]3CCCCO3)o2)CC1 ZINC000097819466 472508444 /nfs/dbraw/zinc/50/84/44/472508444.db2.gz NLMKIECXZQVLRI-QGZVFWFLSA-N 1 0 345.443 2.745 50 0 EFAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000097773263 472508580 /nfs/dbraw/zinc/50/85/80/472508580.db2.gz FQUKTNNDIRSUKK-ZDUSSCGKSA-N 1 0 342.418 2.915 50 0 EFAARO CC(C)(C)OC(=O)CN(C[C@H]1CCC[NH2+]C1)C(=O)OC(C)(C)C ZINC000098095388 472517009 /nfs/dbraw/zinc/51/70/09/472517009.db2.gz NNWQEGZTFIOUSA-ZDUSSCGKSA-N 1 0 328.453 2.565 50 0 EFAARO O=C(CCc1cc(Cl)no1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077555132 472554909 /nfs/dbraw/zinc/55/49/09/472554909.db2.gz KCQJQOKQGIZRLT-UHFFFAOYSA-N 1 0 325.840 2.738 50 0 EFAARO CN1Cc2ccccc2C[C@@H]1C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000072134757 472632069 /nfs/dbraw/zinc/63/20/69/472632069.db2.gz FJENJTZFFVLJQT-LJQANCHMSA-N 1 0 338.451 2.946 50 0 EFAARO COc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCCCC3)cc1OC ZINC000103727462 472644470 /nfs/dbraw/zinc/64/44/70/472644470.db2.gz MYMFUEWESBGZKP-UHFFFAOYSA-N 1 0 331.392 2.901 50 0 EFAARO COc1c(C)cnc(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)c1C ZINC000072428335 472663895 /nfs/dbraw/zinc/66/38/95/472663895.db2.gz DLEWWOLYQCWTGB-GOSISDBHSA-N 1 0 347.503 2.784 50 0 EFAARO Cc1ccccc1OC1CC[NH+](CC(C)(C)N2CCOCC2)CC1 ZINC000072420361 472664207 /nfs/dbraw/zinc/66/42/07/472664207.db2.gz NUNYUURELITHRB-UHFFFAOYSA-N 1 0 332.488 2.949 50 0 EFAARO Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CC[C@]3(CN(C)C(=O)O3)C2)c1 ZINC000072422050 472664330 /nfs/dbraw/zinc/66/43/30/472664330.db2.gz KABFASYTYBAMNR-IBGZPJMESA-N 1 0 340.427 2.516 50 0 EFAARO CC(C)Cn1c2ccccc2nc1CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000072436337 472664571 /nfs/dbraw/zinc/66/45/71/472664571.db2.gz WMKGMTRASQWFMR-HXUWFJFHSA-N 1 0 344.503 2.581 50 0 EFAARO CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000072473977 472665260 /nfs/dbraw/zinc/66/52/60/472665260.db2.gz MJQONDPYXVJLGI-IBGZPJMESA-N 1 0 342.483 2.805 50 0 EFAARO COc1ccc(F)c(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c1 ZINC000104338035 472666859 /nfs/dbraw/zinc/66/68/59/472666859.db2.gz OLFJIRFKHFGXQF-MRXNPFEDSA-N 1 0 338.467 2.749 50 0 EFAARO COc1ccc(CN2CC[N@@H+](C3CCC3)C[C@H]2CCO)c(C)c1C ZINC000104367843 472668387 /nfs/dbraw/zinc/66/83/87/472668387.db2.gz XDPHBKOALKJHGT-LJQANCHMSA-N 1 0 332.488 2.733 50 0 EFAARO COc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c(F)c1 ZINC000104405068 472671101 /nfs/dbraw/zinc/67/11/01/472671101.db2.gz LDRWSNYBCHFKRY-MRXNPFEDSA-N 1 0 338.467 2.749 50 0 EFAARO COc1cccc2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(C(C)=O)C4)nc21 ZINC000091304527 472754776 /nfs/dbraw/zinc/75/47/76/472754776.db2.gz FKVQXUCJSBORCA-MAUKXSAKSA-N 1 0 339.439 2.686 50 0 EFAARO CCCn1cc(C(=O)N(C)[C@H](C[NH+](C)C)c2ccccc2)c(C)n1 ZINC000091325277 472757003 /nfs/dbraw/zinc/75/70/03/472757003.db2.gz JWZQPEORFVPTFV-GOSISDBHSA-N 1 0 328.460 2.976 50 0 EFAARO CN(C)c1ccc(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cc1 ZINC000091364964 472759636 /nfs/dbraw/zinc/75/96/36/472759636.db2.gz IGQFYQZCQWJSQB-UYAOXDASSA-N 1 0 341.499 2.628 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C/C=C/c1ccccc1OC)C2 ZINC000091364855 472760183 /nfs/dbraw/zinc/76/01/83/472760183.db2.gz GCBWOYRWUPHMFG-HQYALJTLSA-N 1 0 330.472 2.751 50 0 EFAARO O=C1N(C2CCOCC2)CCC[C@]12CC[N@H+](Cc1ccsc1)C2 ZINC000091412075 472763413 /nfs/dbraw/zinc/76/34/13/472763413.db2.gz YAZZCFSLKTWXTH-GOSISDBHSA-N 1 0 334.485 2.742 50 0 EFAARO Cc1ccc(-c2cc(C(=O)N3C[C@H]([NH3+])[C@@H](c4ccccc4)C3)[nH]n2)o1 ZINC000091416647 472764838 /nfs/dbraw/zinc/76/48/38/472764838.db2.gz AOAUBUGZSXSKDT-CABCVRRESA-N 1 0 336.395 2.545 50 0 EFAARO Cc1cc2ccccc2n1CCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2C)C1 ZINC000091445135 472767075 /nfs/dbraw/zinc/76/70/75/472767075.db2.gz CMNMXBLDYGNHPZ-SJLPKXTDSA-N 1 0 325.456 2.892 50 0 EFAARO O=c1cc(C[NH2+]Cc2ccc(CO)cc2)[nH]c2c(Cl)cccc12 ZINC000091474544 472770452 /nfs/dbraw/zinc/77/04/52/472770452.db2.gz YUUZFHHRPTZUGV-UHFFFAOYSA-N 1 0 328.799 2.964 50 0 EFAARO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]1C1CC1 ZINC000091469010 472770497 /nfs/dbraw/zinc/77/04/97/472770497.db2.gz UBWIPICBHSFPAC-MOPGFXCFSA-N 1 0 342.464 2.711 50 0 EFAARO Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)n1 ZINC000091486916 472773447 /nfs/dbraw/zinc/77/34/47/472773447.db2.gz YSTGQGDLGLIKTJ-VQIMIIECSA-N 1 0 336.439 2.522 50 0 EFAARO O=C1CCC2(CC[NH+](CCn3ccnc3)CC2)CN1C1CCCC1 ZINC000091494644 472773769 /nfs/dbraw/zinc/77/37/69/472773769.db2.gz COELTJNFBOGJSU-UHFFFAOYSA-N 1 0 330.476 2.530 50 0 EFAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cnc(NCc3ccccc3)nc1)C2 ZINC000091518954 472774316 /nfs/dbraw/zinc/77/43/16/472774316.db2.gz VBSMPLWHDAOWSN-PKOBYXMFSA-N 1 0 337.471 2.615 50 0 EFAARO CCc1noc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000091526306 472774554 /nfs/dbraw/zinc/77/45/54/472774554.db2.gz OZSKSKSZHSDTQX-IBGZPJMESA-N 1 0 346.475 2.779 50 0 EFAARO O=C1NCCC[C@]12CC[N@@H+](Cc1cccc(C(F)(F)F)c1F)C2 ZINC000091526806 472775227 /nfs/dbraw/zinc/77/52/27/472775227.db2.gz YHXNHKMNULLZQT-OAHLLOKOSA-N 1 0 330.325 2.947 50 0 EFAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)c1cc(-c2cccn2C)n[nH]1 ZINC000091551323 472776511 /nfs/dbraw/zinc/77/65/11/472776511.db2.gz QGMSBIGXPZEQQX-UHFFFAOYSA-N 1 0 349.438 2.633 50 0 EFAARO Cc1ccc(C(F)(F)F)cc1CN1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091575013 472777103 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Cn1ccnc1C1CC[NH+](CCC(=O)NC2CCCCCC2)CC1 ZINC000091665233 472790654 /nfs/dbraw/zinc/79/06/54/472790654.db2.gz PBZFMNOXANCXBT-UHFFFAOYSA-N 1 0 332.492 2.829 50 0 EFAARO Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CCCCC[N@H+]1C ZINC000091690160 472794409 /nfs/dbraw/zinc/79/44/09/472794409.db2.gz NVSLQXKEALXSDD-GOSISDBHSA-N 1 0 326.444 2.671 50 0 EFAARO CN1CC2(CCC1=O)CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000091693812 472794447 /nfs/dbraw/zinc/79/44/47/472794447.db2.gz BSTPPEYILOSDMP-UHFFFAOYSA-N 1 0 338.455 2.707 50 0 EFAARO O=C1N(CC2CC2)CCC[C@]12CC[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000091690292 472794459 /nfs/dbraw/zinc/79/44/59/472794459.db2.gz OLOQOBVWJCBDGO-HXUWFJFHSA-N 1 0 346.446 2.929 50 0 EFAARO Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)C(C)(C)[NH3+])c1C ZINC000091690111 472795018 /nfs/dbraw/zinc/79/50/18/472795018.db2.gz QNVDVIGAFHFHOK-HNNXBMFYSA-N 1 0 326.444 2.720 50 0 EFAARO O=C(CC[NH2+]Cc1cc(=O)c2cccc(F)c2[nH]1)NC1CCCCC1 ZINC000091724640 472798302 /nfs/dbraw/zinc/79/83/02/472798302.db2.gz JSHJSIHYQFVVLN-UHFFFAOYSA-N 1 0 345.418 2.596 50 0 EFAARO CCOc1ccc(NC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CCOC)C2)cc1 ZINC000091780583 472806652 /nfs/dbraw/zinc/80/66/52/472806652.db2.gz VGHDZECVCSZNDN-NVXWUHKLSA-N 1 0 347.459 2.660 50 0 EFAARO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091830520 472813353 /nfs/dbraw/zinc/81/33/53/472813353.db2.gz STIAOOZQBQASGK-IBGZPJMESA-N 1 0 330.476 2.784 50 0 EFAARO O=C1CCC2(CC[NH+](Cc3cncnc3)CC2)CN1C1CCCC1 ZINC000091848828 472816170 /nfs/dbraw/zinc/81/61/70/472816170.db2.gz VNVQGHORZIVMMR-UHFFFAOYSA-N 1 0 328.460 2.624 50 0 EFAARO CCC[C@]1(CO)CCC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000091876848 472819526 /nfs/dbraw/zinc/81/95/26/472819526.db2.gz VVVCUDHGNOAFQB-IBGZPJMESA-N 1 0 326.444 2.913 50 0 EFAARO CCOCC[NH+]1CCC2(CC(=O)N(CCCc3ccccc3)C2)CC1 ZINC000091876839 472819598 /nfs/dbraw/zinc/81/95/98/472819598.db2.gz IXFBBSDKCHLWFI-UHFFFAOYSA-N 1 0 344.499 2.970 50 0 EFAARO COCc1nc2cc(C)ccc2n1C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063856968 472821442 /nfs/dbraw/zinc/82/14/42/472821442.db2.gz JELMCEKNHAQDSS-UYAOXDASSA-N 1 0 343.471 2.871 50 0 EFAARO Cc1cc(C(=O)Nc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)co1 ZINC000063872203 472822748 /nfs/dbraw/zinc/82/27/48/472822748.db2.gz CBHZHYRHDRIUQA-UHFFFAOYSA-N 1 0 327.384 2.778 50 0 EFAARO CC(=O)NCCCc1nc(-c2ccccc2)nn1-c1cc[nH+]cc1C ZINC000063869781 472822766 /nfs/dbraw/zinc/82/27/66/472822766.db2.gz XMTFMKORHGUPIB-UHFFFAOYSA-N 1 0 335.411 2.706 50 0 EFAARO COc1ccccc1OC1CN(C(=O)CC[C@H](C)[NH+]2CCCC2)C1 ZINC000091943587 472830521 /nfs/dbraw/zinc/83/05/21/472830521.db2.gz SKRLIDPBYHRPQA-HNNXBMFYSA-N 1 0 332.444 2.549 50 0 EFAARO OC[C@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@H]1C[NH+]1CCCCC1 ZINC000091974348 472834633 /nfs/dbraw/zinc/83/46/33/472834633.db2.gz JFVICQAWQHSFFP-ZIAGYGMSSA-N 1 0 343.393 2.631 50 0 EFAARO COc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)cc1O ZINC000091973848 472834957 /nfs/dbraw/zinc/83/49/57/472834957.db2.gz NKORTYMQLMSGRP-NVXWUHKLSA-N 1 0 344.455 2.737 50 0 EFAARO CC[NH+](CC)[C@@H](CNc1nc(C)nc2c1cnn2C)c1ccco1 ZINC000064114294 472835184 /nfs/dbraw/zinc/83/51/84/472835184.db2.gz LHYOLIBQDLKVLF-AWEZNQCLSA-N 1 0 328.420 2.760 50 0 EFAARO COC[C@]1(O)CC[N@H+](Cc2cc3cc(F)ccc3n2C)CC1(C)C ZINC000092003173 472840445 /nfs/dbraw/zinc/84/04/45/472840445.db2.gz NTMKWQVTXCBKOT-LJQANCHMSA-N 1 0 334.435 2.927 50 0 EFAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)cc1C ZINC000092066036 472849420 /nfs/dbraw/zinc/84/94/20/472849420.db2.gz ABHZBVCXJIISDV-UHFFFAOYSA-N 1 0 330.472 2.500 50 0 EFAARO Cn1c(Cn2cccn2)nnc1[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000092065848 472849591 /nfs/dbraw/zinc/84/95/91/472849591.db2.gz SQSKNQNHDZEACW-INIZCTEOSA-N 1 0 342.491 2.962 50 0 EFAARO Cn1c(CN2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc2ccccc21 ZINC000092107524 472864458 /nfs/dbraw/zinc/86/44/58/472864458.db2.gz RYRJIBZTJMMRDS-RTBURBONSA-N 1 0 341.499 2.705 50 0 EFAARO O=C(c1cnccn1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106580864 472868559 /nfs/dbraw/zinc/86/85/59/472868559.db2.gz VQTCXFOWUHAMCB-RTBURBONSA-N 1 0 336.439 2.746 50 0 EFAARO CCCn1ncc(-c2ccnc(NCC[C@@H]3CCC[N@@H+]3C)n2)c1C ZINC000048435975 472877496 /nfs/dbraw/zinc/87/74/96/472877496.db2.gz MVWUGBHBMABODJ-HNNXBMFYSA-N 1 0 328.464 2.955 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2cccc3ncccc23)C[C@H]1CCO ZINC000106694084 472881893 /nfs/dbraw/zinc/88/18/93/472881893.db2.gz UCOBSXWEMFIBQM-GOSISDBHSA-N 1 0 327.472 2.759 50 0 EFAARO C[C@H](COc1ccccc1)[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000065370048 472926873 /nfs/dbraw/zinc/92/68/73/472926873.db2.gz CTTIRRJORFJTFO-OAHLLOKOSA-N 1 0 328.412 2.941 50 0 EFAARO Cc1ccc(C)c(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000065363564 472927385 /nfs/dbraw/zinc/92/73/85/472927385.db2.gz MZCKBOGSUNJAFR-HOTGVXAUSA-N 1 0 338.517 2.950 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)CC1 ZINC000065371733 472928292 /nfs/dbraw/zinc/92/82/92/472928292.db2.gz SVMZDMQFOPRVJP-AWEZNQCLSA-N 1 0 349.500 2.631 50 0 EFAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCc2nccn2Cc2ccccc2)C1 ZINC000065373189 472928486 /nfs/dbraw/zinc/92/84/86/472928486.db2.gz YRWUVMKDVTXNHF-HXUWFJFHSA-N 1 0 340.471 2.670 50 0 EFAARO Cc1cc2c(c(C)c1)[C@H](CC(=O)NCc1ccc(C[NH3+])cc1)C(=O)N2 ZINC000065376125 472930168 /nfs/dbraw/zinc/93/01/68/472930168.db2.gz GNUSCUIOVFZDHJ-INIZCTEOSA-N 1 0 337.423 2.504 50 0 EFAARO Cc1ccccc1N1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000065382040 472930299 /nfs/dbraw/zinc/93/02/99/472930299.db2.gz VPMVEXRKQBTVEY-SFHVURJKSA-N 1 0 329.488 2.908 50 0 EFAARO Cc1[nH]c2ccccc2c(=O)c1CCC(=O)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065387874 472931484 /nfs/dbraw/zinc/93/14/84/472931484.db2.gz TZXCCQKJWDTWFH-CABCVRRESA-N 1 0 339.439 2.534 50 0 EFAARO COc1cccc(OC[C@@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000065397727 472933667 /nfs/dbraw/zinc/93/36/67/472933667.db2.gz RYNXAEUDACMUPL-QGZVFWFLSA-N 1 0 346.471 2.797 50 0 EFAARO Cc1cc(C)c(-n2cccn2)c(C[NH+]2CCC3(CNC(=O)C3)CC2)c1 ZINC000065403908 472935513 /nfs/dbraw/zinc/93/55/13/472935513.db2.gz RAJRFZZCILXSGV-UHFFFAOYSA-N 1 0 338.455 2.591 50 0 EFAARO COc1cccc(C)c1NC(=O)c1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000065406978 472935802 /nfs/dbraw/zinc/93/58/02/472935802.db2.gz IOMNAXNHJDXXIU-KRWDZBQOSA-N 1 0 340.423 2.823 50 0 EFAARO Cc1cc(NCC[N@@H+]2CCC[C@@H](CO)C2)nc(-c2ccccc2)n1 ZINC000065409775 472936405 /nfs/dbraw/zinc/93/64/05/472936405.db2.gz RKGMXFOPHZMKFN-MRXNPFEDSA-N 1 0 326.444 2.568 50 0 EFAARO Cc1[nH+]c(N(C)C)nc(N2CCC(OCc3cccnc3)CC2)c1C ZINC000065409199 472936645 /nfs/dbraw/zinc/93/66/45/472936645.db2.gz ZEFHMIFSHMMSLK-UHFFFAOYSA-N 1 0 341.459 2.740 50 0 EFAARO Cc1cc(-n2nc(C(C)C)nc2Cn2nc3ccccc3n2)cc[nH+]1 ZINC000065410938 472937270 /nfs/dbraw/zinc/93/72/70/472937270.db2.gz LNVBZCAHJNYKDK-UHFFFAOYSA-N 1 0 333.399 2.887 50 0 EFAARO O[C@@H]1C[N@H+](C/C=C/c2ccco2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000065420730 472938770 /nfs/dbraw/zinc/93/87/70/472938770.db2.gz FXXYWLFKAFDJJY-JJVOZYGNSA-N 1 0 327.380 2.872 50 0 EFAARO CC1(C)C[C@H](C[NH+]2CCN(C3Cc4ccccc4C3)CC2)CCO1 ZINC000065423907 472939885 /nfs/dbraw/zinc/93/98/85/472939885.db2.gz ASFOHLABEWKFRU-QGZVFWFLSA-N 1 0 328.500 2.977 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N(C)Cc2ccccc2-n2cccn2)CC1 ZINC000065435477 472941686 /nfs/dbraw/zinc/94/16/86/472941686.db2.gz IMOKOWHDZWOGJB-UHFFFAOYSA-N 1 0 340.471 2.951 50 0 EFAARO CCc1cc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nc(N(C)C)[nH+]1 ZINC000065434161 472941692 /nfs/dbraw/zinc/94/16/92/472941692.db2.gz RGZBMVGEKZBLGI-LBPRGKRZSA-N 1 0 348.472 2.682 50 0 EFAARO O=C(CC[N@@H+]1CCC[C@@H](OCc2cccnc2)C1)Nc1nccs1 ZINC000065430961 472942219 /nfs/dbraw/zinc/94/22/19/472942219.db2.gz XHMRNTIGXPYREL-OAHLLOKOSA-N 1 0 346.456 2.548 50 0 EFAARO Cc1cc(NC[C@]2([NH+](C)C)CCSC2)nc(-c2cccnc2)n1 ZINC000065460454 472946584 /nfs/dbraw/zinc/94/65/84/472946584.db2.gz KTLOVWZJONPTMC-QGZVFWFLSA-N 1 0 329.473 2.696 50 0 EFAARO CC(C)CC(=O)N1CCN(CC2=CCC[N@@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000065492593 472956149 /nfs/dbraw/zinc/95/61/49/472956149.db2.gz KIXFLBMZGNPFMB-HXUWFJFHSA-N 1 0 345.531 2.918 50 0 EFAARO CCCn1cnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)n1 ZINC000065495081 472957107 /nfs/dbraw/zinc/95/71/07/472957107.db2.gz JZIDRWJDKNSIIG-AWEZNQCLSA-N 1 0 327.432 2.925 50 0 EFAARO COc1ccc(OC)c([C@@H]2CC[N@@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000065504288 472958054 /nfs/dbraw/zinc/95/80/54/472958054.db2.gz IPWMBAHNFYUDNV-OAHLLOKOSA-N 1 0 332.444 2.504 50 0 EFAARO C[N@@H+]1CCN(Cc2ccccc2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107651257 472970442 /nfs/dbraw/zinc/97/04/42/472970442.db2.gz UNYWMHUTXNYWHE-OAQYLSRUSA-N 1 0 341.499 2.595 50 0 EFAARO COc1cccc(OCCN2CC[NH+](C3CCSCC3)CC2)c1 ZINC000093761906 473140017 /nfs/dbraw/zinc/14/00/17/473140017.db2.gz JWIMAOOECDGYDN-UHFFFAOYSA-N 1 0 336.501 2.587 50 0 EFAARO CC[NH+](CC)[C@@H](CNC(=O)CCC(=O)NC1CCCC1)c1ccco1 ZINC000123520438 473152581 /nfs/dbraw/zinc/15/25/81/473152581.db2.gz DBGRPLCXAIABCJ-INIZCTEOSA-N 1 0 349.475 2.618 50 0 EFAARO COC(=O)c1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000052909031 473162339 /nfs/dbraw/zinc/16/23/39/473162339.db2.gz CAWRDHULBWMRPM-UHFFFAOYSA-N 1 0 348.443 2.962 50 0 EFAARO O=C(c1ccn(C(F)F)n1)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000095361144 473190440 /nfs/dbraw/zinc/19/04/40/473190440.db2.gz QJUBHEZDQZLLKU-CYBMUJFWSA-N 1 0 326.391 2.616 50 0 EFAARO FC(F)(F)c1ccc(N2CCC([NH2+]Cc3ccon3)CC2)nc1 ZINC000095353476 473190598 /nfs/dbraw/zinc/19/05/98/473190598.db2.gz QHQBAQLIROSXDY-UHFFFAOYSA-N 1 0 326.322 2.847 50 0 EFAARO Cc1cc(C)c2c(ncnc2NCC2([NH+]3CCOCC3)CCCC2)n1 ZINC000095361567 473190627 /nfs/dbraw/zinc/19/06/27/473190627.db2.gz ULFBKJRBLFAHOE-UHFFFAOYSA-N 1 0 341.459 2.699 50 0 EFAARO COc1cccc([C@H]2CN(c3ncccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095362779 473190723 /nfs/dbraw/zinc/19/07/23/473190723.db2.gz OQDGIFYKBAFZHQ-GUDVDZBRSA-N 1 0 336.439 2.552 50 0 EFAARO Fc1cccc(C2(Cn3cc([C@@H]4CCC[NH2+]C4)nn3)CCOCC2)c1 ZINC000095359244 473190759 /nfs/dbraw/zinc/19/07/59/473190759.db2.gz AIVQYEWGYQEMKU-OAHLLOKOSA-N 1 0 344.434 2.633 50 0 EFAARO Cc1noc2nc(C)nc(NCC3([NH+]4CCOCC4)CCCCC3)c12 ZINC000095358166 473191017 /nfs/dbraw/zinc/19/10/17/473191017.db2.gz VDPDRRPQPXQTBV-UHFFFAOYSA-N 1 0 345.447 2.682 50 0 EFAARO Cc1ccc2c(c1)c(CNC(=O)CCC[NH+]1CCCCC1)nn2C ZINC000095363032 473191191 /nfs/dbraw/zinc/19/11/91/473191191.db2.gz VYNLNPIPHKLSGG-UHFFFAOYSA-N 1 0 328.460 2.764 50 0 EFAARO CC(C)=CCC[N@H+]1CCC[C@H](c2nnc(Cn3ccnc3C)n2C)C1 ZINC000095361281 473191373 /nfs/dbraw/zinc/19/13/73/473191373.db2.gz HXWASYKWLXCGOC-KRWDZBQOSA-N 1 0 342.491 2.904 50 0 EFAARO O[C@@H]1CC[N@@H+](C2CCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC000095361834 473191395 /nfs/dbraw/zinc/19/13/95/473191395.db2.gz IMPLYIDXRZTPDD-CYBMUJFWSA-N 1 0 337.876 2.985 50 0 EFAARO Cc1cnc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cn1 ZINC000095363711 473191807 /nfs/dbraw/zinc/19/18/07/473191807.db2.gz BCGHPKNFNPULOG-ZWKOTPCHSA-N 1 0 336.439 2.522 50 0 EFAARO CSCc1nc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cs1 ZINC000095364573 473192294 /nfs/dbraw/zinc/19/22/94/473192294.db2.gz FYFSHXWUIQWKQD-CYBMUJFWSA-N 1 0 327.519 2.887 50 0 EFAARO Cc1cc(C)c2c(ncnc2NCCCOC2CC[NH+](C)CC2)n1 ZINC000095363654 473192303 /nfs/dbraw/zinc/19/23/03/473192303.db2.gz UHWRQZMZYDCISR-UHFFFAOYSA-N 1 0 329.448 2.554 50 0 EFAARO CCOc1ncccc1CNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095366522 473192386 /nfs/dbraw/zinc/19/23/86/473192386.db2.gz FMWBPZDVRIARJB-QGZVFWFLSA-N 1 0 339.439 2.877 50 0 EFAARO CC(C)n1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000095372003 473192424 /nfs/dbraw/zinc/19/24/24/473192424.db2.gz MEYXIZDUQFYKDY-QGZVFWFLSA-N 1 0 326.444 2.943 50 0 EFAARO O=C1[C@H]2CC[C@H](C[N@@H+](CCCOc3ccc(F)cc3)C2)N1CC1CC1 ZINC000095370106 473192490 /nfs/dbraw/zinc/19/24/90/473192490.db2.gz VKXXUZOCBWTUCF-FUHWJXTLSA-N 1 0 346.446 2.927 50 0 EFAARO COCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000095371674 473192520 /nfs/dbraw/zinc/19/25/20/473192520.db2.gz VMWCKDUCWSQUOF-SFHVURJKSA-N 1 0 330.472 2.751 50 0 EFAARO c1nc(-c2cn(CC[C@H]3CCCC[NH2+]3)nn2)n(C2CCCCC2)n1 ZINC000095366074 473192704 /nfs/dbraw/zinc/19/27/04/473192704.db2.gz QKQKAQRZDJZMPJ-CQSZACIVSA-N 1 0 329.452 2.574 50 0 EFAARO COc1ccc(-c2cn(C[C@@H](c3ccc(C)o3)[NH+](C)C)nn2)cn1 ZINC000095366083 473192770 /nfs/dbraw/zinc/19/27/70/473192770.db2.gz SWLHCFKFXCENLK-HNNXBMFYSA-N 1 0 327.388 2.553 50 0 EFAARO CCCCOCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095381036 473193030 /nfs/dbraw/zinc/19/30/30/473193030.db2.gz LOQHMIBZIPCXIN-RBUKOAKNSA-N 1 0 330.472 2.926 50 0 EFAARO COc1ccc([C@@H]2CN(c3cnccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095376414 473193150 /nfs/dbraw/zinc/19/31/50/473193150.db2.gz VNOUSJGQGNVSHS-DFQSSKMNSA-N 1 0 336.439 2.552 50 0 EFAARO CC(C)[NH+]1CCC(CC(=O)N2CCC(Cn3ccnc3)CC2)CC1 ZINC000095375309 473193190 /nfs/dbraw/zinc/19/31/90/473193190.db2.gz VUKSHBZAVLEOKE-UHFFFAOYSA-N 1 0 332.492 2.632 50 0 EFAARO Cc1ccc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)s1 ZINC000095383039 473193201 /nfs/dbraw/zinc/19/32/01/473193201.db2.gz VWGZOHOULGDTLK-HNNXBMFYSA-N 1 0 346.500 2.834 50 0 EFAARO O=C(NCCNc1cccnc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095379441 473193418 /nfs/dbraw/zinc/19/34/18/473193418.db2.gz SRSVPAARHBULIS-UHFFFAOYSA-N 1 0 338.455 2.909 50 0 EFAARO CCN(Cc1noc(C)n1)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095375868 473193427 /nfs/dbraw/zinc/19/34/27/473193427.db2.gz QXELTSAOHHKPNP-UHFFFAOYSA-N 1 0 334.464 2.771 50 0 EFAARO COc1cc(OC)c2nc(N3C[C@H]([NH3+])[C@@H](C4CC4)C3)cc(C)c2c1 ZINC000095380760 473193532 /nfs/dbraw/zinc/19/35/32/473193532.db2.gz HKMQESMYLWKGEZ-CVEARBPZSA-N 1 0 327.428 2.734 50 0 EFAARO Cc1cc(C(F)(F)F)nc(CNC(=O)CC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000095378904 473193677 /nfs/dbraw/zinc/19/36/77/473193677.db2.gz ZMAMDDMYKUPAKI-GFCCVEGCSA-N 1 0 344.381 2.542 50 0 EFAARO Cc1oncc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095388310 473194022 /nfs/dbraw/zinc/19/40/22/473194022.db2.gz UXJWIQQAXYBXTC-IAGOWNOFSA-N 1 0 325.412 2.720 50 0 EFAARO CN(C)[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000095385361 473194036 /nfs/dbraw/zinc/19/40/36/473194036.db2.gz GHFOUWFZPLJAEN-GOSISDBHSA-N 1 0 333.451 2.515 50 0 EFAARO O=C(Cc1ccsc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095390387 473194131 /nfs/dbraw/zinc/19/41/31/473194131.db2.gz MGFLUYCEKPUBJJ-FUHWJXTLSA-N 1 0 341.480 2.809 50 0 EFAARO C[C@@H]([NH2+]C1CCN(c2nc3ccccc3o2)CC1)c1nnc(N)s1 ZINC000095388195 473194221 /nfs/dbraw/zinc/19/42/21/473194221.db2.gz DFOSLYATMNEVDS-SNVBAGLBSA-N 1 0 344.444 2.581 50 0 EFAARO OCc1csc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000095390447 473194380 /nfs/dbraw/zinc/19/43/80/473194380.db2.gz UABXZTNYFPRJJT-UHFFFAOYSA-N 1 0 333.501 2.726 50 0 EFAARO Cc1nc(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)sc1C ZINC000095383635 473194413 /nfs/dbraw/zinc/19/44/13/473194413.db2.gz KYFBTEUDTYVLKK-HNNXBMFYSA-N 1 0 347.484 2.924 50 0 EFAARO CCCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095390680 473194495 /nfs/dbraw/zinc/19/44/95/473194495.db2.gz MAHVYZXMJXHWEP-CWFSZBLJSA-N 1 0 342.439 2.604 50 0 EFAARO CCC[NH+]1CCC(CC(=O)NCc2noc(-c3cccs3)n2)CC1 ZINC000095389486 473194730 /nfs/dbraw/zinc/19/47/30/473194730.db2.gz VLMDYQONEBBYPU-UHFFFAOYSA-N 1 0 348.472 2.926 50 0 EFAARO O=C(c1cccnc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095385230 473194899 /nfs/dbraw/zinc/19/48/99/473194899.db2.gz QQNGTSZFJULJFN-QFBILLFUSA-N 1 0 339.414 2.957 50 0 EFAARO CSCCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095386895 473194927 /nfs/dbraw/zinc/19/49/27/473194927.db2.gz HKLVQWSYCWJORM-QXAKKESOSA-N 1 0 346.496 2.534 50 0 EFAARO CN(CCCc1cnn(C)c1)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095389432 473194954 /nfs/dbraw/zinc/19/49/54/473194954.db2.gz SOSXORPWHPJYKD-UHFFFAOYSA-N 1 0 346.519 2.856 50 0 EFAARO Cc1nc(-c2ccc(NC(=O)[C@H](C)[NH+]3CCCCCC3)cc2)n[nH]1 ZINC000114178141 473444242 /nfs/dbraw/zinc/44/42/42/473444242.db2.gz YGXAKARMEAQJCS-ZDUSSCGKSA-N 1 0 327.432 2.983 50 0 EFAARO Cc1cc(Cl)ccc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000164279644 473484478 /nfs/dbraw/zinc/48/44/78/473484478.db2.gz JKWFHFVNOIVDES-UHFFFAOYSA-N 1 0 346.862 2.730 50 0 EFAARO C[C@H](C(=O)N(C)Cc1nc2ccccc2n1C)[NH+]1CCCCCC1 ZINC000173337891 473810470 /nfs/dbraw/zinc/81/04/70/473810470.db2.gz VFJSIOKDZJLMMI-OAHLLOKOSA-N 1 0 328.460 2.796 50 0 EFAARO O=C(NCc1cc2ccccc2[nH]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264501199 474015529 /nfs/dbraw/zinc/01/55/29/474015529.db2.gz RKKLIXURJYCPNX-KRWDZBQOSA-N 1 0 326.444 2.938 50 0 EFAARO COc1cc2c(cc1OC)CN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC000174538804 474057805 /nfs/dbraw/zinc/05/78/05/474057805.db2.gz DGVUMJPMIGZZOH-UHFFFAOYSA-N 1 0 346.471 2.709 50 0 EFAARO Cc1cccc(OCC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000195520681 474087598 /nfs/dbraw/zinc/08/75/98/474087598.db2.gz GDNXRXXAOWNAEG-MRXNPFEDSA-N 1 0 326.444 2.791 50 0 EFAARO Fc1cccc(OCC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000195520647 474087964 /nfs/dbraw/zinc/08/79/64/474087964.db2.gz UQLNVIYTCYOZRV-AWEZNQCLSA-N 1 0 330.407 2.622 50 0 EFAARO Nc1[nH+]cc(I)c2[nH]cc(Br)c21 ZINC000206025682 474124131 /nfs/dbraw/zinc/12/41/31/474124131.db2.gz UMCFGMNIVLVVPM-UHFFFAOYSA-N 1 0 337.946 2.512 50 0 EFAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccncc2)C1 ZINC000215940963 474139758 /nfs/dbraw/zinc/13/97/58/474139758.db2.gz AZGCDVZCZRGPJE-IBGZPJMESA-N 1 0 337.467 2.961 50 0 EFAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)CCc2ccncc2)C1 ZINC000215940912 474140076 /nfs/dbraw/zinc/14/00/76/474140076.db2.gz AZGCDVZCZRGPJE-LJQANCHMSA-N 1 0 337.467 2.961 50 0 EFAARO CCN(Cc1cnn(C)c1)C(=O)c1cc(C[NH+](CC)CC)oc1C ZINC000219929538 474151315 /nfs/dbraw/zinc/15/13/15/474151315.db2.gz JRRHDVHMZLBTQJ-UHFFFAOYSA-N 1 0 332.448 2.826 50 0 EFAARO O=C(COc1cccnc1)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000221367094 474161696 /nfs/dbraw/zinc/16/16/96/474161696.db2.gz NCYMFCGBDNWWIK-LJQANCHMSA-N 1 0 339.439 2.804 50 0 EFAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000222255383 474166780 /nfs/dbraw/zinc/16/67/80/474166780.db2.gz MLEHJNIQMMRXTA-KBPBESRZSA-N 1 0 331.243 2.831 50 0 EFAARO CC(C)c1nccn1[C@H](C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000222453868 474169606 /nfs/dbraw/zinc/16/96/06/474169606.db2.gz NZVONUICDCNABS-OAHLLOKOSA-N 1 0 328.460 2.946 50 0 EFAARO O=C(NCC1([NH+]2CCCC2)CCCC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000222845190 474176588 /nfs/dbraw/zinc/17/65/88/474176588.db2.gz FLPVDTDJWYRMFC-INIZCTEOSA-N 1 0 336.863 2.898 50 0 EFAARO CN(Cc1ccccc1-n1cccn1)C(=O)C[N@H+](C)C1CCCC1 ZINC000223139294 474180945 /nfs/dbraw/zinc/18/09/45/474180945.db2.gz MAPKDRVLCVYBMV-UHFFFAOYSA-N 1 0 326.444 2.705 50 0 EFAARO Cc1nnc(SCCNC(=O)CC[NH+]2CCCCCCC2)s1 ZINC000223251689 474182456 /nfs/dbraw/zinc/18/24/56/474182456.db2.gz NJIJLPFAXNPJRZ-UHFFFAOYSA-N 1 0 342.534 2.711 50 0 EFAARO O=C(/C=C/c1ccccc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225561869 474225681 /nfs/dbraw/zinc/22/56/81/474225681.db2.gz XRFIKNIECJUCEG-VOTSOKGWSA-N 1 0 328.456 2.707 50 0 EFAARO O=C(NC[C@@H](c1ccsc1)N1CCC1)c1ccc2nsnc2c1 ZINC000225593668 474227107 /nfs/dbraw/zinc/22/71/07/474227107.db2.gz KJIJMJHKGXWJDK-HNNXBMFYSA-N 1 0 344.465 2.930 50 0 EFAARO COc1cccc(C(=O)N2CC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000225684532 474236213 /nfs/dbraw/zinc/23/62/13/474236213.db2.gz QFUJDMHLRACTQU-LJQANCHMSA-N 1 0 336.435 2.968 50 0 EFAARO C[C@@H](Cc1cnccn1)[N@H+](C)CCC(=O)Nc1ccc(F)cc1F ZINC000244724462 474564477 /nfs/dbraw/zinc/56/44/77/474564477.db2.gz MUNXAWZOKIZKCZ-LBPRGKRZSA-N 1 0 334.370 2.646 50 0 EFAARO COc1cccc(OCC[N@@H+]2CCC[C@H]2C(=O)N2CCCCC2)c1 ZINC000244795119 474566665 /nfs/dbraw/zinc/56/66/65/474566665.db2.gz QZVKCIFARJEXQY-SFHVURJKSA-N 1 0 332.444 2.551 50 0 EFAARO Cc1cccc(N2CC[C@H](CNC(=O)C[N@@H+](C)C3CCCC3)C2)c1 ZINC000244794901 474566718 /nfs/dbraw/zinc/56/67/18/474566718.db2.gz QVXSALRXXNMYPN-QGZVFWFLSA-N 1 0 329.488 2.812 50 0 EFAARO C[NH+]1CCC(OCCCNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000244898887 474569001 /nfs/dbraw/zinc/56/90/01/474569001.db2.gz ZDIRKMIGWKIQFC-UHFFFAOYSA-N 1 0 344.377 2.936 50 0 EFAARO C[NH+](C)CCOc1ccc(NC(=O)c2n[nH]c3c2CCCCC3)cc1 ZINC000190378694 474591850 /nfs/dbraw/zinc/59/18/50/474591850.db2.gz YLJQPKQOPGZDGA-UHFFFAOYSA-N 1 0 342.443 2.871 50 0 EFAARO Cc1ccc(C)c(NC(=O)CC[N@@H+](C)Cc2[nH]nc3c2CCC3)c1 ZINC000252482280 474666948 /nfs/dbraw/zinc/66/69/48/474666948.db2.gz DCFUZURRFMHOIC-UHFFFAOYSA-N 1 0 326.444 2.976 50 0 EFAARO COc1ccccc1CNC(=O)CC[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000252491605 474677153 /nfs/dbraw/zinc/67/71/53/474677153.db2.gz LOLGQDQNUQQFLL-LVYXFOGZSA-N 1 0 328.456 2.679 50 0 EFAARO O=C(CC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)Nc1cccnc1 ZINC000252510246 474688051 /nfs/dbraw/zinc/68/80/51/474688051.db2.gz ZFJUMMAQLUNUML-UHFFFAOYSA-N 1 0 343.402 2.533 50 0 EFAARO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]n1 ZINC000299754479 476151148 /nfs/dbraw/zinc/15/11/48/476151148.db2.gz VPXZLXSEMWRTJR-YJBOKZPZSA-N 1 0 332.492 2.945 50 0 biogenic EFAARO CCC1=NO[C@@H](CNC(=O)Nc2ccc(-n3ccnc3C)cc2)C1 ZINC000299794684 476153292 /nfs/dbraw/zinc/15/32/92/476153292.db2.gz LRGIDAQLYRQRGF-MRXNPFEDSA-N 1 0 327.388 2.857 50 0 EFAARO O=C(c1ccco1)N1CCC[N@H+](CCCOc2ccccc2)CC1 ZINC000363185211 476598226 /nfs/dbraw/zinc/59/82/26/476598226.db2.gz RVWMTHSYLXSDPN-UHFFFAOYSA-N 1 0 328.412 2.897 50 0 EFAARO CCN(CC[NH+]1CCCCCC1)C(=O)NCc1cnc2ccccn12 ZINC000426442924 477709937 /nfs/dbraw/zinc/70/99/37/477709937.db2.gz LZAWBUMURGQFTG-UHFFFAOYSA-N 1 0 343.475 2.742 50 0 EFAARO O=C(NCc1cccc(F)c1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000426443529 477710979 /nfs/dbraw/zinc/71/09/79/477710979.db2.gz ZGBFKTMENCUXRK-SFHVURJKSA-N 1 0 349.450 2.612 50 0 EFAARO CN(CC[C@H]1CCCCO1)C(=O)c1cc(Cl)ccc1OCC[NH3+] ZINC000426518322 477711836 /nfs/dbraw/zinc/71/18/36/477711836.db2.gz MEPGMVWYPRFDFS-CQSZACIVSA-N 1 0 340.851 2.709 50 0 EFAARO COc1cncc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000426518739 477712348 /nfs/dbraw/zinc/71/23/48/477712348.db2.gz JAOSXTVOSJNNCL-UHFFFAOYSA-N 1 0 325.412 2.583 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1cccc2cnccc21 ZINC000426527671 477716036 /nfs/dbraw/zinc/71/60/36/477716036.db2.gz FIFHSFGRDLWDNF-KRWDZBQOSA-N 1 0 326.444 2.861 50 0 EFAARO CCc1ccccc1-c1ccc(C(=O)N(CCO)CC[NH+](C)C)cc1 ZINC000426536562 477717045 /nfs/dbraw/zinc/71/70/45/477717045.db2.gz UUHRJMCGCNFABQ-UHFFFAOYSA-N 1 0 340.467 2.912 50 0 EFAARO Cc1ccc(OC[C@H](C)NC(=O)c2cc(F)ccc2OCC[NH3+])cc1 ZINC000426545111 477719326 /nfs/dbraw/zinc/71/93/26/477719326.db2.gz SEGDPNDKYAHTEL-AWEZNQCLSA-N 1 0 346.402 2.669 50 0 EFAARO CCc1oc(C(=O)NCCCc2ncc[nH]2)cc1C[NH+]1CCCC1 ZINC000426550714 477720789 /nfs/dbraw/zinc/72/07/89/477720789.db2.gz ZLMAPKIJYYORMS-UHFFFAOYSA-N 1 0 330.432 2.524 50 0 EFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2ccc3nsnc3c2)C1 ZINC000426613577 477726449 /nfs/dbraw/zinc/72/64/49/477726449.db2.gz GYPFTCWKYOXZPV-CQSZACIVSA-N 1 0 347.488 2.563 50 0 EFAARO O=C(NC[C@@H]1CCC[NH2+]1)c1cccc(-c2cc(F)c(F)cc2O)c1 ZINC000426635477 477729464 /nfs/dbraw/zinc/72/94/64/477729464.db2.gz NQECRDXFZBBMPP-ZDUSSCGKSA-N 1 0 332.350 2.819 50 0 EFAARO CN1CC[C@@H]([N@H+](C)CCC(=O)NCc2ccc3sccc3c2)C1 ZINC000426647895 477733031 /nfs/dbraw/zinc/73/30/31/477733031.db2.gz HSHVWTRTKCCKQB-MRXNPFEDSA-N 1 0 331.485 2.544 50 0 EFAARO OCCn1ccc([C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)n1 ZINC000426662057 477734168 /nfs/dbraw/zinc/73/41/68/477734168.db2.gz FSAGWNQWMNLKIS-KRWDZBQOSA-N 1 0 336.439 2.803 50 0 EFAARO Cc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(F)c1F ZINC000426684408 477737051 /nfs/dbraw/zinc/73/70/51/477737051.db2.gz KOEUVNDOUSFEJO-UHFFFAOYSA-N 1 0 338.398 2.646 50 0 EFAARO CNC(=O)Cn1cc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)cn1 ZINC000426685374 477737781 /nfs/dbraw/zinc/73/77/81/477737781.db2.gz OBJCXPXDONEYHW-OAHLLOKOSA-N 1 0 326.444 2.843 50 0 EFAARO CC(C)Oc1ccc(CCNC(=O)NCC[C@H]2CCCC[NH2+]2)cc1 ZINC000426701409 477740557 /nfs/dbraw/zinc/74/05/57/477740557.db2.gz KUWVFZHCZMMQHA-QGZVFWFLSA-N 1 0 333.476 2.848 50 0 EFAARO CCCC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)C1([NH3+])CC1 ZINC000426727311 477743153 /nfs/dbraw/zinc/74/31/53/477743153.db2.gz BZRPLCWHXLLKJW-OAHLLOKOSA-N 1 0 349.862 2.565 50 0 EFAARO COc1ccc(-c2ccc(C(=O)NCC[C@@H]3CCC[N@@H+]3C)cc2)cn1 ZINC000426739848 477743515 /nfs/dbraw/zinc/74/35/15/477743515.db2.gz SVAAACGGLJWQTD-SFHVURJKSA-N 1 0 339.439 2.971 50 0 EFAARO C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)NCCC[NH+](C)C ZINC000426726768 477743707 /nfs/dbraw/zinc/74/37/07/477743707.db2.gz LUXUFTJGLNGSEG-AWEZNQCLSA-N 1 0 329.448 2.731 50 0 EFAARO CCCSCCNC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000534590785 478160958 /nfs/dbraw/zinc/16/09/58/478160958.db2.gz ZCDLQUJAEXKEBD-UHFFFAOYSA-N 1 0 336.505 2.755 50 0 EFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(c2ccncc2)CC1 ZINC000534590123 478161154 /nfs/dbraw/zinc/16/11/54/478161154.db2.gz XXFPEPHTJBLJBG-INIZCTEOSA-N 1 0 330.476 2.845 50 0 EFAARO CCCOc1ccc(C(=O)N[C@H]2C[N@H+](CC)C[C@@H]2OC)cc1Cl ZINC000534639412 478164253 /nfs/dbraw/zinc/16/42/53/478164253.db2.gz HWZWIEIVEQSHIL-HOCLYGCPSA-N 1 0 340.851 2.578 50 0 EFAARO CC[C@H](NC(=O)N(C)Cc1ccccc1C[NH+](C)C)c1ccnn1C ZINC000534639145 478164437 /nfs/dbraw/zinc/16/44/37/478164437.db2.gz IUKMUNJHTAZHBH-KRWDZBQOSA-N 1 0 343.475 2.774 50 0 EFAARO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C2CSCCSC2)C1 ZINC000534645433 478165375 /nfs/dbraw/zinc/16/53/75/478165375.db2.gz SKVVDJMXSCLJJP-OAHLLOKOSA-N 1 0 336.526 2.729 50 0 EFAARO CCc1ccc(CN(CCOC)C(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000534647945 478165778 /nfs/dbraw/zinc/16/57/78/478165778.db2.gz LVWUVXMTTYWJEO-GOSISDBHSA-N 1 0 330.472 2.614 50 0 EFAARO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCOc2ccccc2OC)C1 ZINC000534655886 478167035 /nfs/dbraw/zinc/16/70/35/478167035.db2.gz WDECPZSOUZGKNM-MRXNPFEDSA-N 1 0 349.475 2.590 50 0 EFAARO CN(CC[NH+](C)C)C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1 ZINC000534659611 478167539 /nfs/dbraw/zinc/16/75/39/478167539.db2.gz UXRPKTRJGBUDSP-UHFFFAOYSA-N 1 0 332.835 2.618 50 0 EFAARO Cc1cccc([C@@H](CNC(=O)N(C)CCC2(O)CCCC2)[NH+](C)C)c1 ZINC000534660601 478167658 /nfs/dbraw/zinc/16/76/58/478167658.db2.gz SZXAXMSDAJUJOM-GOSISDBHSA-N 1 0 347.503 2.934 50 0 EFAARO CCOC(=O)N1CCC([NH2+]CCOc2cccc3cccnc32)CC1 ZINC000534669261 478168437 /nfs/dbraw/zinc/16/84/37/478168437.db2.gz XJECCPWATCBHAD-UHFFFAOYSA-N 1 0 343.427 2.824 50 0 EFAARO Cc1nc2sccc2c(-c2cccc(C(=O)N3CC[C@@H]([NH3+])C3)c2)n1 ZINC000584885653 479270813 /nfs/dbraw/zinc/27/08/13/479270813.db2.gz JFBPLKRQSVFKJV-CQSZACIVSA-N 1 0 338.436 2.840 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2cccc(O)c2)C2CC2)C1 ZINC000584892319 479273024 /nfs/dbraw/zinc/27/30/24/479273024.db2.gz JEFBWXMTYRTWIM-HNNXBMFYSA-N 1 0 331.460 2.798 50 0 EFAARO Cc1nonc1C[NH2+][C@H](C)CCc1c(C)[nH]c2ccccc2c1=O ZINC000584901258 479276770 /nfs/dbraw/zinc/27/67/70/479276770.db2.gz VQNFEFCMSHVILY-LLVKDONJSA-N 1 0 326.400 2.639 50 0 EFAARO CC1(C(=O)N2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)COC1 ZINC000584902970 479277034 /nfs/dbraw/zinc/27/70/34/479277034.db2.gz MTEOAURXEUWZFY-NRFANRHFSA-N 1 0 342.483 2.928 50 0 EFAARO CCOc1ccc(CCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000584901119 479277284 /nfs/dbraw/zinc/27/72/84/479277284.db2.gz OTLUBNNUHPUAGD-KRWDZBQOSA-N 1 0 331.460 2.508 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(OC)ccn2)cc1 ZINC000584900568 479277298 /nfs/dbraw/zinc/27/72/98/479277298.db2.gz UGLDDGBKQOYHGN-QGZVFWFLSA-N 1 0 339.439 2.971 50 0 EFAARO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000585136812 479296571 /nfs/dbraw/zinc/29/65/71/479296571.db2.gz UAYOWUFGWGWCSZ-UGUYLWEFSA-N 1 0 336.476 2.791 50 0 EFAARO O=C(NCc1cccs1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575616366 479456684 /nfs/dbraw/zinc/45/66/84/479456684.db2.gz JAEHXOYCTZAYML-UHFFFAOYSA-N 1 0 339.530 2.861 50 0 EFAARO O=c1[nH]c2ccc(C[NH2+][C@H]3CCN(c4ccc(F)cc4)C3)cc2[nH]1 ZINC000641762325 481057728 /nfs/dbraw/zinc/05/77/28/481057728.db2.gz KYIXOJOIJFBBKG-AWEZNQCLSA-N 1 0 326.375 2.776 50 0 EFAARO Cc1cnn(CCC[NH+]2CCC3(CC(=O)N(CC(C)C)C3)CC2)c1 ZINC000091462588 518191929 /nfs/dbraw/zinc/19/19/29/518191929.db2.gz DNBJPJCJNLZQMK-UHFFFAOYSA-N 1 0 332.492 2.552 50 0 EFAARO CC[C@@H](CO)[NH2+]Cc1ccc(OC[C@H](O)c2ccccc2)c(OC)c1 ZINC000004840496 522573955 /nfs/dbraw/zinc/57/39/55/522573955.db2.gz DTLJXMDJHIJUFG-ROUUACIJSA-N 1 0 345.439 2.668 50 0 EFAARO CCc1c2ccccc2[nH]c1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000244724096 523729904 /nfs/dbraw/zinc/72/99/04/523729904.db2.gz MNNRYGKYKTXYQH-UHFFFAOYSA-N 1 0 329.444 2.571 50 0 EFAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)CCCn2cccn2)C1 ZINC000299764387 525146988 /nfs/dbraw/zinc/14/69/88/525146988.db2.gz VFCRNVDOUCYJHK-GOSISDBHSA-N 1 0 340.471 2.610 50 0 EFAARO COc1cccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000188980181 525829526 /nfs/dbraw/zinc/82/95/26/525829526.db2.gz NEOXFZOORXOYEW-YJBOKZPZSA-N 1 0 346.377 2.849 50 0 EFAARO Cc1n[nH]c(C)c1CCN(C)c1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244795187 526494029 /nfs/dbraw/zinc/49/40/29/526494029.db2.gz RBEQHFFNBFYTII-SHTZXODSSA-N 1 0 340.475 2.578 50 0 EFAARO CCC[NH+]1CCC(CCNC(=O)N(C)[C@H](C)c2nc(C)no2)CC1 ZINC000426474390 535350754 /nfs/dbraw/zinc/35/07/54/535350754.db2.gz RKTXLLCUYZELBE-CYBMUJFWSA-N 1 0 337.468 2.593 50 0 EFAARO CC[NH+]1CCC(N(CCc2ccccn2)C(=O)[C@H]2CCCCO2)CC1 ZINC000214982779 535461362 /nfs/dbraw/zinc/46/13/62/535461362.db2.gz HPKDOMASSJWFNA-LJQANCHMSA-N 1 0 345.487 2.506 50 0 EFAARO CCc1ccc2occ(CC(=O)NCC[N@@H+]3CCCC[C@H]3CO)c2c1 ZINC000216080408 535839698 /nfs/dbraw/zinc/83/96/98/535839698.db2.gz STLHAJXHDGSQLG-KRWDZBQOSA-N 1 0 344.455 2.501 50 0 EFAARO CN(C(=O)c1ccc(-n2cnnc2)cc1)[C@H](C[NH+](C)C)c1ccccc1 ZINC000215664586 535956507 /nfs/dbraw/zinc/95/65/07/535956507.db2.gz PQNYPGYGRCPRRH-LJQANCHMSA-N 1 0 349.438 2.642 50 0 EFAARO CCn1cc(-c2cc(C(F)F)nc(N3CCC([NH3+])CC3)n2)c(C)n1 ZINC000012396750 536011784 /nfs/dbraw/zinc/01/17/84/536011784.db2.gz ZPTALICHUZFUTD-UHFFFAOYSA-N 1 0 336.390 2.534 50 0 EFAARO CN(C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000426383998 536033352 /nfs/dbraw/zinc/03/33/52/536033352.db2.gz VRXLDIAVORUCFA-SFHVURJKSA-N 1 0 345.487 2.719 50 0 EFAARO Cc1ccc(-n2cccn2)c(CN(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000216239262 545559490 /nfs/dbraw/zinc/55/94/90/545559490.db2.gz QVQZJICKIBSQQO-LJQANCHMSA-N 1 0 342.487 2.723 50 0 EFAARO Cc1nccn1CC[C@@H](C)[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000670439422 547489506 /nfs/dbraw/zinc/48/95/06/547489506.db2.gz QHNGRTYKDLSEKC-CQSZACIVSA-N 1 0 333.867 2.841 50 0 EFAARO O=S(=O)(CC1CCCC1)NCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000670436359 547489563 /nfs/dbraw/zinc/48/95/63/547489563.db2.gz MJBBZMALMMNCFR-GOSISDBHSA-N 1 0 336.501 2.586 50 0 EFAARO Cc1nnc(CN2C[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)s1 ZINC000670446012 547490069 /nfs/dbraw/zinc/49/00/69/547490069.db2.gz JGMYNKUKMOPPSK-SJORKVTESA-N 1 0 328.485 2.943 50 0 EFAARO COC[C@@H](C)NC(=O)C1CC[NH+](C/C=C/c2ccccc2OC)CC1 ZINC000670444664 547490266 /nfs/dbraw/zinc/49/02/66/547490266.db2.gz NIMRCZGKUQTOGU-IQIBNGDESA-N 1 0 346.471 2.572 50 0 EFAARO CC1(C[NH+]2CCN(c3ncnc4ccccc43)CC2)CCOCC1 ZINC000670448720 547491242 /nfs/dbraw/zinc/49/12/42/547491242.db2.gz WLZLDWPWBKZRJV-UHFFFAOYSA-N 1 0 326.444 2.569 50 0 EFAARO COc1cc(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)ccn1 ZINC000670448737 547491865 /nfs/dbraw/zinc/49/18/65/547491865.db2.gz SBZVCPOIRQWDET-SFHVURJKSA-N 1 0 339.439 2.700 50 0 EFAARO CCn1ccc2cc(CN3CC[N@H+](CC4CC4)[C@@H](CCO)C3)ccc21 ZINC000670453078 547492602 /nfs/dbraw/zinc/49/26/02/547492602.db2.gz KYOIVGZMGPVNIF-FQEVSTJZSA-N 1 0 341.499 2.940 50 0 EFAARO O=c1cc([C@@H]2CCC[N@H+](Cc3cc(-c4ccccn4)no3)C2)nc[nH]1 ZINC000670457229 547493374 /nfs/dbraw/zinc/49/33/74/547493374.db2.gz YFYVZQUQAMRIPW-CYBMUJFWSA-N 1 0 337.383 2.612 50 0 EFAARO O=C(C[NH+]1CCCCCC1)N[C@H](Cn1cccn1)c1ccccc1 ZINC000670460132 547493816 /nfs/dbraw/zinc/49/38/16/547493816.db2.gz KGUNIMKMMIZZCY-GOSISDBHSA-N 1 0 326.444 2.617 50 0 EFAARO O=C(N[C@H](CO)c1ccc(F)cc1)C1([NH+]2CCCC2)CCCCC1 ZINC000670470008 547494902 /nfs/dbraw/zinc/49/49/02/547494902.db2.gz FJZXHOATKRXUHD-QGZVFWFLSA-N 1 0 334.435 2.774 50 0 EFAARO Cc1ccnc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000670469821 547495307 /nfs/dbraw/zinc/49/53/07/547495307.db2.gz KEFTYEOSNFDEGS-OAHLLOKOSA-N 1 0 329.469 2.775 50 0 EFAARO Cc1ccnc(CC(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000670469820 547495364 /nfs/dbraw/zinc/49/53/64/547495364.db2.gz KEFTYEOSNFDEGS-HNNXBMFYSA-N 1 0 329.469 2.775 50 0 EFAARO O=c1cc([C@H]2CCC[N@@H+](CCCOc3ccc(F)cc3)C2)nc[nH]1 ZINC000670470626 547495578 /nfs/dbraw/zinc/49/55/78/547495578.db2.gz NRCQVLIAWZMFQI-AWEZNQCLSA-N 1 0 331.391 2.970 50 0 EFAARO c1ccc(N2CC[C@@H]([NH2+]CC3(N4CCOCC4)CCCCC3)C2)cc1 ZINC000674877479 548169642 /nfs/dbraw/zinc/16/96/42/548169642.db2.gz UMICRFCDEURHRI-LJQANCHMSA-N 1 0 343.515 2.890 50 0 EFAARO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c(Cl)cc1F ZINC000682256955 549719156 /nfs/dbraw/zinc/71/91/56/549719156.db2.gz STWUYIGWGGTEJB-CHWSQXEVSA-N 1 0 334.844 2.549 50 0 EFAARO C[C@H]1Cc2ccccc2CN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685941350 550197453 /nfs/dbraw/zinc/19/74/53/550197453.db2.gz AOWNOWOISHUSER-AWEZNQCLSA-N 1 0 338.455 2.806 50 0 EFAARO COC1(OC)CCOC[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000685943041 550197674 /nfs/dbraw/zinc/19/76/74/550197674.db2.gz CLDGPEIQSWEFGA-AWEZNQCLSA-N 1 0 334.243 2.904 50 0 EFAARO C[NH+](C)C[C@@H]1COCCN(CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000823690189 1265415562 /nfs/dbraw/zinc/41/55/62/1265415562.db2.gz MPBZQCCGPUULFN-HNNXBMFYSA-N 1 0 336.863 2.626 50 0 EFAARO O=C(Cc1cccs1)N1C[C@H]2C[NH2+]C[C@@]2(CCc2ccccc2)C1 ZINC001772702632 1249285367 /nfs/dbraw/zinc/28/53/67/1249285367.db2.gz DEVUZMGLTHPZKR-XLIONFOSSA-N 1 0 340.492 2.971 50 0 EFAARO Clc1cnn(CCN2C[C@@H]3C[NH2+]C[C@]3(CCc3ccccc3)C2)c1 ZINC001772705695 1249290204 /nfs/dbraw/zinc/29/02/04/1249290204.db2.gz ZFRHHNDDCRGDED-PKOBYXMFSA-N 1 0 344.890 2.691 50 0 EFAARO OC[C@@]12C[N@H+](Cc3nc(-c4ccc(F)cc4)cs3)C[C@@H]1COCC2 ZINC001772706680 1249292502 /nfs/dbraw/zinc/29/25/02/1249292502.db2.gz OSIZJQBZHNLYAK-RDTXWAMCSA-N 1 0 348.443 2.780 50 0 EFAARO OC[C@@]12C[N@H+](Cc3ccc(CC(F)(F)F)cc3)C[C@@H]1COCC2 ZINC001772708007 1249294664 /nfs/dbraw/zinc/29/46/64/1249294664.db2.gz BBYHPXDKUSICEU-HZPDHXFCSA-N 1 0 329.362 2.622 50 0 EFAARO OC[C@@]12C[N@H+](Cc3cccc(F)c3C(F)(F)F)C[C@@H]1COCC2 ZINC001772708223 1249294906 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COCC(=O)Nc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)CC2)cc1C ZINC000952983503 1284980459 /nfs/dbraw/zinc/98/04/59/1284980459.db2.gz UBQUFNPBLSVUQT-HNNXBMFYSA-N 1 0 347.459 2.639 50 0 EFAARO CN(C[C@]1(C)CC[N@H+](C)C1)S(=O)(=O)Cc1ccc(Cl)cc1F ZINC000952983966 1284980476 /nfs/dbraw/zinc/98/04/76/1284980476.db2.gz MKVAQASFRFTFLD-OAHLLOKOSA-N 1 0 348.871 2.583 50 0 EFAARO O[C@@H]1CCCOC12CC[NH+](Cc1ccc(C(F)(F)F)nc1)CC2 ZINC000091587217 1290245710 /nfs/dbraw/zinc/24/57/10/1290245710.db2.gz VTPPDJKJDJGCMI-CQSZACIVSA-N 1 0 330.350 2.606 50 0 EFAARO O=C(c1cscn1)N1CCC[N@H+](CCCOc2ccccc2)CC1 ZINC001195232358 1293841609 /nfs/dbraw/zinc/84/16/09/1293841609.db2.gz JEMVKKUOTNJACH-UHFFFAOYSA-N 1 0 345.468 2.760 50 0 EFAARO CCCCN(Cc1sccc1C)C(=O)C[C@H]1CN(C)CC[N@@H+]1C ZINC000065528767 1294035826 /nfs/dbraw/zinc/03/58/26/1294035826.db2.gz JTHHPFVPYWVASV-INIZCTEOSA-N 1 0 337.533 2.821 50 0 EFAARO O[C@@]1(CN2CCc3[nH]c4ccccc4c3C2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000067856683 1309442211 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C[N@H+](Cc1cnccn1)C1CCN(c2ccc(-n3cccn3)cc2)CC1 ZINC000020868418 1314735260 /nfs/dbraw/zinc/73/52/60/1314735260.db2.gz NYBVJLBLHMLLHQ-UHFFFAOYSA-N 1 0 348.454 2.763 50 0 EFAARO Cc1cnn(CCC[N@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)c1 ZINC000072148863 1316227648 /nfs/dbraw/zinc/22/76/48/1316227648.db2.gz QBRMXHVNWDMBEY-FQEVSTJZSA-N 1 0 338.455 2.592 50 0 EFAARO Cc1cc(F)ccc1N1CCC([NH2+]Cc2nnc3ccccn32)CC1 ZINC001506395699 1405749411 /nfs/dbraw/zinc/74/94/11/1405749411.db2.gz DWSFSRHYNHROOE-UHFFFAOYSA-N 1 0 339.418 2.935 50 0 EFAARO Cc1ccc(-c2nnc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)s2)cc1 ZINC001506399395 1405750876 /nfs/dbraw/zinc/75/08/76/1405750876.db2.gz FOPWIQBUTATAIQ-ZDUSSCGKSA-N 1 0 328.441 2.842 50 0 EFAARO CN1c2ccccc2[C@]2(CCC[N@@H+](C3CSCCSC3)C2)C1=O ZINC001506401444 1405750982 /nfs/dbraw/zinc/75/09/82/1405750982.db2.gz RIXYHRJAUFDRRQ-GOSISDBHSA-N 1 0 348.537 2.845 50 0 EFAARO Cc1ccc(N2CCC([NH+]3CCN(C(=O)C4CCC4)CC3)CC2)cc1 ZINC001506400867 1405751039 /nfs/dbraw/zinc/75/10/39/1405751039.db2.gz GUAXZQUGGSRYCQ-UHFFFAOYSA-N 1 0 341.499 2.908 50 0 EFAARO COc1ccc2c(C)cc(N3C[C@H](O)[C@@H]([NH+]4CCCCC4)C3)nc2c1 ZINC001506403457 1405751563 /nfs/dbraw/zinc/75/15/63/1405751563.db2.gz OYVPLBZGPWBRBN-OALUTQOASA-N 1 0 341.455 2.587 50 0 EFAARO CSc1cccc(CN(C)C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)c1 ZINC001506403845 1405753159 /nfs/dbraw/zinc/75/31/59/1405753159.db2.gz ZQXGSJRPXSLZOD-KRWDZBQOSA-N 1 0 330.453 2.643 50 0 EFAARO O=C1CC[C@@H]([NH+]2CCC(Oc3ccncc3)CC2)CCN1CC1CC1 ZINC001506407101 1405754346 /nfs/dbraw/zinc/75/43/46/1405754346.db2.gz MKWJWVRVYHQKKF-QGZVFWFLSA-N 1 0 343.471 2.716 50 0 EFAARO Cc1cc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc2sc(N)nc21 ZINC001506412955 1405758106 /nfs/dbraw/zinc/75/81/06/1405758106.db2.gz GIGJYRRFEVMENK-CQSZACIVSA-N 1 0 338.436 2.840 50 0 EFAARO CC(=O)N[C@@H]1CCC[N@@H+](C2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC001506414129 1405758210 /nfs/dbraw/zinc/75/82/10/1405758210.db2.gz WATJVHJSORNBEP-CQSZACIVSA-N 1 0 337.414 2.534 50 0 EFAARO CN(C)S(=O)(=O)CCC[N@H+](C)C[C@]1(c2ccccc2)CC1(C)C ZINC001506417356 1405759732 /nfs/dbraw/zinc/75/97/32/1405759732.db2.gz IWHXMFDZLWLWEB-SFHVURJKSA-N 1 0 338.517 2.568 50 0 EFAARO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](CCn2ccnc2)CC1 ZINC001506421067 1405761294 /nfs/dbraw/zinc/76/12/94/1405761294.db2.gz UGJQIWQFCZNFOK-UHFFFAOYSA-N 1 0 339.361 2.886 50 0 EFAARO CCN1C[C@H](C[N@H+](C)C2CCN(c3ccc(F)cc3C)CC2)CC1=O ZINC001506431404 1405767967 /nfs/dbraw/zinc/76/79/67/1405767967.db2.gz NPEPVGWCLPFTCW-INIZCTEOSA-N 1 0 347.478 2.903 50 0 EFAARO CCc1cc(N[C@H](C(=O)NC)c2ccccc2)nc(N2CCCC2)[nH+]1 ZINC001704299210 1417901309 /nfs/dbraw/zinc/90/13/09/1417901309.db2.gz NYGRKHGURWMXBB-KRWDZBQOSA-N 1 0 339.443 2.538 50 0 EFAARO Cc1ncc2c(n1)[C@@]1(CC2)CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001704298479 1417901447 /nfs/dbraw/zinc/90/14/47/1417901447.db2.gz HSQLLBHBCJCVND-QGZVFWFLSA-N 1 0 331.851 2.615 50 0 EFAARO CO[C@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1Cc1cc(C)no1 ZINC001704300715 1417901501 /nfs/dbraw/zinc/90/15/01/1417901501.db2.gz YOUOWLGBRWQXLB-KDOFPFPSSA-N 1 0 334.391 2.690 50 0 EFAARO CCc1cc(N[C@@H](C(=O)NC)c2ccccc2)nc(N2CCCC2)[nH+]1 ZINC001704299211 1417901537 /nfs/dbraw/zinc/90/15/37/1417901537.db2.gz NYGRKHGURWMXBB-QGZVFWFLSA-N 1 0 339.443 2.538 50 0 EFAARO Cc1cccc(Cl)c1C[NH+]1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O ZINC001704311937 1417904108 /nfs/dbraw/zinc/90/41/08/1417904108.db2.gz FXVJFGVZNQLYMY-DLBZAZTESA-N 1 0 339.863 2.515 50 0 EFAARO Cc1cc2cc(C(=O)N(CC[NH+](C)C)Cc3[nH]cnc3C)ccc2o1 ZINC001704325972 1417907803 /nfs/dbraw/zinc/90/78/03/1417907803.db2.gz PZDOOHVRERAVHI-UHFFFAOYSA-N 1 0 340.427 2.977 50 0 EFAARO CCCOc1ccc(OCC[N@H+](C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)cc1 ZINC001704329499 1417908160 /nfs/dbraw/zinc/90/81/60/1417908160.db2.gz VQSFDTDTKVMENV-IXDOHACOSA-N 1 0 346.471 2.701 50 0 EFAARO Cc1noc(C)c1C[N@H+]1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1 ZINC001704342092 1417912015 /nfs/dbraw/zinc/91/20/15/1417912015.db2.gz GEPKBYYHCJCNIS-OXQOHEQNSA-N 1 0 337.423 2.875 50 0 EFAARO O[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1Cc1ccncc1 ZINC001704341482 1417912072 /nfs/dbraw/zinc/91/20/72/1417912072.db2.gz UDAXFTLFZDZTJL-WOJBJXKFSA-N 1 0 326.440 2.524 50 0 EFAARO O=c1cc([C@@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)nc[nH]1 ZINC001704351017 1417914925 /nfs/dbraw/zinc/91/49/25/1417914925.db2.gz MFOSMMZZGGUOEM-CYBMUJFWSA-N 1 0 345.472 2.619 50 0 EFAARO COc1ccc(CC[C@H](C)[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000023282791 717932625 /nfs/dbraw/zinc/93/26/25/717932625.db2.gz BNZLMNRHOYEFEK-INIZCTEOSA-N 1 0 326.444 2.629 50 0 EFAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000022918647 715444266 /nfs/dbraw/zinc/44/42/66/715444266.db2.gz MVEKIRCCMIYCDJ-SFHVURJKSA-N 1 0 349.450 2.564 50 0 EFAARO c1c(CN2CCC([NH+]3CCSCC3)CC2)onc1-c1ccncc1 ZINC000252483274 716660127 /nfs/dbraw/zinc/66/01/27/716660127.db2.gz DYHRYOBEDALBDM-UHFFFAOYSA-N 1 0 344.484 2.750 50 0 EFAARO CSCCc1nc([C@H](C)n2ccnc2C)n(C2CC[NH+](C)CC2)n1 ZINC000096139970 717618060 /nfs/dbraw/zinc/61/80/60/717618060.db2.gz GXOWDVVXBQIOCZ-ZDUSSCGKSA-N 1 0 348.520 2.565 50 0 EFAARO C[N@H+](CCCn1cccn1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000023373459 718111943 /nfs/dbraw/zinc/11/19/43/718111943.db2.gz ARQGXFYWKSOMRE-FQEVSTJZSA-N 1 0 338.499 2.837 50 0 EFAARO Cn1cc(CC[N@H+](C)[C@@H]2CCC(=O)N(CC3CCCCC3)CC2)cn1 ZINC000023542277 718241456 /nfs/dbraw/zinc/24/14/56/718241456.db2.gz GZRAAULFMBNHIL-LJQANCHMSA-N 1 0 346.519 2.856 50 0 EFAARO Cc1cc(F)ccc1CN1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000981456572 718732101 /nfs/dbraw/zinc/73/21/01/718732101.db2.gz CXNAEVOLXUSGNT-LJQANCHMSA-N 1 0 347.478 2.653 50 0 EFAARO O=C([C@@H]1CC[NH2+]C1)N(CCc1ccc(Cl)cc1)Cc1ccncc1 ZINC000097610036 219040880 /nfs/dbraw/zinc/04/08/80/219040880.db2.gz LDSSXQJCLAVNKR-QGZVFWFLSA-N 1 0 343.858 2.916 50 0 EFAARO Cc1nc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)n(-c2cccc(C)n2)n1 ZINC000097654057 219044468 /nfs/dbraw/zinc/04/44/68/219044468.db2.gz XONXNUOYFNVGPE-MRXNPFEDSA-N 1 0 341.459 2.638 50 0 EFAARO CNc1cc(C(=O)NC2CC[NH+](Cc3cccs3)CC2)ccn1 ZINC000097657242 219044811 /nfs/dbraw/zinc/04/48/11/219044811.db2.gz UKOFMLWPHPPLCY-UHFFFAOYSA-N 1 0 330.457 2.579 50 0 EFAARO COc1cccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1OC ZINC000004725493 210260747 /nfs/dbraw/zinc/26/07/47/210260747.db2.gz CWBSFUKRYSTFHL-UHFFFAOYSA-N 1 0 346.471 2.928 50 0 EFAARO CN(CC(=O)NCc1ccc(-c2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000097698720 219049859 /nfs/dbraw/zinc/04/98/59/219049859.db2.gz ZVRKTNYHBAAGPD-UHFFFAOYSA-N 1 0 337.467 2.654 50 0 EFAARO COC[C@@H](C)N(Cc1cccc(F)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000097711708 219049931 /nfs/dbraw/zinc/04/99/31/219049931.db2.gz ROYJFKCAJNDAGG-OAHLLOKOSA-N 1 0 336.451 2.921 50 0 EFAARO O=C(NCc1csc(N2CCCC2)n1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000097717166 219050739 /nfs/dbraw/zinc/05/07/39/219050739.db2.gz XBVOFAGIZHCEFL-HZPDHXFCSA-N 1 0 348.516 2.624 50 0 EFAARO C[NH+](C)CCNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 ZINC000004699619 210252435 /nfs/dbraw/zinc/25/24/35/210252435.db2.gz WFTBUKPXWQEXPT-UHFFFAOYSA-N 1 0 339.439 2.809 50 0 EFAARO CCc1oc(C(=O)N[C@@H](C)Cc2cnccn2)cc1C[NH+]1CCCC1 ZINC000055088074 214270430 /nfs/dbraw/zinc/27/04/30/214270430.db2.gz BDZLCZPFKKKDEE-AWEZNQCLSA-N 1 0 342.443 2.589 50 0 EFAARO CCCC(=O)Nc1ccc(CC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000055109025 214275024 /nfs/dbraw/zinc/27/50/24/214275024.db2.gz KOOYGJPFSRGYBD-UHFFFAOYSA-N 1 0 331.460 2.570 50 0 EFAARO Cc1ccc(NC(=O)NCC2([NH+](C)C)CCOCC2)c(Cl)c1 ZINC000097743651 219053889 /nfs/dbraw/zinc/05/38/89/219053889.db2.gz HPTBWGFTYNHHDC-UHFFFAOYSA-N 1 0 325.840 2.881 50 0 EFAARO CCSc1nc(CC(=O)NCC[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000055120570 214276487 /nfs/dbraw/zinc/27/64/87/214276487.db2.gz FBOZNLZJPVHHAC-ZDUSSCGKSA-N 1 0 327.519 2.788 50 0 EFAARO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3ccc4nccn4n3)CC2)o1 ZINC000097758058 219054538 /nfs/dbraw/zinc/05/45/38/219054538.db2.gz LDVJQCRNHSWKBD-HNNXBMFYSA-N 1 0 339.443 2.947 50 0 EFAARO Cc1cc(C)c(C)c(C(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)c1C ZINC000055200081 214288777 /nfs/dbraw/zinc/28/87/77/214288777.db2.gz DGPBAYXHPZYEED-UHFFFAOYSA-N 1 0 343.515 2.678 50 0 EFAARO Cc1cnc(CNC(=O)c2ccc([C@@H](C)[NH+]3CCCCC3)o2)cn1 ZINC000097766560 219055262 /nfs/dbraw/zinc/05/52/62/219055262.db2.gz ZGINXGCYBUIPTH-CQSZACIVSA-N 1 0 328.416 2.855 50 0 EFAARO CCNC(=O)N1CCC([NH2+]Cc2cc(C)c(OC(C)=O)c(C)c2)CC1 ZINC000055242866 214293878 /nfs/dbraw/zinc/29/38/78/214293878.db2.gz FXQUQDOPXCMYDN-UHFFFAOYSA-N 1 0 347.459 2.512 50 0 EFAARO CCC[N@H+](Cc1ccccc1OC)Cc1ccccc1OCC(N)=O ZINC000055324833 214306547 /nfs/dbraw/zinc/30/65/47/214306547.db2.gz VPKMWQBTLRYIFK-UHFFFAOYSA-N 1 0 342.439 2.972 50 0 EFAARO CCN(C(C)=O)[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000055281498 214300174 /nfs/dbraw/zinc/30/01/74/214300174.db2.gz GRGRICQYQIQXJS-QGZVFWFLSA-N 1 0 330.407 2.659 50 0 EFAARO CCc1nc(CN(C)C(=O)c2cc(C[NH+](CC)CC)c(CC)o2)no1 ZINC000055281508 214300395 /nfs/dbraw/zinc/30/03/95/214300395.db2.gz AVHJSAWEPCCGSJ-UHFFFAOYSA-N 1 0 348.447 2.901 50 0 EFAARO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000055291848 214303146 /nfs/dbraw/zinc/30/31/46/214303146.db2.gz AYUFNFIPJOARGV-UHFFFAOYSA-N 1 0 328.387 2.935 50 0 EFAARO CN(C)Cc1cn(C2CC[NH+](C/C=C/c3ccccc3)CC2)nn1 ZINC000055306937 214303945 /nfs/dbraw/zinc/30/39/45/214303945.db2.gz XGBXJYVTJJLMGV-RMKNXTFCSA-N 1 0 325.460 2.690 50 0 EFAARO Cc1c(NCc2cccnc2)cccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000055310141 214305093 /nfs/dbraw/zinc/30/50/93/214305093.db2.gz OCTVIGDGGYPJEZ-QGZVFWFLSA-N 1 0 338.455 2.778 50 0 EFAARO Cn1cnnc1CC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000055383197 214314268 /nfs/dbraw/zinc/31/42/68/214314268.db2.gz QORQSUSQGFFWRL-UHFFFAOYSA-N 1 0 340.471 2.983 50 0 EFAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)C1 ZINC000055393340 214316643 /nfs/dbraw/zinc/31/66/43/214316643.db2.gz AYPQEJARINYKOY-AWEZNQCLSA-N 1 0 337.851 2.855 50 0 EFAARO Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1NC(=O)C1CC1 ZINC000055393505 214318137 /nfs/dbraw/zinc/31/81/37/214318137.db2.gz BNIHGYJPLZTFDF-KRWDZBQOSA-N 1 0 341.455 2.654 50 0 EFAARO CCOc1ccc(CN(CCOC)C(=O)[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000055393200 214317381 /nfs/dbraw/zinc/31/73/81/214317381.db2.gz URNSRUBBXPAGDX-SFHVURJKSA-N 1 0 348.487 2.791 50 0 EFAARO Cc1nc(C)n(C[C@@H](C)C(=O)N(CC[NH+]2CCCCCC2)C(C)C)n1 ZINC000055392767 214317453 /nfs/dbraw/zinc/31/74/53/214317453.db2.gz DMEIMTQRDOJDRS-MRXNPFEDSA-N 1 0 349.523 2.644 50 0 EFAARO C[C@@H](CO)C[N@H+](CCn1c(=O)oc2ccccc21)Cc1ccccc1 ZINC000055392925 214317533 /nfs/dbraw/zinc/31/75/33/214317533.db2.gz YYNWBRFGKRHIBS-MRXNPFEDSA-N 1 0 340.423 2.725 50 0 EFAARO COc1cccc(CN(C)[C@@H](C)c2ccon2)c1OCC[NH+](C)C ZINC000055402007 214317763 /nfs/dbraw/zinc/31/77/63/214317763.db2.gz QMROOIDTYUYTNN-AWEZNQCLSA-N 1 0 333.432 2.817 50 0 EFAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCN[C@@H](c2ccccc2)C1 ZINC000097797511 219057836 /nfs/dbraw/zinc/05/78/36/219057836.db2.gz NBCVBXDTDJPFGQ-GOSISDBHSA-N 1 0 339.439 2.662 50 0 EFAARO Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000097823594 219058983 /nfs/dbraw/zinc/05/89/83/219058983.db2.gz FGVQUTFKMWMKHU-ICSRJNTNSA-N 1 0 337.398 2.899 50 0 EFAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3cccs3)C2=O)cc1 ZINC000100129300 219091610 /nfs/dbraw/zinc/09/16/10/219091610.db2.gz YQBAKFDSZZSHKP-MRXNPFEDSA-N 1 0 344.436 2.959 50 0 EFAARO C[NH+](C)CCCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000004511574 210209300 /nfs/dbraw/zinc/20/93/00/210209300.db2.gz PNXMYHCCIPOBKI-UHFFFAOYSA-N 1 0 349.434 2.857 50 0 EFAARO O=C1C[C@H]([NH2+]Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000100632288 219102449 /nfs/dbraw/zinc/10/24/49/219102449.db2.gz XLIRJIHUJIXQCN-HNNXBMFYSA-N 1 0 332.762 2.901 50 0 EFAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2c(Cl)cccc2Cl)n1 ZINC000004414861 210190196 /nfs/dbraw/zinc/19/01/96/210190196.db2.gz AKDZIIHRFGRQGV-UHFFFAOYSA-N 1 0 344.227 2.679 50 0 EFAARO C[NH+](C)CCNC(=O)COc1cc(-c2ccccc2)nc2ccccc21 ZINC000004336330 210174936 /nfs/dbraw/zinc/17/49/36/210174936.db2.gz KRJBRXGETVWLNX-UHFFFAOYSA-N 1 0 349.434 2.958 50 0 EFAARO C[C@H]1CCC[N@H+](C[C@H](O)COCCOc2ccc(Cl)cc2)C1 ZINC000004279098 210159543 /nfs/dbraw/zinc/15/95/43/210159543.db2.gz MYBQEMJOUOSTPB-HOCLYGCPSA-N 1 0 327.852 2.828 50 0 EFAARO [NH3+]CCc1nc2ccccc2c(NCCc2nc3c(s2)CCC3)n1 ZINC000065396186 214889336 /nfs/dbraw/zinc/88/93/36/214889336.db2.gz KQEKILIZFRGIBW-UHFFFAOYSA-N 1 0 339.468 2.731 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)NC[C@]2(c3ccc(F)cc3)CCOC2)CC1 ZINC000065495334 214932645 /nfs/dbraw/zinc/93/26/45/214932645.db2.gz JQKMPIJALTWGMB-HXUWFJFHSA-N 1 0 348.462 2.720 50 0 EFAARO CC[NH+](CC)CCCNC(=O)C(=O)c1c(C)n(C)c2ccccc21 ZINC000004062497 210110897 /nfs/dbraw/zinc/11/08/97/210110897.db2.gz QKCKHNNMEABHGQ-UHFFFAOYSA-N 1 0 329.444 2.518 50 0 EFAARO CC[C@]1(C)C[C@@H]([C@H](O)C[NH2+]Cc2ccc(OC)c(OC)c2)CCO1 ZINC000004025608 210101509 /nfs/dbraw/zinc/10/15/09/210101509.db2.gz RMOMIOWOQMAUHS-FRQCXROJSA-N 1 0 337.460 2.750 50 0 biogenic EFAARO C[C@H](C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1)[NH+]1CCCC1 ZINC000102546672 219210117 /nfs/dbraw/zinc/21/01/17/219210117.db2.gz BDFIXOAMMXFXKV-CYBMUJFWSA-N 1 0 342.418 2.585 50 0 EFAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)n1 ZINC000067457709 215148191 /nfs/dbraw/zinc/14/81/91/215148191.db2.gz GZBAZVLYUUYTBU-AWEZNQCLSA-N 1 0 342.491 2.909 50 0 EFAARO Cn1nc2c(c1C(=O)N1CCC3(CC1)CCC[N@H+](C)CC3)CCCC2 ZINC000067540076 215158125 /nfs/dbraw/zinc/15/81/25/215158125.db2.gz NKQVSJLJFRIFJM-UHFFFAOYSA-N 1 0 344.503 2.637 50 0 EFAARO COc1ccc(O)cc1C[N@@H+]1CCC[C@@H](CNC(=O)C2CCC2)C1 ZINC000067473083 215151302 /nfs/dbraw/zinc/15/13/02/215151302.db2.gz AHKWVQATKNQEOT-AWEZNQCLSA-N 1 0 332.444 2.529 50 0 EFAARO COc1ccc(CN(C)c2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)cc1 ZINC000067540640 215159893 /nfs/dbraw/zinc/15/98/93/215159893.db2.gz JCUAKGJBLFRBJT-MRXNPFEDSA-N 1 0 326.444 2.897 50 0 EFAARO COCC[C@@H]1CCCC[N@@H+]1Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000067561774 215161558 /nfs/dbraw/zinc/16/15/58/215161558.db2.gz CCOZHLBSVAJINH-INIZCTEOSA-N 1 0 330.428 2.928 50 0 EFAARO CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2ccccc2F)n1 ZINC000067622200 215169344 /nfs/dbraw/zinc/16/93/44/215169344.db2.gz HTVJKKNUKVTMOC-UHFFFAOYSA-N 1 0 332.383 2.590 50 0 EFAARO COc1ccc2c(c1)C[C@H]([NH2+]CCn1ncc3ccccc3c1=O)CC2 ZINC000067641565 215171722 /nfs/dbraw/zinc/17/17/22/215171722.db2.gz CKKANXYYXINBIW-GOSISDBHSA-N 1 0 349.434 2.552 50 0 EFAARO CSc1ccc(-c2nc(CN3CCO[C@@H](CC[NH3+])C3)c(C)o2)cc1 ZINC000067675366 215180480 /nfs/dbraw/zinc/18/04/80/215180480.db2.gz KTVJPKDALYGDGK-HNNXBMFYSA-N 1 0 347.484 2.922 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1O ZINC000067675644 215181203 /nfs/dbraw/zinc/18/12/03/215181203.db2.gz BMNFFXSFUGEZAO-OAHLLOKOSA-N 1 0 334.460 2.775 50 0 EFAARO Cc1nnsc1C(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000067688558 215184021 /nfs/dbraw/zinc/18/40/21/215184021.db2.gz ZXPBVMMOUJKZAK-MRXNPFEDSA-N 1 0 344.484 2.674 50 0 EFAARO CC[C@@H]1CN(Cc2cnc(-c3ccccn3)nc2)CC[N@@H+]1C(C)C ZINC000067696434 215189958 /nfs/dbraw/zinc/18/99/58/215189958.db2.gz OLRISSYBLVFZJU-QGZVFWFLSA-N 1 0 325.460 2.843 50 0 EFAARO CCc1nccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3occc3C)C2)n1 ZINC000067723140 215194860 /nfs/dbraw/zinc/19/48/60/215194860.db2.gz IQCGEAZGZKGSCX-HNNXBMFYSA-N 1 0 342.443 2.582 50 0 EFAARO O=C(NCC1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1cccnn1 ZINC000067725858 215196343 /nfs/dbraw/zinc/19/63/43/215196343.db2.gz QMFSUFXOWWBJLE-UHFFFAOYSA-N 1 0 349.438 2.600 50 0 EFAARO CC(=O)Nc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000067758659 215205884 /nfs/dbraw/zinc/20/58/84/215205884.db2.gz JIJUSMTUFKSIQG-MRXNPFEDSA-N 1 0 331.460 2.661 50 0 EFAARO CNc1ccc(C)cc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000067757055 215204934 /nfs/dbraw/zinc/20/49/34/215204934.db2.gz MVLLZPHPLBRVLY-UHFFFAOYSA-N 1 0 345.487 2.658 50 0 EFAARO COc1ccc(-n2ccnc2CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000067771388 215208179 /nfs/dbraw/zinc/20/81/79/215208179.db2.gz GQYKODMKIDZQLF-HNNXBMFYSA-N 1 0 337.427 2.984 50 0 EFAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)o1 ZINC000067773232 215208981 /nfs/dbraw/zinc/20/89/81/215208981.db2.gz LCDUZLGFSALBIG-INIZCTEOSA-N 1 0 345.487 2.543 50 0 EFAARO COc1ccc2[nH]c(=O)c(C[N@H+](C)CCC[C@H]3CCCO3)cc2c1 ZINC000067774203 215209931 /nfs/dbraw/zinc/20/99/31/215209931.db2.gz LGLIWARDKNVONI-INIZCTEOSA-N 1 0 330.428 2.928 50 0 EFAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccccc3O)cnn2c1 ZINC000067802864 215215141 /nfs/dbraw/zinc/21/51/41/215215141.db2.gz VNUZQBKBVCFWIM-UHFFFAOYSA-N 1 0 339.399 2.529 50 0 EFAARO CC(C)n1cc(C2=CC[N@H+](CCC(=O)NCc3ccco3)CC2)cn1 ZINC000067803126 215215343 /nfs/dbraw/zinc/21/53/43/215215343.db2.gz VSBJXXXHEIQJIW-UHFFFAOYSA-N 1 0 342.443 2.853 50 0 EFAARO CC(C)CC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2ccoc2)C1=O ZINC000067817692 215219998 /nfs/dbraw/zinc/21/99/98/215219998.db2.gz BYISRFWNMONCTE-SFHVURJKSA-N 1 0 333.432 2.506 50 0 EFAARO C[NH+]1CCC(Cc2noc([C@]34CC[C@](C)([C@@H](O)C3)C4(C)C)n2)CC1 ZINC000067820779 215221218 /nfs/dbraw/zinc/22/12/18/215221218.db2.gz AQONLEXZRSSZSY-KYNGSXCRSA-N 1 0 333.476 2.783 50 0 EFAARO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000067822081 215223237 /nfs/dbraw/zinc/22/32/37/215223237.db2.gz BJGNTJRLPLECFM-OAHLLOKOSA-N 1 0 342.439 2.891 50 0 EFAARO CCC[N@@H+]1CCC=C(Cn2nccc2NC(=O)c2ccncc2)C1 ZINC000067840099 215225988 /nfs/dbraw/zinc/22/59/88/215225988.db2.gz OXKXVFBAONPTOB-UHFFFAOYSA-N 1 0 325.416 2.573 50 0 EFAARO CCc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3ncccc3C)C2)nc1 ZINC000067843250 215228969 /nfs/dbraw/zinc/22/89/69/215228969.db2.gz AFJQRRHTGUEYRI-QGZVFWFLSA-N 1 0 338.455 2.599 50 0 EFAARO Cc1ccc(F)c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccn3)C2)c1F ZINC000067852373 215231472 /nfs/dbraw/zinc/23/14/72/215231472.db2.gz HBCNKSXLMQNGLL-CQSZACIVSA-N 1 0 345.393 2.920 50 0 EFAARO Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000067852332 215231916 /nfs/dbraw/zinc/23/19/16/215231916.db2.gz PLVRFKPQHPZJOC-SFHVURJKSA-N 1 0 338.455 2.843 50 0 EFAARO [NH3+]C[C@H]1CCN(C(=O)c2cccc(NCc3ccc(F)cc3)c2)C1 ZINC000067856197 215232881 /nfs/dbraw/zinc/23/28/81/215232881.db2.gz JKBOMRBRCUXLDG-OAHLLOKOSA-N 1 0 327.403 2.859 50 0 EFAARO C[NH+]1CCC(Cc2noc(-c3[nH]nc(N)c3-c3ccccc3)n2)CC1 ZINC000067856290 215233570 /nfs/dbraw/zinc/23/35/70/215233570.db2.gz JVCCLBNSWDKMKS-UHFFFAOYSA-N 1 0 338.415 2.593 50 0 EFAARO CC[N@H+](Cc1ccncc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067879866 215238883 /nfs/dbraw/zinc/23/88/83/215238883.db2.gz LSXHXBGCBIYOMB-UHFFFAOYSA-N 1 0 337.379 2.674 50 0 EFAARO Cc1c(NCc2ccccn2)cccc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000067896343 215243165 /nfs/dbraw/zinc/24/31/65/215243165.db2.gz GULMKTKENMHLNV-INIZCTEOSA-N 1 0 338.455 2.684 50 0 EFAARO COc1ccc(-c2n[nH]cc2CNC(=O)C[NH+]2CCCCCC2)cc1 ZINC000067884956 215240503 /nfs/dbraw/zinc/24/05/03/215240503.db2.gz DLRVYUYJDGJWKY-UHFFFAOYSA-N 1 0 342.443 2.578 50 0 EFAARO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000067885198 215240591 /nfs/dbraw/zinc/24/05/91/215240591.db2.gz TXOSGVWRPLUAGI-AWEZNQCLSA-N 1 0 349.500 2.503 50 0 EFAARO CC[C@@]1(CO)CCC[N@H+](Cc2cc3ccc(OC)cc3[nH]c2=O)C1 ZINC000067910183 215247953 /nfs/dbraw/zinc/24/79/53/215247953.db2.gz JWWUULVIEJPPHX-LJQANCHMSA-N 1 0 330.428 2.521 50 0 EFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 ZINC000067910035 215248961 /nfs/dbraw/zinc/24/89/61/215248961.db2.gz URGQBRWSZYJJTC-OAHLLOKOSA-N 1 0 330.476 2.881 50 0 EFAARO CC[C@H](C)Cn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O ZINC000067935103 215253192 /nfs/dbraw/zinc/25/31/92/215253192.db2.gz KOIRIXBWAXRYBQ-HNNXBMFYSA-N 1 0 328.460 2.606 50 0 EFAARO Cc1cc(C(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)ccc1F ZINC000067935464 215254972 /nfs/dbraw/zinc/25/49/72/215254972.db2.gz ZVBTVQUXJLXKAM-OAHLLOKOSA-N 1 0 334.435 2.707 50 0 EFAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)COc2cccnc2)cc1 ZINC000067947657 215255386 /nfs/dbraw/zinc/25/53/86/215255386.db2.gz DRYMERJZWVITKF-IBGZPJMESA-N 1 0 339.439 2.886 50 0 EFAARO CCn1c(=O)n(C)nc1[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000067974639 215263629 /nfs/dbraw/zinc/26/36/29/215263629.db2.gz AEUTVOIGTWBCFV-HNNXBMFYSA-N 1 0 340.427 2.728 50 0 EFAARO Cc1ccc(C(=O)NCC[C@H]2CCC[N@H+](Cc3ccccn3)C2)cn1 ZINC000067946706 215256486 /nfs/dbraw/zinc/25/64/86/215256486.db2.gz JVWPEMGQSLOLMJ-QGZVFWFLSA-N 1 0 338.455 2.817 50 0 EFAARO COc1ccc2c(c1)C[C@H](c1nc(CC3CC[NH+](C)CC3)no1)CO2 ZINC000067947664 215256731 /nfs/dbraw/zinc/25/67/31/215256731.db2.gz OUTCDOAHSOSGLO-HNNXBMFYSA-N 1 0 343.427 2.681 50 0 EFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccs3)CC2)C1 ZINC000067948026 215256970 /nfs/dbraw/zinc/25/69/70/215256970.db2.gz PIJKSBLZDTXCPG-HNNXBMFYSA-N 1 0 347.528 2.703 50 0 EFAARO CCOc1ccccc1-c1nc(CN2[C@@H]3CC[C@H]2C[NH2+]C3)c(C)o1 ZINC000067954620 215259667 /nfs/dbraw/zinc/25/96/67/215259667.db2.gz IYWXLDTUXYRVMQ-GASCZTMLSA-N 1 0 327.428 2.985 50 0 EFAARO CCc1nc(C)c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)o1 ZINC000067956430 215261254 /nfs/dbraw/zinc/26/12/54/215261254.db2.gz AAFHWBCTNFHVKR-AWEZNQCLSA-N 1 0 331.416 2.780 50 0 EFAARO CC(=O)c1ccccc1C(=O)NC[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000067983555 215267948 /nfs/dbraw/zinc/26/79/48/215267948.db2.gz ABJXORRKBYZSNG-QGZVFWFLSA-N 1 0 337.423 2.536 50 0 EFAARO C[NH+](C)CCCn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O ZINC000040387657 213295813 /nfs/dbraw/zinc/29/58/13/213295813.db2.gz SCXKTDFBFMBATO-UHFFFAOYSA-N 1 0 347.422 2.663 50 0 EFAARO COc1cccc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)c1 ZINC000039436694 213236076 /nfs/dbraw/zinc/23/60/76/213236076.db2.gz KSJYXUPLYFDGEN-LJQANCHMSA-N 1 0 332.488 2.897 50 0 EFAARO CC(=O)c1cccc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c1 ZINC000039404933 213236158 /nfs/dbraw/zinc/23/61/58/213236158.db2.gz XQJIEPDZCCXCRQ-LJQANCHMSA-N 1 0 332.488 2.804 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CSc1nnc2ccc(-c3ccccn3)nn21 ZINC000038770673 213225558 /nfs/dbraw/zinc/22/55/58/213225558.db2.gz CKHAHNWIOSIKIS-ZDUSSCGKSA-N 1 0 340.456 2.763 50 0 EFAARO COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1OC ZINC000000783095 209687018 /nfs/dbraw/zinc/68/70/18/209687018.db2.gz VWEOIYVDDXSYRO-MRXNPFEDSA-N 1 0 344.455 2.818 50 0 EFAARO COC(=O)c1c2c(sc1NC(=O)C[NH2+]C1CCCCC1)CCC2 ZINC000036646062 213107833 /nfs/dbraw/zinc/10/78/33/213107833.db2.gz CJUMBCBHTOJENJ-UHFFFAOYSA-N 1 0 336.457 2.884 50 0 EFAARO COC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CCC2 ZINC000036646061 213107236 /nfs/dbraw/zinc/10/72/36/213107236.db2.gz CYADAOXSYHNNSA-UHFFFAOYSA-N 1 0 344.436 2.752 50 0 EFAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)C3CCC3)sc2c1 ZINC000036642224 213106681 /nfs/dbraw/zinc/10/66/81/213106681.db2.gz KVMGWGNZKIUUEQ-UHFFFAOYSA-N 1 0 333.457 3.000 50 0 EFAARO C[NH+](C)CCNC(=O)c1cc2occc2n1Cc1ccccc1F ZINC000036367023 213091064 /nfs/dbraw/zinc/09/10/64/213091064.db2.gz ZGMHXXWOMJPMMK-UHFFFAOYSA-N 1 0 329.375 2.713 50 0 EFAARO CC(C)(CO)[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000035287319 213018731 /nfs/dbraw/zinc/01/87/31/213018731.db2.gz BFIOLGVXNHQFHG-UHFFFAOYSA-N 1 0 336.439 2.854 50 0 EFAARO Cn1nc(CN(C(=O)c2ccccc2)c2ccccc2)c2c1CC[NH2+]C2 ZINC000034928765 213001218 /nfs/dbraw/zinc/00/12/18/213001218.db2.gz OYZJSKURBLUPEI-UHFFFAOYSA-N 1 0 346.434 2.913 50 0 EFAARO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC000034925618 213000309 /nfs/dbraw/zinc/00/03/09/213000309.db2.gz DZXFFSGYXRUIDR-MOPGFXCFSA-N 1 0 330.472 2.926 50 0 EFAARO FC(F)(F)[C@@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000071760901 215816010 /nfs/dbraw/zinc/81/60/10/215816010.db2.gz VEZAVIVXGFQXCU-KRWDZBQOSA-N 1 0 342.405 2.957 50 0 EFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Br)s2)N1 ZINC000004818231 283410216 /nfs/dbraw/zinc/41/02/16/283410216.db2.gz CQOKEKLHRACNDM-NSHDSACASA-N 1 0 348.229 2.957 50 0 EFAARO C[N@H+](Cc1cccnc1N)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000072128254 216019307 /nfs/dbraw/zinc/01/93/07/216019307.db2.gz GFGQRFXOZWHKOX-QGZVFWFLSA-N 1 0 328.435 2.899 50 0 EFAARO O=C(CCc1ccncc1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072129255 216019648 /nfs/dbraw/zinc/01/96/48/216019648.db2.gz VAAWJHMRKGGKEJ-OAQYLSRUSA-N 1 0 349.478 2.716 50 0 EFAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccc(C)c(C)c2)n1 ZINC000072117588 216012240 /nfs/dbraw/zinc/01/22/40/216012240.db2.gz AACGEPMHVZTJCQ-UHFFFAOYSA-N 1 0 327.432 2.676 50 0 EFAARO Clc1cccc2c3c([nH]c21)CCN(Cc1cc2n(n1)CC[NH2+]C2)C3 ZINC000072127146 216018102 /nfs/dbraw/zinc/01/81/02/216018102.db2.gz GQQFVIKFUYXSEI-UHFFFAOYSA-N 1 0 341.846 2.679 50 0 EFAARO COC(=O)c1n[nH]cc1C[N@@H+]1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000072130968 216020949 /nfs/dbraw/zinc/02/09/49/216020949.db2.gz MNRBCWLDNXOIMJ-MRXNPFEDSA-N 1 0 343.427 2.889 50 0 EFAARO CN(Cc1noc2c1CCCC2)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072129479 216021353 /nfs/dbraw/zinc/02/13/53/216021353.db2.gz FACURWXTOOYMAY-CQSZACIVSA-N 1 0 339.439 2.903 50 0 EFAARO O=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000072132912 216022544 /nfs/dbraw/zinc/02/25/44/216022544.db2.gz IZCFUDZHGCRYNQ-AWEZNQCLSA-N 1 0 325.412 2.641 50 0 EFAARO CCCO[C@H]1CCCN(c2nc(-c3cccnc3)nc3c2C[NH2+]C3)C1 ZINC000072132941 216022707 /nfs/dbraw/zinc/02/27/07/216022707.db2.gz KPMNJNWZLGAXTM-HNNXBMFYSA-N 1 0 339.443 2.537 50 0 EFAARO CCn1nc(C)c(C[N@@H+]2CCCN(Cc3cccnc3)CC2)c1C ZINC000072137184 216025447 /nfs/dbraw/zinc/02/54/47/216025447.db2.gz RRBXYFQKXTZHIJ-UHFFFAOYSA-N 1 0 327.476 2.623 50 0 EFAARO CC(C)c1noc(CN(Cc2cccnc2)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000072138991 216026116 /nfs/dbraw/zinc/02/61/16/216026116.db2.gz LFJKMOOSKUFRAB-QGZVFWFLSA-N 1 0 341.459 2.684 50 0 EFAARO COc1cccc(OC)c1CNC(=O)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000072143117 216028856 /nfs/dbraw/zinc/02/88/56/216028856.db2.gz GPSIVPVZMHNQET-MRXNPFEDSA-N 1 0 340.423 2.711 50 0 EFAARO CN(Cc1[nH]nc2c1CCCC2)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072147337 216033352 /nfs/dbraw/zinc/03/33/52/216033352.db2.gz CNDSFEYQXWDWOD-AWEZNQCLSA-N 1 0 338.455 2.638 50 0 EFAARO c1ccc(COCC[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)cc1 ZINC000072147146 216033854 /nfs/dbraw/zinc/03/38/54/216033854.db2.gz RVYRXBPRRKUPTN-HXUWFJFHSA-N 1 0 332.488 2.780 50 0 EFAARO CN1C[C@]2(CCC[N@H+](Cc3ccc(-n4cccn4)cc3)CC2)OC1=O ZINC000072140370 216027823 /nfs/dbraw/zinc/02/78/23/216027823.db2.gz 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ZINC000072157558 216046923 /nfs/dbraw/zinc/04/69/23/216046923.db2.gz JWQZELYEQRBGQF-MRXNPFEDSA-N 1 0 339.439 2.598 50 0 EFAARO O=C(CCc1ccccn1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072164302 216052667 /nfs/dbraw/zinc/05/26/67/216052667.db2.gz JIADBMZGUYDEOL-OAQYLSRUSA-N 1 0 349.478 2.716 50 0 EFAARO Cn1c(CNC(=O)c2cccc([C@@H]3CC[NH2+]C3)c2)nc2ccccc21 ZINC000072165315 216054554 /nfs/dbraw/zinc/05/45/54/216054554.db2.gz QELMPPMKFBMBFW-MRXNPFEDSA-N 1 0 334.423 2.580 50 0 EFAARO CCc1cc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)ccn1 ZINC000072167535 216057124 /nfs/dbraw/zinc/05/71/24/216057124.db2.gz QPGUWDLBZJCKKR-NRFANRHFSA-N 1 0 349.478 2.959 50 0 EFAARO CC[C@@H](Cn1ccnc1)NC(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072167511 216057578 /nfs/dbraw/zinc/05/75/78/216057578.db2.gz LACRHGOJRFWMPD-IBGZPJMESA-N 1 0 340.471 2.634 50 0 EFAARO Fc1cc(F)cc([C@H]2CN(Cc3ncc[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072167220 216057787 /nfs/dbraw/zinc/05/77/87/216057787.db2.gz LNMOAFQWYAWKBA-BHIYHBOVSA-N 1 0 344.409 2.750 50 0 EFAARO CC(C)Cc1noc(CN(C)C(=O)c2ccccc2[C@H]2CC[NH2+]C2)n1 ZINC000072171295 216062067 /nfs/dbraw/zinc/06/20/67/216062067.db2.gz LATKNTOBZCWSQA-AWEZNQCLSA-N 1 0 342.443 2.617 50 0 EFAARO Cc1cc(C)c(C[NH+]2CC(c3cccnc3)C2)cc1Cn1cncn1 ZINC000072171181 216062722 /nfs/dbraw/zinc/06/27/22/216062722.db2.gz XWTRSNCNNNCNEH-UHFFFAOYSA-N 1 0 333.439 2.938 50 0 EFAARO Cc1nccn1CCC[NH+]1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000072171521 216062736 /nfs/dbraw/zinc/06/27/36/216062736.db2.gz YIZDCQHMYQOGAL-UHFFFAOYSA-N 1 0 338.455 2.592 50 0 EFAARO CN(C[C@@H]1CCCCO1)C(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072168020 216058831 /nfs/dbraw/zinc/05/88/31/216058831.db2.gz NLCVZJSPZIFOHF-IBGZPJMESA-N 1 0 330.472 2.870 50 0 EFAARO O=C(CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCc2sccc2C1 ZINC000072272752 216095449 /nfs/dbraw/zinc/09/54/49/216095449.db2.gz BSGBJKUTWXQXQM-AWEZNQCLSA-N 1 0 344.484 2.626 50 0 EFAARO Cc1cccnc1[C@H](C)Nc1nc(CC2CC2)nc2c1CC[NH2+]CC2 ZINC000072408058 216199642 /nfs/dbraw/zinc/19/96/42/216199642.db2.gz UZCCAXFGYHCJNR-AWEZNQCLSA-N 1 0 337.471 2.994 50 0 EFAARO COCCC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 ZINC000072411971 216204022 /nfs/dbraw/zinc/20/40/22/216204022.db2.gz WRSXAYOUKIERMU-DOTOQJQBSA-N 1 0 336.501 2.640 50 0 EFAARO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 ZINC000072412419 216204921 /nfs/dbraw/zinc/20/49/21/216204921.db2.gz ORWAGOGGOKXJCR-KSRMRMEDSA-N 1 0 342.483 2.785 50 0 EFAARO CCc1nc2c(c(N[C@H](c3cc(C)ccn3)C3CC3)n1)CC[NH2+]CC2 ZINC000072418927 216207765 /nfs/dbraw/zinc/20/77/65/216207765.db2.gz YYRGZYGKXWXUKK-IBGZPJMESA-N 1 0 337.471 2.994 50 0 EFAARO CC(C)=CCC[N@@H+]1CCC[C@H](c2cc(N3CCOCC3)ncn2)C1 ZINC000072423792 216213093 /nfs/dbraw/zinc/21/30/93/216213093.db2.gz RROANYZDYGAOAA-KRWDZBQOSA-N 1 0 330.476 2.849 50 0 EFAARO Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000072423119 216212084 /nfs/dbraw/zinc/21/20/84/216212084.db2.gz ZYURDVMULDXNIH-INIZCTEOSA-N 1 0 331.508 2.923 50 0 EFAARO COCCC[N@H+](Cc1ccc2c(c1)C[C@H](C)O2)C1CCN(C)CC1 ZINC000072425069 216214258 /nfs/dbraw/zinc/21/42/58/216214258.db2.gz ZHUZQJWNKNQUST-INIZCTEOSA-N 1 0 332.488 2.943 50 0 EFAARO C[C@H](C1CCN(C(=O)CCc2ccccc2F)CC1)[NH+]1CCOCC1 ZINC000072428052 216219724 /nfs/dbraw/zinc/21/97/24/216219724.db2.gz FOLLQZGQOQAGMD-MRXNPFEDSA-N 1 0 348.462 2.718 50 0 EFAARO Fc1cccc(Cl)c1Cn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072430311 216222186 /nfs/dbraw/zinc/22/21/86/216222186.db2.gz CFKIJLPJWAVYFH-UHFFFAOYSA-N 1 0 331.782 2.691 50 0 EFAARO Cc1nc([C@H]2CCC[N@H+](CCc3cn[nH]c3)C2)cc(N2CCCC2)n1 ZINC000072439443 216233353 /nfs/dbraw/zinc/23/33/53/216233353.db2.gz KUSXSAIREMTAIJ-KRWDZBQOSA-N 1 0 340.475 2.530 50 0 EFAARO C[NH+](C)CC[C@H]1CCCCN1Cc1cnc(-c2ccccn2)nc1 ZINC000072434449 216229774 /nfs/dbraw/zinc/22/97/74/216229774.db2.gz ZWLGBUXEOOKWCQ-QGZVFWFLSA-N 1 0 325.460 2.845 50 0 EFAARO CC(C)([NH3+])CN1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072434784 216230047 /nfs/dbraw/zinc/23/00/47/216230047.db2.gz GQOFUGSMANFROV-HXUWFJFHSA-N 1 0 329.488 2.629 50 0 EFAARO C[NH+](C)CCNc1ccc(-c2nc(COc3ccccc3)no2)cn1 ZINC000072436240 216230525 /nfs/dbraw/zinc/23/05/25/216230525.db2.gz OBNUGOWKZOHMNN-UHFFFAOYSA-N 1 0 339.399 2.684 50 0 EFAARO CC(=O)c1ccc(N2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)nc1 ZINC000072454375 216241380 /nfs/dbraw/zinc/24/13/80/216241380.db2.gz JIQDTTUQFMVPAZ-LJQANCHMSA-N 1 0 345.487 2.738 50 0 EFAARO C[C@H](c1ccc(F)cc1)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072467819 216247810 /nfs/dbraw/zinc/24/78/10/216247810.db2.gz WFHKWHPUZJWQCM-CYBMUJFWSA-N 1 0 325.391 2.988 50 0 EFAARO O=C1CC[C@H]2C[N@H+](Cc3cccs3)CC[C@H]2N1CCc1c[nH]cn1 ZINC000072468784 216249305 /nfs/dbraw/zinc/24/93/05/216249305.db2.gz YAVMXJRFVMVOKY-WMLDXEAASA-N 1 0 344.484 2.527 50 0 EFAARO CN(C)Cc1nnc([C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)n1C ZINC000072476803 216254627 /nfs/dbraw/zinc/25/46/27/216254627.db2.gz DEOCCPJITDPDGU-HNNXBMFYSA-N 1 0 347.894 2.910 50 0 EFAARO CC(C)(O)CCc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000072478352 216257467 /nfs/dbraw/zinc/25/74/67/216257467.db2.gz VVBNGHMHPIXCFC-SFHVURJKSA-N 1 0 330.472 2.700 50 0 EFAARO CCc1cc(N2CCN(c3cc[nH+]cc3)CC2)n2nc(C)c(C)c2n1 ZINC000072479031 216258141 /nfs/dbraw/zinc/25/81/41/216258141.db2.gz JCINDECBOOZBMR-UHFFFAOYSA-N 1 0 336.443 2.630 50 0 EFAARO CN1C[C@@]2(CCC[N@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)OC1=O ZINC000072480024 216259931 /nfs/dbraw/zinc/25/99/31/216259931.db2.gz DQCBHRBMLGGGSN-HXUWFJFHSA-N 1 0 346.471 2.807 50 0 EFAARO CCCc1cc(C(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)ccn1 ZINC000072481391 216261979 /nfs/dbraw/zinc/26/19/79/216261979.db2.gz OLEAVYAZLBGJOJ-MRXNPFEDSA-N 1 0 345.487 2.607 50 0 EFAARO Nc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC3(C=Cc4ccccc43)CC2)n1 ZINC000252527549 283691767 /nfs/dbraw/zinc/69/17/67/283691767.db2.gz CVWLPJWISKMYNU-IYBDPMFKSA-N 1 0 347.466 2.829 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000073202092 216363064 /nfs/dbraw/zinc/36/30/64/216363064.db2.gz CGMDZRLWGKHLAT-MRXNPFEDSA-N 1 0 331.504 2.920 50 0 EFAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(Cn3cc(CCO)nn3)CC1)=CC2 ZINC000023542600 212382038 /nfs/dbraw/zinc/38/20/38/212382038.db2.gz GENAQQIQTDACHP-HKUYNNGSSA-N 1 0 344.503 2.517 50 0 EFAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C(C)C)CN1Cc1ccc(Cl)cc1 ZINC000023363051 212371022 /nfs/dbraw/zinc/37/10/22/212371022.db2.gz YXGYZDOZNDXXCN-SJORKVTESA-N 1 0 337.895 2.806 50 0 EFAARO CCOC(=O)N1CCC([N@@H+]2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000023339053 212369382 /nfs/dbraw/zinc/36/93/82/212369382.db2.gz YKWUFGODQHCXJZ-GOSISDBHSA-N 1 0 332.444 2.551 50 0 EFAARO Cc1ccn2cc(C(=O)N(CC[NH+](C)C)Cc3ccccc3)nc2c1 ZINC000023170931 212356845 /nfs/dbraw/zinc/35/68/45/212356845.db2.gz AXYVZQLPEBDBKS-UHFFFAOYSA-N 1 0 336.439 2.847 50 0 EFAARO O=S(=O)(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000023127636 212352324 /nfs/dbraw/zinc/35/23/24/212352324.db2.gz FIAGFGLJSNHBKG-UHFFFAOYSA-N 1 0 344.480 2.877 50 0 EFAARO CCc1cc(OCCOCCN2CC[NH+](C)CC2)ccc1Cl ZINC000022937510 212338403 /nfs/dbraw/zinc/33/84/03/212338403.db2.gz GIKUURIKQTYOGN-UHFFFAOYSA-N 1 0 326.868 2.545 50 0 EFAARO CC(C)[N@@H+]1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@@H]1CCO ZINC000022918669 212335076 /nfs/dbraw/zinc/33/50/76/212335076.db2.gz QZVYNVCVELYHPT-SFHVURJKSA-N 1 0 334.508 2.734 50 0 EFAARO O=C(CCn1cc(Cl)cn1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000091486928 283802887 /nfs/dbraw/zinc/80/28/87/283802887.db2.gz IEYTXDYKUIITKA-INIZCTEOSA-N 1 0 338.883 2.794 50 0 EFAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022794905 212325685 /nfs/dbraw/zinc/32/56/85/212325685.db2.gz SGFLEQHZLBXDTD-HXUWFJFHSA-N 1 0 337.467 2.714 50 0 EFAARO COc1ccc(CCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000022766869 212321976 /nfs/dbraw/zinc/32/19/76/212321976.db2.gz CBWRXQJCKMCOTM-QGZVFWFLSA-N 1 0 347.484 2.901 50 0 EFAARO COc1ccc(CCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000022766872 212322058 /nfs/dbraw/zinc/32/20/58/212322058.db2.gz CBWRXQJCKMCOTM-KRWDZBQOSA-N 1 0 347.484 2.901 50 0 EFAARO C[NH+]1CCN([C@H](CNC(=O)c2ccccc2)c2ccc(F)cc2)CC1 ZINC000022579429 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Cc1nccc(C2CCN(C(=O)CC[C@@H](C)[NH+]3CCCC3)CC2)n1 ZINC000221295993 241463383 /nfs/dbraw/zinc/46/33/83/241463383.db2.gz BJEMSLUZYPIXGW-OAHLLOKOSA-N 1 0 330.476 2.756 50 0 EFAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)N1CCSCC1 ZINC000426471579 283969141 /nfs/dbraw/zinc/96/91/41/283969141.db2.gz ODLTVPDXCWDIMA-KRWDZBQOSA-N 1 0 333.501 2.972 50 0 EFAARO Cc1cc(C)n([C@@H](C)c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)n1 ZINC000020993194 212195099 /nfs/dbraw/zinc/19/50/99/212195099.db2.gz KQZXMWIPUCOXTH-ZDUSSCGKSA-N 1 0 338.415 2.508 50 0 EFAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000020915856 212186273 /nfs/dbraw/zinc/18/62/73/212186273.db2.gz KLQREMJKXZBERW-HXUWFJFHSA-N 1 0 329.488 2.594 50 0 EFAARO Cc1nc2c(c(C)n1)C[C@H](C[N@@H+](C)Cc1ccc3nsnc3c1)O2 ZINC000244707999 243062938 /nfs/dbraw/zinc/06/29/38/243062938.db2.gz KLRIYGRBIDLXOR-CYBMUJFWSA-N 1 0 341.440 2.534 50 0 EFAARO O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000244719076 243065781 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COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N(C)Cc2sccc2C)n1 ZINC000244773685 243075185 /nfs/dbraw/zinc/07/51/85/243075185.db2.gz PEPJZUNYGNJJAG-JOCQHMNTSA-N 1 0 332.473 2.834 50 0 EFAARO COc1cccc(OC)c1C[NH2+][C@H]1COc2c(cccc2OC)C1 ZINC000020783141 212172056 /nfs/dbraw/zinc/17/20/56/212172056.db2.gz PLPODZUQLQLRJT-CQSZACIVSA-N 1 0 329.396 2.806 50 0 EFAARO CCC[NH+]1CCN(Cc2nc(Cc3ccccc3Cl)no2)CC1 ZINC000020780718 212171127 /nfs/dbraw/zinc/17/11/27/212171127.db2.gz HRESVRRSUYDHCO-UHFFFAOYSA-N 1 0 334.851 2.841 50 0 EFAARO O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)NC1CCN(c2ccc(F)cc2)CC1 ZINC000244816804 243086077 /nfs/dbraw/zinc/08/60/77/243086077.db2.gz SORARWMWCTWEBT-BEFAXECRSA-N 1 0 345.462 2.785 50 0 EFAARO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000244873590 243090668 /nfs/dbraw/zinc/09/06/68/243090668.db2.gz WSOPNPRAOFHVLW-QGZVFWFLSA-N 1 0 341.386 2.700 50 0 EFAARO CC(C)c1nc(CNc2cc([C@H]3C[C@H]([NH3+])C3)nc(C3CC3)n2)no1 ZINC000244874187 243091940 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Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020725260 212165803 /nfs/dbraw/zinc/16/58/03/212165803.db2.gz SACOYVNTMBSOAG-LJQANCHMSA-N 1 0 344.430 2.696 50 0 EFAARO CN(Cc1noc(C2CC2)n1)C(=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020602249 212152947 /nfs/dbraw/zinc/15/29/47/212152947.db2.gz PCMCAWSGJUIGMP-NSHDSACASA-N 1 0 332.429 2.705 50 0 EFAARO Fc1ccc(-c2cn(CC3CC[NH+](C[C@@H]4CCOC4)CC3)nn2)cc1 ZINC000020600882 212151524 /nfs/dbraw/zinc/15/15/24/212151524.db2.gz QUFIYIQKVRYQAE-INIZCTEOSA-N 1 0 344.434 2.833 50 0 EFAARO CCOC(=O)N1CCC([N@@H+]2CCO[C@@H](CCc3ccccc3)C2)CC1 ZINC000020599640 212151541 /nfs/dbraw/zinc/15/15/41/212151541.db2.gz JHIBNPHNDWLDBX-IBGZPJMESA-N 1 0 346.471 2.941 50 0 EFAARO CCOC(=O)N1CCC([N@@H+]2CCO[C@H](CCc3ccccc3)C2)CC1 ZINC000020599641 212150930 /nfs/dbraw/zinc/15/09/30/212150930.db2.gz JHIBNPHNDWLDBX-LJQANCHMSA-N 1 0 346.471 2.941 50 0 EFAARO c1c(Cc2ccccc2)nnn1C1CC[NH+](C2CCOCC2)CC1 ZINC000020599805 212150882 /nfs/dbraw/zinc/15/08/82/212150882.db2.gz YWLKPDHBNNZZAM-UHFFFAOYSA-N 1 0 326.444 2.685 50 0 EFAARO C[C@@H](O)C[NH2+]CCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000020550778 212147081 /nfs/dbraw/zinc/14/70/81/212147081.db2.gz BQRRJXZYYJRQLV-OAHLLOKOSA-N 1 0 348.874 2.979 50 0 EFAARO COc1cc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc(OC)c1 ZINC000020540684 212145874 /nfs/dbraw/zinc/14/58/74/212145874.db2.gz FJLOIPXGXVXKIV-SFHVURJKSA-N 1 0 348.487 2.515 50 0 EFAARO COc1ccc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)cc1 ZINC000020539676 212145743 /nfs/dbraw/zinc/14/57/43/212145743.db2.gz YMPFUCNEVJDGQR-KRWDZBQOSA-N 1 0 346.496 2.826 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2ccccc2OC(F)F)C[C@@H]1CCO ZINC000020541154 212145616 /nfs/dbraw/zinc/14/56/16/212145616.db2.gz NVZJAJCACTYXSE-INIZCTEOSA-N 1 0 342.430 2.813 50 0 EFAARO COc1ccc(CN2CC[N@@H+](C3CCCC3)C[C@@H]2CCO)c(F)c1 ZINC000020540836 212145445 /nfs/dbraw/zinc/14/54/45/212145445.db2.gz LRBPAQBGPXZEQC-KRWDZBQOSA-N 1 0 336.451 2.646 50 0 EFAARO CCOc1c(C[NH2+]CCCN2CCOCC2)cc(Cl)cc1OC ZINC000020477821 212135927 /nfs/dbraw/zinc/13/59/27/212135927.db2.gz KYUPECHRABUZJN-UHFFFAOYSA-N 1 0 342.867 2.559 50 0 EFAARO Cc1c[nH]c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(C)c1=O ZINC000253537384 244017515 /nfs/dbraw/zinc/01/75/15/244017515.db2.gz TZHABTPLZBFWFP-HNNXBMFYSA-N 1 0 337.427 2.826 50 0 EFAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccc(CO)o2)C1 ZINC000020451744 212130865 /nfs/dbraw/zinc/13/08/65/212130865.db2.gz BYVKLVMFOKJPPU-SFHVURJKSA-N 1 0 328.456 2.911 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2ccc(O)c(Cl)c2)C[C@@H]1CCO ZINC000020272015 212115640 /nfs/dbraw/zinc/11/56/40/212115640.db2.gz BRRSCNLIZHLHKT-HNNXBMFYSA-N 1 0 326.868 2.570 50 0 EFAARO OCC[C@@H]1CN(Cc2ccc3nsnc3c2)CC[N@@H+]1C1CCCC1 ZINC000020271875 212115695 /nfs/dbraw/zinc/11/56/95/212115695.db2.gz PSTIOJFSAOTWCU-MRXNPFEDSA-N 1 0 346.500 2.503 50 0 EFAARO C[C@H](CN1CC[NH+](C)CC1)OC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000020266655 212115400 /nfs/dbraw/zinc/11/54/00/212115400.db2.gz CYCJMQNRQUSPAW-MRXNPFEDSA-N 1 0 348.487 2.542 50 0 EFAARO CC(=O)c1cc(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)cs1 ZINC000020236060 212113709 /nfs/dbraw/zinc/11/37/09/212113709.db2.gz IBUQYQIFGUTBPN-KRWDZBQOSA-N 1 0 338.517 2.865 50 0 EFAARO OCC1CC[NH+]([C@H]2CCCN(Cc3cccc4cnccc43)C2)CC1 ZINC000020235259 212113498 /nfs/dbraw/zinc/11/34/98/212113498.db2.gz JHYHCIXQBKLUTK-FQEVSTJZSA-N 1 0 339.483 2.904 50 0 EFAARO CCOC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020167638 212108100 /nfs/dbraw/zinc/10/81/00/212108100.db2.gz DBIXUWDQGMCMPB-UHFFFAOYSA-N 1 0 338.451 2.957 50 0 EFAARO Cc1sc(NC(=O)c2ccco2)c(CN2CC[NH+](C)CC2)c1C ZINC000020192519 212109608 /nfs/dbraw/zinc/10/96/08/212109608.db2.gz UOCAVTUUOSFWKW-UHFFFAOYSA-N 1 0 333.457 2.958 50 0 EFAARO C[NH+]1CCN(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000019910730 212082728 /nfs/dbraw/zinc/08/27/28/212082728.db2.gz XWLONQUXBRAMCS-UHFFFAOYSA-N 1 0 349.784 2.935 50 0 EFAARO COc1cccc(OC[C@H](O)C[NH2+][C@@H](C)CC(C)(C)SC)c1 ZINC000019884549 212080073 /nfs/dbraw/zinc/08/00/73/212080073.db2.gz VCGPUPUUSGONAO-UONOGXRCSA-N 1 0 327.490 2.945 50 0 EFAARO Fc1ccccc1COc1ccccc1C[NH2+]CCN1CCOCC1 ZINC000019872027 212077446 /nfs/dbraw/zinc/07/74/46/212077446.db2.gz SVSSWYKMXKBUFC-UHFFFAOYSA-N 1 0 344.430 2.827 50 0 EFAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000019872106 212077596 /nfs/dbraw/zinc/07/75/96/212077596.db2.gz BGXAAVCLMBIUIZ-ORAYPTAESA-N 1 0 331.412 2.924 50 0 EFAARO CCOc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCC ZINC000019872033 212077728 /nfs/dbraw/zinc/07/77/28/212077728.db2.gz ALURIORCXYGRTO-UHFFFAOYSA-N 1 0 342.867 2.559 50 0 EFAARO CNc1nc(C)c(-c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)s1 ZINC000019835504 212074417 /nfs/dbraw/zinc/07/44/17/212074417.db2.gz QQLVRMMWMGUMKJ-UHFFFAOYSA-N 1 0 342.428 2.559 50 0 EFAARO O=c1ccnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000019793436 212068622 /nfs/dbraw/zinc/06/86/22/212068622.db2.gz MNDVABUGRYCXQG-UHFFFAOYSA-N 1 0 346.434 2.682 50 0 EFAARO c1c(Cc2ccccc2)nnn1CC1CC[NH+](C2CCOCC2)CC1 ZINC000019782379 212066346 /nfs/dbraw/zinc/06/63/46/212066346.db2.gz JBCJSRKIFRQCPX-UHFFFAOYSA-N 1 0 340.471 2.760 50 0 EFAARO c1cnn(-c2ccc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)cc2)c1 ZINC000077522135 216928304 /nfs/dbraw/zinc/92/83/04/216928304.db2.gz KMDGYZVWTOOHJS-QGZVFWFLSA-N 1 0 327.428 2.690 50 0 EFAARO OCC[C@H]1CN(Cc2c[nH]c3ccccc23)CC[N@@H+]1C1CCCC1 ZINC000019720354 212056575 /nfs/dbraw/zinc/05/65/75/212056575.db2.gz AOIPMBKFTKSURJ-SFHVURJKSA-N 1 0 327.472 2.979 50 0 EFAARO OCC[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000019641035 212052414 /nfs/dbraw/zinc/05/24/14/212052414.db2.gz QYGCDGCMPMNRFW-HXUWFJFHSA-N 1 0 328.431 2.895 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]CC3CCCCC3)C2=O)cc1 ZINC000019533483 212039894 /nfs/dbraw/zinc/03/98/94/212039894.db2.gz UBMIZDUKPSXLTR-KRWDZBQOSA-N 1 0 330.428 2.887 50 0 EFAARO COc1cc(CN2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1O ZINC000019536559 212039180 /nfs/dbraw/zinc/03/91/80/212039180.db2.gz CMUDRWBAQXYXMH-UHFFFAOYSA-N 1 0 342.439 2.727 50 0 biogenic EFAARO COc1cccc2c1OC[C@H]([NH2+]Cc1cnn(-c3ccccc3)c1)C2 ZINC000019225847 212007121 /nfs/dbraw/zinc/00/71/21/212007121.db2.gz IRAKVNUBHAJDDW-QGZVFWFLSA-N 1 0 335.407 2.974 50 0 EFAARO OCC[C@H]1CN(Cc2ccc(O)c(Cl)c2)CC[N@@H+]1C1CCCC1 ZINC000019227446 212007012 /nfs/dbraw/zinc/00/70/12/212007012.db2.gz LBOCSTCSTSXLEW-INIZCTEOSA-N 1 0 338.879 2.857 50 0 EFAARO CCCn1ncc(C[NH2+][C@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1C ZINC000015071801 211796765 /nfs/dbraw/zinc/79/67/65/211796765.db2.gz KUVIGYRRBXSXLN-SFHVURJKSA-N 1 0 344.434 2.631 50 0 EFAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH2+]C(C)C)CC2 ZINC000014755209 211762816 /nfs/dbraw/zinc/76/28/16/211762816.db2.gz XQWVKBNSTNQPLC-HNNXBMFYSA-N 1 0 332.492 2.678 50 0 EFAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CC1CC1)C2 ZINC000014746047 211760538 /nfs/dbraw/zinc/76/05/38/211760538.db2.gz DFBWVSZIKLDTAE-INIZCTEOSA-N 1 0 344.503 2.632 50 0 EFAARO CC(C)C[NH2+][C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000014538662 211742349 /nfs/dbraw/zinc/74/23/49/211742349.db2.gz XROXEOOKKUPJOV-CYBMUJFWSA-N 1 0 346.500 2.515 50 0 EFAARO COCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000426471289 247283093 /nfs/dbraw/zinc/28/30/93/247283093.db2.gz BCNIAPHKKMBJFA-FQEVSTJZSA-N 1 0 330.472 2.580 50 0 EFAARO [NH3+]Cc1nnc(SCc2nccn2C2CC2)n1Cc1ccccc1 ZINC000426474232 247285781 /nfs/dbraw/zinc/28/57/81/247285781.db2.gz JLVGYDQWCJBWFC-UHFFFAOYSA-N 1 0 340.456 2.609 50 0 EFAARO CN(CC[C@@H](O)c1ccccc1)C(=O)NCC(C)(C)[NH+]1CCCC1 ZINC000426475314 247286034 /nfs/dbraw/zinc/28/60/34/247286034.db2.gz BIDVXWZQOLXBCL-QGZVFWFLSA-N 1 0 333.476 2.626 50 0 EFAARO O=C(NCC[C@H]1CCCC[N@@H+]1C1CCCC1)c1cccn2cnnc12 ZINC000426477890 247286116 /nfs/dbraw/zinc/28/61/16/247286116.db2.gz JPSZURHDINLBMT-MRXNPFEDSA-N 1 0 341.459 2.646 50 0 EFAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)N1CC(c2ccccn2)C1 ZINC000426507864 247289694 /nfs/dbraw/zinc/28/96/94/247289694.db2.gz LGKNYYHOVYSLTL-UHFFFAOYSA-N 1 0 345.830 2.702 50 0 EFAARO CN(CCn1ccnc1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000426360002 247266898 /nfs/dbraw/zinc/26/68/98/247266898.db2.gz ARJUJWRCCRYVSL-UHFFFAOYSA-N 1 0 347.507 2.713 50 0 EFAARO O=C(NCCCc1ccc(O)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000265444338 247508236 /nfs/dbraw/zinc/50/82/36/247508236.db2.gz LSFANMOKLUBEGI-KRWDZBQOSA-N 1 0 331.460 2.595 50 0 EFAARO Cc1c2ccc(C)c(C)c2oc1C(=O)NCC[N@@H+]1CCC[C@H](O)C1 ZINC000012373149 211359132 /nfs/dbraw/zinc/35/91/32/211359132.db2.gz APXZOCUGSISNJL-HNNXBMFYSA-N 1 0 330.428 2.545 50 0 EFAARO COc1ccc(OC)c(COC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000012420204 211374782 /nfs/dbraw/zinc/37/47/82/211374782.db2.gz WSYOLZVNRJITHS-YQQAZPJKSA-N 1 0 337.460 2.844 50 0 EFAARO COc1ccc(OC)c(COC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000012420206 211374657 /nfs/dbraw/zinc/37/46/57/211374657.db2.gz WSYOLZVNRJITHS-UXLLHSPISA-N 1 0 337.460 2.844 50 0 EFAARO CC(C)[NH+]1CCC(NC(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000012382523 211363381 /nfs/dbraw/zinc/36/33/81/211363381.db2.gz DAEASWSDKPYQJA-UHFFFAOYSA-N 1 0 336.304 2.985 50 0 EFAARO CSC[C@H](C)[N@@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000012300265 211336770 /nfs/dbraw/zinc/33/67/70/211336770.db2.gz OIZGBLGBANPPHS-NSHDSACASA-N 1 0 331.441 2.915 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)c1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000012196105 211317961 /nfs/dbraw/zinc/31/79/61/211317961.db2.gz GZEMIGFDEUKUOO-OAHLLOKOSA-N 1 0 330.359 2.587 50 0 EFAARO CCc1nc(C)c(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC000012091858 211289668 /nfs/dbraw/zinc/28/96/68/211289668.db2.gz XCACROKVGRJFIS-KRWDZBQOSA-N 1 0 341.455 2.982 50 0 EFAARO CO[C@@H]1CCCN(C(=O)C2([NH+]3CCCCC3)Cc3ccccc3C2)C1 ZINC000012093792 211289354 /nfs/dbraw/zinc/28/93/54/211289354.db2.gz FZIUQULYGWOWIF-LJQANCHMSA-N 1 0 342.483 2.647 50 0 EFAARO Cc1ccnc(N2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000012074915 211286109 /nfs/dbraw/zinc/28/61/09/211286109.db2.gz HWKMNAWWFUZYID-LJQANCHMSA-N 1 0 337.471 2.919 50 0 EFAARO CN(c1ncccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000012058397 211285196 /nfs/dbraw/zinc/28/51/96/211285196.db2.gz FWJGBBIUZITDFN-SFHVURJKSA-N 1 0 344.503 2.951 50 0 EFAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2cnccn2)C1 ZINC000012001550 211278020 /nfs/dbraw/zinc/27/80/20/211278020.db2.gz OYNKTBNTKSKQNX-LJQANCHMSA-N 1 0 338.455 2.532 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1cc(C(F)(F)F)ccn1)C2 ZINC000091390780 217999999 /nfs/dbraw/zinc/99/99/99/217999999.db2.gz PYMGECXSGARCFU-TZMCWYRMSA-N 1 0 329.366 2.647 50 0 EFAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000091411869 218002390 /nfs/dbraw/zinc/00/23/90/218002390.db2.gz SPVARHQPOAIAKF-QGZVFWFLSA-N 1 0 348.512 2.680 50 0 EFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)C2CCC2)C3)cc1 ZINC000091440078 218006167 /nfs/dbraw/zinc/00/61/67/218006167.db2.gz GIBSONKAPAPSCN-FUHWJXTLSA-N 1 0 328.456 2.918 50 0 EFAARO O=C1CCC2(CC[NH2+]CC2)CN1C[C@@H](O)c1ccc2ccccc2c1 ZINC000091451909 218007963 /nfs/dbraw/zinc/00/79/63/218007963.db2.gz CWVUJQIKABNHCV-LJQANCHMSA-N 1 0 338.451 2.865 50 0 EFAARO Cc1c(F)cccc1C[NH+]1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091452284 218009217 /nfs/dbraw/zinc/00/92/17/218009217.db2.gz PJPBWTBOJVIZFP-UHFFFAOYSA-N 1 0 348.462 2.721 50 0 EFAARO COc1ccc(-c2cc(CNc3nc(N)[nH+]c(C)c3C)no2)cc1 ZINC000091475388 218012275 /nfs/dbraw/zinc/01/22/75/218012275.db2.gz HJRQYVRLEKYYDZ-UHFFFAOYSA-N 1 0 325.372 2.951 50 0 EFAARO OC[C@H]1CN(Cc2ccc3occc3c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091494485 218013763 /nfs/dbraw/zinc/01/37/63/218013763.db2.gz JRDZWKNLAPHYII-RTBURBONSA-N 1 0 328.456 2.959 50 0 EFAARO Cn1ccnc1C[N@@H+]1CC[C@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000011819119 211252109 /nfs/dbraw/zinc/25/21/09/211252109.db2.gz AEJWEMVNKHPZTJ-FQEVSTJZSA-N 1 0 344.503 2.815 50 0 EFAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000011874601 211262390 /nfs/dbraw/zinc/26/23/90/211262390.db2.gz RVGRPIVMHCXBFM-OAQYLSRUSA-N 1 0 344.499 2.969 50 0 EFAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C1 ZINC000091526184 218017194 /nfs/dbraw/zinc/01/71/94/218017194.db2.gz OOPGVUJMIVXPFG-GOSISDBHSA-N 1 0 348.462 2.575 50 0 EFAARO O=C1NCCC[C@@]12CC[N@@H+](Cc1cccc(C(F)(F)F)c1F)C2 ZINC000091526807 218018021 /nfs/dbraw/zinc/01/80/21/218018021.db2.gz YHXNHKMNULLZQT-HNNXBMFYSA-N 1 0 330.325 2.947 50 0 EFAARO O=C(c1ccon1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091547953 218020285 /nfs/dbraw/zinc/02/02/85/218020285.db2.gz VQQOGLZDFXHPRF-ZWKOTPCHSA-N 1 0 339.439 2.844 50 0 EFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000011853306 211259655 /nfs/dbraw/zinc/25/96/55/211259655.db2.gz VXHYRFPNSMBHSM-UHFFFAOYSA-N 1 0 341.430 2.768 50 0 EFAARO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000091551573 218021261 /nfs/dbraw/zinc/02/12/61/218021261.db2.gz ANVYTEIAFDOEPQ-MRXNPFEDSA-N 1 0 348.462 2.575 50 0 EFAARO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000091551571 218021307 /nfs/dbraw/zinc/02/13/07/218021307.db2.gz ANVYTEIAFDOEPQ-INIZCTEOSA-N 1 0 348.462 2.575 50 0 EFAARO COc1cccc(C[C@]2(CO)CCC[N@H+](CCCn3cccn3)C2)c1 ZINC000011839539 211254853 /nfs/dbraw/zinc/25/48/53/211254853.db2.gz RDIACIQRSKGRAP-HXUWFJFHSA-N 1 0 343.471 2.599 50 0 EFAARO CC(C)=CCC/C(C)=C/CN1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091594850 218028194 /nfs/dbraw/zinc/02/81/94/218028194.db2.gz ZSHVUOMWGFHBRB-KYSILRCISA-N 1 0 333.520 2.965 50 0 EFAARO C[N@H+](C[C@]1(O)CCCN(Cc2ccccc2F)C1=O)C1CCCCC1 ZINC000011840054 211254588 /nfs/dbraw/zinc/25/45/88/211254588.db2.gz ZDZRWTNTATURDC-HXUWFJFHSA-N 1 0 348.462 2.944 50 0 EFAARO Cn1cc(C[N@H+](C)C[C@H]2COCCO2)c(-c2cccc(Cl)c2)n1 ZINC000011841449 211253741 /nfs/dbraw/zinc/25/37/41/211253741.db2.gz FMAWQIKCFCGZKC-INIZCTEOSA-N 1 0 335.835 2.588 50 0 EFAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000091694684 218048937 /nfs/dbraw/zinc/04/89/37/218048937.db2.gz UKYZFLGBZHSGAF-UHFFFAOYSA-N 1 0 328.464 2.665 50 0 EFAARO COCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091706692 218051541 /nfs/dbraw/zinc/05/15/41/218051541.db2.gz VDKIKLKOSJFSCD-RBUKOAKNSA-N 1 0 330.472 2.579 50 0 EFAARO C[C@@H]1C[N@H+](Cc2cccc(OCCCn3ccnc3)c2)CC[C@]1(C)O ZINC000091625975 218034808 /nfs/dbraw/zinc/03/48/08/218034808.db2.gz XEXXRFWFDUXVNR-XLIONFOSSA-N 1 0 343.471 2.945 50 0 EFAARO COCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000011767550 211246366 /nfs/dbraw/zinc/24/63/66/211246366.db2.gz GMSIASVVOJYAJU-OAQYLSRUSA-N 1 0 344.499 2.970 50 0 EFAARO CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011762268 211245533 /nfs/dbraw/zinc/24/55/33/211245533.db2.gz MFXGAUGCXVGWQV-IBGZPJMESA-N 1 0 343.515 2.841 50 0 EFAARO CC[C@H]1CN(C(=O)Cc2c(C)nc3ccccn32)CC[N@@H+]1C(C)C ZINC000091657377 218042079 /nfs/dbraw/zinc/04/20/79/218042079.db2.gz PFWAZSZDIZRROD-INIZCTEOSA-N 1 0 328.460 2.516 50 0 EFAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cn(C)nc3C)C2)c1 ZINC000011754202 211242741 /nfs/dbraw/zinc/24/27/41/211242741.db2.gz PQVUDMYXCPQPER-MRXNPFEDSA-N 1 0 327.428 2.832 50 0 EFAARO Cc1ccc(CCn2ccnc2-c2cn(C3CC[NH2+]CC3)nn2)s1 ZINC000091807205 218068956 /nfs/dbraw/zinc/06/89/56/218068956.db2.gz IAHGQUSWXJCOLU-UHFFFAOYSA-N 1 0 342.472 2.679 50 0 EFAARO Cc1cc(C)c2[nH]c(C[N@H+](C)CCN3CCCCC3=O)cc(=O)c2c1 ZINC000091818412 218071118 /nfs/dbraw/zinc/07/11/18/218071118.db2.gz PKMFQUZUHMPHJD-UHFFFAOYSA-N 1 0 341.455 2.589 50 0 EFAARO CCCc1nc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cs1 ZINC000091713569 218053717 /nfs/dbraw/zinc/05/37/17/218053717.db2.gz QXDCMNWKLFZXDA-UHFFFAOYSA-N 1 0 339.530 2.749 50 0 EFAARO CC[N@H+](C)C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1CO ZINC000091738203 218056094 /nfs/dbraw/zinc/05/60/94/218056094.db2.gz WPVRPRQFFUQTRP-HUUCEWRRSA-N 1 0 330.394 2.697 50 0 EFAARO O=C(CCN1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1)Nc1cccnc1 ZINC000091737726 218056116 /nfs/dbraw/zinc/05/61/16/218056116.db2.gz LKWKQXVOCYGTGN-PKOBYXMFSA-N 1 0 342.487 2.607 50 0 EFAARO Cc1nc2c(ncnc2N2CCC([N@@H+]3CCc4ccccc4C3)CC2)o1 ZINC000091745302 218056761 /nfs/dbraw/zinc/05/67/61/218056761.db2.gz WLHBZAOEVMRVCU-UHFFFAOYSA-N 1 0 349.438 2.953 50 0 EFAARO Cc1ccsc1C(=O)N1CCC(c2nccn2CC[NH+](C)C)CC1 ZINC000091757687 218060237 /nfs/dbraw/zinc/06/02/37/218060237.db2.gz WQDMXYIGFFMNPO-UHFFFAOYSA-N 1 0 346.500 2.834 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)cc1O ZINC000011661885 211230179 /nfs/dbraw/zinc/23/01/79/211230179.db2.gz APIJGNNOCOSFBA-CQSZACIVSA-N 1 0 332.444 2.672 50 0 EFAARO CN1CCC[C@@]2(CC[N@H+](CCCCOCc3ccccc3)C2)C1=O ZINC000091769813 218062842 /nfs/dbraw/zinc/06/28/42/218062842.db2.gz YBQDFPDGDWXOEI-FQEVSTJZSA-N 1 0 330.472 2.928 50 0 EFAARO Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCCC[N@H+]3C)CC2)c1 ZINC000091871474 218081366 /nfs/dbraw/zinc/08/13/66/218081366.db2.gz RVEVPEZEGTXNPN-IBGZPJMESA-N 1 0 329.488 2.954 50 0 EFAARO Cc1nccn1CCC[NH+]1CCC2(CC(=O)N(CC(C)C)C2)CC1 ZINC000091876610 218081789 /nfs/dbraw/zinc/08/17/89/218081789.db2.gz ZFDQYMNUPLZVKA-UHFFFAOYSA-N 1 0 332.492 2.552 50 0 EFAARO O=C(C1CCC1)N1CCC([N@@H+]2CCC[C@@](CO)(CC3CC3)C2)CC1 ZINC000091985700 218098484 /nfs/dbraw/zinc/09/84/84/218098484.db2.gz QXJOBUUKNWEILD-HXUWFJFHSA-N 1 0 334.504 2.652 50 0 EFAARO CCn1nc(C(C)C)cc1C(=O)N[C@@H]1c2ccccc2C[C@H]1[NH+](C)C ZINC000092001504 218102030 /nfs/dbraw/zinc/10/20/30/218102030.db2.gz YZLRIHGQEPKLCL-IEBWSBKVSA-N 1 0 340.471 2.984 50 0 EFAARO O=C(c1ccc(CO)cc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000092081449 218117268 /nfs/dbraw/zinc/11/72/68/218117268.db2.gz ZQPQWXHRHZZAHB-IEBWSBKVSA-N 1 0 328.456 2.515 50 0 EFAARO CCCCOCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1c(C)noc1C)C2 ZINC000092038586 218109680 /nfs/dbraw/zinc/10/96/80/218109680.db2.gz IUOHBAFUPOAQNI-DLBZAZTESA-N 1 0 349.475 2.531 50 0 EFAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(Cc4ccccc4)nc3c12 ZINC000009184266 211047992 /nfs/dbraw/zinc/04/79/92/211047992.db2.gz WANRAMMJRLSCOK-UHFFFAOYSA-N 1 0 348.454 2.848 50 0 EFAARO Cc1nccn1Cc1nnc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1C ZINC000095352230 218286100 /nfs/dbraw/zinc/28/61/00/218286100.db2.gz UBTSSBNYFOISSO-MRXNPFEDSA-N 1 0 342.491 2.880 50 0 EFAARO Cc1nccn1Cc1nnc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1C ZINC000095352231 218286125 /nfs/dbraw/zinc/28/61/25/218286125.db2.gz UBTSSBNYFOISSO-INIZCTEOSA-N 1 0 342.491 2.880 50 0 EFAARO C[C@H](Nc1nc(N)[nH+]c2c1CCCC2)c1ccc2c(c1)OCCO2 ZINC000095355467 218289483 /nfs/dbraw/zinc/28/94/83/218289483.db2.gz CYCJRDDVWMDNGB-NSHDSACASA-N 1 0 326.400 2.882 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C/C=C/c1ccc(OC)cc1)C2 ZINC000095358956 218291251 /nfs/dbraw/zinc/29/12/51/218291251.db2.gz CYWGGUXCIUANKR-CZHQAMEJSA-N 1 0 330.472 2.751 50 0 EFAARO O=C(c1ccn(C(F)F)n1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000095358771 218291823 /nfs/dbraw/zinc/29/18/23/218291823.db2.gz OQIWPGSVXMLRHG-CYBMUJFWSA-N 1 0 326.391 2.759 50 0 EFAARO COc1cccc2ccc(C[NH+]3CCC4(CC3)OCCC[C@@H]4O)nc21 ZINC000095357723 218292319 /nfs/dbraw/zinc/29/23/19/218292319.db2.gz KJLLFGRCPARMLL-SFHVURJKSA-N 1 0 342.439 2.749 50 0 EFAARO CC(C)c1noc(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000095368312 218299856 /nfs/dbraw/zinc/29/98/56/218299856.db2.gz YCGCRWQQMQFVQB-CQSZACIVSA-N 1 0 334.464 2.506 50 0 EFAARO CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000095367278 218299942 /nfs/dbraw/zinc/29/99/42/218299942.db2.gz FRZQUVKWRDTGLP-SFHVURJKSA-N 1 0 340.471 2.764 50 0 EFAARO CC[NH+]1CCC(CC(=O)NCc2csc(CSC)n2)CC1 ZINC000095360997 218294175 /nfs/dbraw/zinc/29/41/75/218294175.db2.gz XFXBGANNZQMWQH-UHFFFAOYSA-N 1 0 327.519 2.744 50 0 EFAARO O=c1cc(C[NH2+]C[C@H](CO)Cc2ccsc2)[nH]c2ccc(F)cc12 ZINC000095361489 218294593 /nfs/dbraw/zinc/29/45/93/218294593.db2.gz IPKYJQPHFTVWOU-CYBMUJFWSA-N 1 0 346.427 2.670 50 0 EFAARO Cc1nnc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[nH]1 ZINC000095362172 218295972 /nfs/dbraw/zinc/29/59/72/218295972.db2.gz DRMPEWSIWXKWJJ-ZDUSSCGKSA-N 1 0 327.432 2.590 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCC(=O)N2CCCN(c3ccccc3)CC2)C1 ZINC000095374865 218307479 /nfs/dbraw/zinc/30/74/79/218307479.db2.gz DFBBXPBSQXNNDF-SFHVURJKSA-N 1 0 329.488 2.847 50 0 EFAARO C[N@@H+]1CCCCC[C@H]1C(=O)N(C/C=C/c1ccccc1)CCCO ZINC000095374916 218307663 /nfs/dbraw/zinc/30/76/63/218307663.db2.gz AHZSZNIZWSEOEE-BEBFYNPSSA-N 1 0 330.472 2.785 50 0 EFAARO CC[NH+]1CCC(CC(=O)NC2CCN(c3ccccc3)CC2)CC1 ZINC000095375410 218308301 /nfs/dbraw/zinc/30/83/01/218308301.db2.gz UCWXJSUGMIWMQA-UHFFFAOYSA-N 1 0 329.488 2.894 50 0 EFAARO O=C(NCCSc1ccccn1)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095370308 218303028 /nfs/dbraw/zinc/30/30/28/218303028.db2.gz MDPCDVAOEDDLIC-OAHLLOKOSA-N 1 0 333.501 2.945 50 0 EFAARO COCCCN1CC2(CC1=O)CC[NH+](Cc1ccc(F)c(C)c1)CC2 ZINC000095373825 218306091 /nfs/dbraw/zinc/30/60/91/218306091.db2.gz PLRVFGIDJSMFIU-UHFFFAOYSA-N 1 0 348.462 2.985 50 0 EFAARO CCC[NH+]1CCC(Cc2noc(CCc3c(C)nn(C)c3C)n2)CC1 ZINC000095374258 218306229 /nfs/dbraw/zinc/30/62/29/218306229.db2.gz AVMMJKLUSFUYPW-UHFFFAOYSA-N 1 0 345.491 2.870 50 0 EFAARO Cc1ccc(CSc2nc(N)cc(N3CCC[C@H]([NH3+])CC3)n2)cc1 ZINC000095377274 218310071 /nfs/dbraw/zinc/31/00/71/218310071.db2.gz QLKVVXVFVJWKMT-HNNXBMFYSA-N 1 0 343.500 2.977 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000095378300 218310793 /nfs/dbraw/zinc/31/07/93/218310793.db2.gz ZAFHQDDQTAXCLW-ZDUSSCGKSA-N 1 0 348.878 2.997 50 0 EFAARO Cc1n[nH]c(C)c1CCCNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095378393 218311529 /nfs/dbraw/zinc/31/15/29/218311529.db2.gz SFXDGXDQRCXDDK-GOSISDBHSA-N 1 0 340.471 2.856 50 0 EFAARO CCc1c(C)[nH+]c(N)nc1N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095381436 218313400 /nfs/dbraw/zinc/31/34/00/218313400.db2.gz PCYCMUPRAMDFSG-UHFFFAOYSA-N 1 0 345.878 2.905 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC(OCc2ccccc2F)C1 ZINC000095381067 218313653 /nfs/dbraw/zinc/31/36/53/218313653.db2.gz KHCMHUFQPOHVNG-INIZCTEOSA-N 1 0 334.435 2.818 50 0 EFAARO CC(C)c1cc(NC[C@@H]2CC(=O)N(c3ccccc3)C2)nc(N)[nH+]1 ZINC000095381977 218314672 /nfs/dbraw/zinc/31/46/72/218314672.db2.gz DANBUROVFZCEFE-ZDUSSCGKSA-N 1 0 325.416 2.647 50 0 EFAARO CC(C)[C@@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000095381951 218314771 /nfs/dbraw/zinc/31/47/71/218314771.db2.gz JGFHJADLLASYRL-XJKSGUPXSA-N 1 0 342.842 2.903 50 0 EFAARO Cc1cc(C(F)(F)F)nn1CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095376270 218309152 /nfs/dbraw/zinc/30/91/52/218309152.db2.gz MXIQKYUECZGJBB-CYBMUJFWSA-N 1 0 346.397 2.591 50 0 EFAARO Cc1nc(-c2ccc(CNC(=O)[C@H]3CCCCC[N@H+]3C)cc2)no1 ZINC000095390453 218321656 /nfs/dbraw/zinc/32/16/56/218321656.db2.gz WXXSLPXPOZSVQF-MRXNPFEDSA-N 1 0 328.416 2.536 50 0 EFAARO COc1cccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1O ZINC000095390789 218322323 /nfs/dbraw/zinc/32/23/23/218322323.db2.gz KUIXJGQSSVHABY-HZPDHXFCSA-N 1 0 344.455 2.737 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N[C@H](C)c2nncn2C2CCCC2)CC1 ZINC000095390917 218322545 /nfs/dbraw/zinc/32/25/45/218322545.db2.gz SKKWWJMGOSZKLY-CQSZACIVSA-N 1 0 333.480 2.691 50 0 EFAARO Cc1cc(C(F)(F)F)nc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000095391080 218322654 /nfs/dbraw/zinc/32/26/54/218322654.db2.gz PKOXGIJNYJKRQL-LBPRGKRZSA-N 1 0 344.381 2.685 50 0 EFAARO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000095391649 218323018 /nfs/dbraw/zinc/32/30/18/218323018.db2.gz DKJJWBZYBTWNCM-CMDLKFMISA-N 1 0 331.435 2.917 50 0 EFAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)NCCc1nccs1 ZINC000095384588 218317082 /nfs/dbraw/zinc/31/70/82/218317082.db2.gz GMUMMXCYLMRFJD-UHFFFAOYSA-N 1 0 329.469 2.681 50 0 EFAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000095386641 218317626 /nfs/dbraw/zinc/31/76/26/218317626.db2.gz IZLSHFKUZYAETQ-KBPBESRZSA-N 1 0 331.243 2.751 50 0 EFAARO O=C1C[C@H]([NH2+]C23CC4CC(CC(C4)C2)C3)C(=O)N1Cc1ccccc1 ZINC000019868223 296347397 /nfs/dbraw/zinc/34/73/97/296347397.db2.gz AOWIGSJRJXBRAZ-QQABJKMWSA-N 1 0 338.451 2.873 50 0 EFAARO CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC[NH+]1CCCC1 ZINC000005024982 210365013 /nfs/dbraw/zinc/36/50/13/210365013.db2.gz XZNLLFCAGGTDCJ-UHFFFAOYSA-N 1 0 329.400 2.769 50 0 EFAARO [NH3+][C@@H](Cc1c[nH]cn1)c1nc(C2CCOCC2)nn1C1CCCCC1 ZINC000097294831 219010195 /nfs/dbraw/zinc/01/01/95/219010195.db2.gz ZSKVSZKVVSFCFI-INIZCTEOSA-N 1 0 344.463 2.643 50 0 EFAARO C[C@@H](NC(=O)C1CC[NH+](C2CCCC2)CC1)[C@@H](O)c1ccc(O)cc1 ZINC000097307785 219010559 /nfs/dbraw/zinc/01/05/59/219010559.db2.gz YZBWQMHTXNZIIN-AUUYWEPGSA-N 1 0 346.471 2.585 50 0 EFAARO O[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000097334289 219013052 /nfs/dbraw/zinc/01/30/52/219013052.db2.gz RBRWHOIBIRVSEA-VXKWHMMOSA-N 1 0 336.479 2.959 50 0 EFAARO CC[C@@H](CO)[NH2+]Cc1ccccc1OCC(=O)Nc1ccc(C)cc1 ZINC000004868113 210308926 /nfs/dbraw/zinc/30/89/26/210308926.db2.gz YACANVFQRQJQLZ-KRWDZBQOSA-N 1 0 342.439 2.873 50 0 EFAARO CCn1cc(NC(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)cn1 ZINC000097436944 219024952 /nfs/dbraw/zinc/02/49/52/219024952.db2.gz CCBRFNSRMMDPGZ-INIZCTEOSA-N 1 0 341.459 2.822 50 0 EFAARO CCOc1cc(C[NH2+]CCO)c(Br)cc1OC(C)C ZINC000004840339 210295292 /nfs/dbraw/zinc/29/52/92/210295292.db2.gz OLDAKRZNHOQOIZ-UHFFFAOYSA-N 1 0 332.238 2.717 50 0 EFAARO CC1(C)C[C@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)CCO1 ZINC000097394047 219021497 /nfs/dbraw/zinc/02/14/97/219021497.db2.gz HWDDWQAHBDLHDS-OAHLLOKOSA-N 1 0 336.501 2.988 50 0 EFAARO CC1(C)C[C@@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)CCO1 ZINC000097394049 219021903 /nfs/dbraw/zinc/02/19/03/219021903.db2.gz HWDDWQAHBDLHDS-HNNXBMFYSA-N 1 0 336.501 2.988 50 0 EFAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(CO)n3C)C2)s1 ZINC000097492559 219029654 /nfs/dbraw/zinc/02/96/54/219029654.db2.gz LFAWBSDTDWXLHZ-CQSZACIVSA-N 1 0 348.516 2.947 50 0 EFAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(c3nnc(CO)n3C)CC2)o1 ZINC000097515089 219032144 /nfs/dbraw/zinc/03/21/44/219032144.db2.gz GXJFBJGVCOWQNG-ZDUSSCGKSA-N 1 0 332.448 2.582 50 0 EFAARO Cc1[nH]nc(C2CC2)c1C(=O)NCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000097522022 219032305 /nfs/dbraw/zinc/03/23/05/219032305.db2.gz AQSIHJJQJGRXOL-KRWDZBQOSA-N 1 0 338.455 2.815 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CC[C@@H](n3nc(C)cc3C)C1)OCO2 ZINC000097528886 219033875 /nfs/dbraw/zinc/03/38/75/219033875.db2.gz UDOHTCWCJFYPLI-OAHLLOKOSA-N 1 0 329.400 2.684 50 0 EFAARO c1ccc(C[NH+]2CCC(Cc3nnc([C@@H]4CCOC4)[nH]3)CC2)cc1 ZINC000097547879 219034275 /nfs/dbraw/zinc/03/42/75/219034275.db2.gz HIMHCJCWMMDVCZ-QGZVFWFLSA-N 1 0 326.444 2.763 50 0 EFAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000097604119 219039617 /nfs/dbraw/zinc/03/96/17/219039617.db2.gz KCRTUARQXMTBCI-CQSZACIVSA-N 1 0 342.468 2.902 50 0 EFAARO COc1cc(CN2CCC([NH+]3CCCC3)CC2)cc(OC)c1OC ZINC000004745756 210269021 /nfs/dbraw/zinc/26/90/21/210269021.db2.gz PMLFZOLDPVOCIM-UHFFFAOYSA-N 1 0 334.460 2.773 50 0 EFAARO c1cnc2ccc(CN3CCCO[C@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000097553291 219035572 /nfs/dbraw/zinc/03/55/72/219035572.db2.gz GSUWBRIWRNOSFX-LJQANCHMSA-N 1 0 325.456 2.922 50 0 EFAARO CC(C)=CCN1CCc2nc[nH]c2C12CC[NH+](C[C@H]1CCOC1)CC2 ZINC000097578879 219036001 /nfs/dbraw/zinc/03/60/01/219036001.db2.gz PNBVVVDBFYLCID-QGZVFWFLSA-N 1 0 344.503 2.562 50 0 EFAARO Cc1ccsc1[C@@H](CNC(=O)c1cc(C(F)(F)F)n[nH]1)[NH+](C)C ZINC000097575035 219036131 /nfs/dbraw/zinc/03/61/31/219036131.db2.gz WDZZLWZFISGVRT-SNVBAGLBSA-N 1 0 346.378 2.831 50 0 EFAARO Cc1ccc(C(C)(C)NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000426667673 257959107 /nfs/dbraw/zinc/95/91/07/257959107.db2.gz VXGLSDXITKVNLK-GOSISDBHSA-N 1 0 347.503 2.982 50 0 EFAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)NCc2ncc[nH]2)cc1 ZINC000426668406 257959342 /nfs/dbraw/zinc/95/93/42/257959342.db2.gz QMECOTCQEWCNAV-QGZVFWFLSA-N 1 0 341.459 2.908 50 0 EFAARO CC(C)CCc1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]n1 ZINC000334160883 258016447 /nfs/dbraw/zinc/01/64/47/258016447.db2.gz ODADKPKOSPDBQD-QAPCUYQASA-N 1 0 332.492 2.993 50 0 EFAARO O=C(c1ccc2c(c1)CCCO2)N1CC[NH+](C2CCSCC2)CC1 ZINC000299771161 258083545 /nfs/dbraw/zinc/08/35/45/258083545.db2.gz UFPXQBMNURSBAB-UHFFFAOYSA-N 1 0 346.496 2.665 50 0 EFAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccn2)N1CCc1ccccc1F ZINC000299779264 258089104 /nfs/dbraw/zinc/08/91/04/258089104.db2.gz SXSPVARFWLXOQK-SFHVURJKSA-N 1 0 341.430 2.934 50 0 EFAARO Cc1cnn(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)c1 ZINC000299781621 258090245 /nfs/dbraw/zinc/09/02/45/258090245.db2.gz DXBAGTSGIMGULX-LJQANCHMSA-N 1 0 340.471 2.925 50 0 EFAARO [NH3+]CC[C@H]1CN(C(=O)c2cccc(-c3ccc(Cl)cn3)c2)CCO1 ZINC000299783411 258091430 /nfs/dbraw/zinc/09/14/30/258091430.db2.gz ZDCCZHOHCXQQJB-INIZCTEOSA-N 1 0 345.830 2.592 50 0 EFAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)Nc1ccc(-c2ccco2)cc1 ZINC000299784481 258091960 /nfs/dbraw/zinc/09/19/60/258091960.db2.gz OOPXEVDIMZWTBV-QGZVFWFLSA-N 1 0 343.427 2.915 50 0 EFAARO CCn1cc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000299785059 258092604 /nfs/dbraw/zinc/09/26/04/258092604.db2.gz ZCFRELLYGCHOIY-QGZVFWFLSA-N 1 0 341.459 2.855 50 0 EFAARO O=C([C@H](O)c1ccccc1F)N1CCC([NH+]2CCCCCC2)CC1 ZINC000299786252 258092832 /nfs/dbraw/zinc/09/28/32/258092832.db2.gz PUCWRGFXLVEAJJ-GOSISDBHSA-N 1 0 334.435 2.726 50 0 EFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3c(F)cccc3F)cc2C1 ZINC000299785912 258093220 /nfs/dbraw/zinc/09/32/20/258093220.db2.gz OQDPEXWMWKETLK-UHFFFAOYSA-N 1 0 348.397 2.707 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cc4ccc(C)cc4[nH]c3=O)[C@H]1C[C@@H](O)CC2 ZINC000299789420 258095472 /nfs/dbraw/zinc/09/54/72/258095472.db2.gz ZXJZBTDVFJLVNN-XKGZKEIXSA-N 1 0 342.439 2.753 50 0 EFAARO CCc1noc(-c2cccc(NC(=O)NCC[C@H]3CCC[N@@H+]3C)c2)n1 ZINC000299791845 258097228 /nfs/dbraw/zinc/09/72/28/258097228.db2.gz DGDKYTQBIIHDTL-OAHLLOKOSA-N 1 0 343.431 2.905 50 0 EFAARO Cc1cccnc1[C@@H](NC(=O)c1ccc(OCCC[NH3+])cc1)C1CC1 ZINC000299793042 258097726 /nfs/dbraw/zinc/09/77/26/258097726.db2.gz IXWMDLBQMJPGSC-IBGZPJMESA-N 1 0 339.439 2.999 50 0 EFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3sc(C)nc3C)cc2C1 ZINC000299792999 258097857 /nfs/dbraw/zinc/09/78/57/258097857.db2.gz IGHIFDPLXDCZEY-UHFFFAOYSA-N 1 0 347.488 2.502 50 0 EFAARO Cc1cccc2cc(C(=O)N3CCOC[C@@H](C[NH+](C)C)C3)c(C)nc12 ZINC000299792550 258097908 /nfs/dbraw/zinc/09/79/08/258097908.db2.gz GIRDIJBPNAHMAI-INIZCTEOSA-N 1 0 341.455 2.502 50 0 EFAARO COc1cccc(C(=O)N[C@H](C)c2ccsc2)c1OCCC[NH3+] ZINC000299792840 258098100 /nfs/dbraw/zinc/09/81/00/258098100.db2.gz FXACJLWHQRFOHQ-GFCCVEGCSA-N 1 0 334.441 2.975 50 0 EFAARO Cc1cc2cccc(NC(=O)N3C[C@H](O)[C@@H]([NH+]4CCCCC4)C3)c2o1 ZINC000299794446 258098965 /nfs/dbraw/zinc/09/89/65/258098965.db2.gz KFPVMAMZHVJINM-IRXDYDNUSA-N 1 0 343.427 2.804 50 0 EFAARO Cc1ccsc1-c1cccc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000299796612 258100806 /nfs/dbraw/zinc/10/08/06/258100806.db2.gz OBYWDWCVUFYUKS-LJQANCHMSA-N 1 0 344.480 2.862 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCc2nc(C3CCCCC3)no2)C1 ZINC000299802074 258104775 /nfs/dbraw/zinc/10/47/75/258104775.db2.gz WNYIIDQHTDKTNZ-AWEZNQCLSA-N 1 0 334.464 2.856 50 0 EFAARO CCn1cc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c(C)n1 ZINC000299801785 258104789 /nfs/dbraw/zinc/10/47/89/258104789.db2.gz XTAZCFJHXLPHDX-KRWDZBQOSA-N 1 0 329.448 2.944 50 0 EFAARO Cc1ccc(CN(C)Cc2nnc(SCC[NH+]3CCCC3)n2C)o1 ZINC000299801736 258105009 /nfs/dbraw/zinc/10/50/09/258105009.db2.gz XMRKTWYFOQJQOB-UHFFFAOYSA-N 1 0 349.504 2.536 50 0 EFAARO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc3ncccc3c2)C[C@H](C)O1 ZINC000299802551 258105342 /nfs/dbraw/zinc/10/53/42/258105342.db2.gz ZGSCVKSFYQRHHP-GASCZTMLSA-N 1 0 342.443 2.856 50 0 EFAARO Cc1nnc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)s1 ZINC000299802795 258105569 /nfs/dbraw/zinc/10/55/69/258105569.db2.gz PYUQTPHDNNKSCL-KRWDZBQOSA-N 1 0 328.485 2.522 50 0 EFAARO Cc1nnc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)s1 ZINC000299802796 258105724 /nfs/dbraw/zinc/10/57/24/258105724.db2.gz PYUQTPHDNNKSCL-QGZVFWFLSA-N 1 0 328.485 2.522 50 0 EFAARO CCc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2C=CC[NH2+]2)c1 ZINC000055061021 258061185 /nfs/dbraw/zinc/06/11/85/258061185.db2.gz INIRSAHJAVPRQO-SFHVURJKSA-N 1 0 335.407 2.968 50 0 EFAARO CN(CC[NH+](C)C)c1ccc(-c2nc(-c3ccccc3F)no2)cn1 ZINC000072470775 258065111 /nfs/dbraw/zinc/06/51/11/258065111.db2.gz ROPKVPKZRXENFQ-UHFFFAOYSA-N 1 0 341.390 2.936 50 0 EFAARO CN(Cc1sc2ccccc2c1Cl)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000299757517 258075301 /nfs/dbraw/zinc/07/53/01/258075301.db2.gz IQIIIKFCMWPLSO-LLVKDONJSA-N 1 0 338.860 2.892 50 0 EFAARO CO[C@]12CC[N@H+](Cc3ccccc3Cl)[C@H]1C[C@H](OCCO)CC2 ZINC000299759575 258076591 /nfs/dbraw/zinc/07/65/91/258076591.db2.gz USKBLEZDOVDZLK-BPQIPLTHSA-N 1 0 339.863 2.861 50 0 EFAARO O=c1cc([C@@H]2CCC[N@H+](Cc3cncn3Cc3ccccc3)C2)nc[nH]1 ZINC000299759821 258077572 /nfs/dbraw/zinc/07/75/72/258077572.db2.gz NHMXWDPTOKYKTI-QGZVFWFLSA-N 1 0 349.438 2.807 50 0 EFAARO COc1ccc(C)c(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000299767965 258081933 /nfs/dbraw/zinc/08/19/33/258081933.db2.gz GVZJBIZEPKRLJC-KRWDZBQOSA-N 1 0 347.459 2.769 50 0 EFAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(N)c1 ZINC000055561924 132196105 /nfs/dbraw/zinc/19/61/05/132196105.db2.gz RITRCMIWRZBDID-UHFFFAOYSA-N 1 0 339.439 2.768 50 0 EFAARO O=C(NC1CC1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000058980017 132804588 /nfs/dbraw/zinc/80/45/88/132804588.db2.gz NPRBDEYOXGUCAQ-UHFFFAOYSA-N 1 0 335.451 2.901 50 0 EFAARO COCCCN1C[C@]2(CCCN(c3cc[nH+]cc3C)C2)CCC1=O ZINC000072427905 292354936 /nfs/dbraw/zinc/35/49/36/292354936.db2.gz RUEJJBAAIFIFGU-LJQANCHMSA-N 1 0 331.460 2.636 50 0 EFAARO COCCC[C@@H]1CCCCN1c1nc(CC[NH3+])nc2ccccc21 ZINC000065417695 292379113 /nfs/dbraw/zinc/37/91/13/292379113.db2.gz GDGLOSMYPKQRHC-HNNXBMFYSA-N 1 0 328.460 2.917 50 0 EFAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000067840504 292443548 /nfs/dbraw/zinc/44/35/48/292443548.db2.gz LBZTZAIAKFOFDD-OAHLLOKOSA-N 1 0 325.412 2.716 50 0 EFAARO Cc1ccc(C2=CC(c3ccccc3)=[NH+]C(=C(C#N)C(N)=O)N2)cc1 ZINC000002865167 544419944 /nfs/dbraw/zinc/41/99/44/544419944.db2.gz DFBXVPIXOUOSBR-SILNSSARSA-N 1 0 328.375 2.649 50 0 EFAARO CCn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)c1C ZINC000015076383 544427651 /nfs/dbraw/zinc/42/76/51/544427651.db2.gz NWSMERCEHOSFJE-FQEVSTJZSA-N 1 0 344.503 2.744 50 0 EFAARO O=C(C[N@@H+](CCO)C1CCCCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000023114754 544430979 /nfs/dbraw/zinc/43/09/79/544430979.db2.gz RHEAJPVCKUDLKA-UHFFFAOYSA-N 1 0 334.504 2.698 50 0 EFAARO COC(=O)c1cc(C[NH3+])cc(NC(=O)/C=C/c2cccc(F)c2)c1 ZINC000299755113 262540951 /nfs/dbraw/zinc/54/09/51/262540951.db2.gz CBEVBRKYGVBSON-AATRIKPKSA-N 1 0 328.343 2.723 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CN(C)C(=O)O3)CC1)CCC2 ZINC000072133236 274100767 /nfs/dbraw/zinc/10/07/67/274100767.db2.gz BALJCTWHXUXRLX-FQEVSTJZSA-N 1 0 344.455 2.991 50 0 EFAARO Cc1nn2c(nc(C)cc2N2CCCN(c3cc[nH+]cc3)CC2)c1C ZINC000072427793 274869855 /nfs/dbraw/zinc/86/98/55/274869855.db2.gz LCXJWBVBHXBGQQ-UHFFFAOYSA-N 1 0 336.443 2.766 50 0 EFAARO c1ccc2c(c1)CN(c1nc(-c3cccnc3)nc3c1CC[NH2+]C3)C2 ZINC000071416030 275070195 /nfs/dbraw/zinc/07/01/95/275070195.db2.gz LFJUKUFVSBWKBV-UHFFFAOYSA-N 1 0 329.407 2.705 50 0 EFAARO CC1(C)CC(Nc2ccc3nnc(C(F)(F)F)n3n2)CC(C)(C)[NH2+]1 ZINC000032104028 275809097 /nfs/dbraw/zinc/80/90/97/275809097.db2.gz ZLMRFHOUTWHVBE-UHFFFAOYSA-N 1 0 342.369 2.864 50 0 EFAARO C[C@@]1(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)CCCCO1 ZINC000077419943 278117454 /nfs/dbraw/zinc/11/74/54/278117454.db2.gz LCDBCXOGABYLLI-NRFANRHFSA-N 1 0 342.483 2.647 50 0 EFAARO CSCc1nc(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)cs1 ZINC000082108058 278140857 /nfs/dbraw/zinc/14/08/57/278140857.db2.gz BXFTXEDAZUNCOP-ZDUSSCGKSA-N 1 0 342.530 2.866 50 0 EFAARO [NH3+][C@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@@H]1c1ccccc1 ZINC000091693692 279691415 /nfs/dbraw/zinc/69/14/15/279691415.db2.gz XTWIRPWEQFJLKD-MSOLQXFVSA-N 1 0 332.407 2.644 50 0 EFAARO CC(C)c1ccc([C@@H]2NC(=[NH2+])Nc3nc(=O)c4ccccc4n32)cc1 ZINC000008913865 280621353 /nfs/dbraw/zinc/62/13/53/280621353.db2.gz KMJPPKARCCNADU-MRXNPFEDSA-N 1 0 333.395 2.616 50 0 EFAARO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC000067769461 281146843 /nfs/dbraw/zinc/14/68/43/281146843.db2.gz WIDNUWRABMXIRK-HNNXBMFYSA-N 1 0 332.469 2.519 50 0 EFAARO Cc1ccccc1-c1ccc(C[NH+]2CCC3(CC2)NCCNC3=O)cc1 ZINC000067833691 281327188 /nfs/dbraw/zinc/32/71/88/281327188.db2.gz DEUPHECTQYMWBW-UHFFFAOYSA-N 1 0 349.478 2.716 50 0 EFAARO C[NH+](C)CCCNC(=O)CCc1ncc(C(F)(F)F)cc1Cl ZINC000003105327 289115605 /nfs/dbraw/zinc/11/56/05/289115605.db2.gz LEZLQQSFTPGLDV-UHFFFAOYSA-N 1 0 337.773 2.754 50 0 EFAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)Cn2cccn2)cc1 ZINC000077489561 289224795 /nfs/dbraw/zinc/22/47/95/289224795.db2.gz UORNCMHMYNBHSF-SFHVURJKSA-N 1 0 326.444 2.699 50 0 EFAARO C[C@H](NC(=O)CCC[NH+]1CCCC1)c1ccccc1-n1cccn1 ZINC000219296619 289810360 /nfs/dbraw/zinc/81/03/60/289810360.db2.gz XRODVPVAFHNWES-INIZCTEOSA-N 1 0 326.444 2.926 50 0 EFAARO Cc1ccc([C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2[NH+](C)C)cc1 ZINC000095529498 301744196 /nfs/dbraw/zinc/74/41/96/301744196.db2.gz UVHRHLJBTXOCOH-VQTJNVASSA-N 1 0 337.467 2.879 50 0 EFAARO Cc1nc(-c2cnc(N)nc2-c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000096135875 302538697 /nfs/dbraw/zinc/53/86/97/302538697.db2.gz YGQZOJRHDCDMND-UHFFFAOYSA-N 1 0 349.442 2.559 50 0 EFAARO O=C(CCn1cnc2ccccc21)N1CCC[N@H+](CC2CCC2)CC1 ZINC000549729110 318181014 /nfs/dbraw/zinc/18/10/14/318181014.db2.gz HPYZKIITRGRUHS-UHFFFAOYSA-N 1 0 340.471 2.761 50 0 EFAARO Cc1nc(-c2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)n[nH]1 ZINC000566892540 319119343 /nfs/dbraw/zinc/11/93/43/319119343.db2.gz XKIPJQRFGFRVKZ-INIZCTEOSA-N 1 0 327.432 2.983 50 0 EFAARO Cc1sc2ncnc(N3CCC([NH2+]Cc4cc[nH]n4)CC3)c2c1C ZINC000095499988 473213512 /nfs/dbraw/zinc/21/35/12/473213512.db2.gz FWELZPUQQNTAOC-UHFFFAOYSA-N 1 0 342.472 2.790 50 0 EFAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)[C@H]2CCCCO2)CC1 ZINC000095500984 473215025 /nfs/dbraw/zinc/21/50/25/473215025.db2.gz WXVXGYXAQFTTAB-HXUWFJFHSA-N 1 0 344.499 2.969 50 0 EFAARO CCC[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000095504032 473215886 /nfs/dbraw/zinc/21/58/86/473215886.db2.gz YMDJABCRMGJWIC-SFHVURJKSA-N 1 0 344.503 2.632 50 0 EFAARO CCc1cnc(C)nc1N1CCC([NH2+]Cc2nc(C)cc(C)n2)CC1 ZINC000095508265 473216567 /nfs/dbraw/zinc/21/65/67/473216567.db2.gz CLLHGNLCBQOOGN-UHFFFAOYSA-N 1 0 340.475 2.513 50 0 EFAARO CCCCn1nc(CC2CC[NH+](C)CC2)nc1-c1cnc(C)cn1 ZINC000095510635 473216794 /nfs/dbraw/zinc/21/67/94/473216794.db2.gz MEHYAKHGAIAIBG-UHFFFAOYSA-N 1 0 328.464 2.728 50 0 EFAARO CC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)c1C ZINC000095518719 473218836 /nfs/dbraw/zinc/21/88/36/473218836.db2.gz QZPOFZSYEAZNDM-IAGOWNOFSA-N 1 0 343.471 2.781 50 0 EFAARO O=C(Nc1cccnc1F)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095519137 473218958 /nfs/dbraw/zinc/21/89/58/473218958.db2.gz VJCMAMJFJDRNFF-UHFFFAOYSA-N 1 0 340.402 2.538 50 0 EFAARO CC(C)[NH+]1CCC(CC(=O)N2CC(Oc3ccc(F)cc3)C2)CC1 ZINC000095527041 473220794 /nfs/dbraw/zinc/22/07/94/473220794.db2.gz TUXPUKFMCDFCBI-UHFFFAOYSA-N 1 0 334.435 2.926 50 0 EFAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](CCCO)CC2 ZINC000095523787 473220301 /nfs/dbraw/zinc/22/03/01/473220301.db2.gz CFPOIWPJDRTQSM-UHFFFAOYSA-N 1 0 336.863 2.537 50 0 EFAARO Cc1nc(CCNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)sc1Cl ZINC000095524489 473220350 /nfs/dbraw/zinc/22/03/50/473220350.db2.gz YDSQIDFXAQHMFX-LBPRGKRZSA-N 1 0 329.897 2.884 50 0 EFAARO Cc1ccc(C[NH+]2CCC(CN(C)C(=O)Cc3ccccn3)CC2)o1 ZINC000095529287 473221209 /nfs/dbraw/zinc/22/12/09/473221209.db2.gz LXDVYZVHOKXCGO-UHFFFAOYSA-N 1 0 341.455 2.896 50 0 EFAARO COCCCCN1CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095528315 473221289 /nfs/dbraw/zinc/22/12/89/473221289.db2.gz HYSVWEJZWHCSKM-GOSISDBHSA-N 1 0 332.488 2.672 50 0 EFAARO Cc1cc(N2CCC([N@H+](C)C[C@H]3CCOC3)CC2)nc(C(C)C)n1 ZINC000095531472 473222393 /nfs/dbraw/zinc/22/23/93/473222393.db2.gz NQWJYTXTPRVPPM-MRXNPFEDSA-N 1 0 332.492 2.846 50 0 EFAARO Fc1ccc(-c2nc(N3CC[NH2+]CC3)cc(C(F)(F)F)n2)cc1 ZINC000096026326 473257818 /nfs/dbraw/zinc/25/78/18/473257818.db2.gz WDDFGUPZMMLUAX-UHFFFAOYSA-N 1 0 326.297 2.711 50 0 EFAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)Cc3ccccc3)cc2C1 ZINC000082096582 473288131 /nfs/dbraw/zinc/28/81/31/473288131.db2.gz GKAXPVFVVILQNX-UHFFFAOYSA-N 1 0 340.471 2.604 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000082106893 473289445 /nfs/dbraw/zinc/28/94/45/473289445.db2.gz APPQMFLJGMFMEY-UHFFFAOYSA-N 1 0 327.432 2.520 50 0 EFAARO C[NH+](C)[C@H]1CCCCN(C(=O)Cc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000082125386 473292294 /nfs/dbraw/zinc/29/22/94/473292294.db2.gz SMSXGROPHPZWRX-ZDUSSCGKSA-N 1 0 334.851 2.702 50 0 EFAARO Nc1ccsc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000082120737 473292325 /nfs/dbraw/zinc/29/23/25/473292325.db2.gz CRFXBINVTPWCSH-UHFFFAOYSA-N 1 0 341.480 2.993 50 0 EFAARO C[NH+](C)Cc1csc(CN2CCN(c3ccccc3)C(=O)C2)c1 ZINC000082120537 473293254 /nfs/dbraw/zinc/29/32/54/473293254.db2.gz RZVFZYHFDNEZDX-UHFFFAOYSA-N 1 0 329.469 2.659 50 0 EFAARO Cc1cc(C(=O)NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)c(C)o1 ZINC000082135145 473293741 /nfs/dbraw/zinc/29/37/41/473293741.db2.gz SSWJYMBESUITQG-UHFFFAOYSA-N 1 0 344.459 2.885 50 0 EFAARO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(=O)c3cccc(F)c3[nH]2)C1 ZINC000082127405 473294172 /nfs/dbraw/zinc/29/41/72/473294172.db2.gz FPDLETHMXOIJLH-CYBMUJFWSA-N 1 0 340.402 2.780 50 0 EFAARO Cc1cc(C)n(CC2(C[NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)n1 ZINC000082137026 473294326 /nfs/dbraw/zinc/29/43/26/473294326.db2.gz VMBQTGKBRJPXQS-KRWDZBQOSA-N 1 0 333.476 2.598 50 0 EFAARO c1ccc(-c2nc(CC[NH2+][C@@H]3CCOC4(CCOCC4)C3)no2)cc1 ZINC000082138278 473295415 /nfs/dbraw/zinc/29/54/15/473295415.db2.gz QGXXGTWTRIJKCK-MRXNPFEDSA-N 1 0 343.427 2.597 50 0 EFAARO O=C(N[C@H]1CCC[N@H+](Cc2ccncc2)CC1)c1ncoc1C1CC1 ZINC000082156346 473297436 /nfs/dbraw/zinc/29/74/36/473297436.db2.gz QDZROZUBYFBQFA-INIZCTEOSA-N 1 0 340.427 2.732 50 0 EFAARO Cc1ccc(-c2noc(C3CC[NH+](Cc4ccco4)CC3)n2)nn1 ZINC000082160399 473298021 /nfs/dbraw/zinc/29/80/21/473298021.db2.gz FLGCCRRPMGCPKH-UHFFFAOYSA-N 1 0 325.372 2.808 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCc2nc(-c3ccc(Cl)cc3)nn2CCO)C1 ZINC000096139907 473312675 /nfs/dbraw/zinc/31/26/75/473312675.db2.gz IHZGRQTUGVCIGM-AWEZNQCLSA-N 1 0 348.878 2.865 50 0 EFAARO CCC(=O)Nc1cc(NC(=O)N(C)C2CC[NH+](C)CC2)ccc1OC ZINC000096149209 473314565 /nfs/dbraw/zinc/31/45/65/473314565.db2.gz IFNFLNXUSJWBAM-UHFFFAOYSA-N 1 0 348.447 2.602 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(c2nccc(-c3cccnc3)n2)CC1 ZINC000096148770 473315092 /nfs/dbraw/zinc/31/50/92/473315092.db2.gz MHOFEWKEEZBLMG-UHFFFAOYSA-N 1 0 346.438 2.959 50 0 EFAARO CNc1cc(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)ccn1 ZINC000096167163 473323139 /nfs/dbraw/zinc/32/31/39/473323139.db2.gz RMJQWMGNFAJUPW-UHFFFAOYSA-N 1 0 338.455 2.733 50 0 EFAARO COc1ccccc1N1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000000119858 471326145 /nfs/dbraw/zinc/32/61/45/471326145.db2.gz DYXAXBRYIKCNBP-UHFFFAOYSA-N 1 0 339.439 2.846 50 0 EFAARO COc1cccc(N2CC[NH+](C[C@@H](C)Nc3ccccn3)CC2)c1 ZINC000000163582 471329707 /nfs/dbraw/zinc/32/97/07/471329707.db2.gz CEZHZTKRMCCVSP-MRXNPFEDSA-N 1 0 326.444 2.713 50 0 EFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000000176572 471331202 /nfs/dbraw/zinc/33/12/02/471331202.db2.gz WNESZXKWXXPKIR-CYBMUJFWSA-N 1 0 338.835 2.944 50 0 EFAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccc3F)C2=O)cc1 ZINC000000183026 471331487 /nfs/dbraw/zinc/33/14/87/471331487.db2.gz ZPFXHYHCUBXULF-KRWDZBQOSA-N 1 0 326.371 2.598 50 0 EFAARO COc1ccc(Nc2nc(N3CC[NH2+]CC3)nc3ccccc32)cc1 ZINC000000199215 471333733 /nfs/dbraw/zinc/33/37/33/471333733.db2.gz BONCEQUGCMHICO-UHFFFAOYSA-N 1 0 335.411 2.792 50 0 EFAARO C[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)[NH+]1CCCCC1 ZINC000000209551 471336232 /nfs/dbraw/zinc/33/62/32/471336232.db2.gz PEQPXWXFRBSBCY-KRWDZBQOSA-N 1 0 330.472 2.725 50 0 EFAARO O=C([C@@H]1CCC[N@H+](Cc2ccncc2)C1)N1CCc2ccccc2C1 ZINC000000212886 471336286 /nfs/dbraw/zinc/33/62/86/471336286.db2.gz WFKHITGEJNDWAT-HXUWFJFHSA-N 1 0 335.451 2.879 50 0 EFAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000000214892 471336691 /nfs/dbraw/zinc/33/66/91/471336691.db2.gz SAVXZHIDUAACIM-HNNXBMFYSA-N 1 0 348.443 2.504 50 0 EFAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000000254763 471339704 /nfs/dbraw/zinc/33/97/04/471339704.db2.gz KJXSQUDNJGJYFJ-INIZCTEOSA-N 1 0 332.444 2.907 50 0 EFAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(F)c1 ZINC000000254470 471340447 /nfs/dbraw/zinc/34/04/47/471340447.db2.gz PSSKSEHVOYWYOW-UHFFFAOYSA-N 1 0 327.403 2.977 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccc3)C2=O)cc1 ZINC000000294752 471343407 /nfs/dbraw/zinc/34/34/07/471343407.db2.gz ZYJWUGQALZFVEX-SFHVURJKSA-N 1 0 338.407 2.550 50 0 EFAARO CC[NH+](CC)CCn1c2ccccc2n2c1nc(C)c2C(=O)OC ZINC000000305213 471344674 /nfs/dbraw/zinc/34/46/74/471344674.db2.gz HAZPCDUSAYTIAN-UHFFFAOYSA-N 1 0 328.416 2.726 50 0 EFAARO COc1cccc(C[NH+]2CCC(C(=O)NC(C)(C)C)CC2)c1OC ZINC000000299576 471345036 /nfs/dbraw/zinc/34/50/36/471345036.db2.gz DTHRTPNJCHLOME-UHFFFAOYSA-N 1 0 334.460 2.831 50 0 EFAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000000299595 471345056 /nfs/dbraw/zinc/34/50/56/471345056.db2.gz BCOGFPOEZFVACN-AWEZNQCLSA-N 1 0 334.460 2.831 50 0 EFAARO CN(C)C(=O)Oc1ccc(OCc2n(C)c3ccccc3[n+]2C)cc1 ZINC000000387384 471354083 /nfs/dbraw/zinc/35/40/83/471354083.db2.gz SUTXNTGHOGLOOX-UHFFFAOYSA-N 1 0 340.403 2.642 50 0 EFAARO CC(=O)OCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000000537345 471370002 /nfs/dbraw/zinc/37/00/02/471370002.db2.gz VTWLRDXOMZJVPM-UHFFFAOYSA-N 1 0 327.380 2.981 50 0 EFAARO CCc1ccc(C[NH+]2CCC(C(=O)N3CCN(CC)CC3)CC2)cc1 ZINC000000785827 471375910 /nfs/dbraw/zinc/37/59/10/471375910.db2.gz SPNPHUKSUZKSMO-UHFFFAOYSA-N 1 0 343.515 2.625 50 0 EFAARO Cn1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c2cc(F)ccc21 ZINC000001430327 471390558 /nfs/dbraw/zinc/39/05/58/471390558.db2.gz OSJNTIKTWWZWEU-MRXNPFEDSA-N 1 0 334.358 2.763 50 0 EFAARO CC(C)[NH+]1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000001460659 471392251 /nfs/dbraw/zinc/39/22/51/471392251.db2.gz IIDATNKKEYRWEY-UHFFFAOYSA-N 1 0 332.469 2.991 50 0 EFAARO C[NH+]1CCC(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)CC1 ZINC000002792367 471421049 /nfs/dbraw/zinc/42/10/49/471421049.db2.gz HYDIWHDVVCGYEL-UHFFFAOYSA-N 1 0 334.313 2.747 50 0 EFAARO CC[NH+](CC)C[C@H](C)NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 ZINC000002780776 471421457 /nfs/dbraw/zinc/42/14/57/471421457.db2.gz IDYWNHWQGPSBCW-NSHDSACASA-N 1 0 346.397 2.626 50 0 EFAARO CC[NH+](CC)CCNC(=S)Nc1cnn(Cc2ccccc2F)c1 ZINC000002802121 471422939 /nfs/dbraw/zinc/42/29/39/471422939.db2.gz UNQXOZKBOPFREQ-UHFFFAOYSA-N 1 0 349.479 2.699 50 0 EFAARO C[NH+](C)CCCNC(=O)C[C@@H](c1ccccc1)c1ccccc1O ZINC000002885064 471426892 /nfs/dbraw/zinc/42/68/92/471426892.db2.gz GDRYSJVBGVKDKN-SFHVURJKSA-N 1 0 326.440 2.982 50 0 EFAARO CCCCC(=O)Nc1cc(C(=O)OC)ccc1N1CC[NH+](CC)CC1 ZINC000004749074 471473946 /nfs/dbraw/zinc/47/39/46/471473946.db2.gz ZCRXZQSFSOKKMO-UHFFFAOYSA-N 1 0 347.459 2.744 50 0 EFAARO Cc1cc(C)n(-c2cc(N3CC[NH+](C)CC3)nc(-c3ccccc3)n2)n1 ZINC000005353479 471501061 /nfs/dbraw/zinc/50/10/61/471501061.db2.gz NWMVQDJYFYGSGL-UHFFFAOYSA-N 1 0 348.454 2.698 50 0 EFAARO COc1ccccc1-c1c(C)nn2c1nc(C)cc2NCC[NH+](C)C ZINC000005346336 471501618 /nfs/dbraw/zinc/50/16/18/471501618.db2.gz JKOGJMNRGCLSJK-UHFFFAOYSA-N 1 0 339.443 2.995 50 0 EFAARO Fc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000006745095 471565977 /nfs/dbraw/zinc/56/59/77/471565977.db2.gz HDQNKAKVGCUQAE-UHFFFAOYSA-N 1 0 329.404 2.683 50 0 EFAARO C[NH+](C)CCNC(=O)c1ccccc1-c1cc2ccccc2c(=O)o1 ZINC000006757117 471567197 /nfs/dbraw/zinc/56/71/97/471567197.db2.gz LNWHVQWEYRTBHH-UHFFFAOYSA-N 1 0 336.391 2.751 50 0 EFAARO Cn1nnnc1SCCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000007541455 471620644 /nfs/dbraw/zinc/62/06/44/471620644.db2.gz WLWCXGFLWHJBJI-UHFFFAOYSA-N 1 0 332.260 2.789 50 0 EFAARO O=S(=O)(NCCC[NH+]1CCCC1)c1cc(Cl)ccc1Cl ZINC000007728042 471632928 /nfs/dbraw/zinc/63/29/28/471632928.db2.gz VSXPDKXFTZKZIV-UHFFFAOYSA-N 1 0 337.272 2.758 50 0 EFAARO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000007728740 471633544 /nfs/dbraw/zinc/63/35/44/471633544.db2.gz PGQSIACPMBLJGG-UHFFFAOYSA-N 1 0 330.881 2.740 50 0 EFAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Br)c1OC ZINC000008469829 471689791 /nfs/dbraw/zinc/68/97/91/471689791.db2.gz OQYJACFNERQIFB-NSHDSACASA-N 1 0 330.222 2.735 50 0 EFAARO Cc1ccc2c(c1)cc(C[NH+]1CCN(c3ccccn3)CC1)c(=O)n2C ZINC000012217695 471769236 /nfs/dbraw/zinc/76/92/36/471769236.db2.gz XDPDCIYDLCUROD-UHFFFAOYSA-N 1 0 348.450 2.564 50 0 EFAARO C[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@H]1COCCO1 ZINC000012445387 471776400 /nfs/dbraw/zinc/77/64/00/471776400.db2.gz STGQDRDXMIJIFW-HNNXBMFYSA-N 1 0 327.384 2.670 50 0 EFAARO c1cnc(N2CCOCC2)c(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000012705165 471790947 /nfs/dbraw/zinc/79/09/47/471790947.db2.gz OAYFDKAKDYVUDB-UHFFFAOYSA-N 1 0 327.472 2.833 50 0 EFAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N(C)C(C)C)nc2)C1 ZINC000012717981 471791991 /nfs/dbraw/zinc/79/19/91/471791991.db2.gz IAINNDKNOVLGSP-MRXNPFEDSA-N 1 0 332.492 2.634 50 0 EFAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N(C)C(C)C)nc2)C1 ZINC000012717979 471792029 /nfs/dbraw/zinc/79/20/29/471792029.db2.gz IAINNDKNOVLGSP-INIZCTEOSA-N 1 0 332.492 2.634 50 0 EFAARO Cc1cc2c(cc1C)[n+](C[C@@H](O)COCc1ccccc1)cn2C ZINC000013154267 471819172 /nfs/dbraw/zinc/81/91/72/471819172.db2.gz PQUKQFYAORHKTG-GOSISDBHSA-N 1 0 325.432 2.660 50 0 EFAARO O=C(c1ccncc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013323326 471824617 /nfs/dbraw/zinc/82/46/17/471824617.db2.gz WJHWIMQPMGHHQR-UHFFFAOYSA-N 1 0 325.456 2.808 50 0 EFAARO CCCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)[N@@H+]2C ZINC000013447513 471829756 /nfs/dbraw/zinc/82/97/56/471829756.db2.gz VNLZTPINKMHMPX-VVLHAWIVSA-N 1 0 331.412 2.648 50 0 EFAARO CC[NH+](CC)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014543760 471873891 /nfs/dbraw/zinc/87/38/91/471873891.db2.gz DZKMRAWFLKAASM-INIZCTEOSA-N 1 0 346.519 2.974 50 0 EFAARO O=C1CC[C@@H](CC[NH2+]Cc2cccnc2)N1CCc1ccc(F)cc1 ZINC000014889071 471880829 /nfs/dbraw/zinc/88/08/29/471880829.db2.gz UCWYNHUUCATDOQ-IBGZPJMESA-N 1 0 341.430 2.934 50 0 EFAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCCSC)cc1 ZINC000014971993 471884807 /nfs/dbraw/zinc/88/48/07/471884807.db2.gz OAPMDDJTLFGFAF-INIZCTEOSA-N 1 0 336.501 2.919 50 0 EFAARO C[N@H+](C[C@]1(O)CCCN(CCc2ccccc2)C1=O)C1CCCCC1 ZINC000015066792 471888150 /nfs/dbraw/zinc/88/81/50/471888150.db2.gz IPQDPQAHXGLQMC-OAQYLSRUSA-N 1 0 344.499 2.847 50 0 EFAARO Cc1cc(C(=O)N2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)n(C)n1 ZINC000015076354 471888504 /nfs/dbraw/zinc/88/85/04/471888504.db2.gz PURVFHWXNLAEEE-KRWDZBQOSA-N 1 0 332.492 2.559 50 0 EFAARO CCN1C(=O)C[C@@H]([NH+]2CCC(CCc3ccc(F)cc3)CC2)C1=O ZINC000015080852 471889054 /nfs/dbraw/zinc/88/90/54/471889054.db2.gz NMVPYJZWUBFYER-QGZVFWFLSA-N 1 0 332.419 2.618 50 0 EFAARO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000015356890 471901509 /nfs/dbraw/zinc/90/15/09/471901509.db2.gz KDGVBCUKDIDRGP-MRXNPFEDSA-N 1 0 329.396 2.855 50 0 EFAARO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COCc1ccccc1 ZINC000015746007 471916025 /nfs/dbraw/zinc/91/60/25/471916025.db2.gz UKWATYGJMGOLCK-KRWDZBQOSA-N 1 0 325.432 2.606 50 0 EFAARO Cc1cc2c(cc1C)[n+](C[C@@H](O)COC[C@H]1CC=CCC1)cn2C ZINC000015745998 471916141 /nfs/dbraw/zinc/91/61/41/471916141.db2.gz HLYUHARIZFXDFI-ZWKOTPCHSA-N 1 0 329.464 2.816 50 0 EFAARO COc1ccc(OC[C@@H](O)C[n+]2cn(C)c3cc(C)c(C)cc32)cc1 ZINC000015746065 471916189 /nfs/dbraw/zinc/91/61/89/471916189.db2.gz UEXCPFTTYNJCTA-INIZCTEOSA-N 1 0 341.431 2.531 50 0 EFAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCCC2)o1 ZINC000015860229 471920057 /nfs/dbraw/zinc/92/00/57/471920057.db2.gz QPZNBTLOBBIZIE-QGZVFWFLSA-N 1 0 328.412 2.920 50 0 EFAARO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 ZINC000016599356 471942486 /nfs/dbraw/zinc/94/24/86/471942486.db2.gz OEUZFAISSDFJLG-INIZCTEOSA-N 1 0 336.391 2.826 50 0 EFAARO CCC[NH+]1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000016605635 471943872 /nfs/dbraw/zinc/94/38/72/471943872.db2.gz DMTJEJKVCXUCCU-UHFFFAOYSA-N 1 0 328.815 2.849 50 0 EFAARO C[C@@H]1C[N@@H+](C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000016624236 471944015 /nfs/dbraw/zinc/94/40/15/471944015.db2.gz FBOZRYQGULRQCH-UGNPJNSGSA-N 1 0 337.504 2.690 50 0 EFAARO CCCC12CN3CC(CCC)(C[NH+](C1)C31CCOC(C)(C)C1)C2O ZINC000019330143 471980121 /nfs/dbraw/zinc/98/01/21/471980121.db2.gz OGRKXJWOVJGOBB-UHFFFAOYSA-N 1 0 336.520 2.850 50 0 biogenic EFAARO CCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@H]3CC)C2=O)cc1 ZINC000033293646 471981583 /nfs/dbraw/zinc/98/15/83/471981583.db2.gz DEYMRGFPFBMRFM-RHSMWYFYSA-N 1 0 330.428 2.982 50 0 EFAARO CC1=[NH+]CCNC2=C1[C@@H](c1ccccn1)N(c1ccc(F)cc1)C2=O ZINC000019874928 471985576 /nfs/dbraw/zinc/98/55/76/471985576.db2.gz HVNDNIONERSBQF-GOSISDBHSA-N 1 0 336.370 2.627 50 0 EFAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000019862682 471986056 /nfs/dbraw/zinc/98/60/56/471986056.db2.gz UODDXFJPSXJTEP-FQEVSTJZSA-N 1 0 340.467 2.865 50 0 EFAARO COc1ccc([C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020218816 471987911 /nfs/dbraw/zinc/98/79/11/471987911.db2.gz WAXFAAZJWFAEEV-IBGZPJMESA-N 1 0 330.403 2.690 50 0 EFAARO CC(C)OC(=O)c1cccnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000020389116 471989069 /nfs/dbraw/zinc/98/90/69/471989069.db2.gz XVOLYLJIWQVSOX-UHFFFAOYSA-N 1 0 339.439 2.969 50 0 EFAARO Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000035107843 471994340 /nfs/dbraw/zinc/99/43/40/471994340.db2.gz WETNHZVOLPIATI-CRAIPNDOSA-N 1 0 339.487 2.699 50 0 biogenic EFAARO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000023230547 472028043 /nfs/dbraw/zinc/02/80/43/472028043.db2.gz NBGZKUGCLABWPY-IBGZPJMESA-N 1 0 326.440 2.557 50 0 EFAARO Cc1cc(N2CCC(Cn3cc(CO)nn3)CC2)c2ccccc2[nH+]1 ZINC000023429333 472032380 /nfs/dbraw/zinc/03/23/80/472032380.db2.gz IKDYMEWFHYMUAZ-UHFFFAOYSA-N 1 0 337.427 2.544 50 0 EFAARO Cc1cc(NCc2cccnc2N2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000067758561 472085304 /nfs/dbraw/zinc/08/53/04/472085304.db2.gz CMUFVDKCWCSLNL-UHFFFAOYSA-N 1 0 346.438 2.937 50 0 EFAARO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000026319721 472131494 /nfs/dbraw/zinc/13/14/94/472131494.db2.gz QPZIBFVUHZUXNZ-UHFFFAOYSA-N 1 0 348.443 2.769 50 0 EFAARO CCn1cc(NC(=O)N2CCC[N@H+](Cc3cccs3)CC2)cn1 ZINC000043644926 472250312 /nfs/dbraw/zinc/25/03/12/472250312.db2.gz LMMHSXRTAPHHRV-UHFFFAOYSA-N 1 0 333.461 2.704 50 0 EFAARO Cn1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000069454079 472347967 /nfs/dbraw/zinc/34/79/67/472347967.db2.gz PLHQDJNAVFKZIO-OALUTQOASA-N 1 0 338.455 2.689 50 0 EFAARO CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1O ZINC000044941185 472354922 /nfs/dbraw/zinc/35/49/22/472354922.db2.gz HTDXSIZCZUGTAG-RBUKOAKNSA-N 1 0 330.472 2.661 50 0 EFAARO Cc1nc(-c2cccnc2)sc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000031864701 472399852 /nfs/dbraw/zinc/39/98/52/472399852.db2.gz BUBINTFOVNKSCR-UHFFFAOYSA-N 1 0 330.457 2.680 50 0 EFAARO O=S(=O)(Cc1ccccc1)N1CC[NH+](C2CCCCCC2)CC1 ZINC000057242955 472404522 /nfs/dbraw/zinc/40/45/22/472404522.db2.gz ZXKVCAPFILJRAW-UHFFFAOYSA-N 1 0 336.501 2.857 50 0 EFAARO COc1cc(OC)cc(-c2noc(C[C@@H]([NH3+])c3ccccc3)n2)c1 ZINC000057354852 472418317 /nfs/dbraw/zinc/41/83/17/472418317.db2.gz VZAWRNPOEZGQHV-MRXNPFEDSA-N 1 0 325.368 2.996 50 0 EFAARO [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000032590462 472445624 /nfs/dbraw/zinc/44/56/24/472445624.db2.gz ZFVTVGXGIASKTE-SFHVURJKSA-N 1 0 349.519 2.535 50 0 EFAARO CCc1[nH]nc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)c1C ZINC000097155857 472465615 /nfs/dbraw/zinc/46/56/15/472465615.db2.gz DTHSNLWJSXYDEP-INIZCTEOSA-N 1 0 340.471 2.808 50 0 EFAARO Cc1nnc2n1C[C@H]([NH2+]Cc1ccccc1OCc1ccccn1)CC2 ZINC000097199464 472475040 /nfs/dbraw/zinc/47/50/40/472475040.db2.gz KLSMJAFPDDUHTL-QGZVFWFLSA-N 1 0 349.438 2.665 50 0 EFAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](CC1=Cc3cc(Cl)ccc3OC1)C2 ZINC000097743217 472507322 /nfs/dbraw/zinc/50/73/22/472507322.db2.gz WEWPODNQSZGIML-CJNGLKHVSA-N 1 0 332.831 2.716 50 0 EFAARO Cc1nc2cc(C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)ccc2s1 ZINC000097805485 472507723 /nfs/dbraw/zinc/50/77/23/472507723.db2.gz BFCCBGBHGDIVQU-OAHLLOKOSA-N 1 0 347.484 2.788 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N(CC)C[C@H](O)c2cccc(O)c2)CC1 ZINC000097805639 472507804 /nfs/dbraw/zinc/50/78/04/472507804.db2.gz DICFRMWZFHOFCI-IBGZPJMESA-N 1 0 348.487 2.786 50 0 EFAARO CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000077353945 472510329 /nfs/dbraw/zinc/51/03/29/472510329.db2.gz PPBQKGOTCZOROY-GOSISDBHSA-N 1 0 338.386 2.670 50 0 EFAARO CC[C@@H]1CN(C(=O)c2ccc(SCCO)cc2)CC[N@@H+]1C(C)C ZINC000077355485 472511351 /nfs/dbraw/zinc/51/13/51/472511351.db2.gz PQYUNHMSIHYKSH-MRXNPFEDSA-N 1 0 336.501 2.716 50 0 EFAARO Cc1ccnn1CC[N@@H+]1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077377260 472515474 /nfs/dbraw/zinc/51/54/74/472515474.db2.gz MYERKZMUABYWOJ-FQEVSTJZSA-N 1 0 344.503 2.839 50 0 EFAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Cn1cnc2ccccc21 ZINC000077376597 472515569 /nfs/dbraw/zinc/51/55/69/472515569.db2.gz SHOHHWDYXXXVEA-SFHVURJKSA-N 1 0 348.450 2.551 50 0 EFAARO CCCc1ccc(C[NH+]2CCC(c3nnc(CN(C)C)n3C)CC2)o1 ZINC000077378819 472516254 /nfs/dbraw/zinc/51/62/54/472516254.db2.gz YXEXUKWGFGGCCV-UHFFFAOYSA-N 1 0 345.491 2.802 50 0 EFAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1[nH]nc2ccc(OC)cc21 ZINC000077379876 472516902 /nfs/dbraw/zinc/51/69/02/472516902.db2.gz ZZFNHFASLYZFAO-ZDUSSCGKSA-N 1 0 331.416 2.879 50 0 EFAARO C[N@@H+]1CC[C@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)C[C@H]21 ZINC000077379010 472517151 /nfs/dbraw/zinc/51/71/51/472517151.db2.gz KVLQQYQUVJCJPT-GOEBONIOSA-N 1 0 327.453 2.510 50 0 EFAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc2c(c1)CCO2 ZINC000077385916 472518141 /nfs/dbraw/zinc/51/81/41/472518141.db2.gz RAOXHMOKESYHNF-IBGZPJMESA-N 1 0 336.435 2.750 50 0 EFAARO O=C(c1ccc2nonc2c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000077407022 472522361 /nfs/dbraw/zinc/52/23/61/472522361.db2.gz NXVPFIAVYYZMMX-UHFFFAOYSA-N 1 0 342.424 2.632 50 0 EFAARO Cn1ccc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000077407756 472522671 /nfs/dbraw/zinc/52/26/71/472522671.db2.gz XLKYXHPXWQVZLV-SFHVURJKSA-N 1 0 326.444 2.849 50 0 EFAARO O=C(NCc1ccc(F)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928905 472524770 /nfs/dbraw/zinc/52/47/70/472524770.db2.gz VLEZVJGTOOKXEH-UHFFFAOYSA-N 1 0 342.418 2.937 50 0 EFAARO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058251508 472526694 /nfs/dbraw/zinc/52/66/94/472526694.db2.gz RRWBZMNDJCFYKC-AWEZNQCLSA-N 1 0 344.434 2.775 50 0 EFAARO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058251512 472526775 /nfs/dbraw/zinc/52/67/75/472526775.db2.gz RRWBZMNDJCFYKC-CQSZACIVSA-N 1 0 344.434 2.775 50 0 EFAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000077438586 472527709 /nfs/dbraw/zinc/52/77/09/472527709.db2.gz RRLVDOVYJWMEIU-INIZCTEOSA-N 1 0 326.444 2.819 50 0 EFAARO OCCn1nccc1C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000058289740 472537373 /nfs/dbraw/zinc/53/73/73/472537373.db2.gz LYTLCHJBGBUDBD-UHFFFAOYSA-N 1 0 349.862 2.787 50 0 EFAARO C[C@H](C1CCN(Cc2c(F)cccc2F)CC1)[NH+]1CCN(C)CC1 ZINC000077489053 472537776 /nfs/dbraw/zinc/53/77/76/472537776.db2.gz SGWFWJHNEQFCCB-OAHLLOKOSA-N 1 0 337.458 2.813 50 0 EFAARO CC[N@@H+]1C[C@H](NC(=O)c2cc(C)nc3c(C)cc(C)cc23)[C@@H](OC)C1 ZINC000077503299 472541222 /nfs/dbraw/zinc/54/12/22/472541222.db2.gz MCQBOSJPASNQNZ-ROUUACIJSA-N 1 0 341.455 2.609 50 0 EFAARO O[C@]1(C[NH+]2CCCCC2)CCN(Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000077505042 472541427 /nfs/dbraw/zinc/54/14/27/472541427.db2.gz DCXHUGNPBRKBPA-FQEVSTJZSA-N 1 0 346.519 2.565 50 0 EFAARO Cc1ncc(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)s1 ZINC000071278835 472545959 /nfs/dbraw/zinc/54/59/59/472545959.db2.gz DCQUHFLFCAAVST-LSDHHAIUSA-N 1 0 332.425 2.531 50 0 EFAARO c1ncn(C2CCCC2)c1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000077520434 472546432 /nfs/dbraw/zinc/54/64/32/472546432.db2.gz SRUYTCWVQYGBTB-SFHVURJKSA-N 1 0 332.492 2.685 50 0 EFAARO COc1c(C[NH2+]CC(C)(C)N2CCc3ccccc3C2)c(C)nn1C ZINC000058329513 472547793 /nfs/dbraw/zinc/54/77/93/472547793.db2.gz DTVBZUNMPLDBRX-UHFFFAOYSA-N 1 0 342.487 2.664 50 0 EFAARO CC(C)=CC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077538193 472550469 /nfs/dbraw/zinc/55/04/69/472550469.db2.gz UQOHGENMHHJZAO-HXUWFJFHSA-N 1 0 342.487 2.956 50 0 EFAARO O[C@]1(C[NH+]2CCCCC2)CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000077540748 472551626 /nfs/dbraw/zinc/55/16/26/472551626.db2.gz MMVCNOOZUTZSAP-KRWDZBQOSA-N 1 0 326.843 2.902 50 0 EFAARO O=c1[nH]nc(C2CC[NH+](Cc3ccccc3)CC2)n1Cc1ccccc1 ZINC000071575390 472553496 /nfs/dbraw/zinc/55/34/96/472553496.db2.gz YOOXBEKDAKVEJH-UHFFFAOYSA-N 1 0 348.450 2.999 50 0 EFAARO CNC(=O)c1ccc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)o1 ZINC000071745302 472555710 /nfs/dbraw/zinc/55/57/10/472555710.db2.gz PTHTWAMDHUFVPK-KRWDZBQOSA-N 1 0 333.476 2.582 50 0 EFAARO COCCC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071735596 472557007 /nfs/dbraw/zinc/55/70/07/472557007.db2.gz XGNWXTOPZGZXIZ-GOSISDBHSA-N 1 0 336.451 2.921 50 0 EFAARO OC1CC[NH+](C2CCN(c3nccc(C4CCCC4)n3)CC2)CC1 ZINC000071746428 472558277 /nfs/dbraw/zinc/55/82/77/472558277.db2.gz SLLHYKJWXYEZTJ-UHFFFAOYSA-N 1 0 330.476 2.560 50 0 EFAARO CC[N@H+](C)CC(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071747191 472558536 /nfs/dbraw/zinc/55/85/36/472558536.db2.gz NKFRYUPBSRYGKF-LJQANCHMSA-N 1 0 342.439 2.700 50 0 EFAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1)N1CCCC1 ZINC000071747317 472558852 /nfs/dbraw/zinc/55/88/52/472558852.db2.gz HWACAVZHRNYMNB-QGZVFWFLSA-N 1 0 345.487 2.578 50 0 EFAARO CC[C@@H]1CN(C2CC[NH+](CC)CC2)CCC(=O)N1Cc1ccccc1 ZINC000071753280 472560650 /nfs/dbraw/zinc/56/06/50/472560650.db2.gz CDZIMGXZQCUSEP-LJQANCHMSA-N 1 0 343.515 2.984 50 0 EFAARO COc1cccnc1C(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071763492 472561644 /nfs/dbraw/zinc/56/16/44/472561644.db2.gz HSCKIMRRQQWHKL-MRXNPFEDSA-N 1 0 331.460 2.673 50 0 EFAARO COc1ccc([C@H]([NH3+])CC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cc1OC ZINC000071761534 472561664 /nfs/dbraw/zinc/56/16/64/472561664.db2.gz KDARUNOWLKRVEN-PEHHYFEISA-N 1 0 344.455 2.598 50 0 EFAARO Cc1cccn2c(C[NH+]3CCCC3)c(C(=O)N3CCCCC3)nc12 ZINC000071764543 472563249 /nfs/dbraw/zinc/56/32/49/472563249.db2.gz LIAWOKNTHAQVCC-UHFFFAOYSA-N 1 0 326.444 2.865 50 0 EFAARO CC[NH+](CC)CCn1c2ccccc2c2c1CCCS(=O)(=O)CC2 ZINC000071769138 472563552 /nfs/dbraw/zinc/56/35/52/472563552.db2.gz GCTPNBPLBCQTKI-UHFFFAOYSA-N 1 0 348.512 2.887 50 0 EFAARO CC(C)c1ccc([C@@H](C)NC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000077753527 472602509 /nfs/dbraw/zinc/60/25/09/472602509.db2.gz IJSCUCPSKVBYMT-OAHLLOKOSA-N 1 0 333.476 2.627 50 0 EFAARO Cc1cccc(N2CCC([N@@H+]3CC[C@@]4(CN(C)C(=O)O4)C3)CC2)c1C ZINC000072454140 472665349 /nfs/dbraw/zinc/66/53/49/472665349.db2.gz PHIRRUKSVXPPSB-HXUWFJFHSA-N 1 0 343.471 2.799 50 0 EFAARO O=C1Nc2ccc(F)cc2[C@]12CC[NH2+][C@H]2c1ccc2c(c1)OCCO2 ZINC000061720051 472716545 /nfs/dbraw/zinc/71/65/45/472716545.db2.gz OUCRRDBJLYGBOD-HKUYNNGSSA-N 1 0 340.354 2.521 50 0 EFAARO CC[C@@H](O)Cn1nc(CC2CC[NH+](C)CC2)nc1-c1ccccc1F ZINC000091350469 472758622 /nfs/dbraw/zinc/75/86/22/472758622.db2.gz QBXJLAXDGXBYLY-OAHLLOKOSA-N 1 0 346.450 2.739 50 0 EFAARO Cc1[nH+]c(N)nc(N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1C ZINC000091575483 472777305 /nfs/dbraw/zinc/77/73/05/472777305.db2.gz OCZUTJJRRXAFST-LBPRGKRZSA-N 1 0 331.807 2.546 50 0 EFAARO CN1CC2(CCC1=O)CC[NH+](CCCOCc1ccccc1)CC2 ZINC000091663746 472790633 /nfs/dbraw/zinc/79/06/33/472790633.db2.gz HJNHPRMHEFBOBK-UHFFFAOYSA-N 1 0 330.472 2.928 50 0 EFAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCCOc1cccc(OC)c1)C2 ZINC000091781857 472806874 /nfs/dbraw/zinc/80/68/74/472806874.db2.gz JDCKEMXYGMQWBR-DLBZAZTESA-N 1 0 346.471 2.797 50 0 EFAARO CC(C)c1cc(NCc2ccc(N3CCCC3=O)cc2)nc(N)[nH+]1 ZINC000091781815 472807158 /nfs/dbraw/zinc/80/71/58/472807158.db2.gz GVXCDAICKVAREA-UHFFFAOYSA-N 1 0 325.416 2.921 50 0 EFAARO O=C(Cc1ccccc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091829933 472814330 /nfs/dbraw/zinc/81/43/30/472814330.db2.gz RBZJYPJNYYQJSR-VQTJNVASSA-N 1 0 335.451 2.747 50 0 EFAARO COCC[N@@H+]1CC[C@@H](C(=O)N(C)Cc2ccccc2OCC(C)C)C1 ZINC000063835565 472819271 /nfs/dbraw/zinc/81/92/71/472819271.db2.gz FWKNPDLAEPZWFR-GOSISDBHSA-N 1 0 348.487 2.648 50 0 EFAARO Cc1nsc(NC(=O)N2CCC[N@H+](Cc3cccs3)CC2)n1 ZINC000063856527 472821902 /nfs/dbraw/zinc/82/19/02/472821902.db2.gz RNMKIGOVJSAXOY-UHFFFAOYSA-N 1 0 337.474 2.648 50 0 EFAARO CCCc1cc(N2CC[N@H+](CC=C(C)C)[C@@H](CCO)C2)nc(C)n1 ZINC000106999951 472921005 /nfs/dbraw/zinc/92/10/05/472921005.db2.gz LMMZWESWHUDUQA-SFHVURJKSA-N 1 0 332.492 2.577 50 0 EFAARO C[C@@H](COc1ccccc1)[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000065370047 472926805 /nfs/dbraw/zinc/92/68/05/472926805.db2.gz CTTIRRJORFJTFO-HNNXBMFYSA-N 1 0 328.412 2.941 50 0 EFAARO O=C([C@@H]1CCC[N@@H+](C2CCCCC2)C1)N(CCO)Cc1ccco1 ZINC000065370513 472927090 /nfs/dbraw/zinc/92/70/90/472927090.db2.gz QTSDGSYFSLGQBO-MRXNPFEDSA-N 1 0 334.460 2.645 50 0 EFAARO OCCOc1ccccc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 ZINC000065374044 472928581 /nfs/dbraw/zinc/92/85/81/472928581.db2.gz DKPONYUWHJXOSH-RBUKOAKNSA-N 1 0 345.414 2.547 50 0 EFAARO C[C@H]1CCCN(C(=O)CC[NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000065386018 472931358 /nfs/dbraw/zinc/93/13/58/472931358.db2.gz FFBQINODRKSOTI-SFHVURJKSA-N 1 0 344.499 2.973 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N(C/C=C/c2ccccc2)CCO)CC1 ZINC000065387996 472931567 /nfs/dbraw/zinc/93/15/67/472931567.db2.gz NKACAHKCBHZSNE-RMKNXTFCSA-N 1 0 330.472 2.641 50 0 EFAARO O=C(COc1ccccc1)NCC1=CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000065393603 472932910 /nfs/dbraw/zinc/93/29/10/472932910.db2.gz WQGMWPRWMXYMSQ-SFHVURJKSA-N 1 0 326.440 2.922 50 0 EFAARO O=C(CC[NH2+]CCc1nc2ccccc2s1)Nc1nccs1 ZINC000065398382 472933557 /nfs/dbraw/zinc/93/35/57/472933557.db2.gz MYZGMMHSKFKRHN-UHFFFAOYSA-N 1 0 332.454 2.914 50 0 EFAARO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2nn(C)c3cccc(Cl)c23)C1 ZINC000065398245 472934035 /nfs/dbraw/zinc/93/40/35/472934035.db2.gz GCQKEWCSYDPKKH-ZDUSSCGKSA-N 1 0 348.878 2.965 50 0 EFAARO CC(C)C[C@H](O)C1CCN(c2nc(CC[NH3+])nc3ccccc32)CC1 ZINC000065398845 472934621 /nfs/dbraw/zinc/93/46/21/472934621.db2.gz KMQDSDHTQBREKG-SFHVURJKSA-N 1 0 342.487 2.754 50 0 EFAARO CCCc1cc(N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)nc(C)n1 ZINC000065404803 472935292 /nfs/dbraw/zinc/93/52/92/472935292.db2.gz GUWSMJNAYFSAJW-MRXNPFEDSA-N 1 0 345.535 2.590 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000065409505 472936861 /nfs/dbraw/zinc/93/68/61/472936861.db2.gz TXVUCBQUAKHAJT-UHFFFAOYSA-N 1 0 340.471 2.668 50 0 EFAARO CCc1cc(N[C@@H](CC)c2ccccn2)nc(N2CCOCC2)[nH+]1 ZINC000065408131 472937041 /nfs/dbraw/zinc/93/70/41/472937041.db2.gz IXYLDHXFQWTPQO-HNNXBMFYSA-N 1 0 327.432 2.834 50 0 EFAARO COc1ccc(C[NH2+]CCC(=O)NCc2cccs2)cc1OC ZINC000065426347 472939688 /nfs/dbraw/zinc/93/96/88/472939688.db2.gz PIZRGCJAMLKWLA-UHFFFAOYSA-N 1 0 334.441 2.561 50 0 EFAARO O=C(C[NH+]1CCCC1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000065435644 472942270 /nfs/dbraw/zinc/94/22/70/472942270.db2.gz JKEUFZCHFOONDJ-VQTJNVASSA-N 1 0 338.451 2.612 50 0 EFAARO Cc1cc(C)n(CC2(C[NH2+]Cc3nc(-c4ccco4)no3)CC2)n1 ZINC000065458076 472945543 /nfs/dbraw/zinc/94/55/43/472945543.db2.gz YOMQUKVGHNGDHI-UHFFFAOYSA-N 1 0 327.388 2.713 50 0 EFAARO CCc1ccc2oc(=O)cc(C[N@H+](C)C[C@@H](C)N3CCOCC3)c2c1 ZINC000065461610 472946676 /nfs/dbraw/zinc/94/66/76/472946676.db2.gz XKRMSXPNPBRNTP-OAHLLOKOSA-N 1 0 344.455 2.508 50 0 EFAARO COc1cc(C[NH2+]CC(=O)Nc2cccc(F)c2C)cc(OC)c1 ZINC000065460426 472947430 /nfs/dbraw/zinc/94/74/30/472947430.db2.gz VNWWDTMVDBZJOX-UHFFFAOYSA-N 1 0 332.375 2.880 50 0 EFAARO COc1ccc([C@H](O)C[NH+]2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000049420915 472948334 /nfs/dbraw/zinc/94/83/34/472948334.db2.gz DUOGBAXGVKSLSI-HXUWFJFHSA-N 1 0 326.440 2.859 50 0 biogenic EFAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2C)C1 ZINC000065463507 472948569 /nfs/dbraw/zinc/94/85/69/472948569.db2.gz HOVMYBJBSYNCLR-KRWDZBQOSA-N 1 0 326.444 2.529 50 0 EFAARO COc1cccc([C@H](O)C[NH+]2CCN(c3ccc(C)cc3)CC2)c1 ZINC000049420913 472948741 /nfs/dbraw/zinc/94/87/41/472948741.db2.gz MNVQQDLHFZCDQL-HXUWFJFHSA-N 1 0 326.440 2.859 50 0 biogenic EFAARO CCCn1cnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)n1 ZINC000065495088 472956599 /nfs/dbraw/zinc/95/65/99/472956599.db2.gz JZIDRWJDKNSIIG-CQSZACIVSA-N 1 0 327.432 2.925 50 0 EFAARO C[N@H+](CCC(=O)NC1CCCCC1)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000065508561 472960118 /nfs/dbraw/zinc/96/01/18/472960118.db2.gz WWYZBMGTVQJVEJ-INIZCTEOSA-N 1 0 349.519 2.548 50 0 EFAARO C[N@H+](CCC(=O)NC1CCCCC1)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000065508563 472960411 /nfs/dbraw/zinc/96/04/11/472960411.db2.gz WWYZBMGTVQJVEJ-MRXNPFEDSA-N 1 0 349.519 2.548 50 0 EFAARO Cc1cccc(N2CC[NH+](CCC(=O)NCc3ccco3)CC2)c1C ZINC000065525833 472966936 /nfs/dbraw/zinc/96/69/36/472966936.db2.gz SDNOQBOIIIGEKE-UHFFFAOYSA-N 1 0 341.455 2.725 50 0 EFAARO CC(C)[NH+]1CCC(CC(=O)NCc2nncn2C2CCCCC2)CC1 ZINC000065533378 472967851 /nfs/dbraw/zinc/96/78/51/472967851.db2.gz YSBZJKOMVOAJLY-UHFFFAOYSA-N 1 0 347.507 2.910 50 0 EFAARO Cc1nnc2n1C[C@H]([NH2+]Cc1ccccc1OCc1cccnc1)CC2 ZINC000065563810 472976721 /nfs/dbraw/zinc/97/67/21/472976721.db2.gz NHEIYPTVXKQPJR-GOSISDBHSA-N 1 0 349.438 2.665 50 0 EFAARO CC(C)[NH+]1CCC(NS(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000074914387 473093571 /nfs/dbraw/zinc/09/35/71/473093571.db2.gz UWSXFBRABJAGRZ-UHFFFAOYSA-N 1 0 330.881 2.632 50 0 EFAARO CC(C)c1ccc(OCC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000152560148 473576571 /nfs/dbraw/zinc/57/65/71/473576571.db2.gz FEOOXKNUVNYXOV-QGZVFWFLSA-N 1 0 339.439 2.979 50 0 EFAARO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000262664063 473707820 /nfs/dbraw/zinc/70/78/20/473707820.db2.gz IAMOAMCLTAJXLP-GOSISDBHSA-N 1 0 326.400 2.790 50 0 EFAARO O=C(C[C@H]1CCCOC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000192788558 473726129 /nfs/dbraw/zinc/72/61/29/473726129.db2.gz DAIBXVRCUAPWGX-MRXNPFEDSA-N 1 0 334.435 2.723 50 0 EFAARO CCc1nccn1CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000219807277 474149361 /nfs/dbraw/zinc/14/93/61/474149361.db2.gz APQWCINALVPTNV-UHFFFAOYSA-N 1 0 340.471 2.748 50 0 EFAARO CCc1nnc(CN(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC000220498932 474156303 /nfs/dbraw/zinc/15/63/03/474156303.db2.gz FSFHJSPGFUABPD-INIZCTEOSA-N 1 0 342.443 2.645 50 0 EFAARO O[C@H]1C[C@H]([C@@H]([NH2+]C2CCN(Cc3ccco3)CC2)c2ccccn2)C1 ZINC000220670965 474157212 /nfs/dbraw/zinc/15/72/12/474157212.db2.gz HQEAAVRBEVLGEJ-OXFYSEKESA-N 1 0 341.455 2.741 50 0 EFAARO O[C@H]1C[C@H]([C@H]([NH2+]C2CCN(Cc3ccco3)CC2)c2ccccn2)C1 ZINC000220671028 474158163 /nfs/dbraw/zinc/15/81/63/474158163.db2.gz HQEAAVRBEVLGEJ-VPWXQRGCSA-N 1 0 341.455 2.741 50 0 EFAARO CCOc1ncccc1C(=O)N(C)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000221184959 474160067 /nfs/dbraw/zinc/16/00/67/474160067.db2.gz NLNONYCHOJJTNV-UHFFFAOYSA-N 1 0 325.412 2.698 50 0 EFAARO O=C(COc1cccnc1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000221367144 474161311 /nfs/dbraw/zinc/16/13/11/474161311.db2.gz NCYMFCGBDNWWIK-IBGZPJMESA-N 1 0 339.439 2.804 50 0 EFAARO CCN1CCc2ncnc(N3CC[C@@H](c4ccc(OC)cc4)C3)c2C1 ZINC000222193633 474166564 /nfs/dbraw/zinc/16/65/64/474166564.db2.gz MGHBWIMLUDUPGZ-MRXNPFEDSA-N 1 0 338.455 2.857 50 0 EFAARO CC(C)c1nccn1[C@@H](C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000222453809 474169396 /nfs/dbraw/zinc/16/93/96/474169396.db2.gz NZVONUICDCNABS-HNNXBMFYSA-N 1 0 328.460 2.946 50 0 EFAARO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2ncccc2c1 ZINC000222811743 474174899 /nfs/dbraw/zinc/17/48/99/474174899.db2.gz JFIRXWJPABCCCT-GOSISDBHSA-N 1 0 339.439 2.608 50 0 EFAARO Nc1nc(NCc2ccccc2C(F)(F)F)cc(C2CC(O)C2)[nH+]1 ZINC000223104343 474178079 /nfs/dbraw/zinc/17/80/79/474178079.db2.gz SYAYEZSOLYFHAJ-UHFFFAOYSA-N 1 0 338.333 2.928 50 0 EFAARO Cc1n[nH]cc1CN(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000223085474 474178782 /nfs/dbraw/zinc/17/87/82/474178782.db2.gz KIUHGAVYEKCFDU-GOSISDBHSA-N 1 0 326.444 2.731 50 0 EFAARO CC(C)Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)n(C)n1 ZINC000225410112 474211247 /nfs/dbraw/zinc/21/12/47/474211247.db2.gz NYWXNLZRXUUNNZ-NVXWUHKLSA-N 1 0 332.492 2.613 50 0 biogenic EFAARO CC(C)NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229220758 474251339 /nfs/dbraw/zinc/25/13/39/474251339.db2.gz GIGUIJVYXSNDDO-AEFFLSMTSA-N 1 0 326.444 2.855 50 0 EFAARO CC(=O)Nc1cccc(NC(=O)CC[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)c1 ZINC000240825085 474551844 /nfs/dbraw/zinc/55/18/44/474551844.db2.gz QMQBNVIRBHHJOQ-FDCRZUCXSA-N 1 0 341.455 2.952 50 0 EFAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1CC(=O)NC1CCCCC1 ZINC000244724037 474565559 /nfs/dbraw/zinc/56/55/59/474565559.db2.gz MMKKSPGGIXDAJW-GOSISDBHSA-N 1 0 332.492 2.885 50 0 EFAARO COc1ccc(COC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1OC ZINC000252394257 474658352 /nfs/dbraw/zinc/65/83/52/474658352.db2.gz CKDCLCXRNBMMGP-BFYDXBDKSA-N 1 0 337.460 2.844 50 0 EFAARO Cc1ccccc1[C@@]1(O)CC[N@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000252483580 474670201 /nfs/dbraw/zinc/67/02/01/474670201.db2.gz FFLZWMIBRPKOOQ-LJQANCHMSA-N 1 0 336.395 2.534 50 0 EFAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)CC(=O)Nc1cc(C)ccc1F ZINC000252485191 474671606 /nfs/dbraw/zinc/67/16/06/474671606.db2.gz GOWOWBJSJBWCNN-UHFFFAOYSA-N 1 0 332.423 2.977 50 0 EFAARO COc1ccccc1CNC(=O)CC[N@@H+]1CCC[C@H]1c1nccs1 ZINC000252487704 474673158 /nfs/dbraw/zinc/67/31/58/474673158.db2.gz IAHGZCYBFFNIQK-HNNXBMFYSA-N 1 0 345.468 2.995 50 0 EFAARO Cc1nnsc1CNC(=O)c1ccc(C[NH+]2CCC(C)CC2)o1 ZINC000252487712 474673518 /nfs/dbraw/zinc/67/35/18/474673518.db2.gz IAIZXYXCRJIHHE-UHFFFAOYSA-N 1 0 334.445 2.601 50 0 EFAARO O=C(CCN1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1)Nc1ccccc1F ZINC000252490645 474677761 /nfs/dbraw/zinc/67/77/61/474677761.db2.gz KYJDPEUMAQQTED-DLBZAZTESA-N 1 0 345.462 2.961 50 0 EFAARO CCN(C[C@@H]1CC[N@H+](C)C1)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000252497603 474679988 /nfs/dbraw/zinc/67/99/88/474679988.db2.gz QKRFTLRQWDGWPS-OAHLLOKOSA-N 1 0 327.432 2.678 50 0 EFAARO CC1=C(c2ccccc2)[C@H]1C(=O)NCCCOC1CC[NH+](C)CC1 ZINC000252505721 474684011 /nfs/dbraw/zinc/68/40/11/474684011.db2.gz VTFAKGCCHLXSJH-IBGZPJMESA-N 1 0 328.456 2.707 50 0 EFAARO CN(Cc1nc2cc(Cl)ccc2[nH]1)c1cc([C@H]2C[C@@H]([NH3+])C2)ncn1 ZINC000252536069 474694286 /nfs/dbraw/zinc/69/42/86/474694286.db2.gz HNWSQQWBJRGPSB-KLPPZKSPSA-N 1 0 342.834 2.847 50 0 EFAARO CCn1c(COc2ccc(Cl)cc2OC)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252536433 474694350 /nfs/dbraw/zinc/69/43/50/474694350.db2.gz IOJZDRFLYWTOSN-KLPPZKSPSA-N 1 0 336.823 2.744 50 0 EFAARO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)C[C@H](C)O1 ZINC000340186893 475839030 /nfs/dbraw/zinc/83/90/30/475839030.db2.gz WSLSLKKKAFBDCQ-ZIFCJYIRSA-N 1 0 330.472 2.892 50 0 EFAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)CCCn2cccn2)C1 ZINC000299764389 476151357 /nfs/dbraw/zinc/15/13/57/476151357.db2.gz VFCRNVDOUCYJHK-SFHVURJKSA-N 1 0 340.471 2.610 50 0 EFAARO CCn1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)n1 ZINC000299764264 476151750 /nfs/dbraw/zinc/15/17/50/476151750.db2.gz RBUYWHPGAIRQJV-SFHVURJKSA-N 1 0 326.444 2.860 50 0 EFAARO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]n1 ZINC000299754477 476151955 /nfs/dbraw/zinc/15/19/55/476151955.db2.gz VPXZLXSEMWRTJR-CRAIPNDOSA-N 1 0 332.492 2.945 50 0 biogenic EFAARO CCC1=NO[C@H](CNC(=O)Nc2ccc(-n3ccnc3C)cc2)C1 ZINC000299794682 476153614 /nfs/dbraw/zinc/15/36/14/476153614.db2.gz LRGIDAQLYRQRGF-INIZCTEOSA-N 1 0 327.388 2.857 50 0 EFAARO COc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1F ZINC000423493537 477048366 /nfs/dbraw/zinc/04/83/66/477048366.db2.gz BTZNTOHYDUOQEP-GDBMZVCRSA-N 1 0 346.377 2.849 50 0 EFAARO c1nc(NCC2([NH+]3CCCCC3)CCCC2)cc([C@H]2CCOC2)n1 ZINC000426358212 477706621 /nfs/dbraw/zinc/70/66/21/477706621.db2.gz GELDYEDUWJZAOZ-INIZCTEOSA-N 1 0 330.476 3.191 50 0 EFAARO c1nc(NCC2([NH+]3CCCCC3)CCCC2)cc([C@@H]2CCOC2)n1 ZINC000426358218 477706751 /nfs/dbraw/zinc/70/67/51/477706751.db2.gz GELDYEDUWJZAOZ-MRXNPFEDSA-N 1 0 330.476 3.191 50 0 EFAARO [NH3+]CCc1nnc(SC[C@H]2CCCCO2)n1-c1ccc(F)cc1 ZINC000426530790 477715507 /nfs/dbraw/zinc/71/55/07/477715507.db2.gz JLXUPGJIQXWWBO-CQSZACIVSA-N 1 0 336.436 2.569 50 0 EFAARO Cc1ccc(OCCCN(C)C(=O)NC[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC000426535886 477716561 /nfs/dbraw/zinc/71/65/61/477716561.db2.gz NWUYOUKYJROCJS-QGZVFWFLSA-N 1 0 333.476 2.665 50 0 EFAARO CC[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2cc(-c3ccccc3)on2)C1 ZINC000426535907 477717059 /nfs/dbraw/zinc/71/70/59/477717059.db2.gz PSCYTNXMAKHQCQ-HNNXBMFYSA-N 1 0 342.443 2.825 50 0 EFAARO C[NH2+]Cc1nnc(SCc2ccc(C(F)(F)F)c(F)c2)n1C ZINC000426535932 477717381 /nfs/dbraw/zinc/71/73/81/477717381.db2.gz RLQZZVLGIBIOJF-UHFFFAOYSA-N 1 0 334.342 2.985 50 0 EFAARO COc1ccc(-n2c(CC[NH3+])nnc2SCc2cncs2)cc1 ZINC000426544794 477718821 /nfs/dbraw/zinc/71/88/21/477718821.db2.gz MQGHXJQFGTZTCO-UHFFFAOYSA-N 1 0 347.469 2.526 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cc(C)ccc3F)[C@H]1C[C@H](OCCO)CC2 ZINC000426555893 477720436 /nfs/dbraw/zinc/72/04/36/477720436.db2.gz LTKKVQRCBDXWDV-NZSAHSFTSA-N 1 0 337.435 2.655 50 0 EFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)CCCO2 ZINC000426584144 477722069 /nfs/dbraw/zinc/72/20/69/477722069.db2.gz WFSJYUMHVAPPAH-UHFFFAOYSA-N 1 0 336.435 2.800 50 0 EFAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc(-c3cncnc3)c2)C1 ZINC000426589965 477723239 /nfs/dbraw/zinc/72/32/39/477723239.db2.gz LCFZEOZGQYRLIZ-OAHLLOKOSA-N 1 0 336.439 2.842 50 0 EFAARO COCCN(Cc1ccc(C)s1)C(=O)NC[C@@]1(C)CC[N@H+](C)C1 ZINC000426589944 477723351 /nfs/dbraw/zinc/72/33/51/477723351.db2.gz HAGPPZJTOZNSGY-QGZVFWFLSA-N 1 0 339.505 2.556 50 0 EFAARO [NH3+]CCc1nnc(SC[C@@H]2CCCCO2)n1-c1ccccc1F ZINC000426588844 477723831 /nfs/dbraw/zinc/72/38/31/477723831.db2.gz DRPVHAHGUCHXHH-LBPRGKRZSA-N 1 0 336.436 2.569 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cc(C)n[nH]3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426606805 477724313 /nfs/dbraw/zinc/72/43/13/477724313.db2.gz VEPQBQOUWHUCBY-JENIJYKNSA-N 1 0 342.443 2.704 50 0 EFAARO CN(Cc1ccccc1C[NH+](C)C)c1cc([C@H]2CCOC2)ncn1 ZINC000426612297 477726571 /nfs/dbraw/zinc/72/65/71/477726571.db2.gz GOQCILDAQMJVKJ-KRWDZBQOSA-N 1 0 326.444 2.679 50 0 EFAARO Cc1nc(C)c(-c2cccc(C(=O)N3CCO[C@H](CC[NH3+])C3)c2)s1 ZINC000426622868 477728304 /nfs/dbraw/zinc/72/83/04/477728304.db2.gz BFDLUTQYIRSBMV-MRXNPFEDSA-N 1 0 345.468 2.617 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cc(C)no3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426634292 477729201 /nfs/dbraw/zinc/72/92/01/477729201.db2.gz ODKSDOLVXVGNJQ-HHXXYDBFSA-N 1 0 343.427 2.969 50 0 EFAARO C[NH2+]Cc1nnc(SC[C@H](O)C2CC2)n1-c1cccc(Cl)c1 ZINC000426652981 477734441 /nfs/dbraw/zinc/73/44/41/477734441.db2.gz PTGGZQOJKNPTIK-ZDUSSCGKSA-N 1 0 338.864 2.503 50 0 EFAARO COc1ccc(C2(CNC(=O)N3CC[C@H]([NH+](C)C)C3)CCCC2)cc1 ZINC000426658546 477734465 /nfs/dbraw/zinc/73/44/65/477734465.db2.gz TZTSSVOERHWHCQ-KRWDZBQOSA-N 1 0 345.487 2.853 50 0 EFAARO [NH3+]CCOc1cccc(CC(=O)NCc2csc3c2CCCC3)c1 ZINC000426674316 477736076 /nfs/dbraw/zinc/73/60/76/477736076.db2.gz TUHXDZCFRXPJMH-UHFFFAOYSA-N 1 0 344.480 2.823 50 0 EFAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000426683796 477737564 /nfs/dbraw/zinc/73/75/64/477737564.db2.gz KISWJUGOXOCGDF-FQEVSTJZSA-N 1 0 338.455 2.978 50 0 EFAARO Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(OCCC[NH3+])c2)cn1 ZINC000426707563 477740205 /nfs/dbraw/zinc/74/02/05/477740205.db2.gz YZEFWXZMVXHKEA-HNNXBMFYSA-N 1 0 327.428 2.917 50 0 EFAARO Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(OCCC[NH3+])c2)cn1 ZINC000426707592 477740793 /nfs/dbraw/zinc/74/07/93/477740793.db2.gz YZEFWXZMVXHKEA-OAHLLOKOSA-N 1 0 327.428 2.917 50 0 EFAARO COCC[N@@H+]1CCC[C@H](CNC(=O)N(C)C/C=C/c2ccccc2)C1 ZINC000426740380 477745583 /nfs/dbraw/zinc/74/55/83/477745583.db2.gz GHOTWVRRPRAMNW-ZAOIQFLMSA-N 1 0 345.487 2.700 50 0 EFAARO CCCC[NH+]1CCC(CNC(=O)N2Cc3ccccc3[C@H](O)C2)CC1 ZINC000534583461 478159620 /nfs/dbraw/zinc/15/96/20/478159620.db2.gz FUSUOYZWCKAJTF-LJQANCHMSA-N 1 0 345.487 2.757 50 0 EFAARO O=C(c1ccc(-c2ccc(O)cn2)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000534578234 478160071 /nfs/dbraw/zinc/16/00/71/478160071.db2.gz ODVADUSYZIUIQX-KRWDZBQOSA-N 1 0 337.423 2.765 50 0 EFAARO CC1CC[NH+](CCNC(=O)N2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000534589103 478160490 /nfs/dbraw/zinc/16/04/90/478160490.db2.gz CWEMHKVNFVAPPO-SFHVURJKSA-N 1 0 331.460 2.581 50 0 EFAARO CC[N@H+](C)[C@H](C)CCNC(=O)N1CCCOc2c(cccc2OC)C1 ZINC000534584079 478160790 /nfs/dbraw/zinc/16/07/90/478160790.db2.gz GWKUXUMGSXGJLL-OAHLLOKOSA-N 1 0 349.475 2.720 50 0 EFAARO CC[C@H](C[NH+](C)C)NC(=O)N(C)Cc1cc(-c2cccs2)n[nH]1 ZINC000534588908 478160901 /nfs/dbraw/zinc/16/09/01/478160901.db2.gz WXQXMQXVTZRDMJ-GFCCVEGCSA-N 1 0 335.477 2.620 50 0 EFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(c2ccncc2)CC1 ZINC000534590124 478161004 /nfs/dbraw/zinc/16/10/04/478161004.db2.gz XXFPEPHTJBLJBG-MRXNPFEDSA-N 1 0 330.476 2.845 50 0 EFAARO COc1cccc(CN(C(=O)NC[C@@H](C)[NH+]2CCCC2)C2CC2)c1 ZINC000534587457 478161212 /nfs/dbraw/zinc/16/12/12/478161212.db2.gz LZHTZZSPQZJTGN-OAHLLOKOSA-N 1 0 331.460 2.854 50 0 EFAARO Cc1ccnc(C[C@@H](C)N(C)C(=O)NC2(C[NH+]3CCCCC3)CC2)c1 ZINC000534592855 478162044 /nfs/dbraw/zinc/16/20/44/478162044.db2.gz YSQJCMNNJBMJMH-QGZVFWFLSA-N 1 0 344.503 2.981 50 0 EFAARO COCCN(Cc1ccsc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000534634329 478163849 /nfs/dbraw/zinc/16/38/49/478163849.db2.gz DQJCPEPYQLNBCT-UHFFFAOYSA-N 1 0 339.505 2.782 50 0 EFAARO CCn1ncc(-c2ccc(C(=O)NCC[NH+](CC)CC)cc2)c1C ZINC000534639270 478164370 /nfs/dbraw/zinc/16/43/70/478164370.db2.gz RFIKODWWWIIOAK-UHFFFAOYSA-N 1 0 328.460 2.950 50 0 EFAARO O=C([C@H]1C=CC[NH2+]1)N(CCc1ccc(Cl)cc1)Cc1ccncc1 ZINC000534643496 478165086 /nfs/dbraw/zinc/16/50/86/478165086.db2.gz MMLKFVJSHJDWJY-GOSISDBHSA-N 1 0 341.842 2.834 50 0 EFAARO C[NH+](C)C1(CNC(=O)c2cc(Cl)c[nH]c2=O)CCCCCC1 ZINC000534654325 478166181 /nfs/dbraw/zinc/16/61/81/478166181.db2.gz BJMCFRKJNHHPEI-UHFFFAOYSA-N 1 0 325.840 2.825 50 0 EFAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(-c3cnn4ccccc34)c2)C1 ZINC000534652170 478166514 /nfs/dbraw/zinc/16/65/14/478166514.db2.gz BLMNTHAFOSLVRI-QGZVFWFLSA-N 1 0 334.423 2.777 50 0 EFAARO O=C(NCc1cc(Cl)ccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000534658867 478166726 /nfs/dbraw/zinc/16/67/26/478166726.db2.gz AAZFVMRPRHCRHP-CYBMUJFWSA-N 1 0 328.243 2.983 50 0 EFAARO COc1cc(C)c(-c2cccc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2)cn1 ZINC000584885197 479271420 /nfs/dbraw/zinc/27/14/20/479271420.db2.gz VTVNGSIJJPANCR-KRWDZBQOSA-N 1 0 339.439 2.842 50 0 EFAARO Cc1ccc(C)c([C@H](NC(=O)N(C)CC[NH+](C)C)c2cccnc2)c1 ZINC000584897618 479275170 /nfs/dbraw/zinc/27/51/70/479275170.db2.gz PKNWJWAOEPALCA-LJQANCHMSA-N 1 0 340.471 2.991 50 0 EFAARO CCOC(=O)N1CC[C@@H]([NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC000584898211 479275211 /nfs/dbraw/zinc/27/52/11/479275211.db2.gz JTQGIPQWNHGFAF-CQSZACIVSA-N 1 0 330.432 2.938 50 0 EFAARO Cc1cc(C)nc(C[N@@H+](C)[C@@H](C)Cn2cnc3ccccc3c2=O)c1 ZINC000584900654 479276851 /nfs/dbraw/zinc/27/68/51/479276851.db2.gz ZMCVGKGDOHFVOZ-INIZCTEOSA-N 1 0 336.439 2.929 50 0 EFAARO CC(=O)N1CCC([N@@H+]2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 ZINC000584904391 479277755 /nfs/dbraw/zinc/27/77/55/479277755.db2.gz BFRAASKCBXSFQW-PMACEKPBSA-N 1 0 333.520 2.726 50 0 EFAARO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000585136813 479296275 /nfs/dbraw/zinc/29/62/75/479296275.db2.gz UAYOWUFGWGWCSZ-VGWMRTNUSA-N 1 0 336.476 2.791 50 0 EFAARO [NH3+]Cc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 ZINC000575598494 479448182 /nfs/dbraw/zinc/44/81/82/479448182.db2.gz GRRDUDJQILRRES-OAHLLOKOSA-N 1 0 335.450 2.827 50 0 in-vitro EFAARO [NH3+]C1CCC(CS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000575599908 479448367 /nfs/dbraw/zinc/44/83/67/479448367.db2.gz SZNKPXRYTIEHJN-UHFFFAOYSA-N 1 0 332.263 2.740 50 0 EFAARO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc2c(c1)CCC2 ZINC000057165788 527533361 /nfs/dbraw/zinc/53/33/61/527533361.db2.gz KTFTYUPVTPONGQ-UHFFFAOYSA-N 1 0 335.451 2.965 50 0 EFAARO CC1(C)C[C@@H]([NH2+]CCCS(=O)(=O)c2ccccc2)C(C)(C)O1 ZINC000158688218 529139225 /nfs/dbraw/zinc/13/92/25/529139225.db2.gz WXQSGFNNOAQITF-OAHLLOKOSA-N 1 0 325.474 2.786 50 0 EFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC(Oc3ccc(F)cc3)C2)C1 ZINC000426370096 535170212 /nfs/dbraw/zinc/17/02/12/535170212.db2.gz SQGNQTRYPWOLCK-OAHLLOKOSA-N 1 0 349.450 2.719 50 0 EFAARO CCCc1ncncc1C(=O)N(CC[NH+](C)C)Cc1ccc(C)cc1 ZINC000215409585 535548662 /nfs/dbraw/zinc/54/86/62/535548662.db2.gz SMSAKDDXRFZNAP-UHFFFAOYSA-N 1 0 340.471 2.942 50 0 EFAARO CC[C@H](NC(=O)c1ccc(OC)c(OCC[NH3+])c1)c1ncccc1C ZINC000426389213 535877282 /nfs/dbraw/zinc/87/72/82/535877282.db2.gz FDXOVCHAXVEXNW-HNNXBMFYSA-N 1 0 343.427 2.617 50 0 EFAARO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)C1CCOCC1 ZINC000244659709 536572805 /nfs/dbraw/zinc/57/28/05/536572805.db2.gz 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547492375 /nfs/dbraw/zinc/49/23/75/547492375.db2.gz WRMMFLZANKURDR-KRWDZBQOSA-N 1 0 341.480 2.779 50 0 EFAARO Cc1ncn(CC[NH2+]C2CCN(CCc3ccccc3)CC2)c1C ZINC000670453124 547492435 /nfs/dbraw/zinc/49/24/35/547492435.db2.gz ZXSACKFTKGUSAB-UHFFFAOYSA-N 1 0 326.488 2.797 50 0 EFAARO C[NH+](C)CC1(O)CCN(C(=O)NCc2ccc(C(C)(C)C)cc2)CC1 ZINC000670455672 547493531 /nfs/dbraw/zinc/49/35/31/547493531.db2.gz NSGPUAAGCYCDAW-UHFFFAOYSA-N 1 0 347.503 2.582 50 0 EFAARO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc[nH]n3)C1)OCCCO2 ZINC000670465591 547494348 /nfs/dbraw/zinc/49/43/48/547494348.db2.gz SHSUAVVCCIPDSG-CQSZACIVSA-N 1 0 343.427 2.959 50 0 EFAARO COc1cccc(N2CCC([N@@H+]3CCC[C@H](c4nnc[nH]4)C3)CC2)c1 ZINC000670469578 547495163 /nfs/dbraw/zinc/49/51/63/547495163.db2.gz LTXDYKXIZIYPKP-HNNXBMFYSA-N 1 0 341.459 2.662 50 0 EFAARO COc1cccc(N2CCC([N@@H+]3CCC[C@@H](c4nnc[nH]4)C3)CC2)c1 ZINC000670469579 547495283 /nfs/dbraw/zinc/49/52/83/547495283.db2.gz LTXDYKXIZIYPKP-OAHLLOKOSA-N 1 0 341.459 2.662 50 0 EFAARO COc1ccc([C@H]([NH3+])Cc2ncnn2-c2cccc(C)c2)cc1OC ZINC000670474089 547496509 /nfs/dbraw/zinc/49/65/09/547496509.db2.gz IEWZOGZAMXECGS-MRXNPFEDSA-N 1 0 338.411 2.835 50 0 EFAARO C[C@H]([NH+](C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169817139 564017226 /nfs/dbraw/zinc/01/72/26/564017226.db2.gz QNBLJKNFFUJJLE-LJQANCHMSA-N 1 0 331.535 2.646 50 0 EFAARO CCc1nccc(C[N@H+](C)CC2(N3CCOCC3)CCCCC2)n1 ZINC000216002625 564033741 /nfs/dbraw/zinc/03/37/41/564033741.db2.gz VTBAAIYOQGCESE-UHFFFAOYSA-N 1 0 332.492 2.506 50 0 EFAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)Cc2ccc(F)cc2)CC1 ZINC000169751767 564100014 /nfs/dbraw/zinc/10/00/14/564100014.db2.gz BMYWJSBFSMCXIT-UHFFFAOYSA-N 1 0 345.418 2.754 50 0 EFAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)Cc2ccccc2C)CC1 ZINC000169751652 564100023 /nfs/dbraw/zinc/10/00/23/564100023.db2.gz XYNVBNWPLZUFJV-UHFFFAOYSA-N 1 0 341.455 2.923 50 0 EFAARO O=C(Cc1cccs1)N1C[C@@H]2C[NH2+]C[C@@]2(CCc2ccccc2)C1 ZINC001772702629 1249285276 /nfs/dbraw/zinc/28/52/76/1249285276.db2.gz 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[NH3+][C@@H]1CCN(C(=O)NCCCSCc2ccccc2Cl)C1 ZINC000826951607 1267334929 /nfs/dbraw/zinc/33/49/29/1267334929.db2.gz IIGPMYVOURFSKT-CYBMUJFWSA-N 1 0 327.881 2.706 50 0 EFAARO Cn1nccc1CCC(=O)NCC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000827822420 1267492916 /nfs/dbraw/zinc/49/29/16/1267492916.db2.gz KDSOAVBBYJOVGQ-GOSISDBHSA-N 1 0 344.503 2.537 50 0 EFAARO O=C(c1ccc[nH]1)N1CCOC2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000827969790 1267539985 /nfs/dbraw/zinc/53/99/85/1267539985.db2.gz QIBPDSWSHKVHMF-UHFFFAOYSA-N 1 0 345.468 2.583 50 0 EFAARO O=C(CCCn1cccn1)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828013014 1267562461 /nfs/dbraw/zinc/56/24/61/1267562461.db2.gz JOHAWZPSZHLHKA-OAHLLOKOSA-N 1 0 332.473 2.506 50 0 EFAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(CNC(=O)[C@H]3CCCO3)CC1)=CC2 ZINC000828124096 1267608448 /nfs/dbraw/zinc/60/84/48/1267608448.db2.gz GGNIIBRABKQZCY-GBESFXJTSA-N 1 0 346.515 2.986 50 0 EFAARO O=C(NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccc(=O)[nH]1 ZINC000828928391 1268000473 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O=C(N[C@H]1COc2ccccc2C1)c1ccc(C[NH+]2CCCC2)o1 ZINC000952970189 1284935842 /nfs/dbraw/zinc/93/58/42/1284935842.db2.gz LJJHQERLICCEII-OAHLLOKOSA-N 1 0 326.396 2.609 50 0 EFAARO OC[C@@H]1CCC[N@H+](CCCNc2nnc(-c3ccccc3)s2)C1 ZINC000952972246 1284942974 /nfs/dbraw/zinc/94/29/74/1284942974.db2.gz VDGMUTAMWYJPIM-CQSZACIVSA-N 1 0 332.473 2.711 50 0 EFAARO OC[C@H]1CCCCN1CC[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000952981042 1284948028 /nfs/dbraw/zinc/94/80/28/1284948028.db2.gz RLJCEHRXAFARTG-GOSISDBHSA-N 1 0 332.488 2.944 50 0 EFAARO CCN(Cc1nc(C(C)C)no1)C(=O)Cc1cnc2c(C)cccn12 ZINC000952974488 1284948246 /nfs/dbraw/zinc/94/82/46/1284948246.db2.gz MAMBSIRCXLFRLN-UHFFFAOYSA-N 1 0 341.415 2.740 50 0 EFAARO Cc1c(Cl)cccc1S(=O)(=O)N(C)C[C@H]1CCCC[N@@H+]1C ZINC000952977751 1284953157 /nfs/dbraw/zinc/95/31/57/1284953157.db2.gz OYBZHROPDCEAKT-CYBMUJFWSA-N 1 0 330.881 2.753 50 0 EFAARO O=C(CC1CC[NH2+]CC1)Nc1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000952980271 1284959194 /nfs/dbraw/zinc/95/91/94/1284959194.db2.gz PAWOXKYHVFUCPV-SFHVURJKSA-N 1 0 332.444 2.963 50 0 EFAARO Cc1ccc(-c2ccc(=O)[nH]n2)cc1NC(=O)C[NH+]1CCCCCC1 ZINC000952979891 1284959783 /nfs/dbraw/zinc/95/97/83/1284959783.db2.gz DKXHUOUPSZGFMV-UHFFFAOYSA-N 1 0 340.427 2.972 50 0 EFAARO CN(C)c1ccc(CCNC(=O)c2ccc(C[NH+]3CCCC3)o2)cc1 ZINC000952967402 1284963271 /nfs/dbraw/zinc/96/32/71/1284963271.db2.gz HUOMLSHGVWWYRQ-UHFFFAOYSA-N 1 0 341.455 2.914 50 0 EFAARO CCNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000952968138 1284964435 /nfs/dbraw/zinc/96/44/35/1284964435.db2.gz ILZVOXVIDTVBLI-HNNXBMFYSA-N 1 0 331.803 2.728 50 0 EFAARO CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000952986217 1284987624 /nfs/dbraw/zinc/98/76/24/1284987624.db2.gz YVJSJELKZDPVQK-UHFFFAOYSA-N 1 0 325.412 2.783 50 0 EFAARO COCC[N@@H+]1CCC[C@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000952986891 1284988170 /nfs/dbraw/zinc/98/81/70/1284988170.db2.gz BMCBIBHIAHZLQM-HWWITLHISA-N 1 0 349.519 2.613 50 0 EFAARO O[C@H]1CCCOC12CC[NH+](Cc1ccc(C(F)(F)F)nc1)CC2 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1 0 330.472 2.743 50 0 EFAARO COCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CC(C)C)C3 ZINC000014989397 1311428868 /nfs/dbraw/zinc/42/88/68/1311428868.db2.gz HSHPMTQUPPPAQS-CYBMUJFWSA-N 1 0 349.500 2.597 50 0 EFAARO Cc1nc2ccc(-c3nc(-c4c(C)ncc5c4CC[NH2+]C5)no3)cc2[nH]1 ZINC000020907833 1314739241 /nfs/dbraw/zinc/73/92/41/1314739241.db2.gz QDFCRRPLDOSBJC-UHFFFAOYSA-N 1 0 346.394 2.937 50 0 EFAARO Fc1cccc([C@@]2(C[NH2+]CCc3[nH]nc4c3CCCC4)CCOC2)c1 ZINC000020999070 1314755665 /nfs/dbraw/zinc/75/56/65/1314755665.db2.gz FGEUIETXJINKCO-HXUWFJFHSA-N 1 0 343.446 2.918 50 0 EFAARO COc1cccc2c1OC[C@H](NC(=O)C1([NH+]3CCCC3)CCCC1)C2 ZINC000824801320 1321712979 /nfs/dbraw/zinc/71/29/79/1321712979.db2.gz JPKRCOLQVXQHOZ-MRXNPFEDSA-N 1 0 344.455 2.524 50 0 EFAARO Cc1cccc(OC2C[NH+]([C@H]3CCC(=O)N(CC4CC4)CC3)C2)c1 ZINC001506397348 1405749701 /nfs/dbraw/zinc/74/97/01/1405749701.db2.gz QJZGXJPGINJTHN-KRWDZBQOSA-N 1 0 328.456 2.849 50 0 EFAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc2c(c1)ncn2C ZINC001506404742 1405752747 /nfs/dbraw/zinc/75/27/47/1405752747.db2.gz FTWMAPPKFSDQKU-GOSISDBHSA-N 1 0 348.450 2.702 50 0 EFAARO Cc1ccc(N2CCC([NH2+][C@@H]3CCCCNC3=O)CC2)cc1Cl ZINC001506406056 1405753988 /nfs/dbraw/zinc/75/39/88/1405753988.db2.gz YNOUXLFOFJXVLC-QGZVFWFLSA-N 1 0 335.879 2.876 50 0 EFAARO O=C(c1cccnc1)N1CCC([NH2+]CCCC[C@@H]2CCCO2)CC1 ZINC001506419740 1405760813 /nfs/dbraw/zinc/76/08/13/1405760813.db2.gz WGPYJMWPWMUZOB-GOSISDBHSA-N 1 0 331.460 2.625 50 0 EFAARO O=C(c1cccnc1)N1CCC([NH2+]CCCC[C@H]2CCCO2)CC1 ZINC001506419741 1405760888 /nfs/dbraw/zinc/76/08/88/1405760888.db2.gz WGPYJMWPWMUZOB-SFHVURJKSA-N 1 0 331.460 2.625 50 0 EFAARO COCC[N@@H+]1CC[C@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001506420552 1405761127 /nfs/dbraw/zinc/76/11/27/1405761127.db2.gz ISFDITLCIKWEPB-ZDUSSCGKSA-N 1 0 349.431 2.856 50 0 EFAARO O=C1CC[C@@H]([NH2+]Cc2nc(C3CCCCC3)no2)CCN1CC1CC1 ZINC001506421894 1405762011 /nfs/dbraw/zinc/76/20/11/1405762011.db2.gz NYJQSOBWVQTFRU-MRXNPFEDSA-N 1 0 346.475 2.998 50 0 EFAARO CCc1ccccc1NC(=O)CCC(=O)N(C)C[C@]1(C)CC[N@H+](C)C1 ZINC001506427611 1405764649 /nfs/dbraw/zinc/76/46/49/1405764649.db2.gz RGTRAPUYLKNSOI-HXUWFJFHSA-N 1 0 345.487 2.768 50 0 EFAARO CCc1ccccc1NC(=O)CCC(=O)N(C)C[C@@]1(C)CC[N@H+](C)C1 ZINC001506427610 1405764875 /nfs/dbraw/zinc/76/48/75/1405764875.db2.gz RGTRAPUYLKNSOI-FQEVSTJZSA-N 1 0 345.487 2.768 50 0 EFAARO CCNC(=O)c1cc(NC(=O)c2ccc(CC[NH3+])cc2)ccc1Cl ZINC001506428271 1405765831 /nfs/dbraw/zinc/76/58/31/1405765831.db2.gz OUXJTLRYZMBFSF-UHFFFAOYSA-N 1 0 345.830 2.843 50 0 EFAARO COc1c(C)cnc(C[NH2+][C@@H]2CCC(=O)N(CC3CC3)CC2)c1C ZINC001506429131 1405766143 /nfs/dbraw/zinc/76/61/43/1405766143.db2.gz VNSBXAFOSHQIQF-MRXNPFEDSA-N 1 0 331.460 2.588 50 0 EFAARO CCn1ccc(C[NH+]2CCC3(CC2)OCCc2cc(OC)ccc23)n1 ZINC001704299738 1417900864 /nfs/dbraw/zinc/90/08/64/1417900864.db2.gz SCMQPUHVIGPZKC-UHFFFAOYSA-N 1 0 341.455 2.976 50 0 EFAARO CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001704300229 1417900938 /nfs/dbraw/zinc/90/09/38/1417900938.db2.gz ZMFJVWHVWZPPSE-WSTZPKSXSA-N 1 0 330.472 2.761 50 0 EFAARO Cc1[nH+]c(N2CCCC2)nc(NC[C@H](CO)Cc2ccco2)c1C ZINC001704299172 1417901384 /nfs/dbraw/zinc/90/13/84/1417901384.db2.gz NDDVRUMCSZGGCX-OAHLLOKOSA-N 1 0 330.432 2.550 50 0 EFAARO Cc1[nH+]c(N2CCCC2)nc(NC[C@@H](CO)Cc2ccco2)c1C ZINC001704299170 1417901529 /nfs/dbraw/zinc/90/15/29/1417901529.db2.gz NDDVRUMCSZGGCX-HNNXBMFYSA-N 1 0 330.432 2.550 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)C(C)(C)c1ccccc1 ZINC001704304403 1417901926 /nfs/dbraw/zinc/90/19/26/1417901926.db2.gz RDDZKTGPVOFOBE-UHFFFAOYSA-N 1 0 328.460 2.586 50 0 EFAARO C[N@@H+]1C[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-c1ccccc1)C2 ZINC001704316074 1417905894 /nfs/dbraw/zinc/90/58/94/1417905894.db2.gz UVJQMUQSKLYGPS-AEFFLSMTSA-N 1 0 336.435 2.756 50 0 EFAARO C[N@@H+]1CCC[C@]2(CO)CCN(Cc3cccc(F)c3Cl)C[C@@H]12 ZINC001704342582 1417912674 /nfs/dbraw/zinc/91/26/74/1417912674.db2.gz ONWJZQRIBPDYDF-NVXWUHKLSA-N 1 0 326.843 2.758 50 0 EFAARO CCc1cc(C[N@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)on1 ZINC001704358757 1417915412 /nfs/dbraw/zinc/91/54/12/1417915412.db2.gz SCGQKIWQZBJLPY-FOIQADDNSA-N 1 0 337.423 2.821 50 0 EFAARO Cc1cc(Cl)ccc1OC[C@@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000022147111 713853619 /nfs/dbraw/zinc/85/36/19/713853619.db2.gz FJZSPVYGGKOIHV-SFHVURJKSA-N 1 0 349.858 2.883 50 0 EFAARO CC(C)c1nc2ccccc2n1CC(=O)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065530535 715279797 /nfs/dbraw/zinc/27/97/97/715279797.db2.gz COYNCVGOWDESMQ-CABCVRRESA-N 1 0 326.444 2.513 50 0 EFAARO Cc1nn([C@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000002778360 715282787 /nfs/dbraw/zinc/28/27/87/715282787.db2.gz LJZZSXDIJBCLSS-LLVKDONJSA-N 1 0 326.872 2.831 50 0 EFAARO OCC[C@H]1C[N@@H+](C2CCSCC2)CCN1CCCc1ccccc1 ZINC000022918419 715440791 /nfs/dbraw/zinc/44/07/91/715440791.db2.gz RUYXXDASSNLDAG-FQEVSTJZSA-N 1 0 348.556 2.883 50 0 EFAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCCO2 ZINC000888088898 717236812 /nfs/dbraw/zinc/23/68/12/717236812.db2.gz WRRHZZIOLIWAPV-SJORKVTESA-N 1 0 344.455 2.842 50 0 EFAARO Cc1csc(CN2CCCN(C(=O)CCc3ccncc3)CC2)n1 ZINC000981519893 718779866 /nfs/dbraw/zinc/77/98/66/718779866.db2.gz GITZJEXQIRMPJW-UHFFFAOYSA-N 1 0 344.484 2.514 50 0 EFAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000004728862 210262332 /nfs/dbraw/zinc/26/23/32/210262332.db2.gz JDTMDOTZAVACMX-GFCCVEGCSA-N 1 0 329.400 2.625 50 0 EFAARO Cc1ccccc1C[NH+]1CCC(Nc2ncnc3c2cnn3C)CC1 ZINC000052406921 214127066 /nfs/dbraw/zinc/12/70/66/214127066.db2.gz YNERJPNQWIKZTL-UHFFFAOYSA-N 1 0 336.443 2.748 50 0 EFAARO CC(C)COc1ccccc1-c1cc(N2CC[NH+](C)CC2)nc(N)n1 ZINC000097742922 219052487 /nfs/dbraw/zinc/05/24/87/219052487.db2.gz XKAQFYOFMRSUIV-UHFFFAOYSA-N 1 0 341.459 2.512 50 0 EFAARO Cc1cc2occ(CC(=O)NCC[N@@H+]3CCCC[C@H]3CO)c2c(C)c1 ZINC000097732725 219052955 /nfs/dbraw/zinc/05/29/55/219052955.db2.gz GKBGNTATCKLYTJ-KRWDZBQOSA-N 1 0 344.455 2.555 50 0 EFAARO C[C@H](CC[NH+]1CCC(n2cc(CCO)nn2)CC1)c1ccccc1 ZINC000055073063 214269007 /nfs/dbraw/zinc/26/90/07/214269007.db2.gz QFOKJUWNFGNLOY-MRXNPFEDSA-N 1 0 328.460 2.644 50 0 EFAARO Cc1cc(F)ccc1NC(=O)N1CC[N@@H+](CC(C)C)[C@@H](CCO)C1 ZINC000097743012 219053481 /nfs/dbraw/zinc/05/34/81/219053481.db2.gz ISNIARFAFYYHRZ-INIZCTEOSA-N 1 0 337.439 2.691 50 0 EFAARO Cc1cc(F)ccc1NC(=O)N1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000097743011 219053603 /nfs/dbraw/zinc/05/36/03/219053603.db2.gz ISNIARFAFYYHRZ-MRXNPFEDSA-N 1 0 337.439 2.691 50 0 EFAARO CCN(CC[NH+]1CCCCCC1)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000055108793 214274882 /nfs/dbraw/zinc/27/48/82/214274882.db2.gz PVUSJNJGGOBBTN-UHFFFAOYSA-N 1 0 342.443 2.674 50 0 EFAARO CCn1c(C)ccc(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)c1=O ZINC000055168417 214283150 /nfs/dbraw/zinc/28/31/50/214283150.db2.gz NJZCUNFOGVENAG-UHFFFAOYSA-N 1 0 347.503 2.903 50 0 EFAARO CCc1oc(C(=O)N(C)Cc2nccn2CC)cc1C[NH+]1CCCC1 ZINC000055212092 214290246 /nfs/dbraw/zinc/29/02/46/214290246.db2.gz NOMUICIETMROCK-UHFFFAOYSA-N 1 0 344.459 2.926 50 0 EFAARO CN(C)Cc1cn(C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)nn1 ZINC000055253321 214296686 /nfs/dbraw/zinc/29/66/86/214296686.db2.gz YICWLRMYDAZPAN-ONEGZZNKSA-N 1 0 343.450 2.829 50 0 EFAARO COCC[N@@H+]1CCC[C@]2(CCN(Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC000055271228 214299378 /nfs/dbraw/zinc/29/93/78/214299378.db2.gz DPTOFSOUNQXMIG-FQEVSTJZSA-N 1 0 345.487 2.579 50 0 EFAARO CCOc1ccc2nc(C[NH+]3CCC4(C[C@@H](O)CO4)CC3)ccc2c1 ZINC000097772772 219055412 /nfs/dbraw/zinc/05/54/12/219055412.db2.gz RARXJNAWZLPOMG-QGZVFWFLSA-N 1 0 342.439 2.749 50 0 EFAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCn2nccc2C)s1 ZINC000055370700 214313984 /nfs/dbraw/zinc/31/39/84/214313984.db2.gz PITSEDIETCLXGI-UHFFFAOYSA-N 1 0 334.489 2.542 50 0 EFAARO c1cn(CCC[N@@H+](Cc2cccnc2)Cc2ccc3nonc3c2)cn1 ZINC000055386208 214315562 /nfs/dbraw/zinc/31/55/62/214315562.db2.gz DAOPCCJGULSXCD-UHFFFAOYSA-N 1 0 348.410 2.907 50 0 EFAARO CC(C)c1nnsc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055393215 214317061 /nfs/dbraw/zinc/31/70/61/214317061.db2.gz LSAWPICOVXGXPR-CYBMUJFWSA-N 1 0 348.472 2.783 50 0 EFAARO CCOc1ccc2nc(C[NH+]3CCC4(C[C@H](O)CO4)CC3)ccc2c1 ZINC000097772771 219055774 /nfs/dbraw/zinc/05/57/74/219055774.db2.gz RARXJNAWZLPOMG-KRWDZBQOSA-N 1 0 342.439 2.749 50 0 EFAARO CCc1oc(C(=O)NCc2snnc2C)cc1C[NH+](CC)CC ZINC000055358340 214311741 /nfs/dbraw/zinc/31/17/41/214311741.db2.gz BDNPXRVVBPYFLK-UHFFFAOYSA-N 1 0 336.461 2.774 50 0 EFAARO CCc1oc(C(=O)NCc2cnc(C)cn2)cc1C[NH+](CC)CC ZINC000055403155 214320211 /nfs/dbraw/zinc/32/02/11/214320211.db2.gz LYPBNVARDHVLRW-UHFFFAOYSA-N 1 0 330.432 2.712 50 0 EFAARO CCn1ccnc1CNC(=O)c1ccc([C@@H](C)[NH+]2CCCCC2)o1 ZINC000055413009 214321029 /nfs/dbraw/zinc/32/10/29/214321029.db2.gz CDFSGIAMBSTUBH-CQSZACIVSA-N 1 0 330.432 2.973 50 0 EFAARO C[NH+]1CCC(CCC(=O)N[C@@H](c2cccnc2)C(F)(F)F)CC1 ZINC000097784742 219056484 /nfs/dbraw/zinc/05/64/84/219056484.db2.gz ANISVLWSDYWZMJ-HNNXBMFYSA-N 1 0 329.366 2.923 50 0 EFAARO c1cncc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCOC2)c1 ZINC000055393649 214317834 /nfs/dbraw/zinc/31/78/34/214317834.db2.gz FWPKIZDRKFYXPZ-KRWDZBQOSA-N 1 0 326.396 2.849 50 0 EFAARO O=C(NCCc1nccs1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174403255 231199737 /nfs/dbraw/zinc/19/97/37/231199737.db2.gz ZGEMLDMBFNAYCW-MRXNPFEDSA-N 1 0 329.469 2.857 50 0 EFAARO C[NH+]1CCC(OC(=O)c2ccccc2I)CC1 ZINC000004664845 210242005 /nfs/dbraw/zinc/24/20/05/210242005.db2.gz PELWOVKMTQUDPE-UHFFFAOYSA-N 1 0 345.180 2.542 50 0 EFAARO O=C1C[C@@H]([NH2+]CCc2ccccc2Cl)C(=O)N1c1ccccc1 ZINC000004648912 210236632 /nfs/dbraw/zinc/23/66/32/210236632.db2.gz VBJDWKGJQJGZLK-MRXNPFEDSA-N 1 0 328.799 2.804 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@@H]3CC)C2=O)cc1 ZINC000004648940 210236261 /nfs/dbraw/zinc/23/62/61/210236261.db2.gz DEYMRGFPFBMRFM-WMLDXEAASA-N 1 0 330.428 2.982 50 0 EFAARO COc1cc(OC)cc([C@H]2[NH2+]CC[C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000061718089 214673761 /nfs/dbraw/zinc/67/37/61/214673761.db2.gz IIMARLGIJHJGPN-IEBWSBKVSA-N 1 0 342.370 2.767 50 0 EFAARO COc1ccc([C@@H](O)[C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccc(OC)cc2)cc1 ZINC000004018943 210101792 /nfs/dbraw/zinc/10/17/92/210101792.db2.gz SLMWVFCNXTYGHR-WZBLMQSHSA-N 1 0 345.439 2.837 50 0 EFAARO CCOC(=O)c1oc2cccc(OC[C@@H](O)C[NH2+]C(C)C)c2c1C ZINC000004008295 210098774 /nfs/dbraw/zinc/09/87/74/210098774.db2.gz QVJVMNUTCGTBCH-ZDUSSCGKSA-N 1 0 335.400 2.656 50 0 in-vitro EFAARO COc1ccc(Br)cc1CN(C)C1CC[NH+](C)CC1 ZINC000003684167 210074079 /nfs/dbraw/zinc/07/40/79/210074079.db2.gz JXLLHRSYNPUQRC-UHFFFAOYSA-N 1 0 327.266 2.984 50 0 EFAARO Cc1c2cc(C)ccc2[nH]c1C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000067431822 215144122 /nfs/dbraw/zinc/14/41/22/215144122.db2.gz YJTXQBCMLMIBOY-HNNXBMFYSA-N 1 0 349.500 2.546 50 0 EFAARO CN(Cc1csc(-c2cccs2)n1)c1cc(CC[NH3+])ncn1 ZINC000067458140 215148113 /nfs/dbraw/zinc/14/81/13/215148113.db2.gz JRCQVYUFXCMHKG-UHFFFAOYSA-N 1 0 331.470 2.799 50 0 EFAARO Cc1nnsc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000067489625 215152980 /nfs/dbraw/zinc/15/29/80/215152980.db2.gz FSLUIXNIEJKNMM-ZDUSSCGKSA-N 1 0 348.447 2.628 50 0 EFAARO C[C@H]1CCC[N@H+](CCCOc2ccc(CNN3CCOCC3)cc2)C1 ZINC000067601787 215165792 /nfs/dbraw/zinc/16/57/92/215165792.db2.gz XHADEFFEQIDTHY-SFHVURJKSA-N 1 0 347.503 2.524 50 0 EFAARO Cc1nc(-c2cccc(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)c2)no1 ZINC000067605475 215167615 /nfs/dbraw/zinc/16/76/15/215167615.db2.gz XVLFKAGDDZXBFI-CQSZACIVSA-N 1 0 328.416 2.507 50 0 EFAARO CCC1([NH2+]C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067605487 215168029 /nfs/dbraw/zinc/16/80/29/215168029.db2.gz SRCVQNDFHWLIPO-HXUWFJFHSA-N 1 0 330.472 2.505 50 0 EFAARO O=C(NCc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000067688785 215184480 /nfs/dbraw/zinc/18/44/80/215184480.db2.gz GSRNLNRPRUKITB-SFHVURJKSA-N 1 0 338.455 2.793 50 0 EFAARO CC[N@H+](Cc1cnn(C)c1)Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067712922 215191680 /nfs/dbraw/zinc/19/16/80/215191680.db2.gz CMRPRFVXVGVGEM-UHFFFAOYSA-N 1 0 330.819 2.937 50 0 EFAARO O=C(NCC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1O ZINC000067692109 215187382 /nfs/dbraw/zinc/18/73/82/215187382.db2.gz OIIQSPASHJNYBU-MRXNPFEDSA-N 1 0 339.439 2.819 50 0 EFAARO CN(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](CCOCc1ccccc1)C2 ZINC000067692730 215187725 /nfs/dbraw/zinc/18/77/25/215187725.db2.gz XTEPDQMOZLKQPC-HXUWFJFHSA-N 1 0 345.487 2.673 50 0 EFAARO C[C@H](Cc1cccc(F)c1)[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000067695419 215188290 /nfs/dbraw/zinc/18/82/90/215188290.db2.gz DFLDIUMNITXKJQ-CYBMUJFWSA-N 1 0 325.387 2.826 50 0 EFAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3([NH3+])CCCC3)C2)cc1C ZINC000067726103 215196419 /nfs/dbraw/zinc/19/64/19/215196419.db2.gz DCZSVLPEUVSDEA-GOSISDBHSA-N 1 0 329.488 2.513 50 0 EFAARO Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C3CCOCC3)C2)ccc1F ZINC000067740757 215199117 /nfs/dbraw/zinc/19/91/17/215199117.db2.gz YARHGCLMCPYFSF-QGZVFWFLSA-N 1 0 348.462 2.889 50 0 EFAARO CC[NH+](CC)Cc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1 ZINC000067741797 215200425 /nfs/dbraw/zinc/20/04/25/215200425.db2.gz ZKVUMYHIISVZHG-UHFFFAOYSA-N 1 0 325.412 2.880 50 0 EFAARO C[C@H](C[NH+]1CCCC1)C(=O)N1Cc2cnc(-c3ccccc3)nc2C1 ZINC000067741642 215200684 /nfs/dbraw/zinc/20/06/84/215200684.db2.gz HLCTUYXOVNBTAH-OAHLLOKOSA-N 1 0 336.439 2.718 50 0 EFAARO COc1ccccc1-c1ncc(C[N@@H+]2CCC(=O)NC[C@H]2C)s1 ZINC000067741606 215200950 /nfs/dbraw/zinc/20/09/50/215200950.db2.gz ZKRAWDKSXSIOTI-GFCCVEGCSA-N 1 0 331.441 2.529 50 0 EFAARO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@H+](CCC(N)=O)C2 ZINC000067769604 215207923 /nfs/dbraw/zinc/20/79/23/215207923.db2.gz PFRXHVHOFCLVLN-UHFFFAOYSA-N 1 0 346.452 2.802 50 0 EFAARO O=c1[nH]c2cc3c(cc2cc1C[N@@H+]1CCC[C@@H]1c1ccccn1)OCO3 ZINC000067770975 215207358 /nfs/dbraw/zinc/20/73/58/215207358.db2.gz IGVBBKGTVKHIEN-QGZVFWFLSA-N 1 0 349.390 2.989 50 0 EFAARO O=C(c1csc(Cc2ccccc2)n1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067787511 215212475 /nfs/dbraw/zinc/21/24/75/215212475.db2.gz VQTUTEGKEIRJQP-IBGZPJMESA-N 1 0 341.480 2.950 50 0 EFAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)o1 ZINC000067773234 215209639 /nfs/dbraw/zinc/20/96/39/215209639.db2.gz LCDUZLGFSALBIG-MRXNPFEDSA-N 1 0 345.487 2.543 50 0 EFAARO CCC[NH+]1CCC(CC(=O)N(C)Cc2[nH]nc3c2CCCC3)CC1 ZINC000067784466 215210622 /nfs/dbraw/zinc/21/06/22/215210622.db2.gz ZLCYPZAISDJYJI-UHFFFAOYSA-N 1 0 332.492 2.759 50 0 EFAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]C1CCCC1 ZINC000067787502 215212642 /nfs/dbraw/zinc/21/26/42/215212642.db2.gz ZGWPUEHCYLMLJJ-HXUWFJFHSA-N 1 0 330.472 2.505 50 0 EFAARO COC(=O)c1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000067800566 215215684 /nfs/dbraw/zinc/21/56/84/215215684.db2.gz TYQNQPDICYOBPC-UHFFFAOYSA-N 1 0 348.443 2.962 50 0 EFAARO COc1ccc2[nH]c(=O)c(CN3CCC[C@H]3C[NH+]3CCCC3)cc2c1 ZINC000067817201 215219642 /nfs/dbraw/zinc/21/96/42/215219642.db2.gz QVCBRNZSRBLPAD-KRWDZBQOSA-N 1 0 341.455 2.597 50 0 EFAARO O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067817181 215220518 /nfs/dbraw/zinc/22/05/18/215220518.db2.gz OQHGOKJTONEYTR-CQSZACIVSA-N 1 0 349.283 2.758 50 0 EFAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3cccs3)nn2C)C1 ZINC000067817542 215220523 /nfs/dbraw/zinc/22/05/23/215220523.db2.gz ICMKRBHNFBDOOK-CYBMUJFWSA-N 1 0 332.473 2.610 50 0 EFAARO C[C@H]([NH3+])C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067820823 215221782 /nfs/dbraw/zinc/22/17/82/215221782.db2.gz VGUKGYCDNQIQEM-NSHDSACASA-N 1 0 346.814 2.781 50 0 EFAARO CC(=O)Nc1cccc(C(=O)NCC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000067805206 215217681 /nfs/dbraw/zinc/21/76/81/215217681.db2.gz WZUWTJHPDAWUCV-INIZCTEOSA-N 1 0 331.460 2.885 50 0 EFAARO COc1nc2ccccc2cc1C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067805981 215218164 /nfs/dbraw/zinc/21/81/64/215218164.db2.gz ZSMBYRGLIAMKSG-OAHLLOKOSA-N 1 0 327.428 2.592 50 0 EFAARO Cc1ccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1C ZINC000067805750 215218545 /nfs/dbraw/zinc/21/85/45/215218545.db2.gz ZHJODLVJUJJZOG-QGZVFWFLSA-N 1 0 336.501 2.597 50 0 EFAARO Cn1ccnc1-c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000067842569 215227027 /nfs/dbraw/zinc/22/70/27/215227027.db2.gz KQFSKFNIWAHPLR-INIZCTEOSA-N 1 0 334.427 2.564 50 0 EFAARO Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000067843317 215228046 /nfs/dbraw/zinc/22/80/46/215228046.db2.gz PLVRFKPQHPZJOC-GOSISDBHSA-N 1 0 338.455 2.843 50 0 EFAARO C[C@H](c1nc(CC2CC[NH+](C)CC2)no1)n1cnc2ccccc21 ZINC000067846728 215228117 /nfs/dbraw/zinc/22/81/17/215228117.db2.gz UNTAHJMUDLJQFN-CYBMUJFWSA-N 1 0 325.416 2.913 50 0 EFAARO Cc1ccccc1[C@@]1(O)CC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000067847157 215228958 /nfs/dbraw/zinc/22/89/58/215228958.db2.gz YSOFLCHHZVMLQR-OAQYLSRUSA-N 1 0 346.434 2.941 50 0 EFAARO COc1ccc(C[NH+]2CCC(CNC(=O)C3(C)CC3)CC2)cc1F ZINC000067852008 215231994 /nfs/dbraw/zinc/23/19/94/215231994.db2.gz CWGAISKVPPJJOZ-UHFFFAOYSA-N 1 0 334.435 2.963 50 0 EFAARO CCCCc1nc(Cl)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)[nH]1 ZINC000067856136 215232541 /nfs/dbraw/zinc/23/25/41/215232541.db2.gz BBBSYIKRWNPSOE-QGZVFWFLSA-N 1 0 338.883 2.850 50 0 EFAARO CC(C)(C(=O)NC[C@H]1CC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000067856782 215233216 /nfs/dbraw/zinc/23/32/16/215233216.db2.gz HHNFLJFLSJEVMA-GOSISDBHSA-N 1 0 337.467 2.998 50 0 EFAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cnco3)C2)c(C)c1F ZINC000067868847 215236200 /nfs/dbraw/zinc/23/62/00/215236200.db2.gz XSLAIMWNCJESRT-AWEZNQCLSA-N 1 0 331.391 2.682 50 0 EFAARO Cc1cc(C)n(C[C@H](C)[NH2+]C2CCN(Cc3cccnc3)CC2)n1 ZINC000067868851 215236377 /nfs/dbraw/zinc/23/63/77/215236377.db2.gz ICQVQMZHSROJPE-INIZCTEOSA-N 1 0 327.476 2.538 50 0 EFAARO CCS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000067878693 215237511 /nfs/dbraw/zinc/23/75/11/215237511.db2.gz FUWSPQRSVMNQLD-MRXNPFEDSA-N 1 0 346.496 2.991 50 0 EFAARO Cc1ccc(-c2nc(CNC(=O)C[NH+](C)C)[nH]c2-c2ccccn2)cc1 ZINC000067880956 215238608 /nfs/dbraw/zinc/23/86/08/215238608.db2.gz XRXYNLSXUUHGEV-UHFFFAOYSA-N 1 0 349.438 2.625 50 0 EFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cc(CC(C)C)no2)CC1 ZINC000067878966 215238718 /nfs/dbraw/zinc/23/87/18/215238718.db2.gz YAGMMYGZSLIQND-UHFFFAOYSA-N 1 0 342.443 2.929 50 0 EFAARO CN(Cc1ccccc1)c1ncccc1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000067894913 215244281 /nfs/dbraw/zinc/24/42/81/215244281.db2.gz OOSJGXJLHJBMAT-HXUWFJFHSA-N 1 0 336.483 2.902 50 0 EFAARO COc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000067894780 215244352 /nfs/dbraw/zinc/24/43/52/215244352.db2.gz NXZRSUYUQOUMIL-KRWDZBQOSA-N 1 0 339.439 2.732 50 0 EFAARO CC(C)c1ccc(C[N@@H+]2CC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000067881639 215240707 /nfs/dbraw/zinc/24/07/07/215240707.db2.gz UBTPJUUOWPOCCR-MRXNPFEDSA-N 1 0 336.501 2.714 50 0 EFAARO COc1cc(Cn2ccnc2C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000067908438 215246752 /nfs/dbraw/zinc/24/67/52/215246752.db2.gz KFUSJUDNQYFTTK-UHFFFAOYSA-N 1 0 345.443 2.766 50 0 EFAARO Cc1cc(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)ccc1O ZINC000067909155 215248183 /nfs/dbraw/zinc/24/81/83/215248183.db2.gz ZQKBIAGUXZSSIM-FUHWJXTLSA-N 1 0 341.407 2.780 50 0 EFAARO [NH3+]C[C@@H]1Cc2cc(-c3ccc(C(=O)N4CCCCC4)o3)cc(F)c2O1 ZINC000067909522 215248356 /nfs/dbraw/zinc/24/83/56/215248356.db2.gz BZOFZKIQGULSGH-AWEZNQCLSA-N 1 0 344.386 2.974 50 0 EFAARO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccc(F)cc3F)C2)on1 ZINC000067908897 215248504 /nfs/dbraw/zinc/24/85/04/215248504.db2.gz GFMAECOMYWZUGQ-LBPRGKRZSA-N 1 0 335.354 2.513 50 0 EFAARO Cc1c(CN2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)[nH]c2c1cccc2Cl ZINC000067910449 215249005 /nfs/dbraw/zinc/24/90/05/215249005.db2.gz XYKDVHQBFVSXNP-LRDDRELGSA-N 1 0 348.878 2.556 50 0 EFAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CC[C@H](CNC(=O)C3CC3)C2)c1 ZINC000067920304 215250140 /nfs/dbraw/zinc/25/01/40/215250140.db2.gz OVSWFPHBZQAXNL-MRXNPFEDSA-N 1 0 338.455 2.529 50 0 EFAARO Cc1ccsc1C(=O)NCC[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000067921804 215251810 /nfs/dbraw/zinc/25/18/10/215251810.db2.gz PDANHOWUPWQLEJ-MRXNPFEDSA-N 1 0 349.544 2.983 50 0 EFAARO Cc1cccnc1C[N@H+](C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067946154 215254140 /nfs/dbraw/zinc/25/41/40/215254140.db2.gz SIXZYYHXOOSRNH-UHFFFAOYSA-N 1 0 337.379 2.592 50 0 EFAARO Cc1cccc(C(=O)NCC[C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000067966920 215262479 /nfs/dbraw/zinc/26/24/79/215262479.db2.gz MLJIRMXWNLJUBS-QGZVFWFLSA-N 1 0 338.455 2.817 50 0 EFAARO COCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1c(C)cccc1C)C2 ZINC000067966174 215262657 /nfs/dbraw/zinc/26/26/57/215262657.db2.gz GYXXBRHYTPNMJA-FQEVSTJZSA-N 1 0 330.472 2.764 50 0 EFAARO Cc1cccc(C(=O)NCC[C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000067966918 215261488 /nfs/dbraw/zinc/26/14/88/215261488.db2.gz MLJIRMXWNLJUBS-KRWDZBQOSA-N 1 0 338.455 2.817 50 0 EFAARO C=Cc1cccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C(C)C)C2)c1 ZINC000067981791 215265684 /nfs/dbraw/zinc/26/56/84/215265684.db2.gz GPBOZZQTPZSSLV-GOSISDBHSA-N 1 0 336.501 2.869 50 0 EFAARO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000067982129 215267429 /nfs/dbraw/zinc/26/74/29/215267429.db2.gz UJNBFZJPDIWMMF-HNNXBMFYSA-N 1 0 341.455 2.626 50 0 EFAARO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000067974638 215264223 /nfs/dbraw/zinc/26/42/23/215264223.db2.gz AEUTVOIGTWBCFV-OAHLLOKOSA-N 1 0 340.427 2.728 50 0 EFAARO C[C@@H]1CCc2sc3nc(NCCC[NH+](C)C)n4ncnc4c3c2C1 ZINC000002444216 209850468 /nfs/dbraw/zinc/85/04/68/209850468.db2.gz SDYUOMNZMUOMMM-LLVKDONJSA-N 1 0 344.488 2.827 50 0 EFAARO CC(C)[N@@H+]1CCN(Cc2ccccc2C(F)(F)F)C[C@H]1CCO ZINC000104339839 219377041 /nfs/dbraw/zinc/37/70/41/219377041.db2.gz QMTJTRVMOUJAOT-OAHLLOKOSA-N 1 0 330.394 2.982 50 0 EFAARO CC(=O)c1cccc(CN2CC[N@@H+](CCC(C)C)[C@H](CCO)C2)c1 ZINC000104526240 219393551 /nfs/dbraw/zinc/39/35/51/219393551.db2.gz IBWQLOBZOAWKNQ-HXUWFJFHSA-N 1 0 332.488 2.804 50 0 EFAARO COc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)cc1C ZINC000039380761 213236510 /nfs/dbraw/zinc/23/65/10/213236510.db2.gz OCQTUHHROLVADW-GOSISDBHSA-N 1 0 334.504 2.918 50 0 EFAARO Cn1cccc1[C@H](CNC(=O)c1cc(-c2ccccc2)on1)[NH+](C)C ZINC000038674655 213220829 /nfs/dbraw/zinc/22/08/29/213220829.db2.gz KGVWIOKZSQWCJD-KRWDZBQOSA-N 1 0 338.411 2.713 50 0 EFAARO C[NH+](C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21 ZINC000038542752 213213824 /nfs/dbraw/zinc/21/38/24/213213824.db2.gz SFSFIDVAEMDPIP-UHFFFAOYSA-N 1 0 347.415 2.570 50 0 in-vivo EFAARO Cn1cccc1[C@H](CNC(=O)NCc1ccc(Cl)cc1)[NH+](C)C ZINC000038489732 213211443 /nfs/dbraw/zinc/21/14/43/213211443.db2.gz RFCCVFRHGJGJFC-INIZCTEOSA-N 1 0 334.851 2.781 50 0 EFAARO C[NH+](C)[C@@H]1CCC[C@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000536432 209653501 /nfs/dbraw/zinc/65/35/01/209653501.db2.gz LSWJQVDIUFZAST-RTBURBONSA-N 1 0 339.435 2.948 50 0 EFAARO O[C@@H](Cn1c2ccccc2nc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000037868551 213171404 /nfs/dbraw/zinc/17/14/04/213171404.db2.gz BWYXVBAQESXIMF-GFCCVEGCSA-N 1 0 327.350 2.902 50 0 EFAARO Cc1nc(N(C)C)cc(NCCNC(=O)Nc2ccccc2Cl)[nH+]1 ZINC000036708086 213110750 /nfs/dbraw/zinc/11/07/50/213110750.db2.gz XXSQSGLGKSVXKS-UHFFFAOYSA-N 1 0 348.838 2.738 50 0 EFAARO O=C1NC2(CC[NH+](Cc3cccc(F)c3)CC2)N=C1c1ccccc1 ZINC000035430920 213027773 /nfs/dbraw/zinc/02/77/73/213027773.db2.gz RWYONNUZJOTBJL-UHFFFAOYSA-N 1 0 337.398 2.737 50 0 EFAARO CC(C)[C@@H]1CN(C(=O)c2ncc(F)cc2F)CCC[N@@H+]1CC1CC1 ZINC000071750974 215808076 /nfs/dbraw/zinc/80/80/76/215808076.db2.gz NQIYUCWMBXDNLP-INIZCTEOSA-N 1 0 337.414 2.942 50 0 EFAARO CCOc1ccc(C[N@@H+]2CCC[C@](O)(CO)CC2)c(OCC)c1C ZINC000072121809 216015370 /nfs/dbraw/zinc/01/53/70/216015370.db2.gz FXOALILHGXHFDG-LJQANCHMSA-N 1 0 337.460 2.502 50 0 EFAARO CC(C)c1nnc(CN(Cc2cccnc2)[C@H]2C[NH+]3CCC2CC3)o1 ZINC000072124033 216017092 /nfs/dbraw/zinc/01/70/92/216017092.db2.gz MAFCTHKITSUOLN-KRWDZBQOSA-N 1 0 341.459 2.684 50 0 EFAARO Fc1cc(F)cc([C@@H]2CN(Cc3ncc[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072140245 216026598 /nfs/dbraw/zinc/02/65/98/216026598.db2.gz LNMOAFQWYAWKBA-QXAKKESOSA-N 1 0 344.409 2.750 50 0 EFAARO O=C(N1CCCC1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072129534 216021331 /nfs/dbraw/zinc/02/13/31/216021331.db2.gz OZIMYVKTXHFVOT-IPMKNSEASA-N 1 0 325.456 2.764 50 0 EFAARO CCCO[C@@H]1CCCN(c2nc(-c3cccnc3)nc3c2C[NH2+]C3)C1 ZINC000072132940 216021981 /nfs/dbraw/zinc/02/19/81/216021981.db2.gz KPMNJNWZLGAXTM-OAHLLOKOSA-N 1 0 339.443 2.537 50 0 EFAARO Fc1ccc(CC[C@H]2CCC[N@H+](CCCn3cnnn3)C2)c(F)c1 ZINC000072135188 216023495 /nfs/dbraw/zinc/02/34/95/216023495.db2.gz QUPMSQNNZDAHIU-CQSZACIVSA-N 1 0 335.402 2.686 50 0 EFAARO Cn1ncc2c1nc(C1CCCC1)nc2N1CC([NH+]2CCCCC2)C1 ZINC000072141982 216027783 /nfs/dbraw/zinc/02/77/83/216027783.db2.gz JOVNNJSEAVQEQG-UHFFFAOYSA-N 1 0 340.475 2.695 50 0 EFAARO CC(C)([NH3+])C(=O)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000072143184 216029083 /nfs/dbraw/zinc/02/90/83/216029083.db2.gz ZPWFQQOXYXJMKN-GFCCVEGCSA-N 1 0 342.361 2.864 50 0 EFAARO CCc1nc(CN(CCc2ccccc2)C2CC[NH+](C)CC2)no1 ZINC000072151989 216040832 /nfs/dbraw/zinc/04/08/32/216040832.db2.gz HPKRHYDKRQORDG-UHFFFAOYSA-N 1 0 328.460 2.771 50 0 EFAARO Cn1ncc2c1nc(C1CCCC1)nc2NCC[C@@H]1CCCC[NH2+]1 ZINC000072162451 216050379 /nfs/dbraw/zinc/05/03/79/216050379.db2.gz 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2.532 50 0 EFAARO [NH3+]C[C@@H]1CCCN(c2cc(-c3ccccc3F)nc3ccnn32)C1 ZINC000072406971 216198472 /nfs/dbraw/zinc/19/84/72/216198472.db2.gz XVEFZSAGQIYHBZ-ZDUSSCGKSA-N 1 0 325.391 2.711 50 0 EFAARO CN(C)C(=O)c1cccc(C[C@@H]2CC[C@H](C[NH+]3CCSCC3)O2)c1 ZINC000072408211 216199456 /nfs/dbraw/zinc/19/94/56/216199456.db2.gz DLDOSZTYCTYPSU-ZWKOTPCHSA-N 1 0 348.512 2.527 50 0 EFAARO c1ccc2c(c1)CN(c1nc(-c3cccnc3)nc3c1CC[NH2+]CC3)C2 ZINC000072418260 216205901 /nfs/dbraw/zinc/20/59/01/216205901.db2.gz XMMSCBYQPSCFJV-UHFFFAOYSA-N 1 0 343.434 2.747 50 0 EFAARO Cc1nc2c(c(N[C@H](C)C3CC3)n1)CC[N@H+](Cc1ccncc1)CC2 ZINC000072420057 216208805 /nfs/dbraw/zinc/20/88/05/216208805.db2.gz SAUPEDIUVFBKLK-CQSZACIVSA-N 1 0 337.471 2.991 50 0 EFAARO CCOCc1nc2c(c(N[C@@H](C)c3nc(C)cs3)n1)CC[NH2+]CC2 ZINC000072421076 216209439 /nfs/dbraw/zinc/20/94/39/216209439.db2.gz HWGINWLDPRXPMV-LBPRGKRZSA-N 1 0 347.488 2.639 50 0 EFAARO c1cn(C[C@H]2OCCc3ccccc32)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072423983 216213228 /nfs/dbraw/zinc/21/32/28/216213228.db2.gz YLADDMNBNAOHCM-LJQANCHMSA-N 1 0 349.438 2.554 50 0 EFAARO c1coc(-c2nc3c(c(NCCc4cscn4)n2)CC[NH2+]CC3)c1 ZINC000072424410 216214317 /nfs/dbraw/zinc/21/43/17/216214317.db2.gz MSEMWBCJFBIFTC-UHFFFAOYSA-N 1 0 341.440 2.536 50 0 EFAARO CCOCc1nc2c(c(N[C@H](CC)c3ccncc3)n1)CC[NH2+]CC2 ZINC000072424508 216215226 /nfs/dbraw/zinc/21/52/26/216215226.db2.gz VCLRDZDAUPOTMG-MRXNPFEDSA-N 1 0 341.459 2.660 50 0 EFAARO CCc1nc2c(c(NCc3coc(-c4ccccc4)n3)n1)CC[NH2+]CC2 ZINC000072425656 216216019 /nfs/dbraw/zinc/21/60/19/216216019.db2.gz VTZVILOIXKKUEU-UHFFFAOYSA-N 1 0 349.438 2.994 50 0 EFAARO CCCc1cnc(C)nc1N1CC[N@@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000072428456 216219296 /nfs/dbraw/zinc/21/92/96/216219296.db2.gz TUTQGAGFZZTQTQ-LJQANCHMSA-N 1 0 346.519 2.943 50 0 EFAARO C[C@@H](CN1CC2(CCN(CC(C)(C)[NH3+])CC2)OC1=O)c1ccccc1 ZINC000072428966 216221177 /nfs/dbraw/zinc/22/11/77/216221177.db2.gz HSMCTZQRAGAZJF-INIZCTEOSA-N 1 0 345.487 2.814 50 0 EFAARO Cc1cc(N2CCN(Cc3ccnc(C(C)C)n3)CC2)cc(C)[nH+]1 ZINC000072426745 216218202 /nfs/dbraw/zinc/21/82/02/216218202.db2.gz QCACVCGWPBAFKW-UHFFFAOYSA-N 1 0 325.460 2.934 50 0 EFAARO Cc1nc2c(c(NCCc3nccs3)n1)CC[N@H+](CC1CC1)CC2 ZINC000072433631 216228032 /nfs/dbraw/zinc/22/80/32/216228032.db2.gz XTPOOWVSRZXEKG-UHFFFAOYSA-N 1 0 343.500 2.707 50 0 EFAARO Cc1cc2nc(C(C)C)cc(NCC[C@H](C)[NH+]3CCN(C)CC3)n2n1 ZINC000072431253 216223988 /nfs/dbraw/zinc/22/39/88/216223988.db2.gz YHQPEMOITRWBBI-INIZCTEOSA-N 1 0 344.507 2.599 50 0 EFAARO CCOc1ccc2nc(C[N@@H+]3CC[C@]4(CN(C)C(=O)O4)C3)ccc2c1 ZINC000072432288 216225778 /nfs/dbraw/zinc/22/57/78/216225778.db2.gz WGTBEOUJKZWLQS-IBGZPJMESA-N 1 0 341.411 2.660 50 0 EFAARO C[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc(CCC(C)(C)O)c1)CC2 ZINC000072433193 216226618 /nfs/dbraw/zinc/22/66/18/216226618.db2.gz KQYVYSIAAVGGKD-UHFFFAOYSA-N 1 0 344.499 2.948 50 0 EFAARO CC(C)(O)CCc1ccc(C[NH+]2CCC(n3cnnc3)CC2)cc1 ZINC000072435603 216230835 /nfs/dbraw/zinc/23/08/35/216230835.db2.gz 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[NH3+]CC1CCN(c2cc(-c3ccccc3F)nc3ccnn32)CC1 ZINC000072479160 216259200 /nfs/dbraw/zinc/25/92/00/216259200.db2.gz QWJZRGKWJJYZNU-UHFFFAOYSA-N 1 0 325.391 2.711 50 0 EFAARO COc1cc2[nH+]c(NCCCN3CCOCC3)cc(C)c2c(OC)c1 ZINC000023550221 212383051 /nfs/dbraw/zinc/38/30/51/212383051.db2.gz CFFLVCIFKAVXQJ-UHFFFAOYSA-N 1 0 345.443 2.695 50 0 EFAARO COc1cc(C[NH2+][C@H]2COc3c(cccc3OC)C2)cc2c1OCO2 ZINC000023340532 212369562 /nfs/dbraw/zinc/36/95/62/212369562.db2.gz XLEBDICIUVMPGY-CQSZACIVSA-N 1 0 343.379 2.526 50 0 EFAARO COc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC000023105592 212348727 /nfs/dbraw/zinc/34/87/27/212348727.db2.gz DKBFAEMLRGZJKG-AWEZNQCLSA-N 1 0 348.468 2.727 50 0 EFAARO OCc1cn(C2CC[NH+](C/C=C/C=C/c3ccc(F)cc3)CC2)nn1 ZINC000023145490 212356053 /nfs/dbraw/zinc/35/60/53/212356053.db2.gz JIADMKACEKOLEE-ZPUQHVIOSA-N 1 0 342.418 2.816 50 0 EFAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1ccc2c(c1)OCO2 ZINC000023128035 212352456 /nfs/dbraw/zinc/35/24/56/212352456.db2.gz YPCFQVWHDCYLKS-UHFFFAOYSA-N 1 0 342.395 2.650 50 0 EFAARO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000022462470 212299977 /nfs/dbraw/zinc/29/99/77/212299977.db2.gz WZPGYGWJUHCARQ-SFHVURJKSA-N 1 0 345.487 2.814 50 0 EFAARO Cn1c(CN2CC[N@H+](CC3CC3)[C@H](CCO)C2)cc2cc(F)ccc21 ZINC000216031480 240230931 /nfs/dbraw/zinc/23/09/31/240230931.db2.gz HCBLPAARALVTAV-GOSISDBHSA-N 1 0 345.462 2.596 50 0 EFAARO Cc1ncn(CCNC(=O)CSc2nc3cc(C)ccc3[nH]2)c1C ZINC000216032585 240231062 /nfs/dbraw/zinc/23/10/62/240231062.db2.gz OITQFKZQKRJZSZ-UHFFFAOYSA-N 1 0 343.456 2.593 50 0 EFAARO COc1cc(C[NH2+]CCN(C)C)ccc1OCCc1ccccc1 ZINC000022107710 212277606 /nfs/dbraw/zinc/27/76/06/212277606.db2.gz PQZDJRXNCVDQAJ-UHFFFAOYSA-N 1 0 328.456 2.968 50 0 EFAARO CS(=O)(=O)c1ccc(CN2CCCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000215033080 241102096 /nfs/dbraw/zinc/10/20/96/241102096.db2.gz VNXWLYHQYWHFTP-QGZVFWFLSA-N 1 0 336.501 2.540 50 0 EFAARO COC[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000215086547 241104051 /nfs/dbraw/zinc/10/40/51/241104051.db2.gz GAVCKRDWPPAFSE-MRXNPFEDSA-N 1 0 341.455 2.540 50 0 EFAARO Clc1cncc(Cl)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000215204131 241110603 /nfs/dbraw/zinc/11/06/03/241110603.db2.gz JZBYTNHRSDPWHY-UHFFFAOYSA-N 1 0 330.259 2.685 50 0 EFAARO O=C(C[C@H]1C[NH2+]CCO1)N1CCC(CCCc2ccccc2)CC1 ZINC000215242010 241114411 /nfs/dbraw/zinc/11/44/11/241114411.db2.gz ARSCDARBASSXOZ-IBGZPJMESA-N 1 0 330.472 2.626 50 0 EFAARO c1ccc(-c2ncc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)cn2)nc1 ZINC000215351028 241119687 /nfs/dbraw/zinc/11/96/87/241119687.db2.gz RXNGNGYLKRLCJH-INIZCTEOSA-N 1 0 332.411 2.708 50 0 EFAARO COc1cc(C[N@@H+]2CC[C@@](O)(c3ccccc3C)C2)cc2c1OCO2 ZINC000215327343 241119823 /nfs/dbraw/zinc/11/98/23/241119823.db2.gz DKAMILIJGCZFCI-FQEVSTJZSA-N 1 0 341.407 2.826 50 0 EFAARO c1cnn(-c2cccc(CN3CC[NH+](C4CCSCC4)CC3)c2)c1 ZINC000215708754 241139083 /nfs/dbraw/zinc/13/90/83/241139083.db2.gz AEOZHXQEKKNLPF-UHFFFAOYSA-N 1 0 342.512 2.886 50 0 EFAARO COc1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c2c(OC)cccc12 ZINC000215780171 241148964 /nfs/dbraw/zinc/14/89/64/241148964.db2.gz ABFQUBXIFARSRD-HNNXBMFYSA-N 1 0 328.412 2.567 50 0 EFAARO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)cc(=O)[nH]1 ZINC000215959512 241157981 /nfs/dbraw/zinc/15/79/81/241157981.db2.gz NOLOEYIOONASER-GOSISDBHSA-N 1 0 339.439 2.640 50 0 EFAARO Cc1ccccc1-c1ccc(CN2CC[NH+](CCC(N)=O)CC2)cc1 ZINC000216221610 241175145 /nfs/dbraw/zinc/17/51/45/241175145.db2.gz XEERUGJWFZCAQQ-UHFFFAOYSA-N 1 0 337.467 2.655 50 0 EFAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000216249871 241177971 /nfs/dbraw/zinc/17/79/71/241177971.db2.gz YDMQGLQRSHFMKY-LBPRGKRZSA-N 1 0 333.819 2.792 50 0 EFAARO OCc1ccccc1CN1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000216390998 241188140 /nfs/dbraw/zinc/18/81/40/241188140.db2.gz NEVXMYMHYIPEGO-UHFFFAOYSA-N 1 0 335.451 2.978 50 0 EFAARO CC1=CC[N@H+](Cc2ccccc2OCCCN2CCOCC2)CC1 ZINC000216473784 241195710 /nfs/dbraw/zinc/19/57/10/241195710.db2.gz SLWFJBMBKZLUGP-UHFFFAOYSA-N 1 0 330.472 2.940 50 0 EFAARO OC1(c2cccnc2)CC[NH+](Cc2cccc(Cn3cccn3)c2)CC1 ZINC000215455349 241126161 /nfs/dbraw/zinc/12/61/61/241126161.db2.gz IAWSVIDQCLKXAG-UHFFFAOYSA-N 1 0 348.450 2.810 50 0 EFAARO C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C[C@@H]1COCCO1 ZINC000215448893 241126511 /nfs/dbraw/zinc/12/65/11/241126511.db2.gz FIRVUNFEGRTMMI-LJQANCHMSA-N 1 0 328.412 2.508 50 0 EFAARO Cn1ccc2ccc(C[NH+]3CCN(Cc4ccccc4CO)CC3)cc21 ZINC000215473166 241128846 /nfs/dbraw/zinc/12/88/46/241128846.db2.gz WCPFGTVPHHUJDA-UHFFFAOYSA-N 1 0 349.478 2.988 50 0 EFAARO Cc1cc(C)c(C[N@@H+]2CCC[C@@](C)(C(N)=O)C2)c(-n2cccn2)c1 ZINC000215649735 241136594 /nfs/dbraw/zinc/13/65/94/241136594.db2.gz MLSBSNKBWHPWOS-LJQANCHMSA-N 1 0 326.444 2.577 50 0 EFAARO O[C@@H](Cn1c2ccccc2c2cc(Cl)ccc21)CN1CC[NH2+]CC1 ZINC000022063807 212274321 /nfs/dbraw/zinc/27/43/21/212274321.db2.gz VKKSFIKVBRODPF-OAHLLOKOSA-N 1 0 343.858 2.714 50 0 EFAARO C[N@H+](Cc1ccco1)Cc1cccc(OCCN2CCOCC2)c1 ZINC000219103397 241365592 /nfs/dbraw/zinc/36/55/92/241365592.db2.gz OWCCRQQBXLDTFE-UHFFFAOYSA-N 1 0 330.428 2.623 50 0 EFAARO COCc1nc(NCCc2ccccc2F)cc(C2CC([NH3+])C2)n1 ZINC000219297981 241377373 /nfs/dbraw/zinc/37/73/73/241377373.db2.gz MJWBOXSDMQJBOR-UHFFFAOYSA-N 1 0 330.407 2.621 50 0 EFAARO C[C@@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1cn2ccsc2n1 ZINC000219353578 241383482 /nfs/dbraw/zinc/38/34/82/241383482.db2.gz MMUOLDOCSALIIP-CYBMUJFWSA-N 1 0 332.473 2.982 50 0 EFAARO C[C@H]1OCC[C@]1(O)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000228053047 242136111 /nfs/dbraw/zinc/13/61/11/242136111.db2.gz FQLGNPFXDKBPJA-SNBTVBLJSA-N 1 0 340.261 2.825 50 0 EFAARO Cc1cc(F)ccc1NC(=O)C[N@H+](C)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000244715902 243064258 /nfs/dbraw/zinc/06/42/58/243064258.db2.gz LEHFPJYIMDUABB-CQSZACIVSA-N 1 0 349.450 2.651 50 0 EFAARO C[C@@H](Cc1cnccn1)[N@H+](C)CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000244601802 243040834 /nfs/dbraw/zinc/04/08/34/243040834.db2.gz DRZUUJFMMZVXKT-HNNXBMFYSA-N 1 0 338.455 2.857 50 0 EFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1nncn1C1CCCCC1 ZINC000244691544 243056805 /nfs/dbraw/zinc/05/68/05/243056805.db2.gz JEROBEDACBPCTA-OAHLLOKOSA-N 1 0 333.480 2.664 50 0 EFAARO C[N@H+](CCC1(O)CCCC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000244700998 243059027 /nfs/dbraw/zinc/05/90/27/243059027.db2.gz JYCVJCKBXFBJCG-FQEVSTJZSA-N 1 0 346.515 2.905 50 0 EFAARO Cn1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCc2cccc(O)c2)n1 ZINC000244748786 243076440 /nfs/dbraw/zinc/07/64/40/243076440.db2.gz OOGOLNZGLSCONS-MRXNPFEDSA-N 1 0 342.443 2.552 50 0 EFAARO CCN(CCn1cccn1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244773915 243078218 /nfs/dbraw/zinc/07/82/18/243078218.db2.gz PIRGIQFXFRPVOK-LJQANCHMSA-N 1 0 340.471 2.786 50 0 EFAARO CC(=O)c1cccc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c1 ZINC000020780683 212171602 /nfs/dbraw/zinc/17/16/02/212171602.db2.gz XQJIEPDZCCXCRQ-IBGZPJMESA-N 1 0 332.488 2.804 50 0 EFAARO Cc1n[nH]cc1CN(C)C(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000244817040 243084186 /nfs/dbraw/zinc/08/41/86/243084186.db2.gz STJVEGZCOCIOLS-UHFFFAOYSA-N 1 0 340.471 2.979 50 0 EFAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccncc3)no2)c1 ZINC000244817033 243084386 /nfs/dbraw/zinc/08/43/86/243084386.db2.gz STGCPZOFXDANTH-INIZCTEOSA-N 1 0 338.415 2.773 50 0 EFAARO C[N@@H+]1CCCN(C(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)CC1 ZINC000244817136 243088464 /nfs/dbraw/zinc/08/84/64/243088464.db2.gz SUUOLOGGJJNUHQ-SFHVURJKSA-N 1 0 333.451 2.517 50 0 EFAARO Cc1cc2ncn(Cc3nnc([C@H]4C[C@H]([NH3+])C4)n3C3CC3)c2cc1C ZINC000244882826 243096638 /nfs/dbraw/zinc/09/66/38/243096638.db2.gz XZTHYGIQFOXARW-HDJSIYSDSA-N 1 0 336.443 2.833 50 0 EFAARO Cc1cc(C)n(-c2ccccc2C[N@@H+](C)C[C@H](C)N2CCOCC2)n1 ZINC000244723867 243070631 /nfs/dbraw/zinc/07/06/31/243070631.db2.gz MIYGUMIXYWVWRM-SFHVURJKSA-N 1 0 342.487 2.642 50 0 EFAARO c1ccc2c(c1)CC(N1CCC[C@@H]([NH2+]Cc3ccc4nonc4c3)C1)C2 ZINC000020777794 212169461 /nfs/dbraw/zinc/16/94/61/212169461.db2.gz DXIFJDGLWVZRBJ-GOSISDBHSA-N 1 0 348.450 2.944 50 0 EFAARO CSc1cccc(C[NH+]2CCC(Cn3cc([C@@H](C)O)nn3)CC2)c1 ZINC000020598881 212151449 /nfs/dbraw/zinc/15/14/49/212151449.db2.gz IHVYDEYHIPSSQM-CQSZACIVSA-N 1 0 346.500 2.966 50 0 EFAARO c1cc(C[NH+]2CCC(n3cc(CN4CCCC4)nn3)CC2)cs1 ZINC000020543415 212146117 /nfs/dbraw/zinc/14/61/17/212146117.db2.gz FXICDDZYHJSXCO-UHFFFAOYSA-N 1 0 331.489 2.773 50 0 EFAARO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020513317 212142366 /nfs/dbraw/zinc/14/23/66/212142366.db2.gz RNNOKIKKQIIXCX-IBGZPJMESA-N 1 0 326.440 2.557 50 0 EFAARO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(=O)c4cccc(F)c4[nH]3)C2)[nH]1 ZINC000253536448 244012256 /nfs/dbraw/zinc/01/22/56/244012256.db2.gz FXFKKZKEUUCSKZ-LBPRGKRZSA-N 1 0 341.390 2.886 50 0 EFAARO Cc1c[nH]c(CN(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)c(C)c1=O ZINC000253536376 244013073 /nfs/dbraw/zinc/01/30/73/244013073.db2.gz DKGZZFYUNQEIIR-SFHVURJKSA-N 1 0 325.456 2.893 50 0 EFAARO CCc1cc(OCCOCCN2CC[NH+](CC)CC2)ccc1Cl ZINC000020390144 212124475 /nfs/dbraw/zinc/12/44/75/212124475.db2.gz YNHMYGBTYCOACU-UHFFFAOYSA-N 1 0 340.895 2.935 50 0 EFAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)C2 ZINC000020232651 212114023 /nfs/dbraw/zinc/11/40/23/212114023.db2.gz WVSBVABRCTYQEC-KRWDZBQOSA-N 1 0 326.396 2.747 50 0 EFAARO OCC1CC[NH+]([C@@H]2CCCN(Cc3cccc4cnccc43)C2)CC1 ZINC000020235256 212113179 /nfs/dbraw/zinc/11/31/79/212113179.db2.gz JHYHCIXQBKLUTK-HXUWFJFHSA-N 1 0 339.483 2.904 50 0 EFAARO Cc1nn(C(C)C)c(C)c1CN1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000020166647 212108172 /nfs/dbraw/zinc/10/81/72/212108172.db2.gz OKKQBNDJKAPJTM-IBGZPJMESA-N 1 0 348.535 2.892 50 0 EFAARO CCCCc1nc(-c2nc3c[nH]n(C4CC[NH+](C)CC4)c-3n2)c[nH]1 ZINC000020202113 212110818 /nfs/dbraw/zinc/11/08/18/212110818.db2.gz XRJMPPSMXZKWSD-UHFFFAOYSA-N 1 0 327.436 2.759 50 0 EFAARO C[NH+]1CCN(CCOCCOc2ccccc2-c2ccccc2)CC1 ZINC000020118186 212102766 /nfs/dbraw/zinc/10/27/66/212102766.db2.gz PRSHHYBWVKSDRO-UHFFFAOYSA-N 1 0 340.467 2.996 50 0 EFAARO Cc1cccc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)n1 ZINC000019952035 212089349 /nfs/dbraw/zinc/08/93/49/212089349.db2.gz FRKYZXMWWDODMG-FQEVSTJZSA-N 1 0 331.504 2.839 50 0 EFAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000019872110 212077482 /nfs/dbraw/zinc/07/74/82/212077482.db2.gz BGXAAVCLMBIUIZ-DJJJIMSYSA-N 1 0 331.412 2.924 50 0 EFAARO Cc1ccc(COc2cccc(C[NH2+]CCN3CCOCC3)c2)cc1 ZINC000019872409 212077761 /nfs/dbraw/zinc/07/77/61/212077761.db2.gz NWNZWNUCYRYQFU-UHFFFAOYSA-N 1 0 340.467 2.996 50 0 EFAARO CCN1CCN(C(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000019823718 212073427 /nfs/dbraw/zinc/07/34/27/212073427.db2.gz JZWXCFRXODOFEK-UHFFFAOYSA-N 1 0 349.906 2.716 50 0 EFAARO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000019790832 212068001 /nfs/dbraw/zinc/06/80/01/212068001.db2.gz BJQSCPITXWCKMW-FQEVSTJZSA-N 1 0 340.467 2.865 50 0 EFAARO O=C1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 ZINC000019790689 212068015 /nfs/dbraw/zinc/06/80/15/212068015.db2.gz VSJHOQPEROZCOF-OAHLLOKOSA-N 1 0 332.762 2.901 50 0 EFAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1cccn1-c1ccccn1)C2 ZINC000019792770 212067590 /nfs/dbraw/zinc/06/75/90/212067590.db2.gz XFMAQRPBNSMFNP-INIZCTEOSA-N 1 0 335.407 2.974 50 0 EFAARO Cc1cc(C)c(OCCOCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000019792605 212067337 /nfs/dbraw/zinc/06/73/37/212067337.db2.gz YPDFVIZRPIOETL-UHFFFAOYSA-N 1 0 326.868 2.600 50 0 EFAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000019731058 212057837 /nfs/dbraw/zinc/05/78/37/212057837.db2.gz YUXYONMCUSCGKB-HNNXBMFYSA-N 1 0 334.464 2.541 50 0 EFAARO COc1cccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c1OC ZINC000019606711 212051408 /nfs/dbraw/zinc/05/14/08/212051408.db2.gz DRZNODKILSSITQ-SFHVURJKSA-N 1 0 348.487 2.515 50 0 EFAARO O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019607539 212051169 /nfs/dbraw/zinc/05/11/69/212051169.db2.gz VOSYHOZJDBJOCD-SFHVURJKSA-N 1 0 346.858 2.902 50 0 EFAARO COc1ccc(OCC(=O)N2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000019556778 212042828 /nfs/dbraw/zinc/04/28/28/212042828.db2.gz KMMKMYRTVBSPHY-KRWDZBQOSA-N 1 0 344.455 2.575 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000019533475 212039188 /nfs/dbraw/zinc/03/91/88/212039188.db2.gz LEFMFIUYTZNGGI-XKQJLSEDSA-N 1 0 330.428 2.886 50 0 EFAARO OCCC[NH+]1CCN(CCOc2ccccc2-c2ccccc2)CC1 ZINC000019369476 212022648 /nfs/dbraw/zinc/02/26/48/212022648.db2.gz SBIJRHPCAYDIEE-UHFFFAOYSA-N 1 0 340.467 2.732 50 0 EFAARO C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000082096394 217463153 /nfs/dbraw/zinc/46/31/53/217463153.db2.gz QMBKTEJMHBGRCV-CQSZACIVSA-N 1 0 336.501 2.882 50 0 EFAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000082134454 217474393 /nfs/dbraw/zinc/47/43/93/217474393.db2.gz NJKRMGCUMYBMTN-LJQANCHMSA-N 1 0 342.414 2.766 50 0 EFAARO Cc1ccnc([C@@H](NC(=O)c2cccc(OCC[NH3+])c2)C2CC2)c1 ZINC000426382831 247272053 /nfs/dbraw/zinc/27/20/53/247272053.db2.gz XLSKXHCVLGWNKF-SFHVURJKSA-N 1 0 325.412 2.609 50 0 EFAARO Cn1c(CC[NH3+])nnc1SCc1cc(C(F)(F)F)ccc1F ZINC000426386929 247272248 /nfs/dbraw/zinc/27/22/48/247272248.db2.gz QFOCEMZRZGMQLA-UHFFFAOYSA-N 1 0 334.342 2.767 50 0 EFAARO CN(CC[C@H](O)c1ccccc1)C(=O)NCC(C)(C)[NH+]1CCCC1 ZINC000426475308 247285508 /nfs/dbraw/zinc/28/55/08/247285508.db2.gz BIDVXWZQOLXBCL-KRWDZBQOSA-N 1 0 333.476 2.626 50 0 EFAARO Cc1ccc2[nH]c(CNC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)nc2c1 ZINC000426492740 247286620 /nfs/dbraw/zinc/28/66/20/247286620.db2.gz DKTUXQNLDQCVDC-HNNXBMFYSA-N 1 0 341.459 2.641 50 0 EFAARO COc1ccccc1-c1ncc(CSc2nnc(C[NH3+])n2C)s1 ZINC000426489380 247286902 /nfs/dbraw/zinc/28/69/02/247286902.db2.gz PEKMQWXUYXTTIK-UHFFFAOYSA-N 1 0 347.469 2.698 50 0 EFAARO C[C@@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)Oc1cccnc1 ZINC000426488478 247287595 /nfs/dbraw/zinc/28/75/95/247287595.db2.gz SCWAYGKIKKBVDA-INIZCTEOSA-N 1 0 346.475 2.509 50 0 EFAARO C[C@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)Oc1cccnc1 ZINC000426488480 247287683 /nfs/dbraw/zinc/28/76/83/247287683.db2.gz SCWAYGKIKKBVDA-MRXNPFEDSA-N 1 0 346.475 2.509 50 0 EFAARO CO[C@]12CC[N@H+](Cc3[nH]cnc3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426510602 247290423 /nfs/dbraw/zinc/29/04/23/247290423.db2.gz IGPLYHLTFAXFHP-VDZJLULYSA-N 1 0 342.443 2.704 50 0 EFAARO Cc1ccccc1[C@H](O)CNC(=O)NCCCC[NH+]1CCCCCC1 ZINC000426728265 247293391 /nfs/dbraw/zinc/29/33/91/247293391.db2.gz KQHHUHZEOQBDNY-LJQANCHMSA-N 1 0 347.503 2.984 50 0 EFAARO O=C(NCc1cc2ccccc2s1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000426734284 247293924 /nfs/dbraw/zinc/29/39/24/247293924.db2.gz KMZCRUQVULXOSD-KRWDZBQOSA-N 1 0 343.496 2.734 50 0 EFAARO Cc1cccc([C@H](NC(=O)Cc2ccc(OCC[NH3+])cc2)C2CC2)n1 ZINC000426737336 247294332 /nfs/dbraw/zinc/29/43/32/247294332.db2.gz DTBFBYAGJQYBMB-HXUWFJFHSA-N 1 0 339.439 2.538 50 0 EFAARO O=C(N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1ccccc1 ZINC000012430568 211378868 /nfs/dbraw/zinc/37/88/68/211378868.db2.gz QPDVQEYKIMJYGZ-LJQANCHMSA-N 1 0 348.446 2.617 50 0 EFAARO CC(C)C[NH+]1CCC([C@@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC000012430353 211377474 /nfs/dbraw/zinc/37/74/74/211377474.db2.gz DTVFDXWIRVELJM-GOSISDBHSA-N 1 0 344.503 2.626 50 0 EFAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)cc1F ZINC000012454585 211386908 /nfs/dbraw/zinc/38/69/08/211386908.db2.gz NTZAJRQVAOOZIR-OAHLLOKOSA-N 1 0 345.418 2.971 50 0 EFAARO CC[NH+](CC)CCCNC(=O)c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000012406838 211370733 /nfs/dbraw/zinc/37/07/33/211370733.db2.gz JFGFEFVLCVYRLR-UHFFFAOYSA-N 1 0 341.415 2.680 50 0 EFAARO CN(C(=O)c1coc(COc2ccccc2F)n1)C1CC[NH+](C)CC1 ZINC000012386849 211365512 /nfs/dbraw/zinc/36/55/12/211365512.db2.gz DIMMQGLIDVKZEX-UHFFFAOYSA-N 1 0 347.390 2.559 50 0 EFAARO CCNC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000012387028 211364225 /nfs/dbraw/zinc/36/42/25/211364225.db2.gz ICFUQGWFYIKFOG-KRWDZBQOSA-N 1 0 333.476 2.611 50 0 EFAARO COc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000012348983 211354345 /nfs/dbraw/zinc/35/43/45/211354345.db2.gz OCAJBVSDKOWPBB-CQSZACIVSA-N 1 0 334.441 2.798 50 0 EFAARO CC1(C)CC(NC(=O)c2nc(-c3ccc(F)cc3)no2)CC(C)(C)[NH2+]1 ZINC000012323447 211347912 /nfs/dbraw/zinc/34/79/12/211347912.db2.gz BLJAVSPJOVSTJA-UHFFFAOYSA-N 1 0 346.406 2.915 50 0 EFAARO O=C(CCc1ccccn1)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012320775 211346506 /nfs/dbraw/zinc/34/65/06/211346506.db2.gz YLXWTTHLJSYMPF-HXUWFJFHSA-N 1 0 349.478 2.762 50 0 EFAARO CCCCNC(=O)c1sc2ncnc(NCC[NH+](C)C)c2c1C ZINC000012190653 211315783 /nfs/dbraw/zinc/31/57/83/211315783.db2.gz RLIKWTCQDBWVMD-UHFFFAOYSA-N 1 0 335.477 2.503 50 0 EFAARO O=C(C[NH+]1CCCCC1)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000012051612 211282626 /nfs/dbraw/zinc/28/26/26/211282626.db2.gz LGKJMVRWPHFNEE-GOSISDBHSA-N 1 0 349.906 2.907 50 0 EFAARO CCn1cncc1C[NH+]1CCC2(CC(=O)N(CC=C(C)C)C2)CC1 ZINC000091505565 218014731 /nfs/dbraw/zinc/01/47/31/218014731.db2.gz WYYRRHKBQUUAFF-UHFFFAOYSA-N 1 0 330.476 2.684 50 0 EFAARO Cc1ccccc1NC(=O)c1cn(CC[NH2+]C[C@H]2CC=CCC2)nn1 ZINC000011996249 211278320 /nfs/dbraw/zinc/27/83/20/211278320.db2.gz POFWYKRARHEKCV-INIZCTEOSA-N 1 0 339.443 2.785 50 0 EFAARO Cc1ccccc1NC(=O)c1cn(CC[NH2+]C[C@@H]2CC=CCC2)nn1 ZINC000011996250 211277754 /nfs/dbraw/zinc/27/77/54/211277754.db2.gz POFWYKRARHEKCV-MRXNPFEDSA-N 1 0 339.443 2.785 50 0 EFAARO Cc1cc(=O)oc2cc(OC[C@H](O)C[N@H+]3CCCC[C@H]3C)ccc12 ZINC000011990922 211276085 /nfs/dbraw/zinc/27/60/85/211276085.db2.gz KYKUPUDMOQVOCQ-HUUCEWRRSA-N 1 0 331.412 2.716 50 0 EFAARO Cc1nccn1Cc1nnc(C2CC[NH+](CCC(C)(C)C)CC2)n1C ZINC000091416694 218002096 /nfs/dbraw/zinc/00/20/96/218002096.db2.gz BWEZMOWOSZPVLP-UHFFFAOYSA-N 1 0 344.507 2.984 50 0 EFAARO Cc1cc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)on1 ZINC000091410708 218002481 /nfs/dbraw/zinc/00/24/81/218002481.db2.gz KHFWNSCFQKQTBB-UHFFFAOYSA-N 1 0 343.475 2.712 50 0 EFAARO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cn2ccsc2n1 ZINC000091425315 218003894 /nfs/dbraw/zinc/00/38/94/218003894.db2.gz NKNADUYODXOWOP-HNNXBMFYSA-N 1 0 340.452 2.963 50 0 EFAARO O=C1CCC2(CC[NH2+]CC2)CN1CCOCc1ccc(Cl)cc1 ZINC000091445156 218007592 /nfs/dbraw/zinc/00/75/92/218007592.db2.gz AFUVICBXMVVBMT-UHFFFAOYSA-N 1 0 336.863 2.849 50 0 EFAARO CCc1nnc(Cn2cc(-c3cc(C[NH+](C)C)cs3)nn2)s1 ZINC000091469083 218010760 /nfs/dbraw/zinc/01/07/60/218010760.db2.gz SNBATBQOZYDTQF-UHFFFAOYSA-N 1 0 334.474 2.530 50 0 EFAARO Cc1nn(C)cc1C[N@@H+]1C[C@H](NC(=O)CC2CCCC2)[C@@H](C2CC2)C1 ZINC000091493645 218013968 /nfs/dbraw/zinc/01/39/68/218013968.db2.gz XMLYBESCXDOQGL-MOPGFXCFSA-N 1 0 344.503 2.635 50 0 EFAARO O[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C(F)(F)F)cc1F)CC2 ZINC000091505298 218015777 /nfs/dbraw/zinc/01/57/77/218015777.db2.gz BRGIXETXNAPEAG-OKILXGFUSA-N 1 0 333.325 2.552 50 0 EFAARO CC(C)[N@@H+]1C[C@H](O)[C@@H](NC(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000091505459 218015865 /nfs/dbraw/zinc/01/58/65/218015865.db2.gz UVSPYDMBIGBZOZ-GJZGRUSLSA-N 1 0 348.830 2.783 50 0 EFAARO Cc1n[nH]c(C)c1CCC[NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091504603 218016037 /nfs/dbraw/zinc/01/60/37/218016037.db2.gz HAWQMYOZAVJAAU-UHFFFAOYSA-N 1 0 328.391 2.730 50 0 EFAARO O=C1NCCC[C@@]12CC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C2 ZINC000091625795 218034369 /nfs/dbraw/zinc/03/43/69/218034369.db2.gz SCSKOIHJECNVIT-HNNXBMFYSA-N 1 0 330.325 2.947 50 0 EFAARO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000091519091 218016341 /nfs/dbraw/zinc/01/63/41/218016341.db2.gz GHOBTEKTCSTWRK-OAHLLOKOSA-N 1 0 328.464 2.572 50 0 EFAARO C[C@@H]1C[N@H+](CCOCc2ccccc2)CC[C@@]1(O)C1CCOCC1 ZINC000091536962 218019255 /nfs/dbraw/zinc/01/92/55/218019255.db2.gz XKQPHNXGPADPPR-XLIONFOSSA-N 1 0 333.472 2.703 50 0 EFAARO OC[C@H]1CN(Cc2ccc(F)c(F)c2F)C[C@H]1C[NH+]1CCCCC1 ZINC000091548296 218020484 /nfs/dbraw/zinc/02/04/84/218020484.db2.gz ZFZCYOUYAKXZMI-HUUCEWRRSA-N 1 0 342.405 2.630 50 0 EFAARO O=C1CCC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)CN1CCO ZINC000091574221 218023895 /nfs/dbraw/zinc/02/38/95/218023895.db2.gz XMTXLNYTYBSUSY-UHFFFAOYSA-N 1 0 336.863 2.537 50 0 EFAARO Cc1cc(C)n(-c2cccc(CN3CCO[C@H](CC[NH+](C)C)C3)c2)n1 ZINC000011842047 211256458 /nfs/dbraw/zinc/25/64/58/211256458.db2.gz BAZSFEWFTWSRJM-HXUWFJFHSA-N 1 0 342.487 2.642 50 0 EFAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](CCCn3cccn3)C2)c1 ZINC000011839537 211254073 /nfs/dbraw/zinc/25/40/73/211254073.db2.gz RDIACIQRSKGRAP-FQEVSTJZSA-N 1 0 343.471 2.599 50 0 EFAARO C[N@H+](C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O)C1CCCCC1 ZINC000011840052 211253694 /nfs/dbraw/zinc/25/36/94/211253694.db2.gz ZDZRWTNTATURDC-FQEVSTJZSA-N 1 0 348.462 2.944 50 0 EFAARO Cc1ccc(C[NH2+]C[C@]2(O)CCCN(Cc3cccc(C)c3)C2=O)o1 ZINC000011717333 211240489 /nfs/dbraw/zinc/24/04/89/211240489.db2.gz IHSSAIPSDIDCLK-HXUWFJFHSA-N 1 0 342.439 2.540 50 0 EFAARO Cc1ccc([C@@H](CNC(=O)c2cc(CC(C)C)nn2C)[NH+](C)C)cc1 ZINC000091691333 218048205 /nfs/dbraw/zinc/04/82/05/218048205.db2.gz JSARIVYFNVJBBK-LJQANCHMSA-N 1 0 342.487 2.960 50 0 EFAARO CCc1cnc(N)nc1N(C)Cc1ccccc1C[NH+]1CCCC1 ZINC000091695557 218050282 /nfs/dbraw/zinc/05/02/82/218050282.db2.gz JSLYYXKQAJMGLI-UHFFFAOYSA-N 1 0 325.460 2.853 50 0 EFAARO Cc1ccc(C(=O)NCCNc2ccc(Nc3cc[nH+]cc3)nn2)cc1 ZINC000011697766 211238823 /nfs/dbraw/zinc/23/88/23/211238823.db2.gz DLHAVBCXGNPVSV-UHFFFAOYSA-N 1 0 348.410 2.766 50 0 EFAARO CCN1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000011815534 211250290 /nfs/dbraw/zinc/25/02/90/211250290.db2.gz WMTZUJAHPJJWJY-UHFFFAOYSA-N 1 0 343.515 2.542 50 0 EFAARO Cn1c(Cn2ccnc2)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000091635722 218037164 /nfs/dbraw/zinc/03/71/64/218037164.db2.gz GTACNZNHAGUNFM-UHFFFAOYSA-N 1 0 328.464 2.572 50 0 EFAARO Cc1c2ccc(C)cc2oc1C(=O)N1CCOC[C@H](C[NH+](C)C)C1 ZINC000091644628 218037862 /nfs/dbraw/zinc/03/78/62/218037862.db2.gz ZAPVVWRKKVPDQC-OAHLLOKOSA-N 1 0 330.428 2.700 50 0 EFAARO Cc1ccc2nc(C(=O)NCCC[NH+]3Cc4ccccc4C3)cn2c1 ZINC000091645656 218038760 /nfs/dbraw/zinc/03/87/60/218038760.db2.gz AFIAYZIVTSJTAE-UHFFFAOYSA-N 1 0 334.423 2.778 50 0 EFAARO Cc1ccsc1[C@@H](Cn1cc(-c2ccc(CO)o2)nn1)[NH+](C)C ZINC000091650891 218040220 /nfs/dbraw/zinc/04/02/20/218040220.db2.gz GDAIAULMGFSVBF-CQSZACIVSA-N 1 0 332.429 2.703 50 0 EFAARO c1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)ccn1 ZINC000011753378 211243958 /nfs/dbraw/zinc/24/39/58/211243958.db2.gz JSIALFIYUILRSW-QGZVFWFLSA-N 1 0 325.412 2.929 50 0 EFAARO COCC[NH+]1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000091664995 218044610 /nfs/dbraw/zinc/04/46/10/218044610.db2.gz NDHDQJXYFUXXIE-VMPITWQZSA-N 1 0 328.456 2.661 50 0 EFAARO CCCn1ccnc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091677641 218045375 /nfs/dbraw/zinc/04/53/75/218045375.db2.gz MLWLXGSXUNCGOM-RBUKOAKNSA-N 1 0 339.487 2.785 50 0 EFAARO CC(C)=CCN1CC2(CC1=O)CC[NH+](CCc1ccccn1)CC2 ZINC000091678528 218046091 /nfs/dbraw/zinc/04/60/91/218046091.db2.gz IJHFCJQXOHKFIB-UHFFFAOYSA-N 1 0 327.472 2.905 50 0 EFAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)c3ccccc3Cl)C2)CC1 ZINC000011661394 211230261 /nfs/dbraw/zinc/23/02/61/211230261.db2.gz AFJWELJCVSMKQZ-AWEZNQCLSA-N 1 0 335.879 2.628 50 0 EFAARO CN(C(=O)c1csc2nc(-c3ccccc3)cn12)[C@H]1CC[N@H+](C)C1 ZINC000011663368 211229493 /nfs/dbraw/zinc/22/94/93/211229493.db2.gz PDNBVNXLFBWCCE-AWEZNQCLSA-N 1 0 340.452 2.839 50 0 EFAARO NC(=O)c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3ccco3)cc(=O)c2c1 ZINC000091770785 218063499 /nfs/dbraw/zinc/06/34/99/218063499.db2.gz GZXHFYBCNLLDFY-MRXNPFEDSA-N 1 0 337.379 2.557 50 0 EFAARO Cc1cc(C[NH+]2CCC3(CCC(=O)N(C[C@@H](C)O)C3)CC2)ccc1F ZINC000091931979 218090700 /nfs/dbraw/zinc/09/07/00/218090700.db2.gz MEHTYZMNSUTTBV-MRXNPFEDSA-N 1 0 348.462 2.720 50 0 EFAARO Cc1cccc(OC2CN(C(=O)[C@H]([NH3+])Cc3c[nH]c4ccccc34)C2)c1 ZINC000091943853 218092020 /nfs/dbraw/zinc/09/20/20/218092020.db2.gz URUQANCKWOKGQI-LJQANCHMSA-N 1 0 349.434 2.636 50 0 EFAARO CCCOc1ccccc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000091845664 218075074 /nfs/dbraw/zinc/07/50/74/218075074.db2.gz BCOGDRCVYACTLM-UHFFFAOYSA-N 1 0 346.471 2.660 50 0 EFAARO CC[C@@H](C(=O)N(C)Cc1cnn(-c2ccccc2)c1)[NH+]1CCCC1 ZINC000091847974 218076078 /nfs/dbraw/zinc/07/60/78/218076078.db2.gz ZNURNFGUTYQZOW-SFHVURJKSA-N 1 0 326.444 2.705 50 0 EFAARO O=C(COc1ccc(Cl)cc1Cl)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000091907218 218087481 /nfs/dbraw/zinc/08/74/81/218087481.db2.gz OPDNEDMNCURJIU-GXFFZTMASA-N 1 0 329.227 2.583 50 0 EFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ncc[nH]2)C3)cc1 ZINC000092045587 218109603 /nfs/dbraw/zinc/10/96/03/218109603.db2.gz GRTDYRWNAXPWTG-DLBZAZTESA-N 1 0 326.444 2.515 50 0 EFAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2ccccc2OCCO)C1 ZINC000091943072 218092843 /nfs/dbraw/zinc/09/28/43/218092843.db2.gz JDYFYXULWDUBOU-HXUWFJFHSA-N 1 0 333.472 2.989 50 0 EFAARO CCc1c(C)[nH+]c(N)nc1NCc1nc(C)cc(C(F)(F)F)n1 ZINC000091965303 218095745 /nfs/dbraw/zinc/09/57/45/218095745.db2.gz BRXOTTVJJWXLSD-UHFFFAOYSA-N 1 0 326.326 2.659 50 0 EFAARO O=C1[C@H](c2ccccc2)CC2(CC[NH+](CCCO)CC2)CN1C1CC1 ZINC000092065320 218113007 /nfs/dbraw/zinc/11/30/07/218113007.db2.gz MVFRPSVVIITROM-IBGZPJMESA-N 1 0 342.483 2.630 50 0 EFAARO Cn1c(Cn2ccnc2)nnc1C1CC[NH+](CC2CCCCC2)CC1 ZINC000092065944 218113140 /nfs/dbraw/zinc/11/31/40/218113140.db2.gz PSCZHGPAGFMLPC-UHFFFAOYSA-N 1 0 342.491 2.820 50 0 EFAARO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccccc1F ZINC000010544242 211179997 /nfs/dbraw/zinc/17/99/97/211179997.db2.gz OCHKTOHTMQOYEX-MRXNPFEDSA-N 1 0 342.480 2.900 50 0 EFAARO CCOc1c(C[NH2+][C@H](CC)CO)cc(Br)cc1OC ZINC000010474300 211175750 /nfs/dbraw/zinc/17/57/50/211175750.db2.gz UWPFDJBLRXUAPM-GFCCVEGCSA-N 1 0 332.238 2.717 50 0 EFAARO COc1ccccc1OCC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000010018742 211140951 /nfs/dbraw/zinc/14/09/51/211140951.db2.gz BADWRWXJQAXCDW-INIZCTEOSA-N 1 0 346.402 2.632 50 0 EFAARO COc1cc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)ccc1F ZINC000093455061 218227124 /nfs/dbraw/zinc/22/71/24/218227124.db2.gz SVNFXQPZWCSYLH-QGZVFWFLSA-N 1 0 333.407 2.513 50 0 EFAARO Cc1c(C)n(Cc2ccncc2)c2ncnc(NCCC[NH+](C)C)c12 ZINC000009419796 211081461 /nfs/dbraw/zinc/08/14/61/211081461.db2.gz ISAPLTATNPZHBK-UHFFFAOYSA-N 1 0 338.459 2.855 50 0 EFAARO O=C(NCCCc1ccccn1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095353747 218286902 /nfs/dbraw/zinc/28/69/02/218286902.db2.gz MODJTDFIAHMBQR-INIZCTEOSA-N 1 0 327.428 2.636 50 0 EFAARO CCCCc1nc(C)cc(NCCNC(=O)[C@H]2CCCCC[N@@H+]2C)n1 ZINC000095356031 218289858 /nfs/dbraw/zinc/28/98/58/218289858.db2.gz FZGCSAWPUZXFTM-MRXNPFEDSA-N 1 0 347.507 2.530 50 0 EFAARO O=C1CCC2(CC[NH+](C[C@H]3CCOc4ccccc4C3)CC2)CN1 ZINC000095517105 284785497 /nfs/dbraw/zinc/78/54/97/284785497.db2.gz JSEXHLYMHRMPCT-INIZCTEOSA-N 1 0 328.456 2.620 50 0 EFAARO O=C(CC[N@@H+]1CCC[C@H](c2nccn2CC2CCC2)C1)N1CCCC1 ZINC000095369079 218300916 /nfs/dbraw/zinc/30/09/16/218300916.db2.gz HHABORBZWVHXNY-SFHVURJKSA-N 1 0 344.503 2.875 50 0 EFAARO CSCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095376237 218308558 /nfs/dbraw/zinc/30/85/58/218308558.db2.gz FBSUKVDMNWJVGV-CGTJXYLNSA-N 1 0 334.460 2.577 50 0 EFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000095368804 218301922 /nfs/dbraw/zinc/30/19/22/218301922.db2.gz NGPNFQXAGXPBIW-QGZVFWFLSA-N 1 0 334.435 2.510 50 0 EFAARO C[N@@H+]1CCC[C@H](CCC(=O)NCCCn2ncc3ccccc32)C1 ZINC000095374103 218306795 /nfs/dbraw/zinc/30/67/95/218306795.db2.gz AZBCVBCRPYUXIN-MRXNPFEDSA-N 1 0 328.460 2.665 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1nc(-c2ccccc2)no1 ZINC000095373831 218306813 /nfs/dbraw/zinc/30/68/13/218306813.db2.gz KKWMAADREHDFLY-MRXNPFEDSA-N 1 0 342.443 2.660 50 0 EFAARO C[C@@H]([NH2+]Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1)C1=CCCCC1 ZINC000095382761 218314447 /nfs/dbraw/zinc/31/44/47/218314447.db2.gz YNJUUGXUDJDJBZ-GFCCVEGCSA-N 1 0 325.412 2.606 50 0 EFAARO Cc1nn(CCNC(=O)CC[C@H]2CCCC[N@H+]2C)c(C)c1Cl ZINC000095381893 218314550 /nfs/dbraw/zinc/31/45/50/218314550.db2.gz RPNKOWYZONMWBY-CQSZACIVSA-N 1 0 326.872 2.534 50 0 EFAARO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 ZINC000095381883 218315010 /nfs/dbraw/zinc/31/50/10/218315010.db2.gz JMUCOBRJJUBQGL-KRWDZBQOSA-N 1 0 347.478 2.985 50 0 EFAARO COc1cccc2c1OC[C@H](Cc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC000095387172 218319655 /nfs/dbraw/zinc/31/96/55/218319655.db2.gz WBRFFWMZUXXEQZ-QGZVFWFLSA-N 1 0 338.451 2.899 50 0 EFAARO Cc1ccccc1COC1CN(C(=O)CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000095388805 218320603 /nfs/dbraw/zinc/32/06/03/218320603.db2.gz IQSNNJAMRDFTJZ-KRWDZBQOSA-N 1 0 330.472 2.844 50 0 EFAARO O=C(c1cnc(C2CC2)nc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000095390863 218322591 /nfs/dbraw/zinc/32/25/91/218322591.db2.gz KCRZODPCUHPADL-QGZVFWFLSA-N 1 0 328.460 2.835 50 0 EFAARO Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)s1 ZINC000095383040 218315752 /nfs/dbraw/zinc/31/57/52/218315752.db2.gz VWGZOHOULGDTLK-OAHLLOKOSA-N 1 0 346.500 2.834 50 0 EFAARO CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000095384549 218316526 /nfs/dbraw/zinc/31/65/26/218316526.db2.gz WCZLXIWOQFHDDP-KRWDZBQOSA-N 1 0 346.450 2.967 50 0 EFAARO CCCc1nnsc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095385584 218317387 /nfs/dbraw/zinc/31/73/87/218317387.db2.gz ZGQDJLHUEJPDRV-HUUCEWRRSA-N 1 0 348.516 2.827 50 0 EFAARO CCc1[nH+]c(N)nc(NCc2ccccc2CN2CCCC2=O)c1C ZINC000095384932 218317466 /nfs/dbraw/zinc/31/74/66/218317466.db2.gz YVLKLCCMLZWMKK-UHFFFAOYSA-N 1 0 339.443 2.664 50 0 EFAARO Cc1ccc2cccc(OCCNC(=O)[C@@H]3CCCCC[N@H+]3C)c2n1 ZINC000095392032 218324190 /nfs/dbraw/zinc/32/41/90/218324190.db2.gz FOASFFGIJKVMPI-KRWDZBQOSA-N 1 0 341.455 2.913 50 0 EFAARO COCCN1C[C@H]2CC[C@@H]1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC000095392038 218324275 /nfs/dbraw/zinc/32/42/75/218324275.db2.gz PTSFNNYPORWOMH-FUHWJXTLSA-N 1 0 336.451 2.637 50 0 EFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc3c(cc1OC)CCC3)C2 ZINC000095391764 218324332 /nfs/dbraw/zinc/32/43/32/218324332.db2.gz PTNVVJIJTVHORF-OXJNMPFZSA-N 1 0 344.499 2.727 50 0 EFAARO NC(=O)COc1ccc(Br)cc1C[NH2+]C1CCCCC1 ZINC000006743155 210697110 /nfs/dbraw/zinc/69/71/10/210697110.db2.gz LXZXYFLDFSDWBC-UHFFFAOYSA-N 1 0 341.249 2.736 50 0 EFAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=S)NC[C@H]1CCCO1 ZINC000005050126 210374246 /nfs/dbraw/zinc/37/42/46/210374246.db2.gz WSCKMIBHIVCVOS-HFTRVMKXSA-N 1 0 345.512 2.656 50 0 biogenic EFAARO Cn1c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc2n(C)c1=O ZINC000004993738 210352377 /nfs/dbraw/zinc/35/23/77/210352377.db2.gz MXLONGWPSNJRFV-UHFFFAOYSA-N 1 0 325.456 2.935 50 0 EFAARO Cn1nnnc1SCCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000004993850 210352150 /nfs/dbraw/zinc/35/21/50/210352150.db2.gz UCWHVWSDXBQDPO-UHFFFAOYSA-N 1 0 347.419 2.881 50 0 EFAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NC2(c3cc(F)ccc3F)CC2)C1 ZINC000097334336 219012473 /nfs/dbraw/zinc/01/24/73/219012473.db2.gz HUZRDAWIJWWQJH-CQSZACIVSA-N 1 0 338.398 2.569 50 0 EFAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCN2CCCC[C@@H]2C1 ZINC000097446914 219025435 /nfs/dbraw/zinc/02/54/35/219025435.db2.gz FNYMVVUDPYOTQR-LJQANCHMSA-N 1 0 327.472 2.593 50 0 EFAARO Cc1[nH]nc(C2CC2)c1C(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000097522027 219032362 /nfs/dbraw/zinc/03/23/62/219032362.db2.gz AQSIHJJQJGRXOL-QGZVFWFLSA-N 1 0 338.455 2.815 50 0 EFAARO Cc1ccc([C@@H](NC(=O)C2(O)CC[NH+](C)CC2)c2cccs2)cc1 ZINC000097521947 219032409 /nfs/dbraw/zinc/03/24/09/219032409.db2.gz KZWPYWMDOIJJPX-QGZVFWFLSA-N 1 0 344.480 2.719 50 0 EFAARO CC1(C)C[C@@H](C[NH+]2CCN(Cc3ccccc3CO)CC2)CCO1 ZINC000097522609 219032775 /nfs/dbraw/zinc/03/27/75/219032775.db2.gz HXZAJCSVHGFWKL-KRWDZBQOSA-N 1 0 332.488 2.502 50 0 EFAARO Cc1ccccc1-c1ncc(CN2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000097528920 219033161 /nfs/dbraw/zinc/03/31/61/219033161.db2.gz VSWAVURUKPSACU-INIZCTEOSA-N 1 0 342.512 2.598 50 0 EFAARO Cc1cc(-n2nc(-c3ccncc3)nc2CN2CCCCC2=O)cc[nH+]1 ZINC000097528914 219033733 /nfs/dbraw/zinc/03/37/33/219033733.db2.gz ZAQORCMGKXLBCY-UHFFFAOYSA-N 1 0 348.410 2.545 50 0 EFAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NC2(c3cccc(Cl)c3)CC2)C1 ZINC000097594920 219037443 /nfs/dbraw/zinc/03/74/43/219037443.db2.gz ZTWCGCWRAPXHJM-INIZCTEOSA-N 1 0 336.863 2.945 50 0 EFAARO COc1cccc(OC)c1C(=O)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000004745969 210269532 /nfs/dbraw/zinc/26/95/32/210269532.db2.gz VJNMBOSQBCSIPO-MRXNPFEDSA-N 1 0 344.455 2.818 50 0 EFAARO COc1cccc(OC)c1C(=O)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000004745968 210268907 /nfs/dbraw/zinc/26/89/07/210268907.db2.gz VJNMBOSQBCSIPO-INIZCTEOSA-N 1 0 344.455 2.818 50 0 EFAARO CCOc1ccc2nc(C[N@H+]3C[C@H]4CCC[C@@H](C3)NC4=O)ccc2c1 ZINC000097570895 219035273 /nfs/dbraw/zinc/03/52/73/219035273.db2.gz MRMLGMLWFSNRTL-CVEARBPZSA-N 1 0 339.439 2.734 50 0 EFAARO C[N@@H+]1C[C@H](NC(=O)Nc2ccc(-c3cccc(F)c3)cc2)C[C@H]1CO ZINC000097553158 219035438 /nfs/dbraw/zinc/03/54/38/219035438.db2.gz ZPNIUZQDLGTRPE-MSOLQXFVSA-N 1 0 343.402 2.679 50 0 EFAARO O=C(c1ccc(-c2cnc3[nH]ccc3c2)cc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000426712791 257957620 /nfs/dbraw/zinc/95/76/20/257957620.db2.gz RLBBRWAOFAGNAZ-FUHWJXTLSA-N 1 0 332.407 2.615 50 0 EFAARO CCc1ccc(CN(C)C(=O)c2cc(C)ccc2OCC[NH3+])nc1 ZINC000426599563 257962057 /nfs/dbraw/zinc/96/20/57/257962057.db2.gz LCCSZNXFJJWKLM-UHFFFAOYSA-N 1 0 327.428 2.562 50 0 EFAARO CC(C)[NH+]1CCC2(CC[C@H](CNC(=O)CCc3ccncc3)O2)CC1 ZINC000426589749 257962573 /nfs/dbraw/zinc/96/25/73/257962573.db2.gz IZIBOZRZLZJDFO-GOSISDBHSA-N 1 0 345.487 2.552 50 0 EFAARO C[NH2+]Cc1nnc(SCc2cccc(OC(F)(F)F)c2)n1C ZINC000426526937 257965048 /nfs/dbraw/zinc/96/50/48/257965048.db2.gz QMCKHQJAFUEGQM-UHFFFAOYSA-N 1 0 332.351 2.725 50 0 EFAARO CCN(Cc1cnn(C)c1)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000426414887 257969153 /nfs/dbraw/zinc/96/91/53/257969153.db2.gz WPMSJCCZAYQJAA-UHFFFAOYSA-N 1 0 347.507 2.606 50 0 EFAARO CC(=O)Nc1ccc(CN2CC[N@@H+](CCC(C)C)[C@H](CCO)C2)cc1 ZINC000036385602 258003661 /nfs/dbraw/zinc/00/36/61/258003661.db2.gz ZKKAKFXFUKKYKJ-HXUWFJFHSA-N 1 0 347.503 2.560 50 0 EFAARO CCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1cc(OC)no1 ZINC000334160373 258016521 /nfs/dbraw/zinc/01/65/21/258016521.db2.gz CFXAXNUAESJSEE-WBVHZDCISA-N 1 0 349.475 2.729 50 0 EFAARO CCn1c2ccccc2nc1C[N@@H+]1CC[C@]2(OC)CC[C@@H](O)C[C@H]12 ZINC000299771883 258084462 /nfs/dbraw/zinc/08/44/62/258084462.db2.gz ZOLXXSDIZFPQOJ-DKSSEZFCSA-N 1 0 329.444 2.561 50 0 EFAARO CC(C)[N@@H+]1CC[C@H](CN(C)C(=O)CCc2ccc(N(C)C)cc2)C1 ZINC000299773581 258085634 /nfs/dbraw/zinc/08/56/34/258085634.db2.gz DMIDEOHHEJOAFE-GOSISDBHSA-N 1 0 331.504 2.874 50 0 EFAARO Cc1ccc(C(=O)NC2(CO)CCCCCC2)c(OCCC[NH3+])c1 ZINC000299775225 258086084 /nfs/dbraw/zinc/08/60/84/258086084.db2.gz IYWFBLGOSHYZRA-UHFFFAOYSA-N 1 0 334.460 2.538 50 0 EFAARO Cc1noc([C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000299782454 258090771 /nfs/dbraw/zinc/09/07/71/258090771.db2.gz MOUOCHJLRJQVGX-IRXDYDNUSA-N 1 0 340.427 2.706 50 0 EFAARO CCN(CC[NH+](C)C)C(=O)c1cccc(-c2nc(C)cc(C)n2)c1 ZINC000299784930 258092418 /nfs/dbraw/zinc/09/24/18/258092418.db2.gz NEKOCIMTHIURAE-UHFFFAOYSA-N 1 0 326.444 2.784 50 0 EFAARO [NH3+]CCCOc1ccc(C(=O)N[C@@H]2COC3(C2)CCCCC3)cc1 ZINC000299784861 258092441 /nfs/dbraw/zinc/09/24/41/258092441.db2.gz QLKLOGDZLVIYRC-INIZCTEOSA-N 1 0 332.444 2.636 50 0 EFAARO Cc1ccc(-c2ccc(C(=O)NCC[NH+]3CCC(CO)CC3)cc2)o1 ZINC000299784824 258092455 /nfs/dbraw/zinc/09/24/55/258092455.db2.gz JOBOKUUMJKUSIY-UHFFFAOYSA-N 1 0 342.439 2.689 50 0 EFAARO Cc1cc2c(cn1)CN(C(=O)c1ccc(OCCC[NH3+])c(Cl)c1)C2 ZINC000299786617 258093884 /nfs/dbraw/zinc/09/38/84/258093884.db2.gz WVCDZXHMXVPPER-UHFFFAOYSA-N 1 0 345.830 2.927 50 0 EFAARO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)c(Cl)c1 ZINC000299787427 258094504 /nfs/dbraw/zinc/09/45/04/258094504.db2.gz WXACPLFHGKUWRE-UHFFFAOYSA-N 1 0 340.826 2.852 50 0 EFAARO Cc1cc(C)cc(CCC(=O)NCCCOC2CC[NH+](C)CC2)c1 ZINC000299788637 258094889 /nfs/dbraw/zinc/09/48/89/258094889.db2.gz YVQGDAYJGJVNLI-UHFFFAOYSA-N 1 0 332.488 2.853 50 0 EFAARO CO[C@]12CC[N@H+](Cc3nn(C)c4cccc(Cl)c34)[C@H]1C[C@H](O)CC2 ZINC000299789937 258095723 /nfs/dbraw/zinc/09/57/23/258095723.db2.gz AJNKYVXEGYWHBN-PZPSRYQVSA-N 1 0 349.862 2.731 50 0 EFAARO COc1cccc(C(=O)N[C@H](C)c2ccc(C)nc2)c1OCCC[NH3+] ZINC000299790602 258096128 /nfs/dbraw/zinc/09/61/28/258096128.db2.gz AVTDKGYFWKVNBN-CQSZACIVSA-N 1 0 343.427 2.617 50 0 EFAARO COc1ccc(-c2cccc(C(=O)N3CC[NH2+][C@H](C)C3)c2)c(OC)c1 ZINC000299791434 258097091 /nfs/dbraw/zinc/09/70/91/258097091.db2.gz CSFQDNAEGDUHLW-CQSZACIVSA-N 1 0 340.423 2.805 50 0 EFAARO CO[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(OCCC[NH3+])c1 ZINC000299795857 258100592 /nfs/dbraw/zinc/10/05/92/258100592.db2.gz MFAULGAEOJIKSF-FVQHAEBGSA-N 1 0 332.444 2.505 50 0 EFAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CCSCc1ccccc1 ZINC000299797340 258101697 /nfs/dbraw/zinc/10/16/97/258101697.db2.gz NKUWVXHADPUFCJ-IRXDYDNUSA-N 1 0 336.501 2.534 50 0 EFAARO C[C@H](O)C(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000299798324 258102446 /nfs/dbraw/zinc/10/24/46/258102446.db2.gz QMEZXIGONGKXEA-INIZCTEOSA-N 1 0 338.451 2.815 50 0 EFAARO O=C(NCCCn1ccnc1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299798307 258102490 /nfs/dbraw/zinc/10/24/90/258102490.db2.gz SCQGUQVTVYGQOP-OTWHNJEPSA-N 1 0 338.455 2.615 50 0 EFAARO CO[C@]12CC[N@H+](Cc3cnc(-c4ccccc4)nc3)[C@H]1C[C@@H](O)CC2 ZINC000299799095 258102912 /nfs/dbraw/zinc/10/29/12/258102912.db2.gz VECIVBIMTWGWHI-CMKODMSKSA-N 1 0 339.439 2.648 50 0 EFAARO Cc1ncsc1CC[N@@H+](C)C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299799754 258103035 /nfs/dbraw/zinc/10/30/35/258103035.db2.gz RSQRJORFHMSGOF-OAHLLOKOSA-N 1 0 329.469 2.979 50 0 EFAARO C[C@H](CCNC(=O)Nc1ccccc1C1CC1)[NH+]1CCN(C)CC1 ZINC000299801330 258104247 /nfs/dbraw/zinc/10/42/47/258104247.db2.gz ZWOPEPMAAOBEFQ-OAHLLOKOSA-N 1 0 330.476 2.712 50 0 EFAARO C[N@@H+]1CCC[C@H](CCC(=O)NCc2nc(C3CCCCC3)no2)C1 ZINC000299802078 258104690 /nfs/dbraw/zinc/10/46/90/258104690.db2.gz WNYIIDQHTDKTNZ-CQSZACIVSA-N 1 0 334.464 2.856 50 0 EFAARO COc1ccc(C(=O)N[C@H](C)c2ncccc2C)cc1OCCC[NH3+] ZINC000299801491 258104702 /nfs/dbraw/zinc/10/47/02/258104702.db2.gz YTNPCLWHKJCPPB-CQSZACIVSA-N 1 0 343.427 2.617 50 0 EFAARO CCCCNC(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000004552751 258051104 /nfs/dbraw/zinc/05/11/04/258051104.db2.gz MWLXOZBROGMVHG-UHFFFAOYSA-N 1 0 334.460 2.832 50 0 EFAARO CN(Cc1cc[nH]n1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000020137381 258057217 /nfs/dbraw/zinc/05/72/17/258057217.db2.gz BYBKHOMXMRBFBA-QGZVFWFLSA-N 1 0 330.451 2.935 50 0 EFAARO Cc1nnc([C@@H]2CCCN2C(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)[nH]1 ZINC000299756693 258075054 /nfs/dbraw/zinc/07/50/54/258075054.db2.gz DQGCZNHZGQLDAU-AWEZNQCLSA-N 1 0 333.480 2.724 50 0 EFAARO CC(C)[NH+]1CCC2(CC[C@@H](CNC(=O)Nc3cccnc3)O2)CC1 ZINC000299757331 258075588 /nfs/dbraw/zinc/07/55/88/258075588.db2.gz LTDGLAOAYGBNQT-INIZCTEOSA-N 1 0 332.448 2.625 50 0 EFAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3c(C)nc4ccccn43)[C@H]2C1 ZINC000299761271 258078146 /nfs/dbraw/zinc/07/81/46/258078146.db2.gz IIHMKVOONDJJNO-HHXXYDBFSA-N 1 0 329.444 2.801 50 0 EFAARO O=C(NCCc1nc2ccccc2o1)c1ccc(C[NH+]2CCCC2)o1 ZINC000299761424 258078332 /nfs/dbraw/zinc/07/83/32/258078332.db2.gz RILWYIIGKFLZQR-UHFFFAOYSA-N 1 0 339.395 2.989 50 0 EFAARO Cc1ccc(CCNC(=O)c2ccc(OCCC[NH3+])c(Cl)c2)o1 ZINC000299762738 258079083 /nfs/dbraw/zinc/07/90/83/258079083.db2.gz XIVHKUSCQWTHGA-UHFFFAOYSA-N 1 0 336.819 2.942 50 0 EFAARO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cnc2ccccc2c1 ZINC000299766978 258081429 /nfs/dbraw/zinc/08/14/29/258081429.db2.gz FZGDBMZFKRUJIR-UHFFFAOYSA-N 1 0 339.439 2.608 50 0 EFAARO Cc1c(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1C ZINC000299768124 258082262 /nfs/dbraw/zinc/08/22/62/258082262.db2.gz HSYMDTZGNBEWFJ-GOSISDBHSA-N 1 0 325.456 2.976 50 0 EFAARO c1ccc(-c2nc3c(c(N4Cc5ccccc5C4)n2)CC[NH2+]C3)nc1 ZINC000072142131 285468623 /nfs/dbraw/zinc/46/86/23/285468623.db2.gz ONBGAUMEAVKLNX-UHFFFAOYSA-N 1 0 329.407 2.705 50 0 EFAARO NC(=O)c1oc2ccccc2c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055142400 132194377 /nfs/dbraw/zinc/19/43/77/132194377.db2.gz MXAJTIYYLZOSEP-UHFFFAOYSA-N 1 0 335.407 2.854 50 0 EFAARO O=S(=O)(CC1CCCC1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000363835993 149018230 /nfs/dbraw/zinc/01/82/30/149018230.db2.gz ZFZGHNMEBLZNNV-UHFFFAOYSA-N 1 0 342.530 2.822 50 0 EFAARO O=C(c1cc2ccccc2o1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000364594540 149192953 /nfs/dbraw/zinc/19/29/53/149192953.db2.gz HYSFUMNQVSMJPJ-UHFFFAOYSA-N 1 0 328.412 2.760 50 0 EFAARO COc1cc2c(c(OC)c1OC)[C@H]([C@H]1CC[C@@H]([NH3+])CC1)CC(=O)N2 ZINC000244764117 286252282 /nfs/dbraw/zinc/25/22/82/286252282.db2.gz PBQPBNMOJJZCNT-TUAOUCFPSA-N 1 0 334.416 2.656 50 0 EFAARO COc1ccc2[nH]cc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2c1 ZINC000001430148 274120795 /nfs/dbraw/zinc/12/07/95/274120795.db2.gz DCMZSUVXBFSDQK-INIZCTEOSA-N 1 0 332.367 2.623 50 0 EFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1 ZINC000018191425 274943294 /nfs/dbraw/zinc/94/32/94/274943294.db2.gz FPVNMMKGYGZMBK-INIZCTEOSA-N 1 0 347.357 2.662 50 0 EFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2c[nH]nc2-c2cccc(F)c2)N1 ZINC000018126771 274943314 /nfs/dbraw/zinc/94/33/14/274943314.db2.gz RRMNCCYZKBJIDC-INIZCTEOSA-N 1 0 347.357 2.662 50 0 EFAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]12CC[N@@H+](C1CCOCC1)C2 ZINC000015069203 275021455 /nfs/dbraw/zinc/02/14/55/275021455.db2.gz OPOGMXKCHMJOLL-FQEVSTJZSA-N 1 0 346.446 2.819 50 0 EFAARO O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2[NH2+]Cc1ccccc1 ZINC000041105035 275042425 /nfs/dbraw/zinc/04/24/25/275042425.db2.gz PBDUGLIMFCWXND-KRWDZBQOSA-N 1 0 339.439 2.819 50 0 EFAARO OCC[NH+]1CCN(c2cc(C(F)(F)F)nc3c(F)cccc23)CC1 ZINC000019835334 275047203 /nfs/dbraw/zinc/04/72/03/275047203.db2.gz YFMUWKOEAAMXST-UHFFFAOYSA-N 1 0 343.324 2.507 50 0 EFAARO CC1(C)CNC(=O)c2[nH]c(CC3CC[NH+](C4CCCC4)CC3)nc2C1 ZINC000065398844 276137928 /nfs/dbraw/zinc/13/79/28/276137928.db2.gz CIFAYCXVZAXDTL-UHFFFAOYSA-N 1 0 344.503 2.919 50 0 EFAARO CN(Cc1nnc(-c2ccco2)o1)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000244900014 277000779 /nfs/dbraw/zinc/00/07/79/277000779.db2.gz ZUJYLYQHQKKBGT-MRXNPFEDSA-N 1 0 338.411 2.818 50 0 EFAARO C[NH2+][C@@H](C)c1nc(-c2ccc(C(N)=O)cc2)nn1C1CCCCC1 ZINC000096163282 277038964 /nfs/dbraw/zinc/03/89/64/277038964.db2.gz AXRGVGCSECLBDM-LBPRGKRZSA-N 1 0 327.432 2.830 50 0 EFAARO C[N@@H+]1CCCC2(CCN(C(=O)Cn3cc4ccccc4n3)CC2)CC1 ZINC000067872946 277042823 /nfs/dbraw/zinc/04/28/23/277042823.db2.gz XLYNROXBXMFNEA-UHFFFAOYSA-N 1 0 340.471 2.761 50 0 EFAARO COC[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)C2CCCC2)CC1 ZINC000015074911 277561431 /nfs/dbraw/zinc/56/14/31/277561431.db2.gz CLTLTNVHHLFLQF-CQSZACIVSA-N 1 0 334.464 2.684 50 0 EFAARO COc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCC[C@H](C)[C@H]3C)C2=O)cc1 ZINC000248118037 277908477 /nfs/dbraw/zinc/90/84/77/277908477.db2.gz CJFDXPGKFHZRJB-IXKJSCDLSA-N 1 0 330.428 2.741 50 0 EFAARO Cc1ncsc1CN1c2ccccc2NC2(CC[NH2+]CC2)C1=O ZINC000082091668 279180979 /nfs/dbraw/zinc/18/09/79/279180979.db2.gz LIIOIEHDSXHVEX-UHFFFAOYSA-N 1 0 328.441 2.532 50 0 EFAARO CC[NH+]1CCC(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000095367403 279256640 /nfs/dbraw/zinc/25/66/40/279256640.db2.gz PPRORGUTVKVDBB-MRXNPFEDSA-N 1 0 331.504 2.922 50 0 EFAARO Cc1c(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)c(=O)n(C)c(=O)n1C ZINC000065395694 280195405 /nfs/dbraw/zinc/19/54/05/280195405.db2.gz PVJLYFZTFFQTAB-AWEZNQCLSA-N 1 0 341.455 2.606 50 0 EFAARO O=C1NC[C@]2(CCC[N@H+](Cc3cnc(C4CCCCC4)nc3)CC2)O1 ZINC000072162657 280296091 /nfs/dbraw/zinc/29/60/91/280296091.db2.gz HHZNJQIXTYDTFV-LJQANCHMSA-N 1 0 344.459 2.989 50 0 EFAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2cccs2)[nH+]1 ZINC000082230361 280548937 /nfs/dbraw/zinc/54/89/37/280548937.db2.gz VZMCRMZFSHLYLM-UHFFFAOYSA-N 1 0 345.472 2.679 50 0 EFAARO O=C1CC2(CCCC2)CN1[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000019939957 304621391 /nfs/dbraw/zinc/62/13/91/304621391.db2.gz ALLUUMHEIHESCY-MOPGFXCFSA-N 1 0 340.467 2.516 50 0 EFAARO Cc1nc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc2nncn21 ZINC000298904663 311033397 /nfs/dbraw/zinc/03/33/97/311033397.db2.gz OADQYIHSZRKJLT-FQEVSTJZSA-N 1 0 348.454 2.535 50 0 EFAARO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)C1 ZINC000333288321 311595310 /nfs/dbraw/zinc/59/53/10/311595310.db2.gz NYQOWKDRXNBBCN-JSGCOSHPSA-N 1 0 342.892 2.689 50 0 EFAARO Cc1cc(C)nc(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)n1 ZINC000079491375 442053697 /nfs/dbraw/zinc/05/36/97/442053697.db2.gz DGUZOYXBJVMVGB-UHFFFAOYSA-N 1 0 327.432 2.519 50 0 EFAARO Cc1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c(Cl)cc1F ZINC000548370024 318099975 /nfs/dbraw/zinc/09/99/75/318099975.db2.gz HXUJFEBQQBKZSD-LLVKDONJSA-N 1 0 334.844 2.550 50 0 EFAARO COc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)CC(C)(C)O2 ZINC000071385319 472549137 /nfs/dbraw/zinc/54/91/37/472549137.db2.gz OWYFHFOLBDKMHL-CZUORRHYSA-N 1 0 332.444 2.755 50 0 EFAARO CCOCc1nc([C@H](C)n2nc(C)cc2C)n(C2CC[NH+](C)CC2)n1 ZINC000095499931 473213546 /nfs/dbraw/zinc/21/35/46/473213546.db2.gz HXOGGEROKWGWSP-HNNXBMFYSA-N 1 0 346.479 2.504 50 0 EFAARO CCC[C@@H]1C[N@H+](Cc2ccc(OC)c(COC)c2)C[C@H]1NC(C)=O ZINC000095501835 473214605 /nfs/dbraw/zinc/21/46/05/473214605.db2.gz YVZAURPXWFPJCL-SJLPKXTDSA-N 1 0 334.460 2.578 50 0 EFAARO COc1cc(C[N@H+]2C[C@@H](c3ccc(C)o3)[C@H](NC(C)=O)C2)ccc1F ZINC000095502608 473214749 /nfs/dbraw/zinc/21/47/49/473214749.db2.gz FYLKVKCXRNCTIK-NVXWUHKLSA-N 1 0 346.402 2.840 50 0 EFAARO CCCc1cncnc1N1CCC([NH2+]CCc2ccc(O)cc2)CC1 ZINC000095506086 473216113 /nfs/dbraw/zinc/21/61/13/473216113.db2.gz INRSIECJKSZKIH-UHFFFAOYSA-N 1 0 340.471 2.936 50 0 EFAARO Cc1ccc(CC[NH2+]C2CCN(c3ncnc4nc[nH]c43)CC2)s1 ZINC000095510285 473216520 /nfs/dbraw/zinc/21/65/20/473216520.db2.gz LDJSJUUHWMXHOP-UHFFFAOYSA-N 1 0 342.472 2.524 50 0 EFAARO Cc1cc[nH+]c(NCCNC(=O)[C@H]2CCOc3ccccc3C2)c1 ZINC000095509176 473216618 /nfs/dbraw/zinc/21/66/18/473216618.db2.gz DASKUKLKMGJMMZ-INIZCTEOSA-N 1 0 325.412 2.560 50 0 EFAARO CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)OC)c(Cl)c1 ZINC000095510559 473216649 /nfs/dbraw/zinc/21/66/49/473216649.db2.gz HOKCBNTUIZDLHW-UHFFFAOYSA-N 1 0 327.812 2.542 50 0 EFAARO COCCCC[NH+]1CCN(C(=O)Nc2ccc3ncccc3c2)CC1 ZINC000095511950 473217267 /nfs/dbraw/zinc/21/72/67/473217267.db2.gz IUKXCKOGBPSPIS-UHFFFAOYSA-N 1 0 342.443 2.811 50 0 EFAARO Cc1ccnc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c1 ZINC000095518005 473218116 /nfs/dbraw/zinc/21/81/16/473218116.db2.gz DUPUOWWPEUSRNH-KRWDZBQOSA-N 1 0 327.476 2.922 50 0 EFAARO CCOCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095516852 473218359 /nfs/dbraw/zinc/21/83/59/473218359.db2.gz QBMFPGWOMXEBKF-RBUKOAKNSA-N 1 0 330.472 2.579 50 0 EFAARO O=C1[C@H]2CC[C@H](C[N@H+](CCc3ccccc3)C2)N1Cc1cscn1 ZINC000095518565 473218582 /nfs/dbraw/zinc/21/85/82/473218582.db2.gz TYNGFRZEHUCOFH-FUHWJXTLSA-N 1 0 341.480 2.809 50 0 EFAARO CC[NH+]1CCC(CC(=O)NCc2nc(-c3ccccc3F)no2)CC1 ZINC000095519579 473218950 /nfs/dbraw/zinc/21/89/50/473218950.db2.gz LJVXCQKSDMQDET-UHFFFAOYSA-N 1 0 346.406 2.614 50 0 EFAARO Cc1nn(C)c2nc(NC[C@H]3Cc4ccccc4C[N@@H+]3C)sc12 ZINC000095520594 473219035 /nfs/dbraw/zinc/21/90/35/473219035.db2.gz VLBBFDPSYFYKBW-CQSZACIVSA-N 1 0 327.457 2.807 50 0 EFAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccnn1-c1ccccc1)C2 ZINC000095518709 473219365 /nfs/dbraw/zinc/21/93/65/473219365.db2.gz JVGXTIFJHDOLPF-GOEBONIOSA-N 1 0 325.416 2.573 50 0 EFAARO CC(C)N(C)C(=O)CN1CCC2(C[C@@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095523444 473219664 /nfs/dbraw/zinc/21/96/64/473219664.db2.gz VQFIQXGTPWGBNU-LJQANCHMSA-N 1 0 343.515 2.807 50 0 EFAARO Cc1cccnc1N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095525567 473220488 /nfs/dbraw/zinc/22/04/88/473220488.db2.gz UBQCMXKSZCGINE-KRWDZBQOSA-N 1 0 327.476 2.922 50 0 EFAARO COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCC[N@@H+](C(C)C)C3)c2c1 ZINC000095527951 473220952 /nfs/dbraw/zinc/22/09/52/473220952.db2.gz YHDFMEMEAUUPNU-INIZCTEOSA-N 1 0 343.471 2.956 50 0 EFAARO c1cc(-c2ccc(CN3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)o2)n[nH]1 ZINC000095527338 473221030 /nfs/dbraw/zinc/22/10/30/473221030.db2.gz BGTXLLRYDKPWLL-JKSUJKDBSA-N 1 0 326.444 2.976 50 0 EFAARO OC[C@@]12C[N@H+](CCc3cccc(F)c3)C[C@@H]1c1ccccc1OC2 ZINC000095527638 473221301 /nfs/dbraw/zinc/22/13/01/473221301.db2.gz SJHDHDOUTLNOPO-UYAOXDASSA-N 1 0 327.399 2.839 50 0 EFAARO COc1ccc(CC[NH2+][C@H](CO)COc2cccc(C)c2)cc1OC ZINC000096028203 473257040 /nfs/dbraw/zinc/25/70/40/473257040.db2.gz NXEPCYASZROQQK-QGZVFWFLSA-N 1 0 345.439 2.584 50 0 EFAARO COC(=O)c1ccc(C[NH+]2CC(c3nc(-c4ccco4)no3)C2)cc1 ZINC000096024296 473257466 /nfs/dbraw/zinc/25/74/66/473257466.db2.gz NPXKOJUHYVFCBO-UHFFFAOYSA-N 1 0 339.351 2.716 50 0 EFAARO Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCCC[C@H]([NH+](C)C)C1 ZINC000082087289 473285312 /nfs/dbraw/zinc/28/53/12/473285312.db2.gz VKOROYRUDQRVLL-INIZCTEOSA-N 1 0 326.444 2.941 50 0 EFAARO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c(F)c1 ZINC000082098194 473288249 /nfs/dbraw/zinc/28/82/49/473288249.db2.gz HVNIDWUXHHQUHF-FQEVSTJZSA-N 1 0 348.462 2.721 50 0 EFAARO Cc1ncsc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000082092218 473288349 /nfs/dbraw/zinc/28/83/49/473288349.db2.gz RHXRCTUEGQRHKV-IRXDYDNUSA-N 1 0 341.480 2.869 50 0 EFAARO [NH3+]CC1CCC(C(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000082107898 473288967 /nfs/dbraw/zinc/28/89/67/473288967.db2.gz XKKNZQXLWONUON-UHFFFAOYSA-N 1 0 330.472 2.959 50 0 EFAARO CCC[C@@H]1C[N@H+](Cc2cc3c(cc2OC)CCC3)C[C@H]1NC(C)=O ZINC000082114666 473290271 /nfs/dbraw/zinc/29/02/71/473290271.db2.gz KDPHGSZSCJKKJJ-IEBWSBKVSA-N 1 0 330.472 2.921 50 0 EFAARO CCn1c(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)nc2ccccc21 ZINC000082109288 473290419 /nfs/dbraw/zinc/29/04/19/473290419.db2.gz RTAZLUMOAAZBSI-MRXNPFEDSA-N 1 0 343.471 2.917 50 0 EFAARO C[C@H](C(=O)N1CCN(c2ccccc2)C(=O)C1)[N@H+](C)C1CCCCC1 ZINC000082108505 473290571 /nfs/dbraw/zinc/29/05/71/473290571.db2.gz LKPBBDUPMKHESN-MRXNPFEDSA-N 1 0 343.471 2.515 50 0 EFAARO O=C(C[N@@H+]1CCC[C@H](c2nccn2CC2CC2)C1)N1CCCCCC1 ZINC000082108894 473290841 /nfs/dbraw/zinc/29/08/41/473290841.db2.gz PIMCXXPHYIRKRV-SFHVURJKSA-N 1 0 344.503 2.875 50 0 EFAARO Cc1ccccc1[C@H](CNC(=O)c1cc(C(C)C)nn1C)[NH+](C)C ZINC000082121161 473292259 /nfs/dbraw/zinc/29/22/59/473292259.db2.gz MEMLPHZZMCZKBG-SFHVURJKSA-N 1 0 328.460 2.885 50 0 EFAARO c1c(CNc2nc(-c3ccccc3)nc3c2CCC3)nn2c1C[NH2+]CC2 ZINC000082121609 473292430 /nfs/dbraw/zinc/29/24/30/473292430.db2.gz FABBWEVYXANSMB-UHFFFAOYSA-N 1 0 346.438 2.544 50 0 EFAARO C[C@@H](C[NH+]1CCCC1)C(=O)N1CCC(c2nccn2CC2CC2)CC1 ZINC000082121477 473292948 /nfs/dbraw/zinc/29/29/48/473292948.db2.gz WPJJAGOVIBEUBX-INIZCTEOSA-N 1 0 344.503 2.731 50 0 EFAARO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(=O)c3cccc(F)c3[nH]2)C1 ZINC000082127408 473294636 /nfs/dbraw/zinc/29/46/36/473294636.db2.gz FPDLETHMXOIJLH-ZDUSSCGKSA-N 1 0 340.402 2.780 50 0 EFAARO COc1cc2c(cc1CN1CCCC[C@H]([NH+](C)C)C1)OCCCO2 ZINC000082156892 473297234 /nfs/dbraw/zinc/29/72/34/473297234.db2.gz GUEJDOLNJOCTAT-INIZCTEOSA-N 1 0 334.460 2.773 50 0 EFAARO FC(F)(F)c1cc(Cl)cnc1NCc1cc2n(n1)CC[NH2+]C2 ZINC000082160565 473297917 /nfs/dbraw/zinc/29/79/17/473297917.db2.gz VLNDGNSTGBAQRP-UHFFFAOYSA-N 1 0 331.729 2.666 50 0 EFAARO Cc1ccc(-c2nc([C@@H]3C[NH2+]CCO3)n(CCc3ccccc3)n2)o1 ZINC000096130966 473309372 /nfs/dbraw/zinc/30/93/72/473309372.db2.gz IHUBEBJIQNFNEI-KRWDZBQOSA-N 1 0 338.411 2.750 50 0 EFAARO CC(C)=CC[NH+]1CCC(c2nnc(CN3CCCCC3)n2C)CC1 ZINC000096132704 473309969 /nfs/dbraw/zinc/30/99/69/473309969.db2.gz UPZTXKWMQAAWHJ-UHFFFAOYSA-N 1 0 331.508 2.947 50 0 EFAARO COCCc1nc(C[C@@H]2CCCC[N@@H+]2C)n(CCc2ccccc2)n1 ZINC000096148040 473314195 /nfs/dbraw/zinc/31/41/95/473314195.db2.gz CDSTYABWBCNRAI-SFHVURJKSA-N 1 0 342.487 2.737 50 0 EFAARO CC(C)(C)[C@H](O)Cn1c2ccccc2n(CC[NH+]2CCCCC2)c1=N ZINC000000274294 471342966 /nfs/dbraw/zinc/34/29/66/471342966.db2.gz MWCSFYNDOUZTLZ-GOSISDBHSA-N 1 0 344.503 2.815 50 0 EFAARO COc1ccc(CCc2nc(C)cc(C[NH+](C)C)c2O)cc1OC ZINC000000300811 471345140 /nfs/dbraw/zinc/34/51/40/471345140.db2.gz HAQLWGRIZKGOGN-UHFFFAOYSA-N 1 0 330.428 2.960 50 0 EFAARO COc1cc(OC)cc(C(=O)N2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000000317052 471346713 /nfs/dbraw/zinc/34/67/13/471346713.db2.gz RMZPRZYZSWFLNJ-MRXNPFEDSA-N 1 0 344.455 2.818 50 0 EFAARO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000000317560 471347455 /nfs/dbraw/zinc/34/74/55/471347455.db2.gz HYRHYHLBFXEDCZ-HNNXBMFYSA-N 1 0 344.455 2.886 50 0 EFAARO O=C(c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)N1CCCCC1 ZINC000000380785 471352566 /nfs/dbraw/zinc/35/25/66/471352566.db2.gz YNMJSYITDYBNMR-GOSISDBHSA-N 1 0 346.471 2.538 50 0 EFAARO C[N@H+](CCCn1c(=O)c2cccnc2[nH]c1=S)Cc1ccccc1 ZINC000000424570 471358021 /nfs/dbraw/zinc/35/80/21/471358021.db2.gz LPKPRUUZRSXKER-UHFFFAOYSA-N 1 0 340.452 2.976 50 0 EFAARO Cc1cccc(NC(=[NH2+])Nc2nc(C(F)(F)F)cc(=O)[nH]2)c1C ZINC000000448802 471361337 /nfs/dbraw/zinc/36/13/37/471361337.db2.gz ZSIRYYRORBEFAD-UHFFFAOYSA-N 1 0 325.294 2.864 50 0 aggregator EFAARO COc1ccc(O[C@@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000514407 471368148 /nfs/dbraw/zinc/36/81/48/471368148.db2.gz OCRVLPYZFFFFTH-ZDUSSCGKSA-N 1 0 334.460 2.888 50 0 EFAARO CC[NH+]1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2C)CC1 ZINC000000536097 471369729 /nfs/dbraw/zinc/36/97/29/471369729.db2.gz NDGOVKUYZSFLFW-UHFFFAOYSA-N 1 0 336.443 2.574 50 0 EFAARO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000000766471 471375799 /nfs/dbraw/zinc/37/57/99/471375799.db2.gz COCHQTMBKQLTMT-GOSISDBHSA-N 1 0 330.472 2.926 50 0 EFAARO CCOC(=O)Cc1cccc[n+]1Cc1ccc(Br)cc1 ZINC000001406422 471390130 /nfs/dbraw/zinc/39/01/30/471390130.db2.gz RBWUNVSDEMPVGN-UHFFFAOYSA-N 1 0 335.221 2.891 50 0 EFAARO O=c1oc2cc(OC[C@H](O)C[NH+]3CCCCC3)ccc2c2c1CCC2 ZINC000001522288 471392235 /nfs/dbraw/zinc/39/22/35/471392235.db2.gz IAXURSNRWZLTJH-CQSZACIVSA-N 1 0 343.423 2.507 50 0 EFAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000002269009 471404384 /nfs/dbraw/zinc/40/43/84/471404384.db2.gz QKNBVLHZPYBSSZ-GFCCVEGCSA-N 1 0 329.400 2.767 50 0 EFAARO Cc1ccc(OC[C@@H](O)C[N@H+](CCO)Cc2ccccc2)c(C)c1 ZINC000002451847 471408528 /nfs/dbraw/zinc/40/85/28/471408528.db2.gz DIRFDJONDWSQAR-IBGZPJMESA-N 1 0 329.440 2.538 50 0 EFAARO Fc1ccc(-c2cc(C(F)(F)F)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000002554503 471411565 /nfs/dbraw/zinc/41/15/65/471411565.db2.gz ODEILBQFQVHZMS-UHFFFAOYSA-N 1 0 326.297 2.711 50 0 EFAARO Cc1cccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000002595037 471412784 /nfs/dbraw/zinc/41/27/84/471412784.db2.gz IQOFJVHRODOSDU-UHFFFAOYSA-N 1 0 339.439 2.764 50 0 EFAARO CC(C)CC(=O)N1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000004712132 471472402 /nfs/dbraw/zinc/47/24/02/471472402.db2.gz ODNXNPXOJHEERJ-UHFFFAOYSA-N 1 0 347.478 2.985 50 0 EFAARO Cc1ccccc1N1C(=O)C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1=O ZINC000005389382 471503623 /nfs/dbraw/zinc/50/36/23/471503623.db2.gz NAZXLVXYURPGGE-GOSISDBHSA-N 1 0 347.418 2.941 50 0 EFAARO C[NH+](C)CCCNC(=O)c1cc(C(=O)Cc2ccc(Cl)cc2)c[nH]1 ZINC000005659085 471515085 /nfs/dbraw/zinc/51/50/85/471515085.db2.gz MVRBEGGWIUWYER-UHFFFAOYSA-N 1 0 347.846 2.775 50 0 EFAARO COc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000006742787 471564172 /nfs/dbraw/zinc/56/41/72/471564172.db2.gz OBGUHFHGVXPILH-UHFFFAOYSA-N 1 0 341.440 2.553 50 0 EFAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(O)c2)N3)C1 ZINC000006843188 471573271 /nfs/dbraw/zinc/57/32/71/471573271.db2.gz ZHHPVNADWQYAJK-OAHLLOKOSA-N 1 0 329.425 2.686 50 0 EFAARO Cn1nnnc1SCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000007541551 471621082 /nfs/dbraw/zinc/62/10/82/471621082.db2.gz HEVCPUBSPFOBAW-UHFFFAOYSA-N 1 0 332.260 2.789 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@@H]([N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000008412464 471687257 /nfs/dbraw/zinc/68/72/57/471687257.db2.gz OUXYCWKAVWSYKK-JKIFEVAISA-N 1 0 330.428 2.695 50 0 EFAARO COc1cccc(NC(=[NH2+])Nc2nc(C(F)(F)F)cc(=O)[nH]2)c1 ZINC000008690061 471699014 /nfs/dbraw/zinc/69/90/14/471699014.db2.gz VWRFVKYVVDZESE-UHFFFAOYSA-N 1 0 327.266 2.668 50 0 aggregator EFAARO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+]1CCCC1 ZINC000008717446 471700778 /nfs/dbraw/zinc/70/07/78/471700778.db2.gz KPHSTOGOBRCWOL-UHFFFAOYSA-N 1 0 327.428 2.681 50 0 EFAARO CC[NH+](CC)Cc1c(C)[nH]c2ccc(N3CCOCC3)cc2c1=O ZINC000008717436 471701347 /nfs/dbraw/zinc/70/13/47/471701347.db2.gz PYOKBDJQFLTBHW-UHFFFAOYSA-N 1 0 329.444 2.927 50 0 EFAARO CC(=O)c1ccc2[nH]c(C)c(CN(C)C3CC[NH+](C)CC3)c(=O)c2c1 ZINC000008717277 471701504 /nfs/dbraw/zinc/70/15/04/471701504.db2.gz ODZKIOFLKDSPQW-UHFFFAOYSA-N 1 0 341.455 2.977 50 0 EFAARO CC[NH+]1CCN(c2nc(C)c(Cc3ccc(Cl)cc3)c(=O)[nH]2)CC1 ZINC000008766528 471705193 /nfs/dbraw/zinc/70/51/93/471705193.db2.gz CTTBEOVFCNTDKJ-UHFFFAOYSA-N 1 0 346.862 2.877 50 0 EFAARO CC[C@H](O)C[NH2+]C1CCN(c2nc(C)c3cc(C)ccc3n2)CC1 ZINC000012157411 471766345 /nfs/dbraw/zinc/76/63/45/471766345.db2.gz YDHQCFVXDBGAQR-INIZCTEOSA-N 1 0 328.460 2.576 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1coc(COc2ccccc2F)n1 ZINC000012227962 471769671 /nfs/dbraw/zinc/76/96/71/471769671.db2.gz XJNGPUXYTPDIPL-CYBMUJFWSA-N 1 0 347.390 2.607 50 0 EFAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ncc[nH]3)C2)cc1 ZINC000012445170 471776556 /nfs/dbraw/zinc/77/65/56/471776556.db2.gz ARZGPIJBIHJYPL-GOSISDBHSA-N 1 0 342.487 2.805 50 0 EFAARO CC1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000012754119 471794145 /nfs/dbraw/zinc/79/41/45/471794145.db2.gz AOLKGGJJXNLFON-GOSISDBHSA-N 1 0 344.503 2.922 50 0 EFAARO O=S(=O)(NCCC[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000013670457 471836824 /nfs/dbraw/zinc/83/68/24/471836824.db2.gz KENPHDNRJVMYOI-UHFFFAOYSA-N 1 0 330.881 2.884 50 0 EFAARO C[NH+](C)CCCNC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000013681360 471837809 /nfs/dbraw/zinc/83/78/09/471837809.db2.gz CAPBLPAVGBWDGA-UHFFFAOYSA-N 1 0 328.441 2.769 50 0 EFAARO COc1cc(C[NH2+]C2CC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717760 471840791 /nfs/dbraw/zinc/84/07/91/471840791.db2.gz CYLKXZKZUUURQL-UHFFFAOYSA-N 1 0 337.383 2.715 50 0 EFAARO CC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013717754 471841470 /nfs/dbraw/zinc/84/14/70/471841470.db2.gz XZZLQNJJYFAEMQ-UHFFFAOYSA-N 1 0 325.372 2.573 50 0 EFAARO CC(C)C[NH+]1CCC2(CC1)C(=O)N(CCc1ccccc1)C(=O)N2C ZINC000014538300 471874076 /nfs/dbraw/zinc/87/40/76/471874076.db2.gz SYCQFFMSLOVCJQ-UHFFFAOYSA-N 1 0 343.471 2.614 50 0 EFAARO CC(C)CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2ccc3c(c2)CCC3)C1 ZINC000014538733 471874332 /nfs/dbraw/zinc/87/43/32/471874332.db2.gz CXFYWVCPLKFANB-MAUKXSAKSA-N 1 0 330.472 2.552 50 0 EFAARO CC(C)[NH2+][C@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 ZINC000014731743 471877126 /nfs/dbraw/zinc/87/71/26/471877126.db2.gz IOGVZTPJRGESFP-INIZCTEOSA-N 1 0 340.471 2.548 50 0 EFAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CC1CC1)C2 ZINC000014746048 471878427 /nfs/dbraw/zinc/87/84/27/471878427.db2.gz DFBWVSZIKLDTAE-MRXNPFEDSA-N 1 0 344.503 2.632 50 0 EFAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CC(F)(F)F)C2)c1 ZINC000014949291 471882906 /nfs/dbraw/zinc/88/29/06/471882906.db2.gz UKDGCJADGIRHEZ-ZDUSSCGKSA-N 1 0 330.350 2.728 50 0 EFAARO CCCn1ncc(CN2CC[C@]3(C2)CCC[N@H+](CCOC)C3)c1C ZINC000014972340 471884080 /nfs/dbraw/zinc/88/40/80/471884080.db2.gz OHQXGASKDZNTRA-LJQANCHMSA-N 1 0 334.508 2.536 50 0 EFAARO CCCn1ncc(CN2CC[C@@]3(C2)CCC[N@H+](CCOC)C3)c1C ZINC000014972344 471884741 /nfs/dbraw/zinc/88/47/41/471884741.db2.gz OHQXGASKDZNTRA-IBGZPJMESA-N 1 0 334.508 2.536 50 0 EFAARO Cn1cc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(-c2ccccc2)n1 ZINC000014971435 471884815 /nfs/dbraw/zinc/88/48/15/471884815.db2.gz NTAVLVNEAIXEAQ-GOSISDBHSA-N 1 0 348.454 2.636 50 0 EFAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1C ZINC000015001463 471885636 /nfs/dbraw/zinc/88/56/36/471885636.db2.gz ZLNBVIMGLUOPHK-KRWDZBQOSA-N 1 0 342.443 2.505 50 0 EFAARO CN(C(=O)C1CCOCC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015061711 471886658 /nfs/dbraw/zinc/88/66/58/471886658.db2.gz HUQRNPWLTQCZEA-IBGZPJMESA-N 1 0 330.472 2.579 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CNC(=O)c1coc(COc2cccc(F)c2)n1 ZINC000015079144 471889350 /nfs/dbraw/zinc/88/93/50/471889350.db2.gz XCXRAAWVQPKDKR-AWEZNQCLSA-N 1 0 347.390 2.607 50 0 EFAARO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1 ZINC000018223018 471973817 /nfs/dbraw/zinc/97/38/17/471973817.db2.gz RMFPRAGEMVRFJW-SFHVURJKSA-N 1 0 333.391 2.632 50 0 EFAARO COc1ccc2ccccc2c1C[NH+]1CCN(c2ncccn2)CC1 ZINC000019849830 471984273 /nfs/dbraw/zinc/98/42/73/471984273.db2.gz ICINJQXPBRFJDN-UHFFFAOYSA-N 1 0 334.423 2.961 50 0 EFAARO COc1cccc(CN2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1OC ZINC000019889888 471986069 /nfs/dbraw/zinc/98/60/69/471986069.db2.gz CNJDQQJIVOHZAX-HZPDHXFCSA-N 1 0 348.487 2.777 50 0 EFAARO CN1CC[NH+](CC[C@H]2CCCCN2C(=O)Nc2ccccc2)CC1 ZINC000022935379 472023561 /nfs/dbraw/zinc/02/35/61/472023561.db2.gz VDDHNQBHPSFDGG-GOSISDBHSA-N 1 0 330.476 2.711 50 0 EFAARO Cc1cccc(N2CCC([NH2+]CCc3nnc(N)s3)CC2)c1C ZINC000067513610 472042814 /nfs/dbraw/zinc/04/28/14/472042814.db2.gz VYRZDCUQYOCNAQ-UHFFFAOYSA-N 1 0 331.489 2.538 50 0 EFAARO CCc1csc(C[NH2+][C@H](C)Cn2cnc3ccccc3c2=O)n1 ZINC000067641817 472064046 /nfs/dbraw/zinc/06/40/46/472064046.db2.gz ZMCGAWDRRXUSTB-GFCCVEGCSA-N 1 0 328.441 2.594 50 0 EFAARO COC(=O)c1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000025328861 472090471 /nfs/dbraw/zinc/09/04/71/472090471.db2.gz SIUGDSXNVGNRLG-HNNXBMFYSA-N 1 0 332.425 2.567 50 0 EFAARO Cc1ccc(OC2CCN(c3cc(CC[NH3+])nc(C)n3)CC2)cc1 ZINC000067803410 472091811 /nfs/dbraw/zinc/09/18/11/472091811.db2.gz QHYHRYYBUBYVQU-UHFFFAOYSA-N 1 0 326.444 2.642 50 0 EFAARO CNC(=O)CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025911035 472117590 /nfs/dbraw/zinc/11/75/90/472117590.db2.gz HEIIZEXTZPDEOM-UHFFFAOYSA-N 1 0 337.467 2.530 50 0 EFAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCn1cccc1 ZINC000084456764 472182009 /nfs/dbraw/zinc/18/20/09/472182009.db2.gz QIIPLVYVCFYIJQ-LJQANCHMSA-N 1 0 340.471 2.652 50 0 EFAARO CC[C@@H]1CN(C(=O)c2ccc(NCC3CC3)nc2)CC[N@@H+]1C(C)C ZINC000085538292 472256164 /nfs/dbraw/zinc/25/61/64/472256164.db2.gz YDAOCDPAHYFQKR-QGZVFWFLSA-N 1 0 330.476 2.848 50 0 EFAARO CC[NH+]1CCN(CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 ZINC000076424948 472344940 /nfs/dbraw/zinc/34/49/40/472344940.db2.gz LFYFAEYCMDTXFF-UHFFFAOYSA-N 1 0 343.515 2.642 50 0 EFAARO CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1O ZINC000044941183 472354679 /nfs/dbraw/zinc/35/46/79/472354679.db2.gz HTDXSIZCZUGTAG-RTBURBONSA-N 1 0 330.472 2.661 50 0 EFAARO Cc1nc(-c2ccncc2)sc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000031864811 472400047 /nfs/dbraw/zinc/40/00/47/472400047.db2.gz HYTHEZUXDLSXAI-UHFFFAOYSA-N 1 0 330.457 2.680 50 0 EFAARO CC(C)[NH+]1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 ZINC000045427228 472406643 /nfs/dbraw/zinc/40/66/43/472406643.db2.gz IAXUUEMTEGIZDJ-UHFFFAOYSA-N 1 0 329.469 2.905 50 0 EFAARO COC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000032123992 472415729 /nfs/dbraw/zinc/41/57/29/472415729.db2.gz KYGLGNYDKWATEI-DOTOQJQBSA-N 1 0 345.443 2.859 50 0 biogenic EFAARO COc1cc(OC)cc(-c2noc(C[C@H]([NH3+])c3ccccc3)n2)c1 ZINC000057354851 472419052 /nfs/dbraw/zinc/41/90/52/472419052.db2.gz VZAWRNPOEZGQHV-INIZCTEOSA-N 1 0 325.368 2.996 50 0 EFAARO CSc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(C(C)C)C2)cc1 ZINC000032577601 472443094 /nfs/dbraw/zinc/44/30/94/472443094.db2.gz FSYFGTGNPOMCNL-AEFFLSMTSA-N 1 0 349.544 2.874 50 0 EFAARO COCCN(Cc1cccnc1)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000097099121 472444598 /nfs/dbraw/zinc/44/45/98/472444598.db2.gz HWNZRMKHHZXFDS-UHFFFAOYSA-N 1 0 343.427 2.559 50 0 EFAARO COc1ccccc1-n1cc(CN2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000097099493 472446091 /nfs/dbraw/zinc/44/60/91/472446091.db2.gz UGCKVODDWNYSQX-QGZVFWFLSA-N 1 0 328.460 2.797 50 0 EFAARO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000045744831 472451932 /nfs/dbraw/zinc/45/19/32/472451932.db2.gz CJQBTPWSVBVDMB-CYBMUJFWSA-N 1 0 330.881 2.740 50 0 EFAARO CCNc1nc(NCCNC(=O)c2ccc(C)cc2C)cc(C)[nH+]1 ZINC000077136059 472456963 /nfs/dbraw/zinc/45/69/63/472456963.db2.gz PDNZDSHUOHCXPX-UHFFFAOYSA-N 1 0 327.432 2.676 50 0 EFAARO Cn1cc(C[NH2+]C[C@H]2COc3ccccc3C2)c(-c2ccncc2)n1 ZINC000097159781 472467430 /nfs/dbraw/zinc/46/74/30/472467430.db2.gz BQXPBUGLTVHQHF-HNNXBMFYSA-N 1 0 334.423 2.823 50 0 EFAARO Cc1nnc2n1C[C@H]([NH2+]Cc1ccc(OCc3cccnc3)cc1)CC2 ZINC000097199418 472474970 /nfs/dbraw/zinc/47/49/70/472474970.db2.gz DBXMLORGPCSSGR-GOSISDBHSA-N 1 0 349.438 2.665 50 0 EFAARO CCc1nnc2n1C[C@H]([NH2+]Cc1csc(-c3ccco3)n1)CC2 ZINC000097199534 472475475 /nfs/dbraw/zinc/47/54/75/472475475.db2.gz REEKXPUYZARBDA-LLVKDONJSA-N 1 0 329.429 2.662 50 0 EFAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCc3nc(C)cn3C2)cc1 ZINC000097198623 472475639 /nfs/dbraw/zinc/47/56/39/472475639.db2.gz SSJUJHYPAKBSLL-GOSISDBHSA-N 1 0 340.471 2.778 50 0 EFAARO COc1ccc(OC2CCN(C(=O)[C@@H]3CCCCC[N@@H+]3C)CC2)cc1 ZINC000077288145 472493902 /nfs/dbraw/zinc/49/39/02/472493902.db2.gz IPEIYMVBIBMERG-IBGZPJMESA-N 1 0 346.471 2.939 50 0 EFAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc(C)nc2ccc(CC)cc21 ZINC000077286164 472493975 /nfs/dbraw/zinc/49/39/75/472493975.db2.gz KVDOUDFTGITTBV-OALUTQOASA-N 1 0 341.455 2.555 50 0 EFAARO c1cn([C@H]2COC[C@@H]2[NH+]2CCCC2)c(-c2ccc(-c3cc[nH]n3)o2)n1 ZINC000077287375 472494522 /nfs/dbraw/zinc/49/45/22/472494522.db2.gz RMINVOQQGKBBHF-GJZGRUSLSA-N 1 0 339.399 2.569 50 0 EFAARO Cc1nc2c(c(N(C)C[C@H]3CC[N@H+](C)C3)n1)Cc1ccccc1OC2 ZINC000097402553 472495784 /nfs/dbraw/zinc/49/57/84/472495784.db2.gz FTKQAAFWILCRBV-HNNXBMFYSA-N 1 0 338.455 2.656 50 0 EFAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2nc(-c3ccco3)no2)c1 ZINC000077300467 472497559 /nfs/dbraw/zinc/49/75/59/472497559.db2.gz BELJWYZAYVRYME-CQSZACIVSA-N 1 0 327.388 2.971 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccs1 ZINC000097475590 472498852 /nfs/dbraw/zinc/49/88/52/472498852.db2.gz LJQVWGOTTUELQJ-OAHLLOKOSA-N 1 0 341.440 2.566 50 0 EFAARO COC(=O)c1cccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)c1 ZINC000077319560 472501411 /nfs/dbraw/zinc/50/14/11/472501411.db2.gz XGRIVWHSVJOHNW-UHFFFAOYSA-N 1 0 344.455 2.954 50 0 EFAARO Cc1nc(CC(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)cs1 ZINC000077318987 472501966 /nfs/dbraw/zinc/50/19/66/472501966.db2.gz PWXKPWIMNJWBJR-INIZCTEOSA-N 1 0 343.496 2.908 50 0 EFAARO CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CCn2cccn2)o1 ZINC000077322164 472503619 /nfs/dbraw/zinc/50/36/19/472503619.db2.gz YDMULKFKMLXQHS-OAHLLOKOSA-N 1 0 330.432 2.623 50 0 EFAARO Cc1ncc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cn1 ZINC000077322378 472503948 /nfs/dbraw/zinc/50/39/48/472503948.db2.gz GFOMVEWJZLGQTQ-UHFFFAOYSA-N 1 0 338.455 2.566 50 0 EFAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cn2ccsc2n1 ZINC000097679883 472504369 /nfs/dbraw/zinc/50/43/69/472504369.db2.gz UTUDASGCFYKFHJ-OAHLLOKOSA-N 1 0 340.452 2.615 50 0 EFAARO c1ccc(-c2nc3c(c(NCC[C@@H]4CCCCO4)n2)CC[NH2+]C3)nc1 ZINC000077341937 472507497 /nfs/dbraw/zinc/50/74/97/472507497.db2.gz HHQDCIWJXHZERJ-AWEZNQCLSA-N 1 0 339.443 2.555 50 0 EFAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)N(C)CCn2ccc3ccccc32)C1 ZINC000097797621 472508264 /nfs/dbraw/zinc/50/82/64/472508264.db2.gz HZAKYGNHZVSUQR-GOSISDBHSA-N 1 0 343.471 2.599 50 0 EFAARO COCC1(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)CCC1 ZINC000097819613 472508436 /nfs/dbraw/zinc/50/84/36/472508436.db2.gz FEVQKGMBFYEQQS-KRWDZBQOSA-N 1 0 334.435 2.896 50 0 EFAARO C[NH+](C)[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc(-n2cccn2)c1 ZINC000077377582 472514974 /nfs/dbraw/zinc/51/49/74/472514974.db2.gz KMUHBHZDGGEVJR-WOJBJXKFSA-N 1 0 346.434 2.830 50 0 EFAARO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058208885 472517826 /nfs/dbraw/zinc/51/78/26/472517826.db2.gz LUIMSJFUSBTSRE-HNNXBMFYSA-N 1 0 326.444 2.809 50 0 EFAARO Cc1noc2ncnc(N3CCC[N@H+](Cc4cccs4)CC3)c12 ZINC000077385391 472518655 /nfs/dbraw/zinc/51/86/55/472518655.db2.gz OBVRFWALQMPJTQ-UHFFFAOYSA-N 1 0 329.429 2.700 50 0 EFAARO C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058267242 472529952 /nfs/dbraw/zinc/52/99/52/472529952.db2.gz BAVTXAOQMXAFGP-OAHLLOKOSA-N 1 0 338.455 2.957 50 0 EFAARO Cc1ccc(OC2(C(=O)N(C)[C@H](C)c3ccon3)CC[NH2+]CC2)cc1 ZINC000077455418 472530467 /nfs/dbraw/zinc/53/04/67/472530467.db2.gz VPJHSLIHBSBMAN-OAHLLOKOSA-N 1 0 343.427 2.704 50 0 EFAARO CCc1nccn1CCC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000077488203 472537063 /nfs/dbraw/zinc/53/70/63/472537063.db2.gz PMXYVDNGWLPTJF-UHFFFAOYSA-N 1 0 346.500 2.632 50 0 EFAARO COc1ccc(/C=C/CN2CCC[C@@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077489784 472537518 /nfs/dbraw/zinc/53/75/18/472537518.db2.gz ZGNWZEZARBQBCG-PEAOBZDDSA-N 1 0 330.472 2.631 50 0 EFAARO c1cc2c(ncnc2N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000077489157 472537586 /nfs/dbraw/zinc/53/75/86/472537586.db2.gz UHQONLCBWGEEIT-UHFFFAOYSA-N 1 0 333.439 2.637 50 0 EFAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCOc1ccccc1 ZINC000077487918 472538044 /nfs/dbraw/zinc/53/80/44/472538044.db2.gz QFFSVSDZGGZFJT-IBGZPJMESA-N 1 0 338.451 2.971 50 0 EFAARO COc1cc(Oc2ccc(C(N)=O)cn2)ccc1C[NH+]1CCCC1 ZINC000071278811 472545491 /nfs/dbraw/zinc/54/54/91/472545491.db2.gz ONCGVPICMAVYNT-UHFFFAOYSA-N 1 0 327.384 2.577 50 0 EFAARO Cc1nccn1-c1ccccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000077539385 472549971 /nfs/dbraw/zinc/54/99/71/472549971.db2.gz OQGUHUYBOLXODO-GOSISDBHSA-N 1 0 341.455 2.999 50 0 EFAARO Cc1cc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)c(C)n1-n1cnnc1 ZINC000071416147 472550519 /nfs/dbraw/zinc/55/05/19/472550519.db2.gz VRMJWLGESORHHF-KRWDZBQOSA-N 1 0 340.431 2.950 50 0 EFAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3cccnc3)nc2)C1 ZINC000071405558 472550667 /nfs/dbraw/zinc/55/06/67/472550667.db2.gz MBXIUXXVZXFGHC-INIZCTEOSA-N 1 0 338.455 2.851 50 0 EFAARO C/C=C/C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077539032 472550750 /nfs/dbraw/zinc/55/07/50/472550750.db2.gz RGDUAMKJBLWDGG-ZOXCZHJPSA-N 1 0 327.472 2.905 50 0 EFAARO c1cc2c(ncnc2N2CCC([N@@H+]3CCc4ccccc4C3)CC2)[nH]1 ZINC000077540455 472551316 /nfs/dbraw/zinc/55/13/16/472551316.db2.gz OVPOHOUJNXXBAR-UHFFFAOYSA-N 1 0 333.439 2.985 50 0 EFAARO COc1c(C)cc(C(=O)[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1C ZINC000071523978 472553324 /nfs/dbraw/zinc/55/33/24/472553324.db2.gz PCCWLJXMSAUPDL-AWEZNQCLSA-N 1 0 340.427 2.784 50 0 EFAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccoc3)CC2)C1)N1CCCC1 ZINC000071523700 472553408 /nfs/dbraw/zinc/55/34/08/472553408.db2.gz ISXAGPFIEXUDJP-GOSISDBHSA-N 1 0 345.487 2.578 50 0 EFAARO Cc1noc(C)c1CC[N@@H+]1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 ZINC000071589788 472553521 /nfs/dbraw/zinc/55/35/21/472553521.db2.gz HSDHDHQFEDJLRF-SFHVURJKSA-N 1 0 333.476 2.803 50 0 EFAARO CCOCC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071681452 472554872 /nfs/dbraw/zinc/55/48/72/472554872.db2.gz AAFOJGCENNRXFN-SFHVURJKSA-N 1 0 336.451 2.921 50 0 EFAARO COCC[NH+]1CCC(CN2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000071662392 472555396 /nfs/dbraw/zinc/55/53/96/472555396.db2.gz NDAAQYGVSSDETG-LJQANCHMSA-N 1 0 336.451 2.557 50 0 EFAARO COc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c(O)c1 ZINC000071714540 472555929 /nfs/dbraw/zinc/55/59/29/472555929.db2.gz AEEFFSPNRNQVHV-GOSISDBHSA-N 1 0 346.471 2.983 50 0 EFAARO CNC(=O)c1ccc(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)o1 ZINC000071745303 472556415 /nfs/dbraw/zinc/55/64/15/472556415.db2.gz PTHTWAMDHUFVPK-QGZVFWFLSA-N 1 0 333.476 2.582 50 0 EFAARO CN(Cc1nc2ccsc2c(=O)[nH]1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000077566182 472558074 /nfs/dbraw/zinc/55/80/74/472558074.db2.gz OTOIKDWZHPNGAA-DZGCQCFKSA-N 1 0 346.500 2.681 50 0 EFAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3ccncc3)nc2)C1 ZINC000071749258 472558913 /nfs/dbraw/zinc/55/89/13/472558913.db2.gz LTEDEROZWYLYLC-MRXNPFEDSA-N 1 0 338.455 2.851 50 0 EFAARO CC(C)[C@H]1CN(CCC[NH+](C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071756830 472559713 /nfs/dbraw/zinc/55/97/13/472559713.db2.gz POTJQQQZDBKVSE-LJQANCHMSA-N 1 0 349.494 2.836 50 0 EFAARO CN(C)c1ccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)nn1 ZINC000071763275 472561183 /nfs/dbraw/zinc/56/11/83/472561183.db2.gz FSBQSCPODJJREJ-INIZCTEOSA-N 1 0 326.444 2.990 50 0 EFAARO CN(C)c1cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)ncn1 ZINC000071765059 472563239 /nfs/dbraw/zinc/56/32/39/472563239.db2.gz DEXBKITYLSMIIE-INIZCTEOSA-N 1 0 326.444 2.990 50 0 EFAARO COc1c(C[NH2+]C2CCN(c3ccccc3OC)CC2)c(C)nn1C ZINC000058432770 472569202 /nfs/dbraw/zinc/56/92/02/472569202.db2.gz WFTHPLREKOREQU-UHFFFAOYSA-N 1 0 344.459 2.504 50 0 EFAARO CCc1ccc(CN(C)c2nc(-c3ccncc3)nc3c2C[NH2+]C3)nc1 ZINC000072166291 472633465 /nfs/dbraw/zinc/63/34/65/472633465.db2.gz APCPJFFWYJSGPV-UHFFFAOYSA-N 1 0 346.438 2.736 50 0 EFAARO C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1ccccc1 ZINC000090728221 472654821 /nfs/dbraw/zinc/65/48/21/472654821.db2.gz HGOOISFRTZCVFQ-UAGQMJEPSA-N 1 0 334.460 2.955 50 0 EFAARO Cc1noc(C)c1CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061568866 472706308 /nfs/dbraw/zinc/70/63/08/472706308.db2.gz GPBCORZMSBXFKJ-UHFFFAOYSA-N 1 0 347.484 2.924 50 0 EFAARO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000120644157 472724029 /nfs/dbraw/zinc/72/40/29/472724029.db2.gz UYIJTSWVEKKBQK-INIZCTEOSA-N 1 0 332.835 2.756 50 0 EFAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1cc(C)no1)CC2 ZINC000091269623 472750493 /nfs/dbraw/zinc/75/04/93/472750493.db2.gz BQULEEQNNPCLCH-UHFFFAOYSA-N 1 0 343.475 2.856 50 0 EFAARO COC[C@]1(O)CC[N@H+](Cc2ccc(Cn3cccn3)cc2)CC1(C)C ZINC000091306028 472754740 /nfs/dbraw/zinc/75/47/40/472754740.db2.gz NCYQDNQYFPMHFV-HXUWFJFHSA-N 1 0 343.471 2.541 50 0 EFAARO C[NH+](C)C1(CNC(=O)C2(c3ccc(Cl)cc3)CC2)CCOCC1 ZINC000078707321 472756917 /nfs/dbraw/zinc/75/69/17/472756917.db2.gz MPSDCOLSQZKJCB-UHFFFAOYSA-N 1 0 336.863 2.599 50 0 EFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccc[nH]2)C3)cc1 ZINC000091364562 472760585 /nfs/dbraw/zinc/76/05/85/472760585.db2.gz PPZVSICLEBQEHS-DLBZAZTESA-N 1 0 339.439 2.760 50 0 EFAARO COCCC[C@]1(CO)CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000091364780 472760757 /nfs/dbraw/zinc/76/07/57/472760757.db2.gz OPCJVZKBNPFUGA-GOSISDBHSA-N 1 0 325.424 2.706 50 0 EFAARO COC[C@@H](C)[NH2+]Cc1cc(=O)[nH]c(-c2csc3c2CCCC3)n1 ZINC000063847114 472819982 /nfs/dbraw/zinc/81/99/82/472819982.db2.gz VTQZHRZYGZMVQL-LLVKDONJSA-N 1 0 333.457 2.502 50 0 EFAARO CN(Cc1cc(C(C)(C)C)n[nH]1)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063848847 472820762 /nfs/dbraw/zinc/82/07/62/472820762.db2.gz KNEJLDYRMRGSGG-IEBWSBKVSA-N 1 0 334.508 2.518 50 0 EFAARO Cc1c[nH+]ccc1-n1nc(-c2ccccc2)nc1CCN1CCCC1=O ZINC000063868410 472823222 /nfs/dbraw/zinc/82/32/22/472823222.db2.gz YMYYNQHDLHQBFG-UHFFFAOYSA-N 1 0 347.422 2.803 50 0 EFAARO Cc1ccccc1N1CCC([N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)CC1 ZINC000091895881 472824248 /nfs/dbraw/zinc/82/42/48/472824248.db2.gz GDMJZQJQQFEMJI-OAQYLSRUSA-N 1 0 341.499 2.908 50 0 EFAARO CCc1ncc(C[NH+]2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cn1 ZINC000092022356 472844921 /nfs/dbraw/zinc/84/49/21/472844921.db2.gz YXANBTWKIZYOJZ-UHFFFAOYSA-N 1 0 342.487 2.654 50 0 EFAARO COCC[C@]1(CO)CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000092022658 472845240 /nfs/dbraw/zinc/84/52/40/472845240.db2.gz BEVGFJBQGPNJHO-GOSISDBHSA-N 1 0 325.424 2.706 50 0 EFAARO CC(C)Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000092081440 472857492 /nfs/dbraw/zinc/85/74/92/472857492.db2.gz VJNHLMOHUXOQHV-WOJBJXKFSA-N 1 0 344.499 2.661 50 0 EFAARO CSc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000064596149 472864938 /nfs/dbraw/zinc/86/49/38/472864938.db2.gz AZHRAERKVAAWEB-CQSZACIVSA-N 1 0 342.530 2.809 50 0 EFAARO CCCC[C@@H]1C[C@@H]1C(=O)N1CCC(Cn2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000048482690 472881276 /nfs/dbraw/zinc/88/12/76/472881276.db2.gz MWKCFFUNXATKRH-CVEARBPZSA-N 1 0 347.507 2.537 50 0 EFAARO Cc1nn(CCO)c(C)c1C[N@H+]1CCN(c2ccccc2C)C[C@@H]1C ZINC000106699591 472883088 /nfs/dbraw/zinc/88/30/88/472883088.db2.gz HQKSGTRCVOWENY-INIZCTEOSA-N 1 0 342.487 2.511 50 0 EFAARO CC(=O)N[C@@H]1C[C@H](c2cccc(O)c2)O[C@H](C2(C)CC[NH+](C)CC2)C1 ZINC000065369987 472926844 /nfs/dbraw/zinc/92/68/44/472926844.db2.gz HKWBFHLHABGDLH-QRQLOZEOSA-N 1 0 346.471 2.849 50 0 EFAARO CNC(=O)C[C@H](C)[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000065372857 472927979 /nfs/dbraw/zinc/92/79/79/472927979.db2.gz VZVROELHSWHPII-HNNXBMFYSA-N 1 0 339.439 2.895 50 0 EFAARO COc1c(C)cnc(CN(C)C(=O)C2CC[NH+](C(C)C)CC2)c1C ZINC000065374595 472929900 /nfs/dbraw/zinc/92/99/00/472929900.db2.gz HPFDXRFAYDMUGO-UHFFFAOYSA-N 1 0 333.476 2.786 50 0 EFAARO CCOC(=O)N1CCC([NH2+]Cc2nn(C)c3ccc(C)cc23)CC1 ZINC000065374668 472930284 /nfs/dbraw/zinc/93/02/84/472930284.db2.gz JQACWFLRDIFBAL-UHFFFAOYSA-N 1 0 330.432 2.592 50 0 EFAARO C[C@@H]1CCCN(C(=O)CC[NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000065386016 472931030 /nfs/dbraw/zinc/93/10/30/472931030.db2.gz FFBQINODRKSOTI-GOSISDBHSA-N 1 0 344.499 2.973 50 0 EFAARO O[C@@H]1C[N@H+](Cc2cccc3c2OCO3)CC[C@H]1c1ccc(F)cc1 ZINC000065384016 472931398 /nfs/dbraw/zinc/93/13/98/472931398.db2.gz RMVDZNXJDUKVEA-DLBZAZTESA-N 1 0 329.371 2.905 50 0 EFAARO CCOc1cc2c(cc1C[NH+]1CCC3(CNC(=O)C3)CC1)CCC2 ZINC000065384244 472931730 /nfs/dbraw/zinc/93/17/30/472931730.db2.gz VHMKUAKGZVINNL-UHFFFAOYSA-N 1 0 328.456 2.676 50 0 EFAARO CCn1c(=O)[nH]nc1C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000065395671 472933078 /nfs/dbraw/zinc/93/30/78/472933078.db2.gz IRBNPKNCVPMOIP-ONEGZZNKSA-N 1 0 330.407 2.623 50 0 EFAARO CCc1nnc(CN(C)c2cc(CC)[nH+]c(N3CCCCC3)n2)o1 ZINC000065430699 472941014 /nfs/dbraw/zinc/94/10/14/472941014.db2.gz ACGQOXHPQCNZRB-UHFFFAOYSA-N 1 0 330.436 2.611 50 0 EFAARO CC(C)[C@H](Cn1ccnc1)[NH2+]CC(=O)Nc1ccc(Cl)cc1F ZINC000065451483 472944460 /nfs/dbraw/zinc/94/44/60/472944460.db2.gz WQNILKVCFAUEKI-HNNXBMFYSA-N 1 0 338.814 2.929 50 0 EFAARO O=c1n(Cc2ccccc2)nc(CC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000065454185 472945094 /nfs/dbraw/zinc/94/50/94/472945094.db2.gz ZREQHVCOEWFNOT-UHFFFAOYSA-N 1 0 348.450 2.624 50 0 EFAARO CC(=O)Nc1nc(CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000065516211 472963025 /nfs/dbraw/zinc/96/30/25/472963025.db2.gz PPONQDSCWOKZAZ-AWEZNQCLSA-N 1 0 345.472 2.739 50 0 EFAARO CC(=O)Nc1nc(CN2CC[C@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000065516213 472963102 /nfs/dbraw/zinc/96/31/02/472963102.db2.gz PPONQDSCWOKZAZ-CQSZACIVSA-N 1 0 345.472 2.739 50 0 EFAARO CC[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccnn1C ZINC000065528425 472966793 /nfs/dbraw/zinc/96/67/93/472966793.db2.gz CWPCKQSPKKFFNH-KRWDZBQOSA-N 1 0 326.444 2.766 50 0 EFAARO COc1cccc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000065527397 472966822 /nfs/dbraw/zinc/96/68/22/472966822.db2.gz KHKBKCDLQLJIDT-CQSZACIVSA-N 1 0 339.439 2.606 50 0 EFAARO O=S(=O)(c1cc(Cl)c(Cl)s1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065528224 472967020 /nfs/dbraw/zinc/96/70/20/472967020.db2.gz NETRWAIJJJUXFB-SFYZADRCSA-N 1 0 341.285 2.570 50 0 EFAARO CC(C)=CCC/C(C)=C/CN1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107662691 472972043 /nfs/dbraw/zinc/97/20/43/472972043.db2.gz ZSHVUOMWGFHBRB-KHVWPYCOSA-N 1 0 333.520 2.965 50 0 EFAARO CCOc1ccc(OCC)c(-c2c(C)n(O)c3c([n+]2=O)CCC3)c1 ZINC000136339246 473153014 /nfs/dbraw/zinc/15/30/14/473153014.db2.gz XFROTUVHFBYYDU-UHFFFAOYSA-N 1 0 331.392 2.901 50 0 EFAARO Cc1ccc([C@H](C(=O)N2CCC3(C2)CC[NH+](C)CC3)N(C)C)cc1 ZINC000095375408 473193262 /nfs/dbraw/zinc/19/32/62/473193262.db2.gz CCHRTUAQPMZURO-GOSISDBHSA-N 1 0 329.488 2.542 50 0 EFAARO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(c2cc[nH]n2)CC1 ZINC000125775982 473455682 /nfs/dbraw/zinc/45/56/82/473455682.db2.gz IZHWZRULXKKGQK-IBGZPJMESA-N 1 0 338.455 2.780 50 0 EFAARO C[NH+](C)[C@H](CNC(=O)N1CCC(c2cc[nH]n2)CC1)c1cccs1 ZINC000172505274 473627856 /nfs/dbraw/zinc/62/78/56/473627856.db2.gz YKMPHJORVHDISE-OAHLLOKOSA-N 1 0 347.488 2.663 50 0 EFAARO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000192214911 473648830 /nfs/dbraw/zinc/64/88/30/473648830.db2.gz HTFHHLBZADYJLL-IBGZPJMESA-N 1 0 330.472 2.974 50 0 EFAARO O=C1N(Cc2ccccc2C(F)(F)F)CCN1C1CC[NH2+]CC1 ZINC000263624090 473786511 /nfs/dbraw/zinc/78/65/11/473786511.db2.gz NGVUGOGLHVPVOH-UHFFFAOYSA-N 1 0 327.350 2.695 50 0 EFAARO C[C@@H](C(=O)N(C)Cc1nc2ccccc2n1C)[NH+]1CCCCCC1 ZINC000173337877 473809558 /nfs/dbraw/zinc/80/95/58/473809558.db2.gz VFJSIOKDZJLMMI-HNNXBMFYSA-N 1 0 328.460 2.796 50 0 EFAARO Cc1cccc(OCC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000195520679 474087142 /nfs/dbraw/zinc/08/71/42/474087142.db2.gz GDNXRXXAOWNAEG-INIZCTEOSA-N 1 0 326.444 2.791 50 0 EFAARO Fc1cccc(OCC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000195520649 474087946 /nfs/dbraw/zinc/08/79/46/474087946.db2.gz UQLNVIYTCYOZRV-CQSZACIVSA-N 1 0 330.407 2.622 50 0 EFAARO CCc1ncc(C[N@H+](C)CC2(N3CCOCC3)CCCCC2)cn1 ZINC000215238805 474138316 /nfs/dbraw/zinc/13/83/16/474138316.db2.gz XQDFHKUQWZPUBH-UHFFFAOYSA-N 1 0 332.492 2.506 50 0 EFAARO O=C(CSCC[NH+]1CCCC1)N1CCCC[C@H]1c1ccccn1 ZINC000219964532 474150206 /nfs/dbraw/zinc/15/02/06/474150206.db2.gz DTCQIHVDCKNGKV-KRWDZBQOSA-N 1 0 333.501 2.964 50 0 EFAARO CN(C)c1ccc(CC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000219998363 474150581 /nfs/dbraw/zinc/15/05/81/474150581.db2.gz PDLMJRJAWSYEAF-KRWDZBQOSA-N 1 0 329.488 2.818 50 0 EFAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000219942575 474150628 /nfs/dbraw/zinc/15/06/28/474150628.db2.gz XGHQULWXTKWYLB-BVPBIZIASA-N 1 0 342.395 2.519 50 0 EFAARO CN(C)c1ccc(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000219998302 474151000 /nfs/dbraw/zinc/15/10/00/474151000.db2.gz PDLMJRJAWSYEAF-QGZVFWFLSA-N 1 0 329.488 2.818 50 0 EFAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1cccnc1 ZINC000220035161 474152259 /nfs/dbraw/zinc/15/22/59/474152259.db2.gz ICKHTYFTDSTZND-HXUWFJFHSA-N 1 0 337.467 2.995 50 0 EFAARO Cc1c[nH+]ccc1N1CCN(C(=O)CCCOc2ccccc2)CC1 ZINC000220094592 474153207 /nfs/dbraw/zinc/15/32/07/474153207.db2.gz SVBMBZVDEIAETQ-UHFFFAOYSA-N 1 0 339.439 2.898 50 0 EFAARO CC[NH+](CC)Cc1cc(C(=O)NCCc2nnc(C)s2)c(C)o1 ZINC000221241203 474160145 /nfs/dbraw/zinc/16/01/45/474160145.db2.gz JLUIYRCITKWPNG-UHFFFAOYSA-N 1 0 336.461 2.562 50 0 EFAARO CCCc1nc(C)c(CNc2cc(C3CC([NH3+])C3)nc(N)n2)s1 ZINC000222805463 474173817 /nfs/dbraw/zinc/17/38/17/474173817.db2.gz OEBOEOVNRVCZHC-UHFFFAOYSA-N 1 0 332.477 2.593 50 0 EFAARO CC(C)Cn1cncc1CNC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000222934037 474177466 /nfs/dbraw/zinc/17/74/66/474177466.db2.gz OCPIHAIIPAUXOZ-GOSISDBHSA-N 1 0 340.471 2.645 50 0 EFAARO O=C1C[C@H](Cc2cccc(N3CC[NH2+]CC3)c2)CN1c1ccccc1 ZINC000223083881 474177985 /nfs/dbraw/zinc/17/79/85/474177985.db2.gz NZWSOBQROUJWRW-SFHVURJKSA-N 1 0 335.451 2.692 50 0 EFAARO O=C1C[C@@H](Cc2cccc(N3CC[NH2+]CC3)c2)CN1c1ccccc1 ZINC000223083827 474178434 /nfs/dbraw/zinc/17/84/34/474178434.db2.gz NZWSOBQROUJWRW-GOSISDBHSA-N 1 0 335.451 2.692 50 0 EFAARO c1nc(CO[C@H]2CCOC[C@H]2[NH2+]C2Cc3ccccc3C2)cs1 ZINC000223042435 474178462 /nfs/dbraw/zinc/17/84/62/474178462.db2.gz IQHAXHGRNGZNPM-MSOLQXFVSA-N 1 0 330.453 2.574 50 0 EFAARO Cc1cccc2[nH]c(CCN(C)c3cc(C4CC([NH3+])C4)ncn3)nc21 ZINC000223180750 474181080 /nfs/dbraw/zinc/18/10/80/474181080.db2.gz SFLSXURSVGQKSW-UHFFFAOYSA-N 1 0 336.443 2.545 50 0 EFAARO O=C(CC[NH+]1Cc2ccccc2C1)N1CC[C@@](O)(c2ccccc2)C1 ZINC000223415806 474185691 /nfs/dbraw/zinc/18/56/91/474185691.db2.gz MDJUZNCLAZTCFR-NRFANRHFSA-N 1 0 336.435 2.512 50 0 EFAARO Nc1nc(NCC2(COc3ccccc3)CC2)cc(C2CC([NH3+])C2)n1 ZINC000223698684 474189022 /nfs/dbraw/zinc/18/90/22/474189022.db2.gz FHNSNKCMWDLJJN-UHFFFAOYSA-N 1 0 339.443 2.535 50 0 EFAARO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CC[C@@H](O)CC3)C2)c1 ZINC000247883212 474219591 /nfs/dbraw/zinc/21/95/91/474219591.db2.gz CPBFJNNGQDMOAF-YSIASYRMSA-N 1 0 344.499 2.793 50 0 EFAARO O=C([C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCCC1 ZINC000229220034 474249934 /nfs/dbraw/zinc/24/99/34/474249934.db2.gz KEIWJERWWKHGBJ-IEBWSBKVSA-N 1 0 338.455 2.953 50 0 EFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+][C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000239338754 474544719 /nfs/dbraw/zinc/54/47/19/474544719.db2.gz LEFMFIUYTZNGGI-COXVUDFISA-N 1 0 330.428 2.886 50 0 EFAARO O=C(CC1Cc2ccccc2C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000240517134 474550115 /nfs/dbraw/zinc/55/01/15/474550115.db2.gz NVKDDQIOXYRNHE-UHFFFAOYSA-N 1 0 344.524 2.831 50 0 EFAARO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)C[NH+]1CCCCCCC1 ZINC000244724047 474564745 /nfs/dbraw/zinc/56/47/45/474564745.db2.gz MMLUIOPBHZHEHA-UHFFFAOYSA-N 1 0 332.423 2.927 50 0 EFAARO Cc1ccc(CN(C)Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)s1 ZINC000244724002 474565169 /nfs/dbraw/zinc/56/51/69/474565169.db2.gz MLVXIDGHYYLRPS-BETUJISGSA-N 1 0 331.489 2.820 50 0 EFAARO CC[N@H+](CCCOc1ccc(C(N)=O)cc1)[C@H]1CCOC(C)(C)C1 ZINC000244900017 474568106 /nfs/dbraw/zinc/56/81/06/474568106.db2.gz ZUNJRZFLEAQIHI-INIZCTEOSA-N 1 0 334.460 2.834 50 0 EFAARO C[C@@H](Cc1cnccn1)[N@H+](C)CCC(=O)NCc1cccc(Cl)c1 ZINC000252492070 474676386 /nfs/dbraw/zinc/67/63/86/474676386.db2.gz MBURRWBXLZBSQQ-AWEZNQCLSA-N 1 0 346.862 2.699 50 0 EFAARO CC(C)c1noc(C2CC[NH+](CCC(=O)Nc3cccnc3)CC2)n1 ZINC000252500674 474683760 /nfs/dbraw/zinc/68/37/60/474683760.db2.gz TTWOJQOISPHORT-UHFFFAOYSA-N 1 0 343.431 2.796 50 0 EFAARO Cc1cn2c(nc(C[N@@H+](C)[C@H](C)Cc3cc(C)ccn3)cc2=O)s1 ZINC000252508423 474685723 /nfs/dbraw/zinc/68/57/23/474685723.db2.gz XNEQJCMWJQACTK-CYBMUJFWSA-N 1 0 342.468 2.831 50 0 EFAARO C[N@H+](CCC(=O)NC1CCCCCC1)Cc1cnc2ccccn12 ZINC000252508585 474687311 /nfs/dbraw/zinc/68/73/11/474687311.db2.gz XPKLDCNVRNQNPO-UHFFFAOYSA-N 1 0 328.460 2.995 50 0 EFAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(=O)[nH]1 ZINC000278539218 474688782 /nfs/dbraw/zinc/68/87/82/474688782.db2.gz FQPDZKRRMOMICR-UHFFFAOYSA-N 1 0 345.830 2.835 50 0 EFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc2nccnc2c1 ZINC000253411819 474740771 /nfs/dbraw/zinc/74/07/71/474740771.db2.gz PEDJMXVHGYZJPT-QFBILLFUSA-N 1 0 338.455 2.966 50 0 biogenic EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000253408905 474741779 /nfs/dbraw/zinc/74/17/79/474741779.db2.gz LEXFSZZAGBNIPR-RBUKOAKNSA-N 1 0 325.456 2.872 50 0 EFAARO CC(=O)c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000349045703 475898709 /nfs/dbraw/zinc/89/87/09/475898709.db2.gz FMVHTEHJQQVYMU-HUUCEWRRSA-N 1 0 346.427 2.965 50 0 EFAARO Cc1nc(C)c(CNC(=O)c2ccc(C)c(OCCC[NH3+])c2)s1 ZINC000299769419 476153198 /nfs/dbraw/zinc/15/31/98/476153198.db2.gz NEHFUXJWDFZLAQ-UHFFFAOYSA-N 1 0 333.457 2.726 50 0 EFAARO CN1CC[NH+](C[C@@H]2CCCN(Cc3sccc3Cl)C2)CC1 ZINC000374814502 476540459 /nfs/dbraw/zinc/54/04/59/476540459.db2.gz MEHCGLCEHGJZIM-AWEZNQCLSA-N 1 0 327.925 2.861 50 0 EFAARO Nc1ccc(-c2ccc(C(=O)NCCCC[NH+]3CCCC3)cc2)cn1 ZINC000426436817 477709873 /nfs/dbraw/zinc/70/98/73/477709873.db2.gz XOAXEKOKRCLHQO-UHFFFAOYSA-N 1 0 338.455 2.937 50 0 EFAARO Cc1nc2ccc(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2o1 ZINC000426518899 477712384 /nfs/dbraw/zinc/71/23/84/477712384.db2.gz CUCFYCPNLHWKGL-INIZCTEOSA-N 1 0 343.427 2.509 50 0 EFAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2ccn(CCO)n2)C1 ZINC000426526457 477714256 /nfs/dbraw/zinc/71/42/56/477714256.db2.gz QFAYUVDVMNKTEG-MRXNPFEDSA-N 1 0 329.444 2.654 50 0 EFAARO Cn1c(CC[NH3+])nnc1SCc1ccc(C(F)(F)F)c(F)c1 ZINC000426545098 477719367 /nfs/dbraw/zinc/71/93/67/477719367.db2.gz POYUFFUHNDWQPK-UHFFFAOYSA-N 1 0 334.342 2.767 50 0 EFAARO CCC[N@@H+]1CCC[C@H](CNC(=O)N2CC(Oc3cccc(C)c3)C2)C1 ZINC000426550063 477720820 /nfs/dbraw/zinc/72/08/20/477720820.db2.gz PMIQUMBIKDTWJJ-QGZVFWFLSA-N 1 0 345.487 2.890 50 0 EFAARO COCC1(CNC(=O)c2cccc(-c3c[nH+]ccc3N)c2)CCC1 ZINC000426628313 477729569 /nfs/dbraw/zinc/72/95/69/477729569.db2.gz RBHMUVPPTNBAOL-UHFFFAOYSA-N 1 0 325.412 2.708 50 0 EFAARO CN1CC[C@H]([N@H+](C)CCC(=O)NCc2ccc3sccc3c2)C1 ZINC000426647894 477732134 /nfs/dbraw/zinc/73/21/34/477732134.db2.gz HSHVWTRTKCCKQB-INIZCTEOSA-N 1 0 331.485 2.544 50 0 EFAARO Cc1nc([C@@H]2CCOC2)cc(N(CC[NH+](C)C)Cc2ccccc2)n1 ZINC000426712844 477741534 /nfs/dbraw/zinc/74/15/34/477741534.db2.gz XEBFBJCHUQFZID-GOSISDBHSA-N 1 0 340.471 2.857 50 0 EFAARO Cc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2OCC[NH3+])cn1 ZINC000426712290 477742312 /nfs/dbraw/zinc/74/23/12/477742312.db2.gz YZRHBADDJAWBPD-GFCCVEGCSA-N 1 0 333.819 2.872 50 0 EFAARO CCCC[C@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)C1([NH3+])CC1 ZINC000426727310 477744281 /nfs/dbraw/zinc/74/42/81/477744281.db2.gz BZRPLCWHXLLKJW-HNNXBMFYSA-N 1 0 349.862 2.565 50 0 EFAARO COc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000367944159 477764764 /nfs/dbraw/zinc/76/47/64/477764764.db2.gz XDHXNVYQRFNBEI-QZTJIDSGSA-N 1 0 328.387 2.710 50 0 EFAARO CN(Cc1ccccc1C[NH+](C)C)C(=O)NCCC1(O)CCCC1 ZINC000534575269 478157362 /nfs/dbraw/zinc/15/73/62/478157362.db2.gz HJXCNPLJUNHXRI-UHFFFAOYSA-N 1 0 333.476 2.585 50 0 EFAARO CCN(Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCN(CC)CC1 ZINC000534577372 478159500 /nfs/dbraw/zinc/15/95/00/478159500.db2.gz HTHRFQVNWWGMKR-UHFFFAOYSA-N 1 0 346.519 2.634 50 0 EFAARO CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000534590860 478160942 /nfs/dbraw/zinc/16/09/42/478160942.db2.gz DZKMGCOSBNPZDH-CYBMUJFWSA-N 1 0 349.454 2.616 50 0 EFAARO COc1cccc(CN(C(=O)NC[C@H](C)[NH+]2CCCC2)C2CC2)c1 ZINC000534587456 478161414 /nfs/dbraw/zinc/16/14/14/478161414.db2.gz LZHTZZSPQZJTGN-HNNXBMFYSA-N 1 0 331.460 2.854 50 0 EFAARO Cc1c[nH]c([C@@H](C)NC(=O)N2CCC(CC[NH+]3CCCC3)CC2)n1 ZINC000534639265 478164991 /nfs/dbraw/zinc/16/49/91/478164991.db2.gz OWPCLTFRIQBQHO-OAHLLOKOSA-N 1 0 333.480 2.687 50 0 EFAARO CCc1ccc(CN(CCOC)C(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000534647946 478165992 /nfs/dbraw/zinc/16/59/92/478165992.db2.gz LVWUVXMTTYWJEO-SFHVURJKSA-N 1 0 330.472 2.614 50 0 EFAARO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(-c3cnn4ccccc34)c2)C1 ZINC000534652169 478166419 /nfs/dbraw/zinc/16/64/19/478166419.db2.gz BLMNTHAFOSLVRI-KRWDZBQOSA-N 1 0 334.423 2.777 50 0 EFAARO Cc1ccccc1[C@H](CNC(=O)N(C)CCCn1cccn1)[NH+](C)C ZINC000534660339 478167454 /nfs/dbraw/zinc/16/74/54/478167454.db2.gz NKZUDBMZYQPLOU-SFHVURJKSA-N 1 0 343.475 2.526 50 0 EFAARO CCOC(=O)N1CCC([NH2+]CCc2nc3ccccc3n2CC)CC1 ZINC000534674551 478168180 /nfs/dbraw/zinc/16/81/80/478168180.db2.gz AYDWUBBSNBHJKM-UHFFFAOYSA-N 1 0 344.459 2.809 50 0 EFAARO CC[C@H](CNC(=O)N(C)Cc1ccc2nonc2c1)[NH+]1CCCCC1 ZINC000534671549 478168498 /nfs/dbraw/zinc/16/84/98/478168498.db2.gz AZXAKFPPBNKNKC-OAHLLOKOSA-N 1 0 345.447 2.629 50 0 EFAARO CCOC(=O)N1CCC([NH2+][C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000584893925 479274153 /nfs/dbraw/zinc/27/41/53/479274153.db2.gz SOMMQIIDESGZNE-GOSISDBHSA-N 1 0 342.443 2.835 50 0 EFAARO CCN(Cc1noc(C2CC2)n1)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000584894080 479274755 /nfs/dbraw/zinc/27/47/55/479274755.db2.gz YYXQQFMIQPKAMP-AWEZNQCLSA-N 1 0 349.479 2.601 50 0 EFAARO CC[C@H](Cn1ccnc1)[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC000584899148 479275116 /nfs/dbraw/zinc/27/51/16/479275116.db2.gz QYGGVBXDTGUIIQ-MRXNPFEDSA-N 1 0 328.460 2.929 50 0 EFAARO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ccc(C)cc3C)CC2)C1 ZINC000584899269 479275187 /nfs/dbraw/zinc/27/51/87/479275187.db2.gz QJNIHUDAURRRLR-SFHVURJKSA-N 1 0 344.503 2.619 50 0 EFAARO C[NH+](C)CC[C@@H](NC(=O)NCC1(O)CCCCC1)c1ccccc1 ZINC000584898413 479275346 /nfs/dbraw/zinc/27/53/46/479275346.db2.gz IBFFSIGLGZGHIU-QGZVFWFLSA-N 1 0 333.476 2.674 50 0 EFAARO Cc1ccc(C)c([C@@H](NC(=O)N(C)CC[NH+](C)C)c2cccnc2)c1 ZINC000584897617 479275887 /nfs/dbraw/zinc/27/58/87/479275887.db2.gz PKNWJWAOEPALCA-IBGZPJMESA-N 1 0 340.471 2.991 50 0 EFAARO CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H](c3nccn3C)C2)c1 ZINC000585135021 479295382 /nfs/dbraw/zinc/29/53/82/479295382.db2.gz UQAGXTJZHIJGMK-FUHWJXTLSA-N 1 0 340.471 2.986 50 0 EFAARO CCO/C=C/[C@](O)(C[NH2+]Cc1cnc(C(C)(C)C)nc1)C(F)(F)F ZINC000585136205 479296349 /nfs/dbraw/zinc/29/63/49/479296349.db2.gz WAVDADCVTCQOQY-LFAOLKIESA-N 1 0 347.381 2.707 50 0 EFAARO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000585136810 479296625 /nfs/dbraw/zinc/29/66/25/479296625.db2.gz UAYOWUFGWGWCSZ-JONQDZQNSA-N 1 0 336.476 2.791 50 0 EFAARO CC(C)n1ccc(C(=O)NC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000215233234 535086139 /nfs/dbraw/zinc/08/61/39/535086139.db2.gz KBSQMYRBVFXMJA-UHFFFAOYSA-N 1 0 332.473 2.920 50 0 EFAARO CCN(Cc1noc(C)n1)C(=O)NCC1([NH+]2CCCCC2)CCCC1 ZINC000426502991 535396880 /nfs/dbraw/zinc/39/68/80/535396880.db2.gz NJNXJPMONQOLMP-UHFFFAOYSA-N 1 0 349.479 2.708 50 0 EFAARO CCCc1ccc(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)o1 ZINC000216280469 535416266 /nfs/dbraw/zinc/41/62/66/535416266.db2.gz LPRAGIUCFVBHLV-UHFFFAOYSA-N 1 0 333.476 2.538 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2ncccc2OC)c1 ZINC000426513492 535568162 /nfs/dbraw/zinc/56/81/62/535568162.db2.gz BRLYPNCLZGPMSZ-QGZVFWFLSA-N 1 0 339.439 2.971 50 0 EFAARO CC[NH+]1CCN(c2ccccc2NC(=O)OCC(F)(F)F)CC1 ZINC000062149303 535756018 /nfs/dbraw/zinc/75/60/18/535756018.db2.gz DCYLAOLQPYVATP-UHFFFAOYSA-N 1 0 331.338 2.939 50 0 EFAARO C[N@H+](CCC(=O)Nc1ccc(F)cc1F)CCC1(O)CCCC1 ZINC000244673901 536307299 /nfs/dbraw/zinc/30/72/99/536307299.db2.gz HXRUNZMAQVPUHO-UHFFFAOYSA-N 1 0 326.387 2.920 50 0 EFAARO C[N@H+](CCC(=O)Nc1nccs1)CCc1nc2ccccc2[nH]1 ZINC000244882562 536307583 /nfs/dbraw/zinc/30/75/83/536307583.db2.gz XUCFZCWODPNFMV-UHFFFAOYSA-N 1 0 329.429 2.523 50 0 EFAARO CN1CCN(C(=O)C2([NH+]3CCCC3)CCCC2)C[C@H]1c1ccccc1 ZINC000215555612 536400738 /nfs/dbraw/zinc/40/07/38/536400738.db2.gz XWXWTCKBECOOEH-IBGZPJMESA-N 1 0 341.499 2.910 50 0 EFAARO COc1ccc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)cn1 ZINC000670437783 547489522 /nfs/dbraw/zinc/48/95/22/547489522.db2.gz RLJVZZRPKLEIRC-KRWDZBQOSA-N 1 0 339.439 2.618 50 0 EFAARO Cc1n[nH]c(C)c1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000670450619 547491168 /nfs/dbraw/zinc/49/11/68/547491168.db2.gz GMLQHSOWSFLXHG-LJQANCHMSA-N 1 0 340.471 2.912 50 0 EFAARO COc1ccc([C@@H]([NH3+])Cc2ncnn2-c2cccc(C)c2)cc1OC ZINC000670474088 547495926 /nfs/dbraw/zinc/49/59/26/547495926.db2.gz IEWZOGZAMXECGS-INIZCTEOSA-N 1 0 338.411 2.835 50 0 EFAARO COCC[N@@H+]1CC[C@@H](c2ncnn2-c2cccc(C(F)(F)F)c2)C1 ZINC000670472133 547496551 /nfs/dbraw/zinc/49/65/51/547496551.db2.gz SQPSBEDPVDVYDS-GFCCVEGCSA-N 1 0 340.349 2.722 50 0 EFAARO C[N@H+](CCCOc1ccc(Cl)cc1)CC[C@@H]1CCS(=O)(=O)C1 ZINC000677677633 548746674 /nfs/dbraw/zinc/74/66/74/548746674.db2.gz BOOCLXZUFIYXQZ-CQSZACIVSA-N 1 0 345.892 2.866 50 0 EFAARO NC(=O)c1c[nH]nc1[C@@H]1CCCC[N@@H+]1CC1CCC(F)(F)CC1 ZINC000685939962 550196820 /nfs/dbraw/zinc/19/68/20/550196820.db2.gz WLLZDUJGJNHBIN-ZDUSSCGKSA-N 1 0 326.391 2.861 50 0 EFAARO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000685940647 550197041 /nfs/dbraw/zinc/19/70/41/550197041.db2.gz QPHPNOIAWWIUJD-LRDDRELGSA-N 1 0 340.489 2.991 50 0 EFAARO OCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)cc1 ZINC000685940823 550197597 /nfs/dbraw/zinc/19/75/97/550197597.db2.gz JEXILAQFLFMIKS-PXNSSMCTSA-N 1 0 339.439 2.993 50 0 EFAARO Cc1cc(C[N@H+]2C[C@H](c3nnc(C(C)C)[nH]3)[C@@H](C3CC3)C2)ncn1 ZINC000685942122 550197607 /nfs/dbraw/zinc/19/76/07/550197607.db2.gz GFJIWIRABSXOSH-CVEARBPZSA-N 1 0 326.448 2.652 50 0 EFAARO C[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCCCCC1)n1cccc1 ZINC000584884859 564131442 /nfs/dbraw/zinc/13/14/42/564131442.db2.gz UBXILXNRKZBDDG-KRWDZBQOSA-N 1 0 333.476 2.591 50 0 EFAARO Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)Cc2cnccn2)c(C)c1 ZINC000252500123 568419117 /nfs/dbraw/zinc/41/91/17/568419117.db2.gz SNJLRFYZWZHTBW-INIZCTEOSA-N 1 0 326.444 2.985 50 0 EFAARO Cc1ccc(NC(=O)N2CCC(CO)(C[NH+](C)C)CC2)cc1Cl ZINC001772700820 1249284093 /nfs/dbraw/zinc/28/40/93/1249284093.db2.gz FZQWEPRCPLJJKN-UHFFFAOYSA-N 1 0 339.867 2.816 50 0 EFAARO Cc1nc[nH]c1CN(CCO)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC001772701351 1249283808 /nfs/dbraw/zinc/28/38/08/1249283808.db2.gz LPJNONAFAFPRTB-UHFFFAOYSA-N 1 0 348.516 2.760 50 0 EFAARO Clc1cnn(CCN2C[C@H]3C[NH2+]C[C@@]3(CCc3ccccc3)C2)c1 ZINC001772705694 1249289683 /nfs/dbraw/zinc/28/96/83/1249289683.db2.gz ZFRHHNDDCRGDED-MJGOQNOKSA-N 1 0 344.890 2.691 50 0 EFAARO CN(C)c1nc(NC[C@H](c2cccnc2)[NH+]2CCCCC2)ncc1F ZINC001772703813 1249287025 /nfs/dbraw/zinc/28/70/25/1249287025.db2.gz QEUVURCRXSORDZ-MRXNPFEDSA-N 1 0 344.438 2.716 50 0 EFAARO CCCCn1c2ccccc2nc1C[N@@H+]1C[C@@H]2COCC[C@]2(CO)C1 ZINC001772708049 1249294779 /nfs/dbraw/zinc/29/47/79/1249294779.db2.gz CLOYICGUDPFWEA-OXQOHEQNSA-N 1 0 343.471 2.667 50 0 EFAARO CN(C)c1nc(NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)ncc1F ZINC001772710485 1249297564 /nfs/dbraw/zinc/29/75/64/1249297564.db2.gz ARPJBBVFWMWMDY-ZDUSSCGKSA-N 1 0 333.411 2.599 50 0 EFAARO C[NH+]1CCC(O)(c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)CC1 ZINC000823761067 1265424803 /nfs/dbraw/zinc/42/48/03/1265424803.db2.gz CJVKVGHAFQYKHX-UHFFFAOYSA-N 1 0 344.459 2.594 50 0 EFAARO C[N@@H+]1CCC[C@@H](CCC(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000823770577 1265427744 /nfs/dbraw/zinc/42/77/44/1265427744.db2.gz AHKDIUCORGHIAL-KRWDZBQOSA-N 1 0 345.487 2.579 50 0 EFAARO O=C(CC[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1)NC1CC1 ZINC000012304901 1265838836 /nfs/dbraw/zinc/83/88/36/1265838836.db2.gz GJWHOZBVTLQKQC-AWEZNQCLSA-N 1 0 326.444 2.834 50 0 EFAARO Cc1cccc(-n2ccnc2C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000012316603 1265906212 /nfs/dbraw/zinc/90/62/12/1265906212.db2.gz GELXFVVJIHTDSQ-QGZVFWFLSA-N 1 0 348.454 2.729 50 0 EFAARO COC(=O)c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)CCC2=O)cc1 ZINC000012329678 1266052447 /nfs/dbraw/zinc/05/24/47/1266052447.db2.gz QCSFURKJIPTRTR-SFHVURJKSA-N 1 0 344.455 2.840 50 0 EFAARO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000884070423 1257077787 /nfs/dbraw/zinc/07/77/87/1257077787.db2.gz LJMPPSWCLVGOQZ-GOSISDBHSA-N 1 0 345.406 2.862 50 0 EFAARO O=C(COc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256420 1263288505 /nfs/dbraw/zinc/28/85/05/1263288505.db2.gz HWNCOGFYPINXCU-OAHLLOKOSA-N 1 0 334.416 2.657 50 0 EFAARO CN1CCC([N@@H+]2CCC[C@H](NC(=O)Cc3ccccc3Cl)C2)CC1 ZINC000011711380 1263374925 /nfs/dbraw/zinc/37/49/25/1263374925.db2.gz WBCYROSKDTWDAB-INIZCTEOSA-N 1 0 349.906 2.557 50 0 EFAARO CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccn2-c2ccccn2)C1 ZINC000011912490 1264485598 /nfs/dbraw/zinc/48/55/98/1264485598.db2.gz GYZILTCKGQETBB-MJGOQNOKSA-N 1 0 338.455 2.705 50 0 EFAARO CC(=O)N1CCO[C@H](CNc2cc(C)c3ccc(C)c(C)c3n2)C1 ZINC000820570184 1264789638 /nfs/dbraw/zinc/78/96/38/1264789638.db2.gz OJTYIBCTMXRBFI-MRXNPFEDSA-N 1 0 327.428 2.819 50 0 EFAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C(C)(C)n1cccc1 ZINC000821768626 1264995654 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CC(C)C1=NO[C@@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)C1 ZINC001506431475 1405767874 /nfs/dbraw/zinc/76/78/74/1405767874.db2.gz LPGMCZKAJLHSNN-MRXNPFEDSA-N 1 0 335.473 2.583 50 0 EFAARO Cc1c(Cl)cccc1C(=O)N1CC[C@@]2(CO)CCC[N@@H+](C)[C@@H]2C1 ZINC001704299159 1417901146 /nfs/dbraw/zinc/90/11/46/1417901146.db2.gz NMDUNQNZIHEWCS-SJLPKXTDSA-N 1 0 336.863 2.567 50 0 EFAARO Cc1cc(C(N)=O)c(NC[C@H]2CCC[N@H+](Cc3ccco3)C2)nc1C ZINC001704300330 1417901360 /nfs/dbraw/zinc/90/13/60/1417901360.db2.gz UTWZDEMBGRBREC-OAHLLOKOSA-N 1 0 342.443 2.714 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)CCCc1ccccc1 ZINC001704305954 1417901836 /nfs/dbraw/zinc/90/18/36/1417901836.db2.gz YBLBIHYDPCFPHB-UHFFFAOYSA-N 1 0 328.460 2.631 50 0 EFAARO COc1cccc(OC)c1C[NH+]1CCC2(CC1)C[C@](C)(O)CCO2 ZINC001704312022 1417904348 /nfs/dbraw/zinc/90/43/48/1417904348.db2.gz XMQHWJOWPJLYBN-GOSISDBHSA-N 1 0 335.444 2.600 50 0 EFAARO CCNC(=O)c1ccc(N[C@H](CC[NH+](C)C)c2ccccc2)nc1 ZINC001704313639 1417904972 /nfs/dbraw/zinc/90/49/72/1417904972.db2.gz KUTPOFYRIJZWDW-QGZVFWFLSA-N 1 0 326.444 2.936 50 0 EFAARO Cc1cc(Cl)ccc1C[NH+]1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O ZINC001704315532 1417905468 /nfs/dbraw/zinc/90/54/68/1417905468.db2.gz JDCOTGXGVYHASH-DLBZAZTESA-N 1 0 339.863 2.515 50 0 EFAARO CCc1cc(C[N@@H+]2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)on1 ZINC001704314824 1417905482 /nfs/dbraw/zinc/90/54/82/1417905482.db2.gz VCQJMTIZBKPKCA-LJQANCHMSA-N 1 0 341.459 2.573 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)CC(C)(C)c1ccccc1 ZINC001704325412 1417906923 /nfs/dbraw/zinc/90/69/23/1417906923.db2.gz LERDHAAZJKWARN-UHFFFAOYSA-N 1 0 342.487 2.976 50 0 EFAARO Cc1nc(CN(CC[NH+](C)C)C(=O)Cc2cccc(Cl)c2)c[nH]1 ZINC001704326187 1417907905 /nfs/dbraw/zinc/90/79/05/1417907905.db2.gz WYDILEMKNCTDPY-UHFFFAOYSA-N 1 0 334.851 2.504 50 0 EFAARO OCC[C@@H]1C[N@@H+](C2CCSCC2)CCN1CCCc1ccccc1 ZINC000022918414 715440259 /nfs/dbraw/zinc/44/02/59/715440259.db2.gz RUYXXDASSNLDAG-HXUWFJFHSA-N 1 0 348.556 2.883 50 0 EFAARO c1[nH]nc(C2CCCCC2)c1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000022926641 715512463 /nfs/dbraw/zinc/51/24/63/715512463.db2.gz BWPWUVGEPLSJLD-SFHVURJKSA-N 1 0 332.492 2.754 50 0 EFAARO COc1ccc(C[NH2+][C@@H]2CC(=O)N(CC3CCCCC3)C2)cc1O ZINC000014968009 717790660 /nfs/dbraw/zinc/79/06/60/717790660.db2.gz RLOOIJOAZDNZET-MRXNPFEDSA-N 1 0 332.444 2.672 50 0 EFAARO Cn1ccnc1C[NH2+]C1CCN(c2cccc(-c3cc[nH]n3)c2)CC1 ZINC000023368806 718105342 /nfs/dbraw/zinc/10/53/42/718105342.db2.gz KXZNTYDBYSQHRT-UHFFFAOYSA-N 1 0 336.443 2.569 50 0 EFAARO O=C1CC[N@@H+](C2CCN(c3ccc(-c4ccco4)cc3)CC2)CCN1 ZINC000023478472 718207635 /nfs/dbraw/zinc/20/76/35/718207635.db2.gz RVWHHOYEFDXWDS-UHFFFAOYSA-N 1 0 339.439 2.737 50 0 EFAARO Cc1nccn1-c1ccc(N2CCC([NH2+]C[C@@H]3CCCO3)CC2)cc1 ZINC000023505786 718226709 /nfs/dbraw/zinc/22/67/09/718226709.db2.gz IARQXXPKEKIRHT-FQEVSTJZSA-N 1 0 340.471 2.918 50 0 EFAARO Cc1cc(F)ccc1CN1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000981456571 718732011 /nfs/dbraw/zinc/73/20/11/718732011.db2.gz CXNAEVOLXUSGNT-IBGZPJMESA-N 1 0 347.478 2.653 50 0 EFAARO COc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccn3)C2)cc1F ZINC000020208641 719445901 /nfs/dbraw/zinc/44/59/01/719445901.db2.gz DORVSXRPFQQOJK-KRWDZBQOSA-N 1 0 329.419 2.984 50 0 EFAARO C[C@H](C(=O)N1CCCN(Cc2ccc(F)cc2)CC1)n1cccc1 ZINC000130698770 729130920 /nfs/dbraw/zinc/13/09/20/729130920.db2.gz DNKFMZVNOYADJE-MRXNPFEDSA-N 1 0 329.419 2.923 50 0 EFAARO CCOc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CCCOC3)CC2)cc1 ZINC000989591495 1106460087 /nfs/dbraw/zinc/46/00/87/1106460087.db2.gz XHJVAZGHWYMXKX-QGZVFWFLSA-N 1 0 346.471 2.660 50 0 EFAARO Cn1cc(-c2ccnc(NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)cn1 ZINC000082039417 1109772696 /nfs/dbraw/zinc/77/26/96/1109772696.db2.gz VBKIEDIWFGJWGQ-KRWDZBQOSA-N 1 0 348.454 2.811 50 0 EFAARO N#Cc1ccccc1CN1c2ccccc2NC2(CC[NH2+]CC2)C1=O ZINC000082147547 1109802167 /nfs/dbraw/zinc/80/21/67/1109802167.db2.gz MJFZMBVHRDBDQY-UHFFFAOYSA-N 1 0 332.407 2.639 50 0 EFAARO O=S(=O)(c1ccc(F)cc1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000004745396 210267493 /nfs/dbraw/zinc/26/74/93/210267493.db2.gz JJRAXOKJZQBTTH-UHFFFAOYSA-N 1 0 340.464 2.855 50 0 EFAARO O=C(CCc1ccncc1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000097618872 219041790 /nfs/dbraw/zinc/04/17/90/219041790.db2.gz HTBOPZCWHNSIHA-UHFFFAOYSA-N 1 0 329.469 2.857 50 0 EFAARO Cc1ccc2cccc(OCCNC(=O)[C@H]3CCCC[N@H+]3C)c2n1 ZINC000097637856 219043653 /nfs/dbraw/zinc/04/36/53/219043653.db2.gz OZEMSHNBFGBOCF-MRXNPFEDSA-N 1 0 327.428 2.523 50 0 EFAARO Cn1cnc2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)ccc21 ZINC000097636620 219043689 /nfs/dbraw/zinc/04/36/89/219043689.db2.gz MUKQTMBRQOFWQC-QGZVFWFLSA-N 1 0 338.411 2.733 50 0 EFAARO CCCCCC(=O)O[C@@H](CN1CCCC1=O)C[NH+]1CCCCCC1 ZINC000004729446 210262765 /nfs/dbraw/zinc/26/27/65/210262765.db2.gz UODGGJZLMTYHDJ-QGZVFWFLSA-N 1 0 338.492 2.977 50 0 EFAARO O=C1OCC[C@H]2[C@@H]1[C@H]1CCC[N@@H+]1C21CCN(Cc2ccccc2)CC1 ZINC000004722433 210259412 /nfs/dbraw/zinc/25/94/12/210259412.db2.gz QTWXGPYSKRWGJN-IPMKNSEASA-N 1 0 340.467 2.679 50 0 EFAARO Cc1ccc(OCCCN(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000055036378 214264666 /nfs/dbraw/zinc/26/46/66/214264666.db2.gz PSBPEMYHUUNIPL-SFHVURJKSA-N 1 0 330.472 2.920 50 0 EFAARO CCn1cc(C[NH2+][C@@H]2CCCc3nc(-c4cccnc4)ncc32)cn1 ZINC000055042077 214267139 /nfs/dbraw/zinc/26/71/39/214267139.db2.gz FMUOIJYEZUZYCX-QGZVFWFLSA-N 1 0 334.427 2.922 50 0 EFAARO COCC[N@@H+]1CC[C@H](C(=O)N(C)CCCSc2ccccc2)C1 ZINC000055052617 214268419 /nfs/dbraw/zinc/26/84/19/214268419.db2.gz FXYJRQKVKFZLJE-INIZCTEOSA-N 1 0 336.501 2.596 50 0 EFAARO COc1cccc2c1OCC(C[N@H+](C)[C@H](C)Cc1cnccn1)=C2 ZINC000097743438 219053472 /nfs/dbraw/zinc/05/34/72/219053472.db2.gz BAQIAGDOVQSOCK-CQSZACIVSA-N 1 0 325.412 2.824 50 0 EFAARO CCCC[N@H+](Cc1ccco1)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000055072422 214269659 /nfs/dbraw/zinc/26/96/59/214269659.db2.gz UNVZCEOEKNTIBT-UHFFFAOYSA-N 1 0 336.457 2.990 50 0 EFAARO COc1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc2c1OCO2 ZINC000097743020 219053791 /nfs/dbraw/zinc/05/37/91/219053791.db2.gz UOGALRRCMAMLEJ-CQSZACIVSA-N 1 0 327.384 2.594 50 0 EFAARO CCCCn1ncc(C)c1NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000055108353 214274823 /nfs/dbraw/zinc/27/48/23/214274823.db2.gz VOGWTSJNPKAHBK-MRXNPFEDSA-N 1 0 339.443 2.981 50 0 EFAARO CC[C@H](C[NH2+]Cc1cnc(-c2cccc(C)c2)nc1)N1CCOCC1 ZINC000055053041 214268091 /nfs/dbraw/zinc/26/80/91/214268091.db2.gz UUYFQOHFDLBMCG-LJQANCHMSA-N 1 0 340.471 2.652 50 0 EFAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(C3CC3)n[nH]2)s1 ZINC000055133624 214277543 /nfs/dbraw/zinc/27/75/43/214277543.db2.gz GXMVTJAVRTZJGP-UHFFFAOYSA-N 1 0 332.473 2.861 50 0 EFAARO COCC[N@H+](Cc1cccs1)Cc1cccn1-c1ncccn1 ZINC000055183282 214285834 /nfs/dbraw/zinc/28/58/34/214285834.db2.gz SPRKMXQRYKKDNL-UHFFFAOYSA-N 1 0 328.441 2.977 50 0 EFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CC2(Cn3cccn3)CC2)cc1 ZINC000055198674 214287505 /nfs/dbraw/zinc/28/75/05/214287505.db2.gz MYGGUFNHNVJVBL-UHFFFAOYSA-N 1 0 325.391 2.982 50 0 EFAARO CCc1oc(C(=O)N(C)CC2(CO)CCC2)cc1C[NH+](CC)CC ZINC000055242602 214294038 /nfs/dbraw/zinc/29/40/38/214294038.db2.gz CWDDFDUYALWNOS-UHFFFAOYSA-N 1 0 336.476 2.918 50 0 EFAARO CCc1oc(C(=O)NCCc2c(C)n[nH]c2C)cc1C[NH+](CC)CC ZINC000055244700 214294273 /nfs/dbraw/zinc/29/42/73/214294273.db2.gz ZXVHZCDENSISFT-UHFFFAOYSA-N 1 0 346.475 2.996 50 0 EFAARO O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH2+]Cc1ccc(Cl)s1 ZINC000055327645 214307769 /nfs/dbraw/zinc/30/77/69/214307769.db2.gz ZLLMVMOQTYHFMD-MRXNPFEDSA-N 1 0 342.892 2.645 50 0 EFAARO CCc1oc(C(=O)N[C@@H](C)CCn2cccn2)cc1C[NH+]1CCCC1 ZINC000055383825 214314761 /nfs/dbraw/zinc/31/47/61/214314761.db2.gz QCNPTQUSHVSRDY-HNNXBMFYSA-N 1 0 344.459 2.843 50 0 EFAARO CNC(=O)c1ccc(C[NH2+]Cc2cc(C)c(OC(C)=O)c(C)c2)cc1 ZINC000055359973 214311758 /nfs/dbraw/zinc/31/17/58/214311758.db2.gz NFACFALWMUMQDR-UHFFFAOYSA-N 1 0 340.423 2.878 50 0 EFAARO O[C@H]1CN(Cc2ccc(OC3CCCC3)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000097759258 219055997 /nfs/dbraw/zinc/05/59/97/219055997.db2.gz GDRLBYCENYVTKL-PMACEKPBSA-N 1 0 330.472 2.649 50 0 EFAARO CCOc1ccc(C(=O)CCC(=O)NCCC[NH+]2CCCC2)cc1C ZINC000055401157 214318379 /nfs/dbraw/zinc/31/83/79/214318379.db2.gz RCZDVCGEKQTKSZ-UHFFFAOYSA-N 1 0 346.471 2.959 50 0 EFAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)CCc1cccnc1 ZINC000055393671 214318572 /nfs/dbraw/zinc/31/85/72/214318572.db2.gz YGJBZZJKQKYQFQ-UHFFFAOYSA-N 1 0 331.485 2.975 50 0 EFAARO COCC[C@H]1CCCC[N@@H+]1Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055393581 214318807 /nfs/dbraw/zinc/31/88/07/214318807.db2.gz QWLRDBHMMHTBSY-QGZVFWFLSA-N 1 0 343.471 2.908 50 0 EFAARO COc1cccc(CN(C)[C@H](C)c2ccon2)c1OCC[NH+](C)C ZINC000055402010 214319108 /nfs/dbraw/zinc/31/91/08/214319108.db2.gz QMROOIDTYUYTNN-CQSZACIVSA-N 1 0 333.432 2.817 50 0 EFAARO COc1ccc(CNC(=O)CC[NH+]2CCCCCCC2)cc1OC ZINC000055414293 214322436 /nfs/dbraw/zinc/32/24/36/214322436.db2.gz HLWFNDZAOWFQPW-UHFFFAOYSA-N 1 0 334.460 2.976 50 0 EFAARO COCC[N@H+](Cc1cccs1)Cc1ccc(-n2cncn2)cc1 ZINC000055414248 214322698 /nfs/dbraw/zinc/32/26/98/214322698.db2.gz VWJYJNIZEGOSKE-UHFFFAOYSA-N 1 0 328.441 2.977 50 0 EFAARO C[NH+]1CCC(CCC(=O)N[C@H](c2cccnc2)C(F)(F)F)CC1 ZINC000097784743 219056808 /nfs/dbraw/zinc/05/68/08/219056808.db2.gz ANISVLWSDYWZMJ-OAHLLOKOSA-N 1 0 329.366 2.923 50 0 EFAARO COCc1cc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)ccc1OC ZINC000097797582 219057424 /nfs/dbraw/zinc/05/74/24/219057424.db2.gz DXBCSIGUHNHYIZ-FQEVSTJZSA-N 1 0 327.424 2.935 50 0 EFAARO CCN1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000004679844 210246076 /nfs/dbraw/zinc/24/60/76/210246076.db2.gz MVGYSWXCCBUPQT-UHFFFAOYSA-N 1 0 349.906 2.716 50 0 EFAARO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000056908340 214395236 /nfs/dbraw/zinc/39/52/36/214395236.db2.gz MUEFBFDNRPCKBY-GFCCVEGCSA-N 1 0 346.349 2.882 50 0 EFAARO Cn1cc(CCCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000174507366 231226989 /nfs/dbraw/zinc/22/69/89/231226989.db2.gz HVZRLDNFRITIDG-LJQANCHMSA-N 1 0 340.471 2.524 50 0 EFAARO O=C1Nc2ccc(F)cc2[C@@]12CC[NH2+][C@@H]2c1ccc2c(c1)OCCO2 ZINC000061720048 214675038 /nfs/dbraw/zinc/67/50/38/214675038.db2.gz OUCRRDBJLYGBOD-IEBWSBKVSA-N 1 0 340.354 2.521 50 0 EFAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)Cc2ccsc2)CC1 ZINC000098211935 219087680 /nfs/dbraw/zinc/08/76/80/219087680.db2.gz DTDPBWVSOLKFCN-UHFFFAOYSA-N 1 0 333.457 2.676 50 0 EFAARO CCN1C(=O)C[C@H]([NH+]2CCC(CCc3ccc(F)cc3)CC2)C1=O ZINC000100227753 219095433 /nfs/dbraw/zinc/09/54/33/219095433.db2.gz NMVPYJZWUBFYER-KRWDZBQOSA-N 1 0 332.419 2.618 50 0 EFAARO CCOc1ccc2ccccc2c1C[NH2+]CCSc1nnnn1C ZINC000004488483 210201759 /nfs/dbraw/zinc/20/17/59/210201759.db2.gz AOVXOCRFKXSGCS-UHFFFAOYSA-N 1 0 343.456 2.644 50 0 EFAARO COc1ccc(C[NH2+][C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000100491781 219100382 /nfs/dbraw/zinc/10/03/82/219100382.db2.gz ULRCHGFUVDMHJI-INIZCTEOSA-N 1 0 344.798 2.770 50 0 EFAARO Cc1cc(=O)oc2cc(OC[C@H](O)C[N@H+]3CCC[C@H](C)C3)ccc12 ZINC000004393064 210187846 /nfs/dbraw/zinc/18/78/46/210187846.db2.gz UXDZYVBVMLGTGP-DZGCQCFKSA-N 1 0 331.412 2.573 50 0 EFAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+]1CCCCCC1 ZINC000004338706 210174494 /nfs/dbraw/zinc/17/44/94/210174494.db2.gz NYKAEXUQCRMOFL-UHFFFAOYSA-N 1 0 329.400 2.769 50 0 EFAARO COc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000004271638 210157019 /nfs/dbraw/zinc/15/70/19/210157019.db2.gz DPVVYPQIIZSSEG-UHFFFAOYSA-N 1 0 332.444 2.794 50 0 EFAARO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000004264049 210155656 /nfs/dbraw/zinc/15/56/56/210155656.db2.gz CLWZDTIJKOLXEG-QGZVFWFLSA-N 1 0 349.471 2.825 50 0 EFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2F)n1 ZINC000065380753 214881260 /nfs/dbraw/zinc/88/12/60/214881260.db2.gz HJUCUNIGUPUGBO-LLVKDONJSA-N 1 0 338.814 2.909 50 0 EFAARO Cc1ccc(OC2(C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)CC[NH2+]CC2)cc1 ZINC000065435867 214909951 /nfs/dbraw/zinc/90/99/51/214909951.db2.gz ZUUPUQMTTIAWQP-HDICACEKSA-N 1 0 340.467 2.921 50 0 EFAARO CC(C)C[C@@H]1NC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000004081721 210114738 /nfs/dbraw/zinc/11/47/38/210114738.db2.gz RLTXBGNBTNFYNF-KRWDZBQOSA-N 1 0 329.444 2.618 50 0 biogenic EFAARO CCCC[N@H+](C)CCCNC(=O)C(=O)c1c(C)n(C)c2ccccc21 ZINC000004062751 210112207 /nfs/dbraw/zinc/11/22/07/210112207.db2.gz PQFBCSHYWVNJPK-UHFFFAOYSA-N 1 0 343.471 2.908 50 0 EFAARO COc1ccc(-n2cccn2)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)c1 ZINC000102007592 219180081 /nfs/dbraw/zinc/18/00/81/219180081.db2.gz WRLBLMRDQORPEL-QWHZDKJVSA-N 1 0 327.428 2.738 50 0 EFAARO O[C@H](Cn1c2ccccc2nc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000003654640 210071710 /nfs/dbraw/zinc/07/17/10/210071710.db2.gz BWYXVBAQESXIMF-LBPRGKRZSA-N 1 0 327.350 2.902 50 0 EFAARO CC[NH+](CC)Cc1cnc2c(C(=O)NC3CCCCC3)cnn2c1 ZINC000067432899 215145123 /nfs/dbraw/zinc/14/51/23/215145123.db2.gz SLQCDKIXKIRCNE-UHFFFAOYSA-N 1 0 329.448 2.634 50 0 EFAARO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](CNC(=O)c2cnccn2)C1 ZINC000067459962 215149346 /nfs/dbraw/zinc/14/93/46/215149346.db2.gz SZDDAYFUDWWZDW-KRWDZBQOSA-N 1 0 338.455 2.735 50 0 EFAARO COc1ccc(C)cc1NC(=O)NC[C@@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000067432387 215145411 /nfs/dbraw/zinc/14/54/11/215145411.db2.gz SZMZYZTYTLXTTP-HNNXBMFYSA-N 1 0 347.459 2.626 50 0 EFAARO O=C([C@H]1CCC[NH2+]1)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067472656 215150966 /nfs/dbraw/zinc/15/09/66/215150966.db2.gz MPRWZOWPKRXWNW-LJQANCHMSA-N 1 0 346.434 2.867 50 0 EFAARO Cc1cccc([C@H](c2nc(CC3CC[NH+](C)CC3)no2)N(C)C)c1 ZINC000067489730 215153256 /nfs/dbraw/zinc/15/32/56/215153256.db2.gz CYHBIJYJPRDCGN-GOSISDBHSA-N 1 0 328.460 2.913 50 0 EFAARO Cc1ccc2[nH]c(CN(C)C[C@]3(O)CCC[N@@H+]4CCCC[C@@H]43)nc2c1 ZINC000067562557 215163005 /nfs/dbraw/zinc/16/30/05/215163005.db2.gz XVVHYEYJCRGPNK-UYAOXDASSA-N 1 0 342.487 2.683 50 0 EFAARO CCNc1nc(NCCNC(=O)Nc2ccccc2C)cc(C)[nH+]1 ZINC000067604274 215167599 /nfs/dbraw/zinc/16/75/99/215167599.db2.gz SDWLEPCWAHPUCA-UHFFFAOYSA-N 1 0 328.420 2.759 50 0 EFAARO CCNc1nc(NCCNC(=O)Nc2cccc(F)c2C)cc(C)[nH+]1 ZINC000067604906 215167692 /nfs/dbraw/zinc/16/76/92/215167692.db2.gz RIPGHGGTWDSEDR-UHFFFAOYSA-N 1 0 346.410 2.898 50 0 EFAARO Cc1cc(C[C@H](C)Nc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)n[nH]1 ZINC000067649551 215173838 /nfs/dbraw/zinc/17/38/38/215173838.db2.gz UWJMBFQMXGWUSZ-ZDUSSCGKSA-N 1 0 348.454 2.864 50 0 EFAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1-c1nc2ccccc2[nH]c1=O ZINC000067673359 215178597 /nfs/dbraw/zinc/17/85/97/215178597.db2.gz CGGFPHQHRPLECY-UHFFFAOYSA-N 1 0 346.394 2.998 50 0 EFAARO CC[N@@H+]1CCO[C@H](CCNC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC000067675471 215180271 /nfs/dbraw/zinc/18/02/71/215180271.db2.gz BHCWGISXKLRWTN-OAHLLOKOSA-N 1 0 329.444 2.625 50 0 EFAARO CCC[N@@H+]1CCC=C([C@@H]2c3nc[nH]c3CCN2C(=O)c2ccco2)C1 ZINC000067675861 215180328 /nfs/dbraw/zinc/18/03/28/215180328.db2.gz GMNYWDIEZMAXRV-GOSISDBHSA-N 1 0 340.427 2.784 50 0 EFAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCO[C@H](CC[NH3+])C1 ZINC000067675219 215181690 /nfs/dbraw/zinc/18/16/90/215181690.db2.gz MEZBXMJBIWHNSZ-OAHLLOKOSA-N 1 0 335.835 2.853 50 0 EFAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)C2([NH3+])CC2)CCO3)s1 ZINC000067678784 215182608 /nfs/dbraw/zinc/18/26/08/215182608.db2.gz SHVZRRDCWLDMIZ-UHFFFAOYSA-N 1 0 344.436 2.641 50 0 EFAARO Cc1cc(=O)oc2cc(C[N@@H+](C[C@@H]3CCC(=O)N3)C(C)C)ccc12 ZINC000067679235 215183776 /nfs/dbraw/zinc/18/37/76/215183776.db2.gz LUCFADQGUAKRNN-HNNXBMFYSA-N 1 0 328.412 2.590 50 0 EFAARO Cc1ccccc1-c1noc([C@H](C)Nc2cc(CC[NH3+])nc(C)n2)n1 ZINC000067679365 215184633 /nfs/dbraw/zinc/18/46/33/215184633.db2.gz WPGVAJULXUBLNC-LBPRGKRZSA-N 1 0 338.415 2.818 50 0 EFAARO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3nn(C)cc3Cl)C2)cc1 ZINC000067712667 215190536 /nfs/dbraw/zinc/19/05/36/215190536.db2.gz UTXURIRJEIJBJU-OAHLLOKOSA-N 1 0 346.862 2.634 50 0 EFAARO CC(=O)NC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cc(C)ccc2C)C1 ZINC000067713638 215191409 /nfs/dbraw/zinc/19/14/09/215191409.db2.gz DWLYQIDWKAGONB-MRXNPFEDSA-N 1 0 326.444 2.652 50 0 EFAARO COc1ccc2[nH]c(C(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)c(C)c2c1 ZINC000067691766 215185490 /nfs/dbraw/zinc/18/54/90/215185490.db2.gz MJNMPOBVSQCPFJ-IBGZPJMESA-N 1 0 327.428 2.701 50 0 EFAARO Cc1cc(C)n(C[C@H](C)[NH2+]C2CCN(Cc3cccc(O)c3)CC2)n1 ZINC000067695627 215187810 /nfs/dbraw/zinc/18/78/10/215187810.db2.gz IEURXIJIITZCEL-INIZCTEOSA-N 1 0 342.487 2.848 50 0 EFAARO CC1=C(CC[N@@H+]2CC[C@@H](CNS(C)(=O)=O)C2)C(C)(C)CCC1 ZINC000067743833 215201967 /nfs/dbraw/zinc/20/19/67/215201967.db2.gz KSOUYTRARVLZTM-HNNXBMFYSA-N 1 0 328.522 2.774 50 0 EFAARO [NH3+]C[C@@H]1Cc2cc(F)cc(-c3ccc(N4CCCCCC4)nn3)c2O1 ZINC000067743582 215202159 /nfs/dbraw/zinc/20/21/59/215202159.db2.gz YXIMEKKHXUYCCD-HNNXBMFYSA-N 1 0 342.418 2.925 50 0 EFAARO COc1ccc(OC)c(-c2nc(CN3CCC([NH3+])CC3)c(C)o2)c1 ZINC000067727014 215195888 /nfs/dbraw/zinc/19/58/88/215195888.db2.gz LRGNXKJMXNOODK-UHFFFAOYSA-N 1 0 331.416 2.590 50 0 EFAARO C[NH+]1CCC(Cc2noc(CCn3cnc4ccccc43)n2)CC1 ZINC000067741320 215200275 /nfs/dbraw/zinc/20/02/75/215200275.db2.gz USVGINNZADCWNO-UHFFFAOYSA-N 1 0 325.416 2.546 50 0 EFAARO c1nn2cc(CN3CCC[C@@]4(CC[NH2+]C4)C3)cnc2c1-c1ccccc1 ZINC000067756328 215204842 /nfs/dbraw/zinc/20/48/42/215204842.db2.gz BKQLWICERGOTIN-NRFANRHFSA-N 1 0 347.466 2.972 50 0 EFAARO COc1ccc2[nH]c(=O)c(C[N@H+](C)CCC[C@@H]3CCCO3)cc2c1 ZINC000067774201 215208820 /nfs/dbraw/zinc/20/88/20/215208820.db2.gz LGLIWARDKNVONI-MRXNPFEDSA-N 1 0 330.428 2.928 50 0 EFAARO CC[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc(C)o2)CC[NH2+]1 ZINC000067774249 215208897 /nfs/dbraw/zinc/20/88/97/215208897.db2.gz RCGXZKOHLQNXBP-CQSZACIVSA-N 1 0 341.411 2.664 50 0 EFAARO O=C(c1scc2c1CCCC2)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000067772613 215209724 /nfs/dbraw/zinc/20/97/24/215209724.db2.gz WEHDSXWWGDVPPJ-INIZCTEOSA-N 1 0 348.512 2.688 50 0 EFAARO COc1ccc(OC)c(-c2nc(CN3C[C@@H](C)[NH2+]C[C@@H]3C)c(C)o2)c1 ZINC000067820590 215220922 /nfs/dbraw/zinc/22/09/22/215220922.db2.gz AYFCVALGCAVTAA-OLZOCXBDSA-N 1 0 345.443 2.849 50 0 EFAARO COc1ccc(-c2nc(CN3C[C@@H](C)[NH2+]C[C@@H]3C)c(C)o2)cc1OC ZINC000067820545 215221740 /nfs/dbraw/zinc/22/17/40/215221740.db2.gz OARFBLJEDLPIFR-OLZOCXBDSA-N 1 0 345.443 2.849 50 0 EFAARO CC(C)NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccnc(C(C)C)n2)C1 ZINC000067820646 215222094 /nfs/dbraw/zinc/22/20/94/215222094.db2.gz BSYOQDAOAFWAJU-HNNXBMFYSA-N 1 0 333.480 2.520 50 0 EFAARO CCn1c(=O)n(Cc2ccc(C(C)C)cc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067846951 215228304 /nfs/dbraw/zinc/22/83/04/215228304.db2.gz SYZIXSPQKSFNRP-QGZVFWFLSA-N 1 0 328.460 2.703 50 0 EFAARO Cc1cc2c(c(-c3cc(C(=O)N4CCCC4)ccn3)c1)O[C@H](C[NH3+])C2 ZINC000067847462 215230612 /nfs/dbraw/zinc/23/06/12/215230612.db2.gz XHWOOLRFWOGSQF-INIZCTEOSA-N 1 0 337.423 2.555 50 0 EFAARO c1ccc(NCCNc2nc(-c3ccncc3)nc3c2CC[NH2+]C3)cc1 ZINC000067851856 215231045 /nfs/dbraw/zinc/23/10/45/215231045.db2.gz GAAIFUXODPDWTL-UHFFFAOYSA-N 1 0 346.438 2.708 50 0 EFAARO Cc1cccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccncc3)C2)c1 ZINC000067851608 215231426 /nfs/dbraw/zinc/23/14/26/215231426.db2.gz FZSXSUIRWIREEH-LJQANCHMSA-N 1 0 338.455 2.711 50 0 EFAARO c1cc(-c2ccc(CN3CCC([NH+]4CCSCC4)CC3)o2)n[nH]1 ZINC000067850925 215232143 /nfs/dbraw/zinc/23/21/43/215232143.db2.gz QRTVFLZBPPKJQD-UHFFFAOYSA-N 1 0 332.473 2.683 50 0 EFAARO CCS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000067878692 215237883 /nfs/dbraw/zinc/23/78/83/215237883.db2.gz FUWSPQRSVMNQLD-INIZCTEOSA-N 1 0 346.496 2.991 50 0 EFAARO CNc1ccc(C)cc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000067878943 215239243 /nfs/dbraw/zinc/23/92/43/215239243.db2.gz QJWWSFUNGIBZLC-MRXNPFEDSA-N 1 0 338.455 2.684 50 0 EFAARO Cc1cccc2cc(CN3CCC([NH+]4CCCC4)CC3)c(=O)[nH]c12 ZINC000067868111 215234078 /nfs/dbraw/zinc/23/40/78/215234078.db2.gz TVVUVYKELLUWGF-UHFFFAOYSA-N 1 0 325.456 2.897 50 0 EFAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](CCNC(=O)NC2CCCC2)C1 ZINC000067895251 215243430 /nfs/dbraw/zinc/24/34/30/215243430.db2.gz AASOUPRUADELER-HNNXBMFYSA-N 1 0 333.480 2.562 50 0 EFAARO CN(Cc1ccccc1)c1ncccc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000067894914 215243983 /nfs/dbraw/zinc/24/39/83/215243983.db2.gz OOSJGXJLHJBMAT-FQEVSTJZSA-N 1 0 336.483 2.902 50 0 EFAARO CC(C)c1nc2ccccc2n1CC(=O)NCC1CC[NH+](C)CC1 ZINC000067883645 215240565 /nfs/dbraw/zinc/24/05/65/215240565.db2.gz DECPGMZQSBMCNI-UHFFFAOYSA-N 1 0 328.460 2.618 50 0 EFAARO CC[C@]1(CO)CCC[N@H+](Cc2cc3ccc(OC)cc3[nH]c2=O)C1 ZINC000067910180 215248994 /nfs/dbraw/zinc/24/89/94/215248994.db2.gz JWWUULVIEJPPHX-IBGZPJMESA-N 1 0 330.428 2.521 50 0 EFAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(F)c(F)c2F)C1 ZINC000067921297 215251225 /nfs/dbraw/zinc/25/12/25/215251225.db2.gz IEJSPHQZRHBZBN-LBPRGKRZSA-N 1 0 328.378 2.741 50 0 EFAARO Cc1nc2c(cccc2C(=O)NC[C@@H]2CC[N@H+](Cc3ccco3)C2)[nH]1 ZINC000067921817 215251722 /nfs/dbraw/zinc/25/17/22/215251722.db2.gz HOUKIGIJRXAKRA-AWEZNQCLSA-N 1 0 338.411 2.716 50 0 EFAARO Cc1nc2ccc(Cl)cn2c1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000067934135 215253323 /nfs/dbraw/zinc/25/33/23/215253323.db2.gz UFPJOCFXQMYDKL-CYBMUJFWSA-N 1 0 334.851 2.758 50 0 EFAARO CCC[N@H+]1CC=C(CNC(=O)c2cccc3c2OC(F)(F)O3)CC1 ZINC000067966126 215262314 /nfs/dbraw/zinc/26/23/14/215262314.db2.gz NFOGWFDTROTYAR-UHFFFAOYSA-N 1 0 338.354 2.780 50 0 EFAARO CC(C)CC[C@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cccs2)C1=O ZINC000067947130 215256308 /nfs/dbraw/zinc/25/63/08/215256308.db2.gz GYVZNWVUMDHQEA-GOSISDBHSA-N 1 0 349.500 2.975 50 0 EFAARO [NH3+]C1(C(=O)N2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)CCC1 ZINC000067955280 215258675 /nfs/dbraw/zinc/25/86/75/215258675.db2.gz YIWGYZGHWOWXGB-INIZCTEOSA-N 1 0 338.455 2.588 50 0 EFAARO Cc1ncc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)[nH]1 ZINC000067956129 215259193 /nfs/dbraw/zinc/25/91/93/215259193.db2.gz RYWKLQOOASUWGC-HNNXBMFYSA-N 1 0 327.432 2.670 50 0 EFAARO COc1cc(-c2ccc(F)c3c2O[C@H](C[NH3+])C3)cc(OC)c1OC ZINC000067966178 215261801 /nfs/dbraw/zinc/26/18/01/215261801.db2.gz HRLYNGWMRYSRDK-NSHDSACASA-N 1 0 333.359 2.781 50 0 EFAARO CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C(C)C)C3)C2)cn1 ZINC000067981797 215265729 /nfs/dbraw/zinc/26/57/29/215265729.db2.gz UQTFFMKJFFXVSC-HXUWFJFHSA-N 1 0 345.487 2.951 50 0 EFAARO [NH3+]C[C@H]1Cc2cc(Cl)cc(-c3cc(C(=O)NC4CC4)ccn3)c2O1 ZINC000067982902 215266317 /nfs/dbraw/zinc/26/63/17/215266317.db2.gz ZAMMAHNIKKZBLD-CQSZACIVSA-N 1 0 343.814 2.556 50 0 EFAARO CCOc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000002791803 209914105 /nfs/dbraw/zinc/91/41/05/209914105.db2.gz RVIPJAUWBFRLFG-CYBMUJFWSA-N 1 0 340.370 2.607 50 0 EFAARO COc1ccc(F)c(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)c1 ZINC000104315384 219373271 /nfs/dbraw/zinc/37/32/71/219373271.db2.gz QAWPBASEYNSNAD-QGZVFWFLSA-N 1 0 338.467 2.749 50 0 EFAARO CC(C)(C)C[N@@H+]1CCN(Cc2c(F)cccc2F)C[C@H]1CCO ZINC000104392169 219383416 /nfs/dbraw/zinc/38/34/16/219383416.db2.gz LMLVOUMSRFXBLR-CQSZACIVSA-N 1 0 326.431 2.880 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2ccc(OC(F)F)cc2)C[C@H]1CCO ZINC000104503474 219391188 /nfs/dbraw/zinc/39/11/88/219391188.db2.gz PNZPOJMRCHYLKU-MRXNPFEDSA-N 1 0 342.430 2.813 50 0 EFAARO CC(C)C[N@@H+]1CCN(Cc2ccccc2OC(F)F)C[C@H]1CCO ZINC000104524974 219393018 /nfs/dbraw/zinc/39/30/18/219393018.db2.gz NVZJAJCACTYXSE-MRXNPFEDSA-N 1 0 342.430 2.813 50 0 EFAARO CC1(C)CC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000001780082 209793673 /nfs/dbraw/zinc/79/36/73/209793673.db2.gz ZKXLQCIOURANAD-UHFFFAOYSA-N 1 0 337.851 2.704 50 0 in-vitro EFAARO COCc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)o1 ZINC000039518561 213239881 /nfs/dbraw/zinc/23/98/81/213239881.db2.gz PKCZISMXKBUIQN-QGZVFWFLSA-N 1 0 336.476 2.627 50 0 EFAARO COc1ccc(OC)c(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c1 ZINC000039430114 213236487 /nfs/dbraw/zinc/23/64/87/213236487.db2.gz YMORHGGMGCBRCW-GOSISDBHSA-N 1 0 348.487 2.515 50 0 EFAARO COc1ccc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c(C)c1C ZINC000039379733 213235414 /nfs/dbraw/zinc/23/54/14/213235414.db2.gz VWDFKPMXNPCNOB-LJQANCHMSA-N 1 0 334.504 2.837 50 0 EFAARO Cc1ncc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)s1 ZINC000039364529 213235140 /nfs/dbraw/zinc/23/51/40/213235140.db2.gz WWPBZVPUPAYBSB-MRXNPFEDSA-N 1 0 349.475 2.659 50 0 EFAARO CCNc1cc(NCCNC(=O)Cc2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000038488302 213210290 /nfs/dbraw/zinc/21/02/90/213210290.db2.gz HDAXSYCECIKTHA-UHFFFAOYSA-N 1 0 347.850 2.641 50 0 EFAARO CC(C)[C@@H]1CN(C(=O)Cc2ccc(CO)cc2)CCC[N@@H+]1CC1CC1 ZINC000071751290 215807655 /nfs/dbraw/zinc/80/76/55/215807655.db2.gz TXZUVOGRMZRGJO-FQEVSTJZSA-N 1 0 344.499 2.690 50 0 EFAARO O=C(c1ccncc1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071771324 215824412 /nfs/dbraw/zinc/82/44/12/215824412.db2.gz RYXXPKYJIVPZKK-XUVXKRRUSA-N 1 0 333.435 2.784 50 0 EFAARO C[NH+](C)[C@H]1CCN(c2cc(-c3ccccc3F)nc3ccnn32)C1 ZINC000072129182 216018945 /nfs/dbraw/zinc/01/89/45/216018945.db2.gz KHSNJSJCAPAZNM-ZDUSSCGKSA-N 1 0 325.391 2.676 50 0 EFAARO O=C(CCc1ccncc1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072129254 216019750 /nfs/dbraw/zinc/01/97/50/216019750.db2.gz VAAWJHMRKGGKEJ-NRFANRHFSA-N 1 0 349.478 2.716 50 0 EFAARO COc1ccc([C@@H]2CN(c3nncs3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072121586 216013898 /nfs/dbraw/zinc/01/38/98/216013898.db2.gz IHKZINQSUWAZPC-GVDBMIGSSA-N 1 0 342.468 2.613 50 0 EFAARO Cn1c(CCNC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)nc2ccccc21 ZINC000072121779 216015019 /nfs/dbraw/zinc/01/50/19/216015019.db2.gz IMONQEVXHKTOEC-OAHLLOKOSA-N 1 0 348.450 2.623 50 0 EFAARO COCCc1ncc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)cn1 ZINC000072125403 216016403 /nfs/dbraw/zinc/01/64/03/216016403.db2.gz PDSFSLZLJXWDIY-UHFFFAOYSA-N 1 0 344.434 2.517 50 0 EFAARO COCCC[N@@H+]1C[C@H](c2ccccc2OC)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072135271 216023002 /nfs/dbraw/zinc/02/30/02/216023002.db2.gz YEFGPAXHHWFSIJ-MISYRCLQSA-N 1 0 330.472 2.594 50 0 EFAARO Cn1cc(NC(=O)C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)cn1 ZINC000072145074 216030424 /nfs/dbraw/zinc/03/04/24/216030424.db2.gz YGFZZNQIZKNALP-KRWDZBQOSA-N 1 0 342.443 2.552 50 0 EFAARO Cc1ncsc1CCN(C)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072145736 216032405 /nfs/dbraw/zinc/03/24/05/216032405.db2.gz LAUNHZJCWSABFP-CQSZACIVSA-N 1 0 329.469 2.843 50 0 EFAARO Cc1nn(CCNC(=O)c2ccccc2[C@H]2CC[NH2+]C2)c(C)c1Cl ZINC000072151067 216038926 /nfs/dbraw/zinc/03/89/26/216038926.db2.gz HJKZXILMFSNYOI-AWEZNQCLSA-N 1 0 346.862 2.660 50 0 EFAARO COc1ccc(F)c(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000072151944 216041360 /nfs/dbraw/zinc/04/13/60/216041360.db2.gz XSJNBBJZLHACMK-ZDUSSCGKSA-N 1 0 331.391 2.606 50 0 EFAARO O=C(NCc1cn2ccccc2n1)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072149219 216036838 /nfs/dbraw/zinc/03/68/38/216036838.db2.gz MDOGIHTYQBMHEY-UHFFFAOYSA-N 1 0 348.450 2.806 50 0 EFAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)C(=O)CC(C)C)C1 ZINC000072162645 216050602 /nfs/dbraw/zinc/05/06/02/216050602.db2.gz UYGUUJSKZRUTKT-QGZVFWFLSA-N 1 0 331.460 2.510 50 0 EFAARO COCCCN(C(=O)N[C@@H](C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000072156054 216045934 /nfs/dbraw/zinc/04/59/34/216045934.db2.gz YSVDBOOQTAWJQG-INIZCTEOSA-N 1 0 333.476 2.890 50 0 EFAARO CNc1nc(CN(Cc2cccnc2)[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC000072156942 216046769 /nfs/dbraw/zinc/04/67/69/216046769.db2.gz OKLPGABWEBJSKD-QGZVFWFLSA-N 1 0 343.500 2.676 50 0 EFAARO CN(CC[NH+]1CCCC1)c1nc(C2CCCC2)nc2c1cnn2C ZINC000072158990 216048544 /nfs/dbraw/zinc/04/85/44/216048544.db2.gz KWUSKQRMLKZDMD-UHFFFAOYSA-N 1 0 328.464 2.553 50 0 EFAARO CCS(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000072168325 216059479 /nfs/dbraw/zinc/05/94/79/216059479.db2.gz FOPLMMSPAUIXBY-SFHVURJKSA-N 1 0 336.501 2.633 50 0 EFAARO c1ccc(CCc2noc(-c3ccc(N[C@H]4CC[NH2+]C4)nc3)n2)cc1 ZINC000072173954 216064691 /nfs/dbraw/zinc/06/46/91/216064691.db2.gz CABJKGSIVIURNX-INIZCTEOSA-N 1 0 335.411 2.691 50 0 EFAARO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N(Cc1ccccc1)C1CC1 ZINC000072270751 216094016 /nfs/dbraw/zinc/09/40/16/216094016.db2.gz ZJBSPWVJGGUQFN-QGZVFWFLSA-N 1 0 338.455 2.780 50 0 EFAARO O=C1C[C@H]([NH2+]C2CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000000341917 209541963 /nfs/dbraw/zinc/54/19/63/209541963.db2.gz JWHOXJXPMZLCPS-ZDUSSCGKSA-N 1 0 326.318 2.870 50 0 EFAARO [NH3+]Cc1cc(F)c(I)c(Br)c1 ZINC000169797856 283527316 /nfs/dbraw/zinc/52/73/16/283527316.db2.gz JENORSFHBKUXLH-UHFFFAOYSA-N 1 0 329.938 2.652 50 0 EFAARO c1cnn(CCCNc2nc(-c3ccccc3)nc3c2CC[NH2+]CC3)c1 ZINC000072409079 216200836 /nfs/dbraw/zinc/20/08/36/216200836.db2.gz NMYUNSHRNACURZ-UHFFFAOYSA-N 1 0 348.454 2.531 50 0 EFAARO CCCc1nc(C)c(Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)s1 ZINC000072407267 216197885 /nfs/dbraw/zinc/19/78/85/216197885.db2.gz LDPYXYXURSKWKK-UHFFFAOYSA-N 1 0 342.472 2.616 50 0 EFAARO O=C(N[C@H]1CC[C@H]1[NH2+]C1CCCCC1)c1ccc(-c2nc[nH]n2)cc1 ZINC000072407420 216198116 /nfs/dbraw/zinc/19/81/16/216198116.db2.gz ZALGMDOCVMETJO-SJORKVTESA-N 1 0 339.443 2.655 50 0 EFAARO CCN1C[C@]2(CCC[N@H+](Cc3cn4cccc(C)c4n3)C2)CCC1=O ZINC000072408365 216199077 /nfs/dbraw/zinc/19/90/77/216199077.db2.gz JWPXUBBHTXPFAY-HXUWFJFHSA-N 1 0 340.471 2.867 50 0 EFAARO O=S(=O)(N[C@H]1CC[C@H]1[NH2+]C1CCCC1)c1ccc(Cl)s1 ZINC000072418731 216206610 /nfs/dbraw/zinc/20/66/10/216206610.db2.gz VGYWDSADNNQELB-MNOVXSKESA-N 1 0 334.894 2.743 50 0 EFAARO c1csc(CCNc2nc(C3CCCC3)nc3c2CC[NH2+]CC3)n1 ZINC000072410505 216202402 /nfs/dbraw/zinc/20/24/02/216202402.db2.gz VJCDEHZOPNGXFX-UHFFFAOYSA-N 1 0 343.500 2.934 50 0 EFAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072411650 216203603 /nfs/dbraw/zinc/20/36/03/216203603.db2.gz NQUMEBYKWWJINW-SFHVURJKSA-N 1 0 332.488 2.946 50 0 EFAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)c(C)cc1OC ZINC000072414628 216205112 /nfs/dbraw/zinc/20/51/12/216205112.db2.gz QOYLTAAWGMDSNK-UHFFFAOYSA-N 1 0 348.896 2.667 50 0 EFAARO CCc1nc2c(c(N[C@@H](c3cc(C)ccn3)C3CC3)n1)CC[NH2+]CC2 ZINC000072418926 216207353 /nfs/dbraw/zinc/20/73/53/216207353.db2.gz YYRGZYGKXWXUKK-LJQANCHMSA-N 1 0 337.471 2.994 50 0 EFAARO Cc1ccc(NC(C)(C)C(=O)N[C@H]2CC[C@H]2[NH2+]C2CCOCC2)cc1 ZINC000072419463 216207501 /nfs/dbraw/zinc/20/75/01/216207501.db2.gz SMIBITBOWVCEGV-MSOLQXFVSA-N 1 0 345.487 2.601 50 0 EFAARO COc1ccc2ccccc2c1CNc1nc(N)nc2c1CC[NH2+]CC2 ZINC000072421228 216208794 /nfs/dbraw/zinc/20/87/94/216208794.db2.gz BJHKROZNLDQGIV-UHFFFAOYSA-N 1 0 349.438 2.521 50 0 EFAARO Cc1c2ccccc2oc1Cn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072421796 216210459 /nfs/dbraw/zinc/21/04/59/216210459.db2.gz ASZNDFYLFNJTQY-UHFFFAOYSA-N 1 0 333.395 2.953 50 0 EFAARO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072423675 216213123 /nfs/dbraw/zinc/21/31/23/216213123.db2.gz QXLISAMHBOQZGA-INIZCTEOSA-N 1 0 332.488 2.852 50 0 EFAARO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(CN(C)C)n3C)C2)c(C)c1 ZINC000072427349 216217058 /nfs/dbraw/zinc/21/70/58/216217058.db2.gz XOFLSBHWYKCCRQ-SFHVURJKSA-N 1 0 341.503 2.873 50 0 EFAARO COc1ccc(-c2n[nH]cc2CN(C)C[C@@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000072423931 216213418 /nfs/dbraw/zinc/21/34/18/216213418.db2.gz PVTJWDDOPXAOIP-CQSZACIVSA-N 1 0 346.450 2.998 50 0 EFAARO CC[N@@H+](Cc1cnn(C)c1)C[C@H]1CC[C@@H](Cc2ccc(C)nc2)O1 ZINC000072425239 216214397 /nfs/dbraw/zinc/21/43/97/216214397.db2.gz HNLSUONMSMJUHQ-RBUKOAKNSA-N 1 0 328.460 2.736 50 0 EFAARO Fc1ccc(-c2cc(N3CC[N@@H+]4CCC[C@@H]4C3)n3nccc3n2)cc1 ZINC000072433147 216227220 /nfs/dbraw/zinc/22/72/20/216227220.db2.gz HIRVFTKHERLOAP-MRXNPFEDSA-N 1 0 337.402 2.820 50 0 EFAARO CC(C)Cc1cc(C(=O)N[C@H]2CC[C@H]2[NH2+]C2CCCCC2)n(C)n1 ZINC000072433289 216228157 /nfs/dbraw/zinc/22/81/57/216228157.db2.gz NMRVDNRBWYSDOK-SJORKVTESA-N 1 0 332.492 2.802 50 0 EFAARO CC(C)([NH3+])CN1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072434782 216229421 /nfs/dbraw/zinc/22/94/21/216229421.db2.gz GQOFUGSMANFROV-FQEVSTJZSA-N 1 0 329.488 2.629 50 0 EFAARO CCN1C[C@]2(CCC[N@H+](CCOc3ccc(OC)cc3)C2)CCC1=O ZINC000072431628 216224710 /nfs/dbraw/zinc/22/47/10/216224710.db2.gz FYWGFGGXBYPVLB-HXUWFJFHSA-N 1 0 346.471 2.799 50 0 EFAARO Cc1ocnc1C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072432382 216227009 /nfs/dbraw/zinc/22/70/09/216227009.db2.gz CVHMHAJIJHXFBH-UHFFFAOYSA-N 1 0 329.444 2.710 50 0 EFAARO O=C1CC[C@H]2C[N@H+](Cc3ccco3)CC[C@H]2N1CCc1ccccn1 ZINC000072438991 216233537 /nfs/dbraw/zinc/23/35/37/216233537.db2.gz BXMRXNMLDCMHSH-QFBILLFUSA-N 1 0 339.439 2.730 50 0 EFAARO CCn1ccnc1CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072435566 216230534 /nfs/dbraw/zinc/23/05/34/216230534.db2.gz IDSVPAJREYGFMU-UHFFFAOYSA-N 1 0 328.504 2.989 50 0 EFAARO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(CCC(C)(C)O)c1)C2 ZINC000072436056 216231445 /nfs/dbraw/zinc/23/14/45/216231445.db2.gz WNMKOFNVQAVGGW-NRFANRHFSA-N 1 0 344.499 2.948 50 0 EFAARO CCn1c(C)cc(C(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)c1C ZINC000072440533 216234783 /nfs/dbraw/zinc/23/47/83/216234783.db2.gz BGAHWKOIQMZACT-INIZCTEOSA-N 1 0 347.503 2.698 50 0 EFAARO CSCCC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 ZINC000072448045 216237387 /nfs/dbraw/zinc/23/73/87/216237387.db2.gz GOFALZVOGGXBEH-FUHWJXTLSA-N 1 0 347.528 2.690 50 0 EFAARO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072447698 216238166 /nfs/dbraw/zinc/23/81/66/216238166.db2.gz XSHSYZXOUOGLQP-FQEVSTJZSA-N 1 0 330.472 2.558 50 0 EFAARO CCn1cc(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000072453530 216241190 /nfs/dbraw/zinc/24/11/90/216241190.db2.gz LXVWGTQUKAZBLO-UHFFFAOYSA-N 1 0 328.504 2.989 50 0 EFAARO Cc1ncc2c(c1CNC(=O)CCc1ccccc1Cl)CC[NH2+]C2 ZINC000072454811 216241875 /nfs/dbraw/zinc/24/18/75/216241875.db2.gz LYUNYXKFDUBABH-UHFFFAOYSA-N 1 0 343.858 2.938 50 0 EFAARO Cc1nnc(CCC(=O)N(C)CC2([NH+]3CCCCC3)CCCCC2)[nH]1 ZINC000072454645 216242358 /nfs/dbraw/zinc/24/23/58/216242358.db2.gz MOKXDQLLYYHLQS-UHFFFAOYSA-N 1 0 347.507 2.693 50 0 EFAARO Cc1nc(CCCn2ccnc2-c2cc3n(n2)CC[NH2+]C3)sc1C ZINC000072458375 216243640 /nfs/dbraw/zinc/24/36/40/216243640.db2.gz PNCGSWCKMIDUAY-UHFFFAOYSA-N 1 0 342.472 2.556 50 0 EFAARO C[C@@H](C1CCN(C(=O)c2ccn(C(F)F)n2)CC1)[NH+]1CCCC1 ZINC000072473142 216249873 /nfs/dbraw/zinc/24/98/73/216249873.db2.gz CQDQQSKGIMECOB-LBPRGKRZSA-N 1 0 326.391 2.615 50 0 EFAARO COCCCN(Cc1c(F)c(F)ccc1OC)C1CC[NH+](C)CC1 ZINC000072473266 216250014 /nfs/dbraw/zinc/25/00/14/216250014.db2.gz MGFOFFUWZOYKPZ-UHFFFAOYSA-N 1 0 342.430 2.906 50 0 EFAARO Cc1ncc2c(c1CNC(=O)C[C@H]1CCc3ccccc31)CC[NH2+]C2 ZINC000072473006 216250453 /nfs/dbraw/zinc/25/04/53/216250453.db2.gz 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O=C1CCCN1CC[NH+]1CCC(c2nc3cc(F)ccc3[nH]2)CC1 ZINC000244884276 243098595 /nfs/dbraw/zinc/09/85/95/243098595.db2.gz YISNSCZZIVRTMV-UHFFFAOYSA-N 1 0 330.407 2.504 50 0 EFAARO COc1ccccc1OCC[N@@H+]1CC[C@@](O)(c2ccccc2C)C1 ZINC000244723932 243068863 /nfs/dbraw/zinc/06/88/63/243068863.db2.gz MKNGLMMTWPCHOK-FQEVSTJZSA-N 1 0 327.424 2.976 50 0 EFAARO O=C(CC[NH+]1CC(c2nc3ccccc3[nH]2)C1)NC1CCCCC1 ZINC000244719181 243069145 /nfs/dbraw/zinc/06/91/45/243069145.db2.gz LYJNROLEMXQJPF-UHFFFAOYSA-N 1 0 326.444 2.801 50 0 EFAARO c1nnc2ccc(NCCC3CC[NH+](Cc4ccccc4)CC3)nn12 ZINC000020722979 212164027 /nfs/dbraw/zinc/16/40/27/212164027.db2.gz OWGSPUYOYNBXRK-UHFFFAOYSA-N 1 0 336.443 2.839 50 0 EFAARO COc1ccccc1N1CC[NH+](C[C@H](O)COC2CCCCC2)CC1 ZINC000020668491 212160154 /nfs/dbraw/zinc/16/01/54/212160154.db2.gz FELBNIUJXNXIIR-KRWDZBQOSA-N 1 0 348.487 2.527 50 0 EFAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc1C ZINC000020542127 212145736 /nfs/dbraw/zinc/14/57/36/212145736.db2.gz BWQHJPCCDSAJNM-IBGZPJMESA-N 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ZINC000077406784 216896081 /nfs/dbraw/zinc/89/60/81/216896081.db2.gz ATXVWTMUIQKLPF-UHFFFAOYSA-N 1 0 347.890 2.911 50 0 EFAARO Brc1ccc([C@@H](c2ccccn2)N2CC[NH2+]CC2)cc1 ZINC000019932811 212086399 /nfs/dbraw/zinc/08/63/99/212086399.db2.gz OTZYWAILPKQROF-INIZCTEOSA-N 1 0 332.245 2.839 50 0 EFAARO COc1cccc(OC[C@H](O)C[NH2+][C@H](C)CC(C)(C)SC)c1 ZINC000019884552 212079701 /nfs/dbraw/zinc/07/97/01/212079701.db2.gz VCGPUPUUSGONAO-ZIAGYGMSSA-N 1 0 327.490 2.945 50 0 EFAARO c1ccc(COc2cccc(C[NH2+]CCN3CCOCC3)c2)cc1 ZINC000019872122 212077802 /nfs/dbraw/zinc/07/78/02/212077802.db2.gz KCGISNAWROSYOC-UHFFFAOYSA-N 1 0 326.440 2.687 50 0 EFAARO NC(=O)COc1ccc(Cl)cc1C[NH2+]CCc1ccccc1F ZINC000019872419 212077828 /nfs/dbraw/zinc/07/78/28/212077828.db2.gz ZBSIXEQTJQHDEJ-UHFFFAOYSA-N 1 0 336.794 2.676 50 0 EFAARO C[C@@H]1CCC[N@H+](CCC(=O)N(C)Cc2cccc(-n3cccn3)c2)C1 ZINC000019837665 212073934 /nfs/dbraw/zinc/07/39/34/212073934.db2.gz ZWBSTPVRUBWSGO-QGZVFWFLSA-N 1 0 340.471 2.953 50 0 EFAARO 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ZINC000426383689 247272332 /nfs/dbraw/zinc/27/23/32/247272332.db2.gz AJEZEMSKVNGFOY-NNZMDNLPSA-N 1 0 338.455 2.573 50 0 EFAARO C[C@H](CO)CSc1nnc(C2CC[NH2+]CC2)n1Cc1ccccc1 ZINC000426395464 247273899 /nfs/dbraw/zinc/27/38/99/247273899.db2.gz XTWIJOGNYLRINV-CQSZACIVSA-N 1 0 346.500 2.514 50 0 EFAARO CC[C@@H](NC(=O)c1ccc(OC)c(OCC[NH3+])c1)c1ncccc1C ZINC000426389214 247274193 /nfs/dbraw/zinc/27/41/93/247274193.db2.gz FDXOVCHAXVEXNW-OAHLLOKOSA-N 1 0 343.427 2.617 50 0 EFAARO Cn1c(CC[NH3+])nnc1SCc1ccc(F)c(C(F)(F)F)c1 ZINC000426404267 247278120 /nfs/dbraw/zinc/27/81/20/247278120.db2.gz QJBHSVZJOBQMBZ-UHFFFAOYSA-N 1 0 334.342 2.767 50 0 EFAARO CCc1nc(C)c(CNC(=O)c2ccc(C)cc2OCCC[NH3+])s1 ZINC000426428354 247279018 /nfs/dbraw/zinc/27/90/18/247279018.db2.gz QBAIHKITZPAFHQ-UHFFFAOYSA-N 1 0 347.484 2.980 50 0 EFAARO COCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000426471290 247282855 /nfs/dbraw/zinc/28/28/55/247282855.db2.gz BCNIAPHKKMBJFA-HXUWFJFHSA-N 1 0 330.472 2.580 50 0 EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cnn3cccnc23)cc1 ZINC000426477777 247284671 /nfs/dbraw/zinc/28/46/71/247284671.db2.gz RZYXOTGKHIBNET-KRWDZBQOSA-N 1 0 349.438 2.610 50 0 EFAARO CC[C@@H](NC(=O)c1cc(Cl)ccc1OCC[NH3+])c1ccncc1 ZINC000426489804 247286952 /nfs/dbraw/zinc/28/69/52/247286952.db2.gz VSCGSQGTQJOEIC-OAHLLOKOSA-N 1 0 333.819 2.954 50 0 EFAARO Cn1c(CC[NH3+])nnc1SCc1cccc(C(F)(F)F)c1F ZINC000426571563 247291935 /nfs/dbraw/zinc/29/19/35/247291935.db2.gz FRAIPINIIUOZJN-UHFFFAOYSA-N 1 0 334.342 2.767 50 0 EFAARO COc1cc(CSc2nnc(C3CC[NH2+]CC3)n2C)cc(OC)c1 ZINC000426575062 247292628 /nfs/dbraw/zinc/29/26/28/247292628.db2.gz ROXMEEUBDPKSDH-UHFFFAOYSA-N 1 0 348.472 2.592 50 0 EFAARO O=C(CCN1CCCCO1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012572614 211412731 /nfs/dbraw/zinc/41/27/31/211412731.db2.gz PVCBMRGXZKIZGQ-KRWDZBQOSA-N 1 0 337.508 2.707 50 0 EFAARO Cc1ccnn1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC(C)(C)C)C2 ZINC000012476201 211392328 /nfs/dbraw/zinc/39/23/28/211392328.db2.gz KAIXRYVGVLFNPS-HXUWFJFHSA-N 1 0 346.519 2.942 50 0 EFAARO CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCn3cccn3)C2)C1 ZINC000012464223 211389930 /nfs/dbraw/zinc/38/99/30/211389930.db2.gz PBVPWRXAMWVILO-IBGZPJMESA-N 1 0 332.492 2.634 50 0 EFAARO CC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012468975 211389733 /nfs/dbraw/zinc/38/97/33/211389733.db2.gz XFBLNLMHOFBZEN-INIZCTEOSA-N 1 0 336.863 2.642 50 0 EFAARO CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCn3cccn3)C2)C1 ZINC000012464219 211389593 /nfs/dbraw/zinc/38/95/93/211389593.db2.gz PBVPWRXAMWVILO-LJQANCHMSA-N 1 0 332.492 2.634 50 0 EFAARO COCC(=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012448794 211385920 /nfs/dbraw/zinc/38/59/20/211385920.db2.gz WMYUSQKZILFWSN-UHFFFAOYSA-N 1 0 345.487 2.711 50 0 EFAARO CSc1cccc(NC(=O)C(=O)NCC2CC[NH+](C(C)C)CC2)c1 ZINC000012441375 211383417 /nfs/dbraw/zinc/38/34/17/211383417.db2.gz MKPXRSSFXHBKLN-UHFFFAOYSA-N 1 0 349.500 2.584 50 0 EFAARO C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NC1CC[NH+](C)CC1 ZINC000012380601 211361475 /nfs/dbraw/zinc/36/14/75/211361475.db2.gz YYHSSVIZIGMGGV-JTQLQIEISA-N 1 0 331.243 2.971 50 0 EFAARO C[C@H]1CCC[N@H+](C[C@@H](O)COCCOc2ccc(Cl)cc2)C1 ZINC000012377672 211360891 /nfs/dbraw/zinc/36/08/91/211360891.db2.gz MYBQEMJOUOSTPB-GOEBONIOSA-N 1 0 327.852 2.828 50 0 EFAARO COc1ccc(OC)c(COC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000012420192 211375349 /nfs/dbraw/zinc/37/53/49/211375349.db2.gz FACHZQKKZVGCFY-BFYDXBDKSA-N 1 0 337.460 2.559 50 0 EFAARO CCOC(=O)c1cc(C[NH2+]CCc2c(C)[nH]c3ccccc32)on1 ZINC000012410838 211372416 /nfs/dbraw/zinc/37/24/16/211372416.db2.gz MOIHMTLFZGWQDS-UHFFFAOYSA-N 1 0 327.384 2.973 50 0 EFAARO O=C(CCc1ccccn1)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012320776 211345730 /nfs/dbraw/zinc/34/57/30/211345730.db2.gz YLXWTTHLJSYMPF-FQEVSTJZSA-N 1 0 349.478 2.762 50 0 EFAARO O=C1C[C@H]([NH2+]Cc2cccnc2)CN1CCc1cccc(Cl)c1 ZINC000012307922 211342855 /nfs/dbraw/zinc/34/28/55/211342855.db2.gz TWBVZJDJYSBWHC-KRWDZBQOSA-N 1 0 329.831 2.668 50 0 EFAARO O=C1C[C@H]([NH2+]Cc2ccccn2)CN1CCc1cccc(Cl)c1 ZINC000012308693 211342542 /nfs/dbraw/zinc/34/25/42/211342542.db2.gz LWBSUYJSMMWFFH-KRWDZBQOSA-N 1 0 329.831 2.668 50 0 EFAARO COc1ccc(CC2(CO)CC[NH+](Cc3cnn(C)c3C)CC2)cc1 ZINC000012207360 211320775 /nfs/dbraw/zinc/32/07/75/211320775.db2.gz PJVYLDCEDGGKHF-UHFFFAOYSA-N 1 0 343.471 2.554 50 0 EFAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)NC1CC1 ZINC000012112331 211291803 /nfs/dbraw/zinc/29/18/03/211291803.db2.gz YNMWXXXMMRUHES-OAHLLOKOSA-N 1 0 344.455 2.729 50 0 EFAARO CN(C)c1ccc(C[N@@H+]2CC[C@H](Cc3ccc(CO)cc3)C2)cn1 ZINC000091493514 218014554 /nfs/dbraw/zinc/01/45/54/218014554.db2.gz DDZBAYWZYGXVFH-GOSISDBHSA-N 1 0 325.456 2.705 50 0 EFAARO CC[C@]1(CO)CCC[N@H+](CCC(=O)NCc2cccc(Cl)c2)C1 ZINC000091494557 218014588 /nfs/dbraw/zinc/01/45/88/218014588.db2.gz IDVUPUPNYVDPMT-SFHVURJKSA-N 1 0 338.879 2.831 50 0 EFAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]CC1CCCCC1 ZINC000011951120 211274775 /nfs/dbraw/zinc/27/47/75/211274775.db2.gz QWMGLKIUNCEKCG-HXUWFJFHSA-N 1 0 348.462 2.849 50 0 EFAARO FC(F)Oc1ccccc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000011950726 211274892 /nfs/dbraw/zinc/27/48/92/211274892.db2.gz GUSPELMEUQLGOI-CQSZACIVSA-N 1 0 334.370 2.837 50 0 EFAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCCO)C3)CC2)c(F)c1 ZINC000091434403 218005083 /nfs/dbraw/zinc/00/50/83/218005083.db2.gz DYTHLOWXTXPNIH-UHFFFAOYSA-N 1 0 348.462 2.721 50 0 EFAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccco1 ZINC000091434647 218005263 /nfs/dbraw/zinc/00/52/63/218005263.db2.gz VSSCOHQQTBYTHM-UHFFFAOYSA-N 1 0 328.416 2.554 50 0 EFAARO CCc1[nH+]c(N)nc(N2CCC([C@@H](O)c3cccs3)CC2)c1C ZINC000091487057 218012875 /nfs/dbraw/zinc/01/28/75/218012875.db2.gz OHWWLQSJKYYWJJ-OAHLLOKOSA-N 1 0 332.473 2.941 50 0 EFAARO CC[C@@]1(CO)CCC[N@H+](CCC(=O)NCc2cccc(Cl)c2)C1 ZINC000091494560 218014381 /nfs/dbraw/zinc/01/43/81/218014381.db2.gz IDVUPUPNYVDPMT-GOSISDBHSA-N 1 0 338.879 2.831 50 0 EFAARO C[NH+](C)C1(C(=O)NCCn2ccc3ccccc32)Cc2ccccc2C1 ZINC000011822023 211251835 /nfs/dbraw/zinc/25/18/35/211251835.db2.gz XRLWGFJPNOAAHN-UHFFFAOYSA-N 1 0 347.462 2.857 50 0 EFAARO CC(C)([NH3+])C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 ZINC000091505501 218015806 /nfs/dbraw/zinc/01/58/06/218015806.db2.gz VBPAHMXUKSRZMP-OAHLLOKOSA-N 1 0 326.444 2.739 50 0 EFAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1)NC1CC1 ZINC000011873785 211262649 /nfs/dbraw/zinc/26/26/49/211262649.db2.gz LYGHEJCPEGYHAR-CYBMUJFWSA-N 1 0 344.484 2.962 50 0 EFAARO Cc1cccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000011853360 211259252 /nfs/dbraw/zinc/25/92/52/211259252.db2.gz IRFBIVRACWMTII-UHFFFAOYSA-N 1 0 337.467 2.937 50 0 EFAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000091586828 218025642 /nfs/dbraw/zinc/02/56/42/218025642.db2.gz OMQZJSNUFVOZOK-UHFFFAOYSA-N 1 0 330.472 2.846 50 0 EFAARO CCC[NH+]1CCC(N2CCO[C@H](Cc3cccc(OC)c3)C2)CC1 ZINC000011844019 211255549 /nfs/dbraw/zinc/25/55/49/211255549.db2.gz CFFZZMLKZKREGV-HXUWFJFHSA-N 1 0 332.488 2.813 50 0 EFAARO [NH3+]CCc1cccc(CN2CCN(c3cccc(Cl)c3)C(=O)C2)c1 ZINC000091594384 218027941 /nfs/dbraw/zinc/02/79/41/218027941.db2.gz RYDPWYZRIQXCBD-UHFFFAOYSA-N 1 0 343.858 2.690 50 0 EFAARO C[NH+](C)CCNC(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000011817765 211250399 /nfs/dbraw/zinc/25/03/99/211250399.db2.gz OSLCBVCOJRSJAI-QGZVFWFLSA-N 1 0 340.423 2.615 50 0 EFAARO O=C1[C@H]2CC[C@H](C[N@@H+](C3Cc4ccccc4C3)C2)N1Cc1ccccn1 ZINC000091691353 218047693 /nfs/dbraw/zinc/04/76/93/218047693.db2.gz SRXJAYYEHZKKQX-AZUAARDMSA-N 1 0 347.462 2.672 50 0 EFAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(CN(C)C)o1)C2 ZINC000091713189 218052177 /nfs/dbraw/zinc/05/21/77/218052177.db2.gz PWTNHCYUUVYDKK-IAGOWNOFSA-N 1 0 345.487 2.844 50 0 EFAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](CC[C@@H](C)O)CC1 ZINC000011817019 211249141 /nfs/dbraw/zinc/24/91/41/211249141.db2.gz CORGUDWUKDRQDV-OAHLLOKOSA-N 1 0 337.435 2.784 50 0 EFAARO CNc1nc(C)c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)s1 ZINC000091646148 218040072 /nfs/dbraw/zinc/04/00/72/218040072.db2.gz IAWRETGUOQRGPM-HUUCEWRRSA-N 1 0 348.516 2.996 50 0 EFAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1C ZINC000091656568 218040983 /nfs/dbraw/zinc/04/09/83/218040983.db2.gz BQTTVIOCZSIOKV-UHFFFAOYSA-N 1 0 344.499 2.890 50 0 EFAARO CC[C@@H]1CN(C(=O)c2c(F)ccc(OC)c2F)CC[N@@H+]1C(C)C ZINC000091656528 218041360 /nfs/dbraw/zinc/04/13/60/218041360.db2.gz HERNTXOHNNOYNO-GFCCVEGCSA-N 1 0 326.387 2.918 50 0 EFAARO CC[C@H]1CN(C(=O)c2c(F)ccc(OC)c2F)CC[N@@H+]1C(C)C ZINC000091656529 218041434 /nfs/dbraw/zinc/04/14/34/218041434.db2.gz HERNTXOHNNOYNO-LBPRGKRZSA-N 1 0 326.387 2.918 50 0 EFAARO Nc1ncccc1C[NH+]1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 ZINC000091663837 218042868 /nfs/dbraw/zinc/04/28/68/218042868.db2.gz JGYDRKHGTHBQKI-UHFFFAOYSA-N 1 0 342.487 2.811 50 0 EFAARO CSc1nc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cs1 ZINC000091665337 218044563 /nfs/dbraw/zinc/04/45/63/218044563.db2.gz TUYNETWSNMJJHR-CHWSQXEVSA-N 1 0 337.514 2.811 50 0 EFAARO CCCc1nc(C(=O)N2CC[NH+](C3CCSCC3)CC2)cs1 ZINC000091679317 218046233 /nfs/dbraw/zinc/04/62/33/218046233.db2.gz SJLAQFVAKOKBSE-UHFFFAOYSA-N 1 0 339.530 2.749 50 0 EFAARO CCN1CC2(CCC1=O)CC[NH+](Cc1cc(OC)cc(OC)c1)CC2 ZINC000091713698 218053466 /nfs/dbraw/zinc/05/34/66/218053466.db2.gz OVGTULOXVOKYJH-UHFFFAOYSA-N 1 0 346.471 2.928 50 0 EFAARO Cc1cccc(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c1 ZINC000091713938 218054104 /nfs/dbraw/zinc/05/41/04/218054104.db2.gz KZTMGBUYZJTNQG-TZIWHRDSSA-N 1 0 342.483 2.580 50 0 EFAARO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000091746223 218057796 /nfs/dbraw/zinc/05/77/96/218057796.db2.gz KZDXHCNEVURUDG-SFHVURJKSA-N 1 0 326.444 2.910 50 0 EFAARO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3c(Cl)cccc23)C[C@@H]1CO ZINC000091754853 218059348 /nfs/dbraw/zinc/05/93/48/218059348.db2.gz NUOPCFKCXANGDO-ZIAGYGMSSA-N 1 0 346.858 2.735 50 0 EFAARO Cc1cc(-c2ccccc2)nc(C[N@@H+]2CC[C@]3(C2)CCCNC3=O)n1 ZINC000091747116 218059571 /nfs/dbraw/zinc/05/95/71/218059571.db2.gz AFGSRPMNRCQKKP-FQEVSTJZSA-N 1 0 336.439 2.554 50 0 EFAARO Cc1cc(-c2ccccc2)nc(C[N@@H+]2CC[C@@]3(C2)CCCNC3=O)n1 ZINC000091747115 218059703 /nfs/dbraw/zinc/05/97/03/218059703.db2.gz AFGSRPMNRCQKKP-HXUWFJFHSA-N 1 0 336.439 2.554 50 0 EFAARO C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CC[C@@]1(O)C1CCOCC1 ZINC000091756676 218060214 /nfs/dbraw/zinc/06/02/14/218060214.db2.gz ZWLKXHVWOWKJBE-ACJLOTCBSA-N 1 0 325.399 2.964 50 0 EFAARO COC[C@]1(O)CC[N@H+](CCCOc2ccccc2OC)CC1(C)C ZINC000091756727 218060816 /nfs/dbraw/zinc/06/08/16/218060816.db2.gz UPGUDIXSNMVBPE-LJQANCHMSA-N 1 0 337.460 2.574 50 0 EFAARO Cc1cc(C)c2[nH]c(C[NH2+]C[C@@H](CO)Cc3ccco3)cc(=O)c2c1 ZINC000091782024 218065054 /nfs/dbraw/zinc/06/50/54/218065054.db2.gz CUPCUIBNUZPVEA-HNNXBMFYSA-N 1 0 340.423 2.679 50 0 EFAARO Cc1cc(C)c2[nH]c(C[NH2+]C[C@H](CO)Cc3ccco3)cc(=O)c2c1 ZINC000091782022 218065358 /nfs/dbraw/zinc/06/53/58/218065358.db2.gz CUPCUIBNUZPVEA-OAHLLOKOSA-N 1 0 340.423 2.679 50 0 EFAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCOC[C@H](C[NH+](C)C)C1 ZINC000091914532 218088249 /nfs/dbraw/zinc/08/82/49/218088249.db2.gz DVIOBJLJOZWDNG-MRXNPFEDSA-N 1 0 343.471 2.743 50 0 EFAARO Cc1nc2ccsc2c(N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000091934225 218090816 /nfs/dbraw/zinc/09/08/16/218090816.db2.gz ZRDUEHVIJUZBCA-HUUCEWRRSA-N 1 0 346.500 2.530 50 0 EFAARO CCCCc1c(C)[nH+]c(N)nc1N1CCC(Cc2nc(C)no2)CC1 ZINC000091974130 218097526 /nfs/dbraw/zinc/09/75/26/218097526.db2.gz VZNMWJJEMWSRDJ-UHFFFAOYSA-N 1 0 344.463 2.860 50 0 EFAARO O=C(c1sccc1Cl)N1C[C@@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091988553 218098996 /nfs/dbraw/zinc/09/89/96/218098996.db2.gz QLMVJZGTWSBLQL-OLZOCXBDSA-N 1 0 342.892 2.568 50 0 EFAARO COCC[C@]1(O)CC[N@@H+](C2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000091986702 218100007 /nfs/dbraw/zinc/10/00/07/218100007.db2.gz ULBXLQXMFPAYQD-YLJYHZDGSA-N 1 0 332.488 2.765 50 0 EFAARO C[C@@H]1C[N@H+](CCC(=O)N(C)Cc2ccccc2)CC[C@@]1(O)C1CCC1 ZINC000092037196 218107983 /nfs/dbraw/zinc/10/79/83/218107983.db2.gz BDJRIDSWMIONBX-UTKZUKDTSA-N 1 0 344.499 2.908 50 0 EFAARO C[C@@H]([NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1)[C@@H](O)c1ccc(O)cc1 ZINC000092066886 218114847 /nfs/dbraw/zinc/11/48/47/218114847.db2.gz FYNMJMXTOABHEG-NSPYISDASA-N 1 0 342.370 2.585 50 0 EFAARO C[NH2+]CC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000092061729 218111901 /nfs/dbraw/zinc/11/19/01/218111901.db2.gz KOYWMAKOTVIYPU-INIZCTEOSA-N 1 0 326.444 2.530 50 0 EFAARO Cc1oc(C(C)C)cc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000092062185 218112174 /nfs/dbraw/zinc/11/21/74/218112174.db2.gz ZXQNJUXSUSETME-IAGOWNOFSA-N 1 0 348.487 2.878 50 0 EFAARO CSc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010540874 211178951 /nfs/dbraw/zinc/17/89/51/211178951.db2.gz HCBLVYFROCNMPR-UHFFFAOYSA-N 1 0 342.530 2.809 50 0 EFAARO CCc1ccccc1N1C(=O)C[C@@H]([NH2+]C2Cc3ccccc3C2)C1=O ZINC000010493785 211177712 /nfs/dbraw/zinc/17/77/12/211177712.db2.gz STAIOPZRQMLUBS-GOSISDBHSA-N 1 0 334.419 2.638 50 0 EFAARO COc1ccc(-c2ccc(C[NH2+]CCOCCO)o2)cc1Cl ZINC000010436284 211172105 /nfs/dbraw/zinc/17/21/05/211172105.db2.gz MSACUVGUEGMTOU-UHFFFAOYSA-N 1 0 325.792 2.707 50 0 EFAARO CSc1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111254 211148107 /nfs/dbraw/zinc/14/81/07/211148107.db2.gz IEMFESNRXXYDIE-UHFFFAOYSA-N 1 0 342.530 2.953 50 0 EFAARO COc1ccc(OCC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000010018747 211140115 /nfs/dbraw/zinc/14/01/15/211140115.db2.gz IIRCMDSWLCOMCK-GOSISDBHSA-N 1 0 346.402 2.632 50 0 EFAARO CCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000009668623 211113620 /nfs/dbraw/zinc/11/36/20/211113620.db2.gz TZNVIQMDQGZDBM-UHFFFAOYSA-N 1 0 339.399 2.963 50 0 EFAARO Cc1ccc([C@@H]2N=C(NCc3ccco3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009426319 211082569 /nfs/dbraw/zinc/08/25/69/211082569.db2.gz HPCJLEDTWLGSIA-QGZVFWFLSA-N 1 0 349.394 2.571 50 0 EFAARO C[N@@H+]1CCC[C@H](CCC(=O)NCCc2noc(-c3ccccc3)n2)C1 ZINC000095353646 218287482 /nfs/dbraw/zinc/28/74/82/218287482.db2.gz ICEKVICYLLKSDZ-OAHLLOKOSA-N 1 0 342.443 2.517 50 0 EFAARO C[C@@H](Nc1nc(N)[nH+]c2c1CCCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000095354624 218287972 /nfs/dbraw/zinc/28/79/72/218287972.db2.gz VZJNQPIHZCBLBE-LLVKDONJSA-N 1 0 346.456 2.514 50 0 EFAARO CCCc1nnc(NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)o1 ZINC000095352770 218286746 /nfs/dbraw/zinc/28/67/46/218286746.db2.gz CHVFIOBWAHRHLZ-UHFFFAOYSA-N 1 0 332.452 2.692 50 0 EFAARO O=C(NCCCNc1cccnc1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095359889 218292620 /nfs/dbraw/zinc/29/26/20/218292620.db2.gz YLIDLSVDHMPHDC-GOSISDBHSA-N 1 0 338.455 2.781 50 0 EFAARO O=C(NCCOCc1ccccc1)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095359452 218292972 /nfs/dbraw/zinc/29/29/72/218292972.db2.gz YEUSQWUCZHOILK-SFHVURJKSA-N 1 0 330.472 2.974 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1nc2c(s1)CCCC2 ZINC000095355481 218289473 /nfs/dbraw/zinc/28/94/73/218289473.db2.gz HDBAAMROJYMRBB-CQSZACIVSA-N 1 0 335.517 2.945 50 0 EFAARO CN(C)[C@H](C(=O)NCCC[N@H+](C)C1CCCC1)c1ccccc1F ZINC000095357152 218290486 /nfs/dbraw/zinc/29/04/86/218290486.db2.gz FWOCOWOKBFJUBV-SFHVURJKSA-N 1 0 335.467 2.809 50 0 EFAARO CCOc1ncccc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095358862 218291557 /nfs/dbraw/zinc/29/15/57/218291557.db2.gz SHVPRWZITOZIPL-IAGOWNOFSA-N 1 0 343.471 2.817 50 0 EFAARO CN(C)[C@H](C(=O)N(C)CC[N@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC000095367185 218298882 /nfs/dbraw/zinc/29/88/82/218298882.db2.gz KIQFORJZDVCDEA-SFHVURJKSA-N 1 0 335.467 2.761 50 0 EFAARO CC[NH+](CC)CCSc1nnc2c3cc(OC)ccc3n(C)c2n1 ZINC000009060925 211036555 /nfs/dbraw/zinc/03/65/55/211036555.db2.gz XRUNFWJNBFPVGJ-UHFFFAOYSA-N 1 0 345.472 2.959 50 0 EFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cnn(-c2cccc(F)c2)c1 ZINC000095363038 218295555 /nfs/dbraw/zinc/29/55/55/218295555.db2.gz SIQSLFPBFSISPF-KRWDZBQOSA-N 1 0 344.434 2.892 50 0 EFAARO CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)[nH]n1 ZINC000095375298 218307460 /nfs/dbraw/zinc/30/74/60/218307460.db2.gz QPAMKFIIVXNDHZ-OAHLLOKOSA-N 1 0 344.459 2.826 50 0 EFAARO C[C@@H](CCc1ncnn1-c1ccc2ccccc2c1)[NH+]1CCN(C)CC1 ZINC000095374470 218308143 /nfs/dbraw/zinc/30/81/43/218308143.db2.gz ZNDJUYFAXKVZRL-KRWDZBQOSA-N 1 0 349.482 2.989 50 0 EFAARO CCN(C[C@@H](O)c1cccc(O)c1)C(=O)CC1CC[NH+](C(C)C)CC1 ZINC000095368408 218301182 /nfs/dbraw/zinc/30/11/82/218301182.db2.gz CXWDMEGCLFFKCV-LJQANCHMSA-N 1 0 348.487 2.785 50 0 EFAARO CCn1nc(C)c(CCNC(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)c1C ZINC000095368815 218301962 /nfs/dbraw/zinc/30/19/62/218301962.db2.gz MAWPERPMFCZJKT-KRWDZBQOSA-N 1 0 346.519 2.833 50 0 EFAARO Cc1ccc2cccc(OCCn3cc([C@H]4CCC[NH2+]C4)nn3)c2n1 ZINC000095370271 218303374 /nfs/dbraw/zinc/30/33/74/218303374.db2.gz KWNOTFAEUNRGDN-INIZCTEOSA-N 1 0 337.427 2.681 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)CC1 ZINC000095372486 218305370 /nfs/dbraw/zinc/30/53/70/218305370.db2.gz YFHGHQLSQAHPRF-AWEZNQCLSA-N 1 0 329.366 2.922 50 0 EFAARO CCCc1nnc(NC[C@H]2C[C@@H](CO)[N@H+](C)[C@H]2c2ccccc2F)o1 ZINC000095374099 218305967 /nfs/dbraw/zinc/30/59/67/218305967.db2.gz GBYVDZPMZPFHNC-IIYDPXPESA-N 1 0 348.422 2.627 50 0 EFAARO Cc1cccnc1NCCNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095375830 218309339 /nfs/dbraw/zinc/30/93/39/218309339.db2.gz IWMWAYLLBRQWQX-GOSISDBHSA-N 1 0 338.455 2.699 50 0 EFAARO CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](C1CCN(c3ccccc3Cl)CC1)C2 ZINC000095378110 218311054 /nfs/dbraw/zinc/31/10/54/218311054.db2.gz YOWAXZPSYKTDNW-GOEBONIOSA-N 1 0 347.890 2.861 50 0 EFAARO Cc1cc(C)n(C2CN(C(=O)C3CC[NH+](C4CCCCC4)CC3)C2)n1 ZINC000095380978 218313123 /nfs/dbraw/zinc/31/31/23/218313123.db2.gz IITXPCOETNVFGB-UHFFFAOYSA-N 1 0 344.503 2.928 50 0 EFAARO CC(C)c1cc(NC[C@H]2CC(=O)N(c3ccccc3)C2)nc(N)[nH+]1 ZINC000095381978 218314538 /nfs/dbraw/zinc/31/45/38/218314538.db2.gz DANBUROVFZCEFE-CYBMUJFWSA-N 1 0 325.416 2.647 50 0 EFAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCCc2noc(C3CCCC3)n2)C1 ZINC000095382251 218315034 /nfs/dbraw/zinc/31/50/34/218315034.db2.gz WEFAIHLFMFDMIP-SFHVURJKSA-N 1 0 334.464 2.508 50 0 EFAARO Cc1cc(C(F)(F)F)nn1CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000095376269 218309112 /nfs/dbraw/zinc/30/91/12/218309112.db2.gz MXIQKYUECZGJBB-ZDUSSCGKSA-N 1 0 346.397 2.591 50 0 EFAARO CCC(C)(C)OC[C@H](O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000008844704 211011186 /nfs/dbraw/zinc/01/11/86/211011186.db2.gz VBUWNYDTKFBEDV-MRXNPFEDSA-N 1 0 337.460 2.628 50 0 biogenic EFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N(CCO)Cc1ccccc1Cl ZINC000095387477 218319426 /nfs/dbraw/zinc/31/94/26/218319426.db2.gz VPYNBKZGVJGEOC-INIZCTEOSA-N 1 0 338.879 2.925 50 0 EFAARO CCOC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095387129 218319611 /nfs/dbraw/zinc/31/96/11/218319611.db2.gz HOSZWBCTUDLBED-RCCFBDPRSA-N 1 0 330.428 2.714 50 0 EFAARO Cc1nc(-c2ccc(CNC(=O)[C@@H]3CCCCC[N@H+]3C)cc2)no1 ZINC000095390452 218321926 /nfs/dbraw/zinc/32/19/26/218321926.db2.gz WXXSLPXPOZSVQF-INIZCTEOSA-N 1 0 328.416 2.536 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2CCn2cccn2)CC1 ZINC000095391425 218323015 /nfs/dbraw/zinc/32/30/15/218323015.db2.gz VCLGAYGRCWXCQE-GOSISDBHSA-N 1 0 332.492 2.775 50 0 EFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1noc(C2CCCC2)n1 ZINC000095383296 218315854 /nfs/dbraw/zinc/31/58/54/218315854.db2.gz WPTOPQLAEZGWRW-OAHLLOKOSA-N 1 0 334.464 2.650 50 0 EFAARO O=C(NCC1(Cn2cccn2)CC1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095382858 218316023 /nfs/dbraw/zinc/31/60/23/218316023.db2.gz YUZMPJCHOKSEMP-GOSISDBHSA-N 1 0 338.455 2.560 50 0 EFAARO CC[NH+]1CCC(CC(=O)N[C@H](C)c2nncn2C2CCCC2)CC1 ZINC000095385009 218316355 /nfs/dbraw/zinc/31/63/55/218316355.db2.gz HQSHADWCPQLUDS-CQSZACIVSA-N 1 0 333.480 2.692 50 0 EFAARO Cc1nn(CCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)c(C)c1C ZINC000095386588 218317904 /nfs/dbraw/zinc/31/79/04/218317904.db2.gz JGGIQUVDMPCTGM-IBGZPJMESA-N 1 0 340.471 2.705 50 0 EFAARO CC(C)[NH+]1CCC(CC(=O)NCCc2noc(C3CCCC3)n2)CC1 ZINC000095500888 218416064 /nfs/dbraw/zinc/41/60/64/218416064.db2.gz WAKVTXXTEUVYQK-UHFFFAOYSA-N 1 0 348.491 2.896 50 0 EFAARO COc1cc2cccnc2c(NC(=O)NCC[C@@H]2CCC[N@@H+]2C)c1 ZINC000095502723 218416523 /nfs/dbraw/zinc/41/65/23/218416523.db2.gz ROPAXQQTKUGKDC-AWEZNQCLSA-N 1 0 328.416 2.849 50 0 EFAARO C[N@@H+]1CCCN(C(=O)Nc2ccccc2OCc2ccccn2)CC1 ZINC000095504233 218417771 /nfs/dbraw/zinc/41/77/71/218417771.db2.gz MVPXLCMNSXAGGH-UHFFFAOYSA-N 1 0 340.427 2.830 50 0 EFAARO C[C@@H](c1ccc(-c2cccc(OCC(N)=O)c2)cc1)[NH+]1CCOCC1 ZINC000096152038 218628159 /nfs/dbraw/zinc/62/81/59/218628159.db2.gz IBCAXYXZTYEZHG-HNNXBMFYSA-N 1 0 340.423 2.611 50 0 EFAARO Cc1c(C)n(Cc2ccco2)c2ncn(CCC[NH+](C)C)c(=N)c12 ZINC000006719801 210690897 /nfs/dbraw/zinc/69/08/97/210690897.db2.gz UOJPPMAUXZNGCE-UHFFFAOYSA-N 1 0 327.432 2.527 50 0 EFAARO C[C@@H](C[NH+]1CCC(C(=O)NC[C@H]2CCCO2)CC1)c1ccccc1 ZINC000005045742 210372978 /nfs/dbraw/zinc/37/29/78/210372978.db2.gz PJYQXZWPDTULML-QFBILLFUSA-N 1 0 330.472 2.797 50 0 EFAARO CCOc1ccc(Cl)cc1C[NH2+]CCCSc1nnnn1C ZINC000004993811 210353233 /nfs/dbraw/zinc/35/32/33/210353233.db2.gz IZCGBSBXQKUTDY-UHFFFAOYSA-N 1 0 341.868 2.534 50 0 EFAARO CC1(C)CC(NC(=O)NC(=O)c2c(F)cccc2F)CC(C)(C)[NH2+]1 ZINC000000036921 208554004 /nfs/dbraw/zinc/55/40/04/208554004.db2.gz LMXCTDVWWBLDED-UHFFFAOYSA-N 1 0 339.386 2.713 50 0 EFAARO COc1ccc2ccccc2c1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000097259141 219006257 /nfs/dbraw/zinc/00/62/57/219006257.db2.gz DIDUGCSOLHNYPX-SFHVURJKSA-N 1 0 326.440 2.991 50 0 EFAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004859871 210305181 /nfs/dbraw/zinc/30/51/81/210305181.db2.gz JFKFPKNQDPWYHP-STQMWFEESA-N 1 0 343.427 2.871 50 0 EFAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000004863094 210304485 /nfs/dbraw/zinc/30/44/85/210304485.db2.gz ROCDANMCQMBZAV-CYBMUJFWSA-N 1 0 343.427 2.933 50 0 EFAARO CCOc1cc(C[NH2+]CCO)cc(Br)c1OC(C)C ZINC000004838981 210294339 /nfs/dbraw/zinc/29/43/39/210294339.db2.gz GMEKPHCTFCTHJV-UHFFFAOYSA-N 1 0 332.238 2.717 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCn1ccc2c1cccc2OC ZINC000095476558 285256772 /nfs/dbraw/zinc/25/67/72/285256772.db2.gz VXQMEGKDPOXADF-OAHLLOKOSA-N 1 0 329.444 2.641 50 0 EFAARO OCC[C@@H]1CN(Cc2c(F)ccc(F)c2F)CC[N@@H+]1C1CCCC1 ZINC000019219933 285264463 /nfs/dbraw/zinc/26/44/63/285264463.db2.gz VYNIXHYYOWOCKZ-CQSZACIVSA-N 1 0 342.405 2.915 50 0 EFAARO OC[C@H]1CN(Cc2ccc3cc(F)ccc3n2)C[C@H]1C[NH+]1CCCC1 ZINC000091665379 285292659 /nfs/dbraw/zinc/29/26/59/285292659.db2.gz ISBMXZNDWMZBHR-IAGOWNOFSA-N 1 0 343.446 2.510 50 0 EFAARO CSC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OCC[NH3+])C1 ZINC000426746103 257956566 /nfs/dbraw/zinc/95/65/66/257956566.db2.gz NGPJCZHOXXCRSN-LBPRGKRZSA-N 1 0 342.892 2.893 50 0 EFAARO O=C(NCC[C@H](c1ccco1)c1ccc(F)cc1)NC1CC[NH2+]CC1 ZINC000426677857 257958397 /nfs/dbraw/zinc/95/83/97/257958397.db2.gz FBDQGRUWBDPSNK-KRWDZBQOSA-N 1 0 345.418 2.992 50 0 EFAARO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(C(=O)NCc1ccc(Cl)cc1Cl)C2 ZINC000426615340 257961135 /nfs/dbraw/zinc/96/11/35/257961135.db2.gz ADTGPZJYCOUCIU-GNXNZQSNSA-N 1 0 328.243 2.872 50 0 EFAARO Cc1nc(CCCNC(=O)c2ccc(C)c(OCC[NH3+])c2)sc1C ZINC000426613537 257961260 /nfs/dbraw/zinc/96/12/60/257961260.db2.gz CWFNCSUNCWFMTR-UHFFFAOYSA-N 1 0 347.484 2.768 50 0 EFAARO Nc1cc[nH+]cc1-c1cccc(C(=O)NCC2(O)CCCCC2)c1 ZINC000426595082 257961798 /nfs/dbraw/zinc/96/17/98/257961798.db2.gz SPMUUZGGPKBQRF-UHFFFAOYSA-N 1 0 325.412 2.586 50 0 EFAARO COc1cccc2ccc(C[N@@H+]3CC[C@]4(OC)CC[C@@H](O)C[C@H]34)nc21 ZINC000299775019 258085281 /nfs/dbraw/zinc/08/52/81/258085281.db2.gz KDIINWFPJPPITN-IMFGXOCKSA-N 1 0 342.439 2.748 50 0 EFAARO CCc1ccc2occ(CC(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3OC)c2c1 ZINC000299775219 258085845 /nfs/dbraw/zinc/08/58/45/258085845.db2.gz HITPVTSWZMBCSY-HKUYNNGSSA-N 1 0 344.455 2.762 50 0 EFAARO CSCC[C@H]([NH3+])C(=O)N(C)Cc1cccc(-n2nc(C)cc2C)c1 ZINC000299775772 258086245 /nfs/dbraw/zinc/08/62/45/258086245.db2.gz KFSZNLLEDVMWCH-KRWDZBQOSA-N 1 0 346.500 2.528 50 0 EFAARO Cc1cc(N2CCCN([C@H](C)C(=O)Nc3ccccc3)CC2)cc[nH+]1 ZINC000299779154 258088828 /nfs/dbraw/zinc/08/88/28/258088828.db2.gz QRKTZVNSDOAFOI-QGZVFWFLSA-N 1 0 338.455 2.929 50 0 EFAARO Cc1cc(NC(=O)NC2CC[NH+](C3CCOCC3)CC2)n(C(C)C)n1 ZINC000299780465 258089699 /nfs/dbraw/zinc/08/96/99/258089699.db2.gz CPCBCAYTOXXDER-UHFFFAOYSA-N 1 0 349.479 2.537 50 0 EFAARO [NH3+]CCCOc1ccc(C(=O)N[C@H]2COC3(C2)CCCCC3)cc1 ZINC000299784873 258092232 /nfs/dbraw/zinc/09/22/32/258092232.db2.gz QLKLOGDZLVIYRC-MRXNPFEDSA-N 1 0 332.444 2.636 50 0 EFAARO CCn1cc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000299785054 258092556 /nfs/dbraw/zinc/09/25/56/258092556.db2.gz ZCFRELLYGCHOIY-KRWDZBQOSA-N 1 0 341.459 2.855 50 0 EFAARO Cc1ccccc1-c1cccc(NC(=O)NC[C@]2(O)CC[NH2+]C2)c1 ZINC000299785019 258092660 /nfs/dbraw/zinc/09/26/60/258092660.db2.gz PVOQGIBEISDMRE-IBGZPJMESA-N 1 0 325.412 2.508 50 0 EFAARO COCCN1C[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000299787685 258094241 /nfs/dbraw/zinc/09/42/41/258094241.db2.gz ZGJFTDACZCCZHH-AWEZNQCLSA-N 1 0 344.377 2.632 50 0 EFAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1csc(Cc2ccccc2)n1 ZINC000299788886 258094968 /nfs/dbraw/zinc/09/49/68/258094968.db2.gz VEXDCAQVZOYOOA-WBVHZDCISA-N 1 0 341.480 2.834 50 0 EFAARO C[C@@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1nncn1C1CCCC1 ZINC000299792249 258097530 /nfs/dbraw/zinc/09/75/30/258097530.db2.gz GQQFSNWPMOCRMS-OAHLLOKOSA-N 1 0 345.491 2.979 50 0 EFAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cccc(-c2ccsc2)c1 ZINC000299793381 258098785 /nfs/dbraw/zinc/09/87/85/258098785.db2.gz HLXBHXMFZVIOCJ-IRXDYDNUSA-N 1 0 330.453 2.864 50 0 EFAARO CC(C)c1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)no1 ZINC000299795558 258099666 /nfs/dbraw/zinc/09/96/66/258099666.db2.gz NEPSFDUGLGUELY-HNNXBMFYSA-N 1 0 349.475 2.647 50 0 EFAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc2c1CCC2 ZINC000299800658 258103385 /nfs/dbraw/zinc/10/33/85/258103385.db2.gz UTZWYQQBAPODDK-INIZCTEOSA-N 1 0 331.460 2.750 50 0 EFAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)N1CCc2n[nH]cc2C1 ZINC000299801009 258104031 /nfs/dbraw/zinc/10/40/31/258104031.db2.gz WWWZIRQKRZTKJA-UHFFFAOYSA-N 1 0 339.443 2.986 50 0 EFAARO C[NH+]1CCC(Oc2ccc(NC(=O)N[C@H]3CC[C@H](O)CC3)cc2)CC1 ZINC000299800960 258104325 /nfs/dbraw/zinc/10/43/25/258104325.db2.gz WLVAERKLUSNXCW-KOMQPUFPSA-N 1 0 347.459 2.585 50 0 EFAARO CC(C)NC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000299802427 258105638 /nfs/dbraw/zinc/10/56/38/258105638.db2.gz LUEOMUSOPFEYEI-DLBZAZTESA-N 1 0 344.459 2.525 50 0 EFAARO CC(C)NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071774817 258064037 /nfs/dbraw/zinc/06/40/37/258064037.db2.gz VFWRKDWLDITCIT-IBGZPJMESA-N 1 0 349.494 2.883 50 0 EFAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)c1cccc2c(Cl)cccc12 ZINC000215961038 258072187 /nfs/dbraw/zinc/07/21/87/258072187.db2.gz WIIRVZLGDHHUEK-CQSZACIVSA-N 1 0 346.858 2.927 50 0 EFAARO CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cc4ccccc4[nH]3)CC2)O1 ZINC000299755720 258074051 /nfs/dbraw/zinc/07/40/51/258074051.db2.gz CCBWLKNCHAWJTH-SFHVURJKSA-N 1 0 341.455 2.818 50 0 EFAARO Cc1cc(=O)[nH]c(C)c1C(=O)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000299760763 258077681 /nfs/dbraw/zinc/07/76/81/258077681.db2.gz RFQNKQKKUWPRNA-INIZCTEOSA-N 1 0 327.428 2.827 50 0 EFAARO CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CC[NH2+]CC2 ZINC000299762410 258079152 /nfs/dbraw/zinc/07/91/52/258079152.db2.gz VWSGNMUMRLEWPE-SJORKVTESA-N 1 0 342.464 2.869 50 0 EFAARO COc1ccccc1OCC[N@H+]1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 ZINC000299767174 258082037 /nfs/dbraw/zinc/08/20/37/258082037.db2.gz GWSQWANRLOAFRK-ZYSHUDEJSA-N 1 0 335.444 2.732 50 0 EFAARO O=S(=O)(c1ccsc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077421117 304781493 /nfs/dbraw/zinc/78/14/93/304781493.db2.gz OOSMHCBMYYRUTN-CQSZACIVSA-N 1 0 328.503 2.777 50 0 EFAARO CC(C)c1noc(-c2ccc(N3CC[NH+](CC4CC4)CC3)nc2)n1 ZINC000039356688 132397037 /nfs/dbraw/zinc/39/70/37/132397037.db2.gz AIPBFDNJQMPVGK-UHFFFAOYSA-N 1 0 327.432 2.787 50 0 EFAARO COc1ccc(-n2nnnc2C2([NH+]3CCCC3)CCCCC2)cc1 ZINC000022436235 286266207 /nfs/dbraw/zinc/26/62/07/286266207.db2.gz FPGJJGHXGGKFPH-UHFFFAOYSA-N 1 0 327.432 2.926 50 0 EFAARO COCC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000096000152 544558603 /nfs/dbraw/zinc/55/86/03/544558603.db2.gz OTDMAYVQQBKCLX-OAHLLOKOSA-N 1 0 334.464 2.754 50 0 EFAARO COc1ccc(OC)c(C[NH2+][C@@H]2CCCc3nc(N(C)C)ncc32)c1 ZINC000012713160 274115140 /nfs/dbraw/zinc/11/51/40/274115140.db2.gz SMQKPJCJNCXKCL-MRXNPFEDSA-N 1 0 342.443 2.727 50 0 EFAARO O=C1OCCN1C1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095519399 275026546 /nfs/dbraw/zinc/02/65/46/275026546.db2.gz XOUWXUYTUCITGV-HNNXBMFYSA-N 1 0 330.428 2.544 50 0 EFAARO CCC[N@@H+]1CCC=C([C@H]2c3nc[nH]c3CCN2C(=O)c2ccco2)C1 ZINC000067675862 276005127 /nfs/dbraw/zinc/00/51/27/276005127.db2.gz GMNYWDIEZMAXRV-SFHVURJKSA-N 1 0 340.427 2.784 50 0 EFAARO CC[N@H+](C)C1(CNC(=O)c2cc(C(F)(F)F)n[nH]2)CCCCC1 ZINC000097272459 276069022 /nfs/dbraw/zinc/06/90/22/276069022.db2.gz REVNKRYYFUKTLX-UHFFFAOYSA-N 1 0 332.370 2.813 50 0 EFAARO CN1CCC[C@@]2(CC[N@H+](Cc3c[nH]nc3C3CCCCC3)C2)C1=O ZINC000092028692 277072231 /nfs/dbraw/zinc/07/22/31/277072231.db2.gz ASIQNWSEMQAWKR-IBGZPJMESA-N 1 0 330.476 2.902 50 0 EFAARO COc1c(C)cnc(C[N@@H+]2CCCC[C@H]2CCN2CCOCC2)c1C ZINC000072428336 277362654 /nfs/dbraw/zinc/36/26/54/277362654.db2.gz DLEWWOLYQCWTGB-SFHVURJKSA-N 1 0 347.503 2.784 50 0 EFAARO CS[C@@H](C)CC[NH+]1CCC2(CCC(=O)N(CCCCO)C2)CC1 ZINC000091350532 278141507 /nfs/dbraw/zinc/14/15/07/278141507.db2.gz ZSOUZJRBGFJBQS-INIZCTEOSA-N 1 0 342.549 2.605 50 0 EFAARO CC(C)(C)c1cc(-c2nccn2[C@H]2COC[C@@H]2[NH+]2CCCCC2)n[nH]1 ZINC000077298406 278556763 /nfs/dbraw/zinc/55/67/63/278556763.db2.gz KCEXHLUOTTUAIG-HOTGVXAUSA-N 1 0 343.475 2.997 50 0 EFAARO Cc1nc2c(c(N3CCC[C@H](CC[NH3+])C3)n1)Cc1ccccc1OC2 ZINC000095501861 279111285 /nfs/dbraw/zinc/11/12/85/279111285.db2.gz ZVOLVTHTUAEAQI-OAHLLOKOSA-N 1 0 338.455 2.833 50 0 EFAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCCC1)C1CCOCC1 ZINC000020450987 279857890 /nfs/dbraw/zinc/85/78/90/279857890.db2.gz GISSZOYIZIRXLH-GOSISDBHSA-N 1 0 334.435 2.896 50 0 EFAARO Cc1n[nH]c(CCC(=O)NC[C@@H](c2ccccc2C)[NH+](C)C)c1C ZINC000097155620 280191491 /nfs/dbraw/zinc/19/14/91/280191491.db2.gz BGOREGAQHFERRR-SFHVURJKSA-N 1 0 328.460 2.687 50 0 EFAARO O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000013331772 280320651 /nfs/dbraw/zinc/32/06/51/280320651.db2.gz OQCLBHXCBJNDDG-AMBYYYRHSA-N 1 0 338.451 2.682 50 0 EFAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH2+]C[C@H]2CCCO2)CCCC1 ZINC000000571517 281130957 /nfs/dbraw/zinc/13/09/57/281130957.db2.gz PQWLICSTABIMFW-DLBZAZTESA-N 1 0 342.483 2.958 50 0 EFAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@@H](C)C[NH3+])CCO2 ZINC000067895076 281327248 /nfs/dbraw/zinc/32/72/48/281327248.db2.gz RBKIZWNPXMKZKK-AWEZNQCLSA-N 1 0 340.423 2.683 50 0 EFAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(CCC(C)(C)O)cc1)C2 ZINC000072421496 290317419 /nfs/dbraw/zinc/31/74/19/290317419.db2.gz FGBATIXWORBPSU-ZWKOTPCHSA-N 1 0 330.472 2.699 50 0 EFAARO Cc1c[nH+]ccc1NCCNC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000096180504 292984250 /nfs/dbraw/zinc/98/42/50/292984250.db2.gz YXORKXNSAIMVBP-UHFFFAOYSA-N 1 0 330.436 2.655 50 0 EFAARO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)C1 ZINC000333288325 311595198 /nfs/dbraw/zinc/59/51/98/311595198.db2.gz NYQOWKDRXNBBCN-TZMCWYRMSA-N 1 0 342.892 2.689 50 0 EFAARO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ncc3cc(Cl)ccn32)C1 ZINC000568777894 319318420 /nfs/dbraw/zinc/31/84/20/319318420.db2.gz KLCKUAOLOZNATJ-CQSZACIVSA-N 1 0 346.862 2.792 50 0 EFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCn1ccc2cc(OC)ccc21 ZINC000095477798 473212596 /nfs/dbraw/zinc/21/25/96/473212596.db2.gz XYOWUVSLWNQFOU-MRXNPFEDSA-N 1 0 329.444 2.641 50 0 EFAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cc[nH]c1C ZINC000095507335 473215667 /nfs/dbraw/zinc/21/56/67/473215667.db2.gz OVOCUADMNCMRPW-UHFFFAOYSA-N 1 0 346.519 2.591 50 0 EFAARO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCc2noc(-c3ccccc3)n2)C1 ZINC000095497609 473213352 /nfs/dbraw/zinc/21/33/52/473213352.db2.gz CZNQIMLPUWREEY-INIZCTEOSA-N 1 0 342.443 2.516 50 0 EFAARO Cc1nn(C)c2nc(NCC[N@H+](C)CCc3ccccc3)sc12 ZINC000095500122 473214207 /nfs/dbraw/zinc/21/42/07/473214207.db2.gz FRLZCJKIJXVFIE-UHFFFAOYSA-N 1 0 329.473 2.925 50 0 EFAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)[C@@H]2CCCCO2)CC1 ZINC000095500983 473214364 /nfs/dbraw/zinc/21/43/64/473214364.db2.gz WXVXGYXAQFTTAB-FQEVSTJZSA-N 1 0 344.499 2.969 50 0 EFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(c1cnc3ccccc3n1)CC2 ZINC000095502497 473215100 /nfs/dbraw/zinc/21/51/00/473215100.db2.gz RMPHMLJSZSVKOD-UHFFFAOYSA-N 1 0 348.454 2.727 50 0 EFAARO Cc1noc(-c2ccc(N(C)C[C@H]3Cc4ccccc4C[N@@H+]3C)nc2)n1 ZINC000095507543 473215332 /nfs/dbraw/zinc/21/53/32/473215332.db2.gz FXVOXYLAKXWNHI-GOSISDBHSA-N 1 0 349.438 2.933 50 0 EFAARO Cc1nn(C)c2nc(N3CC[NH+](CCc4ccccc4)CC3)sc12 ZINC000095505362 473215870 /nfs/dbraw/zinc/21/58/70/473215870.db2.gz XDOHHTFRCUABJR-UHFFFAOYSA-N 1 0 341.484 2.703 50 0 EFAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000095511634 473216456 /nfs/dbraw/zinc/21/64/56/473216456.db2.gz DKOGPAGOAAORBI-OAHLLOKOSA-N 1 0 339.443 2.970 50 0 EFAARO CC(C)Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)no1 ZINC000095528330 473220670 /nfs/dbraw/zinc/22/06/70/473220670.db2.gz SOKMTUUSIVJYMK-OAHLLOKOSA-N 1 0 345.443 2.995 50 0 EFAARO CCC[C@@H]1CN(C(=O)Nc2cc(OC)ccc2OC)C[C@H]1[NH+](C)C ZINC000095511505 473216588 /nfs/dbraw/zinc/21/65/88/473216588.db2.gz JNCKVZUIXITBJZ-CZUORRHYSA-N 1 0 335.448 2.898 50 0 EFAARO CCCCc1ncc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)[nH]1 ZINC000095511691 473217200 /nfs/dbraw/zinc/21/72/00/473217200.db2.gz QMODDNSJGQFSRV-YLJYHZDGSA-N 1 0 341.455 2.723 50 0 EFAARO CNC(=O)c1cc(C)ccc1OC1CC[NH+](Cc2ccncc2)CC1 ZINC000095513339 473218368 /nfs/dbraw/zinc/21/83/68/473218368.db2.gz YUCAGEDEFUVTBP-UHFFFAOYSA-N 1 0 339.439 2.793 50 0 EFAARO OC[C@@]12C[N@H+](CCOCc3ccccc3)C[C@@H]1c1ccccc1OC2 ZINC000095520085 473219398 /nfs/dbraw/zinc/21/93/98/473219398.db2.gz GZUCLQSNLMPERW-TZIWHRDSSA-N 1 0 339.435 2.674 50 0 EFAARO Cc1nc2cc(CNC(=O)[C@H]3CCC[N@@H+](C(C)C)C3)ccc2n1C ZINC000095523951 473219694 /nfs/dbraw/zinc/21/96/94/473219694.db2.gz OGWIHIISOWGMIB-INIZCTEOSA-N 1 0 328.460 2.618 50 0 EFAARO CC(C)Cc1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)no1 ZINC000095528331 473220980 /nfs/dbraw/zinc/22/09/80/473220980.db2.gz SOKMTUUSIVJYMK-HNNXBMFYSA-N 1 0 345.443 2.995 50 0 EFAARO C[N@@H+]1CCCN(C(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 ZINC000095527221 473221444 /nfs/dbraw/zinc/22/14/44/473221444.db2.gz DMHMEDVLSCHIJQ-UHFFFAOYSA-N 1 0 347.850 2.754 50 0 EFAARO Cc1cnc(CNC(=O)Nc2ccccc2C[NH+]2CCCC2)cn1 ZINC000095530320 473222040 /nfs/dbraw/zinc/22/20/40/473222040.db2.gz YJWOXRLQDCLDRH-UHFFFAOYSA-N 1 0 325.416 2.703 50 0 EFAARO COC(=O)NCCO[C@@H](c1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000095938174 473224952 /nfs/dbraw/zinc/22/49/52/473224952.db2.gz FTAXAWKWMGGMKS-HIFRSBDPSA-N 1 0 326.824 2.753 50 0 EFAARO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(Cl)c2c1CCCC2=O ZINC000096028009 473257428 /nfs/dbraw/zinc/25/74/28/473257428.db2.gz MQNLHUKWWDPPEJ-NSHDSACASA-N 1 0 325.836 2.987 50 0 EFAARO CSc1cccc(N2CC[NH+](CCCCCOC(N)=O)CC2)c1 ZINC000096026772 473257486 /nfs/dbraw/zinc/25/74/86/473257486.db2.gz OAOICDGPTDOBRN-UHFFFAOYSA-N 1 0 337.489 2.796 50 0 EFAARO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c(F)c1 ZINC000082098195 473287931 /nfs/dbraw/zinc/28/79/31/473287931.db2.gz HVNIDWUXHHQUHF-HXUWFJFHSA-N 1 0 348.462 2.721 50 0 EFAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)C1CCC1 ZINC000082106597 473288480 /nfs/dbraw/zinc/28/84/80/473288480.db2.gz IMCGYTVDVFRATE-UHFFFAOYSA-N 1 0 330.476 2.838 50 0 EFAARO CC1(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000082099475 473289143 /nfs/dbraw/zinc/28/91/43/473289143.db2.gz GOYWYIHMIYUJTK-SFHVURJKSA-N 1 0 342.483 2.817 50 0 EFAARO O=C(C[NH+]1CCCCCC1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000082115264 473290344 /nfs/dbraw/zinc/29/03/44/473290344.db2.gz NDACFFQEAHCFJW-UHFFFAOYSA-N 1 0 333.451 2.740 50 0 EFAARO O=C(N1Cc2ccccc2[C@H](O)C1)C1([NH+]2CCCC2)CCCCC1 ZINC000082114603 473290501 /nfs/dbraw/zinc/29/05/01/473290501.db2.gz JHZDXWHALFTYNU-GOSISDBHSA-N 1 0 328.456 2.861 50 0 EFAARO Cc1nc(C)c(CC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)s1 ZINC000082121487 473292870 /nfs/dbraw/zinc/29/28/70/473292870.db2.gz AMMVIHQFDFXGNG-UHFFFAOYSA-N 1 0 344.484 2.745 50 0 EFAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000082134453 473293871 /nfs/dbraw/zinc/29/38/71/473293871.db2.gz NJKRMGCUMYBMTN-IBGZPJMESA-N 1 0 342.414 2.766 50 0 EFAARO CCC[N@@H+]1CCCn2nc(CNC(=O)Nc3ccccc3F)cc2C1 ZINC000082137568 473294125 /nfs/dbraw/zinc/29/41/25/473294125.db2.gz NKNXHRFUZAMDCM-UHFFFAOYSA-N 1 0 345.422 2.960 50 0 EFAARO CCn1c(C)cc(C)c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1=O ZINC000082170840 473296878 /nfs/dbraw/zinc/29/68/78/473296878.db2.gz VLCYKDAMRQMIDY-UHFFFAOYSA-N 1 0 345.487 2.576 50 0 EFAARO CCCCC(=O)N1CCCC[C@H]([NH2+]C2CSCCSC2)C1 ZINC000082160927 473297056 /nfs/dbraw/zinc/29/70/56/473297056.db2.gz KKDNZWVGGZLZHG-AWEZNQCLSA-N 1 0 330.563 2.996 50 0 EFAARO [NH3+][C@@H]1CCN(Cc2ccccc2OCc2ccc(Cl)cc2)C[C@H]1O ZINC000082170539 473297721 /nfs/dbraw/zinc/29/77/21/473297721.db2.gz WBJBHMJUFGFOIT-QZTJIDSGSA-N 1 0 346.858 2.813 50 0 EFAARO O=C(NCc1cc2n(n1)CCC[N@H+](CC1CCCC1)C2)C1CCC1 ZINC000082167343 473297753 /nfs/dbraw/zinc/29/77/53/473297753.db2.gz GJYOVUGIWSZUQJ-UHFFFAOYSA-N 1 0 330.476 2.695 50 0 EFAARO COCC1(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)CCC1 ZINC000082161567 473297883 /nfs/dbraw/zinc/29/78/83/473297883.db2.gz DKPISCJWBNGPED-UHFFFAOYSA-N 1 0 342.483 2.505 50 0 EFAARO Cc1cc(C)n(Cc2cccc(C(=O)N3CCCC[C@H]([NH3+])C3)c2)n1 ZINC000082166634 473298271 /nfs/dbraw/zinc/29/82/71/473298271.db2.gz VVKMNSXAVWJSJZ-SFHVURJKSA-N 1 0 326.444 2.502 50 0 EFAARO C[C@@H](C1CCN(c2cc(C(=O)N3CCCCC3)ccn2)CC1)[NH+](C)C ZINC000096131605 473310286 /nfs/dbraw/zinc/31/02/86/473310286.db2.gz VVJGDZGSSTVHRP-INIZCTEOSA-N 1 0 344.503 2.874 50 0 EFAARO C[N@@H+]1CCC[C@H](CCc2nc(-c3ccc(Cl)cc3)nn2CCO)C1 ZINC000096139906 473312322 /nfs/dbraw/zinc/31/23/22/473312322.db2.gz IHZGRQTUGVCIGM-CQSZACIVSA-N 1 0 348.878 2.865 50 0 EFAARO COCc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)o1 ZINC000096141028 473312359 /nfs/dbraw/zinc/31/23/59/473312359.db2.gz SUTPZEVAXGGMDB-MRXNPFEDSA-N 1 0 342.439 2.954 50 0 EFAARO Cc1nn(C)c2nc(N[C@@H]3CCC[N@H+](Cc4cccnc4)C3)sc12 ZINC000096142212 473312458 /nfs/dbraw/zinc/31/24/58/473312458.db2.gz GKZIJJMBNYEGAS-CQSZACIVSA-N 1 0 342.472 2.810 50 0 EFAARO COCc1ccc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)o1 ZINC000096141029 473312513 /nfs/dbraw/zinc/31/25/13/473312513.db2.gz SUTPZEVAXGGMDB-INIZCTEOSA-N 1 0 342.439 2.954 50 0 EFAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)Cc2cscn2)C1 ZINC000096141214 473312540 /nfs/dbraw/zinc/31/25/40/473312540.db2.gz AGPYFDIYFHXPHH-OAHLLOKOSA-N 1 0 329.469 2.632 50 0 EFAARO Fc1ccc(-n2nc(-c3ccccc3)nc2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000096139690 473312775 /nfs/dbraw/zinc/31/27/75/473312775.db2.gz HMESMIPUFIAJOK-QGZVFWFLSA-N 1 0 338.386 2.604 50 0 EFAARO Cc1nc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)cs1 ZINC000096150482 473314534 /nfs/dbraw/zinc/31/45/34/473314534.db2.gz RPLOGVQSXOWENG-HNNXBMFYSA-N 1 0 329.469 2.979 50 0 EFAARO O=C(NCCC[N@H+]1CCCC[C@H]1CO)Nc1ccc(F)cc1Cl ZINC000096160516 473319847 /nfs/dbraw/zinc/31/98/47/473319847.db2.gz HKBIVNKBFZIRGW-ZDUSSCGKSA-N 1 0 343.830 2.838 50 0 EFAARO C[NH+]1CCC(Cc2noc(Cn3ccnc3-c3ccccc3)n2)CC1 ZINC000096161928 473320565 /nfs/dbraw/zinc/32/05/65/473320565.db2.gz ZAOYMCJPLSIVAZ-UHFFFAOYSA-N 1 0 337.427 2.866 50 0 EFAARO COc1ccc(C)c(NC(=O)N2CC[N@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000096166372 473321383 /nfs/dbraw/zinc/32/13/83/473321383.db2.gz OCAQEBFIDCRUSZ-MRXNPFEDSA-N 1 0 349.475 2.560 50 0 EFAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000000084271 471320871 /nfs/dbraw/zinc/32/08/71/471320871.db2.gz GXCHUCZYPHVVSK-IBGZPJMESA-N 1 0 347.418 2.941 50 0 biogenic EFAARO CC1(C)CC(NC(=O)c2cncc(Br)c2)CC(C)(C)[NH2+]1 ZINC000000092326 471321425 /nfs/dbraw/zinc/32/14/25/471321425.db2.gz DWPVBVARLIXRSW-UHFFFAOYSA-N 1 0 340.265 2.883 50 0 EFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(C)ccc2C)C1 ZINC000000176321 471331685 /nfs/dbraw/zinc/33/16/85/471331685.db2.gz NIGJPTCHWRQBHJ-MRXNPFEDSA-N 1 0 332.444 2.907 50 0 EFAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000000207310 471334245 /nfs/dbraw/zinc/33/42/45/471334245.db2.gz ABYZJNSBCBPJEZ-MRXNPFEDSA-N 1 0 334.460 2.784 50 0 EFAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c(OC)c1 ZINC000000212293 471336179 /nfs/dbraw/zinc/33/61/79/471336179.db2.gz FFOXUMWZCBRROC-KRWDZBQOSA-N 1 0 346.471 2.928 50 0 EFAARO COc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000000350356 471349411 /nfs/dbraw/zinc/34/94/11/471349411.db2.gz CHHJMBZCFHFPBH-UHFFFAOYSA-N 1 0 332.444 2.794 50 0 EFAARO O=C(CC[N@@H+]1CCCC[C@H]1c1cccnc1)NCN1CCCCC1 ZINC000000486098 471365064 /nfs/dbraw/zinc/36/50/64/471365064.db2.gz QWRXNRWLIDVDJT-SFHVURJKSA-N 1 0 330.476 2.558 50 0 biogenic EFAARO COc1ccc(O[C@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000514408 471367479 /nfs/dbraw/zinc/36/74/79/471367479.db2.gz OCRVLPYZFFFFTH-CYBMUJFWSA-N 1 0 334.460 2.888 50 0 EFAARO Cc1ccc(NC(=O)[C@H]2C=C(O)NC(Nc3cccc(C)c3)=[NH+]2)cc1 ZINC000000528865 471368365 /nfs/dbraw/zinc/36/83/65/471368365.db2.gz RWZFDFGDZXPTLO-MRXNPFEDSA-N 1 0 336.395 2.599 50 0 EFAARO Cc1cc(N2CC[NH+](C)CC2)n2cc(-c3ccc(F)cc3)nc2n1 ZINC000001395114 471388212 /nfs/dbraw/zinc/38/82/12/471388212.db2.gz WLOKPZHYRJKOHX-UHFFFAOYSA-N 1 0 325.391 2.596 50 0 EFAARO COc1cc(N)c(Cl)cc1C(=O)OCCC[NH+]1CCCCC1 ZINC000001534779 471392218 /nfs/dbraw/zinc/39/22/18/471392218.db2.gz RLSGBCUXLRMTPF-UHFFFAOYSA-N 1 0 326.824 2.964 50 0 investigational EFAARO CN(C)CC[C@H]1c2ccccc2[C@H](O)c2ccccc2S1(=O)=O ZINC000002015000 471400080 /nfs/dbraw/zinc/40/00/80/471400080.db2.gz DKQATDQETUTSSG-ROUUACIJSA-N 1 0 331.437 2.548 50 0 EFAARO CN(C)CC[C@H]1c2ccccc2[C@@H](O)c2ccccc2S1(=O)=O ZINC000002014998 471400622 /nfs/dbraw/zinc/40/06/22/471400622.db2.gz DKQATDQETUTSSG-ZWKOTPCHSA-N 1 0 331.437 2.548 50 0 EFAARO Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000002734629 471419323 /nfs/dbraw/zinc/41/93/23/471419323.db2.gz TUXWDUQDYJRALJ-UHFFFAOYSA-N 1 0 336.501 2.880 50 0 EFAARO CCOc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000002791802 471421293 /nfs/dbraw/zinc/42/12/93/471421293.db2.gz RVIPJAUWBFRLFG-ZDUSSCGKSA-N 1 0 340.370 2.607 50 0 EFAARO O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)N1CC[NH2+]CC1 ZINC000002848292 471425107 /nfs/dbraw/zinc/42/51/07/471425107.db2.gz LQFHSRORASPQJN-MRXNPFEDSA-N 1 0 344.842 2.999 50 0 EFAARO COc1cc(OC)c(OC)cc1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000002902823 471427257 /nfs/dbraw/zinc/42/72/57/471427257.db2.gz CXCJPGYVDGUWQK-UHFFFAOYSA-N 1 0 345.395 2.773 50 0 EFAARO COc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc2c1OCO2 ZINC000002903435 471427811 /nfs/dbraw/zinc/42/78/11/471427811.db2.gz UCJPQDDAGSVRFZ-UHFFFAOYSA-N 1 0 345.395 2.773 50 0 EFAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cn2)CC1 ZINC000004050823 471458535 /nfs/dbraw/zinc/45/85/35/471458535.db2.gz NJQCEQRGDRYPPX-UHFFFAOYSA-N 1 0 330.819 2.739 50 0 EFAARO CC(C)C[NH+]1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000004561228 471469299 /nfs/dbraw/zinc/46/92/99/471469299.db2.gz VKAAWPUTJURXJP-UHFFFAOYSA-N 1 0 329.488 2.703 50 0 EFAARO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000005253728 471495314 /nfs/dbraw/zinc/49/53/14/471495314.db2.gz XFBBRDRLWNQMNT-ZDUSSCGKSA-N 1 0 343.427 2.933 50 0 EFAARO CC[NH+](CC)CCN1C(=O)C[C@@H]2Sc3ccc(OC)cc3N=C21 ZINC000005952388 471527206 /nfs/dbraw/zinc/52/72/06/471527206.db2.gz YMANHNIKRNPNQW-HNNXBMFYSA-N 1 0 333.457 2.774 50 0 EFAARO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000006455706 471545638 /nfs/dbraw/zinc/54/56/38/471545638.db2.gz OXWXXMDTFPNWGG-KDOFPFPSSA-N 1 0 328.412 2.736 50 0 EFAARO COc1cc2c(cc1OC)[C@@H](C)N(C(=O)C[NH+]1CCCCC1)CC2 ZINC000006471049 471546995 /nfs/dbraw/zinc/54/69/95/471546995.db2.gz JVMCMUQRNSXOOK-CQSZACIVSA-N 1 0 332.444 2.635 50 0 EFAARO Fc1ccccc1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000006661651 471557257 /nfs/dbraw/zinc/55/72/57/471557257.db2.gz HWBSPXPOHAMUHO-UHFFFAOYSA-N 1 0 329.404 2.683 50 0 EFAARO Cc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000006719998 471563519 /nfs/dbraw/zinc/56/35/19/471563519.db2.gz UJDBARFWSBXZTM-UHFFFAOYSA-N 1 0 325.441 2.853 50 0 EFAARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(-c4ccccn4)nc3c12 ZINC000006757771 471566814 /nfs/dbraw/zinc/56/68/14/471566814.db2.gz LTCIACWILBVWTG-UHFFFAOYSA-N 1 0 349.442 2.710 50 0 EFAARO CC(C)c1ccc2oc(=O)cc(C[NH+]3CCC(C(N)=O)CC3)c2c1 ZINC000006760792 471567286 /nfs/dbraw/zinc/56/72/86/471567286.db2.gz COEMEKDUVOYFMY-UHFFFAOYSA-N 1 0 328.412 2.614 50 0 EFAARO Cc1noc(C)c1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008395547 471686928 /nfs/dbraw/zinc/68/69/28/471686928.db2.gz SPGDFJTYCIYGDP-UHFFFAOYSA-N 1 0 327.428 2.615 50 0 EFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1n[nH]c2c1CCCC2 ZINC000008744204 471704062 /nfs/dbraw/zinc/70/40/62/471704062.db2.gz UBEBKEVRRBJCPY-UHFFFAOYSA-N 1 0 338.455 2.683 50 0 EFAARO CCC[NH+]1CCC2(C[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000012456387 471776359 /nfs/dbraw/zinc/77/63/59/471776359.db2.gz VQHOOZJRDZYEHG-LJQANCHMSA-N 1 0 341.499 2.847 50 0 EFAARO CC1CC[NH+](C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000012570726 471782749 /nfs/dbraw/zinc/78/27/49/471782749.db2.gz JSBUZUYSLXVBMY-NRFANRHFSA-N 1 0 344.499 2.705 50 0 EFAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)c1coc(COc2ccccc2)n1 ZINC000012595746 471785385 /nfs/dbraw/zinc/78/53/85/471785385.db2.gz HWHNOUXNKOICIC-HNNXBMFYSA-N 1 0 343.427 2.810 50 0 EFAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)CC1 ZINC000012705066 471790763 /nfs/dbraw/zinc/79/07/63/471790763.db2.gz UAIKJJVJIHFDTH-GOSISDBHSA-N 1 0 333.520 2.799 50 0 EFAARO Cc1ccc(C(=O)N2CCC[C@@H](N(C)CCC[NH+](C)C)C2)cc1C ZINC000012702067 471790815 /nfs/dbraw/zinc/79/08/15/471790815.db2.gz IKYJZKGZHFYMTM-LJQANCHMSA-N 1 0 331.504 2.792 50 0 EFAARO CCc1cc(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)on1 ZINC000012715279 471791641 /nfs/dbraw/zinc/79/16/41/471791641.db2.gz CYOLIFBSENDFRB-KRWDZBQOSA-N 1 0 327.428 2.674 50 0 EFAARO Cc1ccc(F)cc1C[NH2+]C[C@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000012752603 471793379 /nfs/dbraw/zinc/79/33/79/471793379.db2.gz YSXDKGGNYKSJJB-LJQANCHMSA-N 1 0 336.451 2.623 50 0 EFAARO O=C(CCc1cnccn1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012757360 471793914 /nfs/dbraw/zinc/79/39/14/471793914.db2.gz SUCWAFKEXYJEMC-KRWDZBQOSA-N 1 0 330.476 2.713 50 0 EFAARO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]C3CCCCC3)C2=O)c1 ZINC000012764121 471794383 /nfs/dbraw/zinc/79/43/83/471794383.db2.gz VCTYVMQGCRLZEB-HXUWFJFHSA-N 1 0 330.472 2.771 50 0 EFAARO C[NH+](C)[C@@H]1CCN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)C1 ZINC000012756050 471794617 /nfs/dbraw/zinc/79/46/17/471794617.db2.gz CBHRIZYBZUSACJ-QGZVFWFLSA-N 1 0 349.438 2.863 50 0 EFAARO CC[NH+](CC)CCSc1nnc2c3cc(OC)ccc3[nH]c2n1 ZINC000013628502 471835035 /nfs/dbraw/zinc/83/50/35/471835035.db2.gz UZABKLPNZITMLA-UHFFFAOYSA-N 1 0 331.445 2.949 50 0 EFAARO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(F)cc1 ZINC000013670437 471836928 /nfs/dbraw/zinc/83/69/28/471836928.db2.gz YEPBZVTUARYKSG-QGZVFWFLSA-N 1 0 342.480 2.900 50 0 EFAARO Cc1ccc(C(C)C)c(OCC(=O)N2CCOC23CC[NH+](C)CC3)c1 ZINC000013723276 471841332 /nfs/dbraw/zinc/84/13/32/471841332.db2.gz ZNZQTQFHAJIPDK-UHFFFAOYSA-N 1 0 346.471 2.778 50 0 EFAARO Cc1c2ccc(C)cc2oc1C(=O)N1CCOC12CC[NH+](C)CC2 ZINC000013735478 471842599 /nfs/dbraw/zinc/84/25/99/471842599.db2.gz ZIARFWPRWMKWRU-UHFFFAOYSA-N 1 0 328.412 2.944 50 0 EFAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C(C)C)CC2)C1=O ZINC000014532838 471873740 /nfs/dbraw/zinc/87/37/40/471873740.db2.gz LPCOBWIYRJVTMG-UHFFFAOYSA-N 1 0 343.471 2.756 50 0 EFAARO CC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014732150 471877644 /nfs/dbraw/zinc/87/76/44/471877644.db2.gz WJPSOENOTNSISB-HNNXBMFYSA-N 1 0 332.492 2.632 50 0 EFAARO COC(=O)[C@@H]1CC2(CCN(Cc3ccccc3)CC2)[N@@H+]2CCC[C@@H]12 ZINC000014944195 471883000 /nfs/dbraw/zinc/88/30/00/471883000.db2.gz VEWGPGAAIZSOKU-MSOLQXFVSA-N 1 0 328.456 2.679 50 0 EFAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH2+]C1CCCCCC1 ZINC000014981000 471883930 /nfs/dbraw/zinc/88/39/30/471883930.db2.gz GDACGSKOGXGKMS-FQEVSTJZSA-N 1 0 348.462 2.992 50 0 EFAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000015064135 471887841 /nfs/dbraw/zinc/88/78/41/471887841.db2.gz QABXXTNAPXVBCE-FQEVSTJZSA-N 1 0 341.455 2.808 50 0 EFAARO Cc1c(C[NH+]2CCC(CO)(CCc3ccccc3)CC2)cnn1C ZINC000015063404 471888123 /nfs/dbraw/zinc/88/81/23/471888123.db2.gz LHDMKVIQSYWXGL-UHFFFAOYSA-N 1 0 327.472 2.936 50 0 EFAARO COC[C@H](C)[NH+]1CCC(n2nccc2NC(=O)C2CCCC2)CC1 ZINC000015074912 471888614 /nfs/dbraw/zinc/88/86/14/471888614.db2.gz CLTLTNVHHLFLQF-AWEZNQCLSA-N 1 0 334.464 2.684 50 0 EFAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)/C(F)=C/c3ccccc3)C2)CC1 ZINC000015075477 471888851 /nfs/dbraw/zinc/88/88/51/471888851.db2.gz LVGYOBHBGKISPP-FJSNCCPHSA-N 1 0 345.462 2.672 50 0 EFAARO O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH2+]Cc1ccccc1Cl ZINC000015074463 471889202 /nfs/dbraw/zinc/88/92/02/471889202.db2.gz BOQOGOHHNLURFM-GOSISDBHSA-N 1 0 336.863 2.583 50 0 EFAARO CCN1CCC([NH2+][C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)CC1 ZINC000015077865 471889336 /nfs/dbraw/zinc/88/93/36/471889336.db2.gz DCSPKNSTSMPOQD-GOSISDBHSA-N 1 0 349.906 2.557 50 0 EFAARO O[C@@H](C[NH2+]Cc1ccco1)CO[C@@H](Cc1ccccc1)C(F)(F)F ZINC000016158870 471927310 /nfs/dbraw/zinc/92/73/10/471927310.db2.gz JUUBTHRUOSUPHW-HOCLYGCPSA-N 1 0 343.345 2.920 50 0 EFAARO O[C@@H](C[NH2+]Cc1ccco1)CO[C@H](Cc1ccccc1)C(F)(F)F ZINC000016158873 471927574 /nfs/dbraw/zinc/92/75/74/471927574.db2.gz JUUBTHRUOSUPHW-GOEBONIOSA-N 1 0 343.345 2.920 50 0 EFAARO c1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1 ZINC000016480054 471939659 /nfs/dbraw/zinc/93/96/59/471939659.db2.gz ICIBPCLZDWQECO-UHFFFAOYSA-N 1 0 325.441 2.934 50 0 EFAARO Cc1cc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)no1 ZINC000017067547 471954116 /nfs/dbraw/zinc/95/41/16/471954116.db2.gz VAMYPDHNFKKFRX-UHFFFAOYSA-N 1 0 329.444 2.710 50 0 EFAARO Nc1nc2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2s1 ZINC000019112974 471977683 /nfs/dbraw/zinc/97/76/83/471977683.db2.gz GZLAIHJPCFNYDZ-UHFFFAOYSA-N 1 0 344.484 2.969 50 0 EFAARO CCN(CC[NH+](C)C)c1ncnc2c1ncn2-c1ccc(Cl)cc1 ZINC000019928117 471985859 /nfs/dbraw/zinc/98/58/59/471985859.db2.gz NWLNLHNYPYJVRA-UHFFFAOYSA-N 1 0 344.850 2.857 50 0 EFAARO CC[NH+]1CCN(c2ncnc3c2ncn3-c2ccc(Cl)cc2)CC1 ZINC000019928127 471986157 /nfs/dbraw/zinc/98/61/57/471986157.db2.gz WNUWRQUKFUNACV-UHFFFAOYSA-N 1 0 342.834 2.611 50 0 EFAARO O[C@H](COc1ccccc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020294031 471988470 /nfs/dbraw/zinc/98/84/70/471988470.db2.gz YFIBQIOYSRTVMO-SFHVURJKSA-N 1 0 346.858 2.902 50 0 EFAARO CC[NH+]1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000020662198 471992220 /nfs/dbraw/zinc/99/22/20/471992220.db2.gz VTKUJYLIOUXTHH-UHFFFAOYSA-N 1 0 342.834 2.611 50 0 EFAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)CC4OCCO4)[C@H]3C=C12 ZINC000020609763 471992237 /nfs/dbraw/zinc/99/22/37/471992237.db2.gz QITIRYHLULOZRG-LNQWNYPOSA-N 1 0 349.471 2.605 50 0 biogenic EFAARO CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000035090990 471993662 /nfs/dbraw/zinc/99/36/62/471993662.db2.gz VKABGYBRCWCOAS-FUHWJXTLSA-N 1 0 329.444 2.639 50 0 biogenic EFAARO Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000035107840 471994015 /nfs/dbraw/zinc/99/40/15/471994015.db2.gz WETNHZVOLPIATI-MAUKXSAKSA-N 1 0 339.487 2.699 50 0 biogenic EFAARO C[NH+]1CCN(c2nc3c(-c4ccccc4)nnn3c3ccccc32)CC1 ZINC000067263311 472011512 /nfs/dbraw/zinc/01/15/12/472011512.db2.gz RAVGJMSCUHXNJN-UHFFFAOYSA-N 1 0 344.422 2.696 50 0 EFAARO Cc1ccc(-c2cc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)[nH]n2)cc1 ZINC000022309476 472012973 /nfs/dbraw/zinc/01/29/73/472012973.db2.gz MVLLCUAHYJDCNE-UHFFFAOYSA-N 1 0 347.422 2.743 50 0 EFAARO CCOC(=O)/C(=C/C=C/[NH+](CC)CC)S(=O)(=O)c1ccccc1 ZINC000038458952 472018532 /nfs/dbraw/zinc/01/85/32/472018532.db2.gz WWFPHONPCQANDG-RGAGSJCWSA-N 1 0 337.441 2.763 50 0 EFAARO CCn1c(C)cc(O)c([C@@H](c2ccccn2)[NH+]2CCCCC2)c1=O ZINC000022697382 472019246 /nfs/dbraw/zinc/01/92/46/472019246.db2.gz VQTBALCZRQUEAI-GOSISDBHSA-N 1 0 327.428 2.853 50 0 EFAARO COc1cccc(OC)c1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000023105490 472025825 /nfs/dbraw/zinc/02/58/25/472025825.db2.gz WJRWLJJJINOHOZ-LBPRGKRZSA-N 1 0 334.441 2.798 50 0 EFAARO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(F)cc3)cc2)CC1 ZINC000023133892 472027629 /nfs/dbraw/zinc/02/76/29/472027629.db2.gz KFWLUZBNMCBBKX-UHFFFAOYSA-N 1 0 343.402 2.595 50 0 EFAARO Fc1ccc(N2CCN([C@H]3CCC[N@@H+](C4CCOCC4)C3)CC2)cc1 ZINC000023374373 472031395 /nfs/dbraw/zinc/03/13/95/472031395.db2.gz UQHRVFCISPEFIT-FQEVSTJZSA-N 1 0 347.478 2.591 50 0 EFAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCCCC3)nc2)C1 ZINC000067587168 472053465 /nfs/dbraw/zinc/05/34/65/472053465.db2.gz KZZAIWWBZCFGAZ-QGZVFWFLSA-N 1 0 344.503 2.780 50 0 EFAARO Cc1cc(C)n(-c2cccc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)c2)n1 ZINC000067847697 472097414 /nfs/dbraw/zinc/09/74/14/472097414.db2.gz LYEBQLRGUNWWRE-HXUWFJFHSA-N 1 0 338.455 2.705 50 0 EFAARO Ic1ccc(COC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042782967 472170201 /nfs/dbraw/zinc/17/02/01/472170201.db2.gz HWZDPNVRWARLSN-GFCCVEGCSA-N 1 0 331.197 2.807 50 0 EFAARO CCC[N@@H+]1CC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000027520809 472179298 /nfs/dbraw/zinc/17/92/98/472179298.db2.gz KBYRJQLFUMUNLE-IBGZPJMESA-N 1 0 339.435 2.950 50 0 EFAARO CC(C)c1cc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)[nH]n1 ZINC000042995739 472187590 /nfs/dbraw/zinc/18/75/90/472187590.db2.gz FGANKNDRFDJEHC-GOSISDBHSA-N 1 0 334.508 2.734 50 0 EFAARO CC[NH+]1CCN(C2(CNC(=O)c3cccs3)CCCCC2)CC1 ZINC000028403225 472224240 /nfs/dbraw/zinc/22/42/40/472224240.db2.gz CLQRVUASLQFVGE-UHFFFAOYSA-N 1 0 335.517 2.818 50 0 EFAARO O=C(Cc1ccc2c(c1)OCC2)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000085880006 472269567 /nfs/dbraw/zinc/26/95/67/472269567.db2.gz YTQCPXRATSNDFS-ZWKOTPCHSA-N 1 0 328.456 2.545 50 0 biogenic EFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000044571156 472318091 /nfs/dbraw/zinc/31/80/91/472318091.db2.gz AZOMOOWMZYDWME-INIZCTEOSA-N 1 0 329.469 2.953 50 0 EFAARO C[NH+](C)Cc1ccc(C(=O)Nc2ccn(Cc3ccncc3)n2)cc1 ZINC000069589215 472376556 /nfs/dbraw/zinc/37/65/56/472376556.db2.gz WYJLSHRAFQPHTK-UHFFFAOYSA-N 1 0 335.411 2.640 50 0 EFAARO O=C(Nc1ccc(CCc2ccccn2)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000097136906 472458313 /nfs/dbraw/zinc/45/83/13/472458313.db2.gz OLULWIFQXXITHH-CALCHBBNSA-N 1 0 336.439 2.550 50 0 EFAARO C[NH+](C)CCN(Cc1ccco1)C(=O)c1oc2ccccc2c1N ZINC000045796087 472465933 /nfs/dbraw/zinc/46/59/33/472465933.db2.gz STFYGVHARQZZSN-UHFFFAOYSA-N 1 0 327.384 2.812 50 0 EFAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000097199487 472474664 /nfs/dbraw/zinc/47/46/64/472474664.db2.gz KBNLCLRHWRZDKW-AWEZNQCLSA-N 1 0 340.431 2.798 50 0 EFAARO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1c(Cl)nc3ccccn31)CC2 ZINC000097199482 472475434 /nfs/dbraw/zinc/47/54/34/472475434.db2.gz SOQJTDISSNSXNY-GFCCVEGCSA-N 1 0 344.850 2.807 50 0 EFAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1ccccc1OCc1ccccn1)CC2 ZINC000097199465 472475681 /nfs/dbraw/zinc/47/56/81/472475681.db2.gz KLSMJAFPDDUHTL-KRWDZBQOSA-N 1 0 349.438 2.665 50 0 EFAARO Cc1cn2nc(N3CC[C@H](CNc4cc(C)cc[nH+]4)C3)sc2n1 ZINC000097200984 472476681 /nfs/dbraw/zinc/47/66/81/472476681.db2.gz ORUWHEARQYYWOS-CYBMUJFWSA-N 1 0 328.445 2.741 50 0 EFAARO Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)NC3CCCC3)C2)n1 ZINC000097200551 472478836 /nfs/dbraw/zinc/47/88/36/472478836.db2.gz HQWKBSZMRIXGFR-INIZCTEOSA-N 1 0 330.476 2.573 50 0 EFAARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000077285738 472494724 /nfs/dbraw/zinc/49/47/24/472494724.db2.gz MRPSDZXSHADAFK-UHFFFAOYSA-N 1 0 327.476 2.739 50 0 EFAARO O=C(C[NH+]1CCCCCC1)N1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000077299994 472496696 /nfs/dbraw/zinc/49/66/96/472496696.db2.gz JNDYPWGBNBVJMZ-HXUWFJFHSA-N 1 0 344.499 2.705 50 0 EFAARO O=C(NCCc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCCC2)o1 ZINC000097532850 472500281 /nfs/dbraw/zinc/50/02/81/472500281.db2.gz NFYBJPOZXSOIGU-UHFFFAOYSA-N 1 0 342.395 2.577 50 0 EFAARO COc1ccc(/C=C/CN2CC[C@@](O)(C[NH+]3CCCCC3)C2)cc1 ZINC000077321887 472503884 /nfs/dbraw/zinc/50/38/84/472503884.db2.gz VMILAHHDVGRYFC-RRFGBZISSA-N 1 0 330.472 2.631 50 0 EFAARO Cc1cc(C)c(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)cc1C ZINC000077337376 472506658 /nfs/dbraw/zinc/50/66/58/472506658.db2.gz NKTWIZDRANMPAN-FQEVSTJZSA-N 1 0 330.472 2.675 50 0 EFAARO COc1ccccc1-n1cc(C[N@H+](C)[C@@H](C)Cc2cnccn2)cn1 ZINC000097815321 472507610 /nfs/dbraw/zinc/50/76/10/472507610.db2.gz XUXMLVCICPENEC-HNNXBMFYSA-N 1 0 337.427 2.734 50 0 EFAARO O=C1C[C@@]2(CC[N@H+](Cc3cccc(Oc4ccccc4)c3)C2)C(=O)N1 ZINC000077357358 472511847 /nfs/dbraw/zinc/51/18/47/472511847.db2.gz JGCMYMVHJXYJLR-HXUWFJFHSA-N 1 0 336.391 2.718 50 0 EFAARO CC(C)n1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)cn1 ZINC000077375507 472515491 /nfs/dbraw/zinc/51/54/91/472515491.db2.gz FLYQLHYXFAUEQS-SFHVURJKSA-N 1 0 326.444 2.593 50 0 EFAARO O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077379929 472517340 /nfs/dbraw/zinc/51/73/40/472517340.db2.gz KURCLBQIPPEYDA-QGZVFWFLSA-N 1 0 340.826 2.542 50 0 EFAARO COc1ccc2[nH]nc(C(=O)N(C)C[C@@H]3CCC[N@@H+](C(C)C)C3)c2c1 ZINC000077407416 472522644 /nfs/dbraw/zinc/52/26/44/472522644.db2.gz UBDBSAFTUJCCDM-AWEZNQCLSA-N 1 0 344.459 2.764 50 0 EFAARO CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CC[N@@H+]1C(C)C ZINC000077408333 472522780 /nfs/dbraw/zinc/52/27/80/472522780.db2.gz PMHIUVWLVKXZLE-QGZVFWFLSA-N 1 0 326.444 2.817 50 0 EFAARO O=C([C@H]1CC12CC[NH2+]CC2)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000077423146 472525635 /nfs/dbraw/zinc/52/56/35/472525635.db2.gz ZFPRTPCZAKVWGR-QGZVFWFLSA-N 1 0 332.419 2.585 50 0 EFAARO O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2cccc3ncccc23)C1 ZINC000077437250 472526365 /nfs/dbraw/zinc/52/63/65/472526365.db2.gz FFYFQPXZHLHJKQ-HXUWFJFHSA-N 1 0 325.456 2.658 50 0 EFAARO Cc1nc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)cs1 ZINC000077436372 472526565 /nfs/dbraw/zinc/52/65/65/472526565.db2.gz KWXDVNXPEIWPEN-UHFFFAOYSA-N 1 0 341.480 2.767 50 0 EFAARO CN(C)c1cccc(C(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)c1 ZINC000077438480 472527095 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CC[N@@H+](Cc1ccc(C(=O)Nc2nncs2)cc1)C[C@H]1CCCO1 ZINC000065396098 472932120 /nfs/dbraw/zinc/93/21/20/472932120.db2.gz NNQBOEVIQBWVFO-OAHLLOKOSA-N 1 0 346.456 2.791 50 0 EFAARO CCc1ccccc1OCC[NH+]1CCC(Oc2ncccn2)CC1 ZINC000065394660 472932162 /nfs/dbraw/zinc/93/21/62/472932162.db2.gz CGIHKWSBSMEISP-UHFFFAOYSA-N 1 0 327.428 2.961 50 0 EFAARO COc1cccc([C@@H]2CC[N@H+](Cc3cnn(C)c3C3CC3)C[C@H]2O)c1 ZINC000065396823 472932260 /nfs/dbraw/zinc/93/22/60/472932260.db2.gz GEZHGXGXNNKIDS-RBUKOAKNSA-N 1 0 341.455 2.657 50 0 EFAARO Cc1cc(N(C)CC2CC[NH+](CCO)CC2)nc(-c2ccccc2)n1 ZINC000065398503 472933638 /nfs/dbraw/zinc/93/36/38/472933638.db2.gz ZONMFGVTFVABBR-UHFFFAOYSA-N 1 0 340.471 2.593 50 0 EFAARO CC(=O)N1CCC([N@H+](C)Cc2cccc(-n3nc(C)cc3C)c2)CC1 ZINC000065397787 472933706 /nfs/dbraw/zinc/93/37/06/472933706.db2.gz IRIXQQTXRUDWBC-UHFFFAOYSA-N 1 0 340.471 2.932 50 0 EFAARO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(OC)c1)c1ccnn1C ZINC000065403451 472934855 /nfs/dbraw/zinc/93/48/55/472934855.db2.gz NBTYJJVLTBGCCG-CYBMUJFWSA-N 1 0 336.823 2.762 50 0 EFAARO CC(=O)N1CCCC[C@@H]1C1=CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000065405780 472935596 /nfs/dbraw/zinc/93/55/96/472935596.db2.gz FUGWZLUZTULXME-QGZVFWFLSA-N 1 0 336.867 2.570 50 0 EFAARO COc1ccc(C(=O)CCC(=O)N2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC000065406063 472935697 /nfs/dbraw/zinc/93/56/97/472935697.db2.gz XWZCDOKHZHAGNY-UHFFFAOYSA-N 1 0 344.455 2.602 50 0 EFAARO Nc1ncc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 ZINC000065454796 472945361 /nfs/dbraw/zinc/94/53/61/472945361.db2.gz IUFITAKXRUNFSE-RBUKOAKNSA-N 1 0 334.423 2.562 50 0 EFAARO C[C@H](NC(=O)CC[NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000065456288 472945652 /nfs/dbraw/zinc/94/56/52/472945652.db2.gz CKPGIDLKBTXPIF-AWEZNQCLSA-N 1 0 326.396 2.772 50 0 EFAARO CCCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@H]2C1CC[NH2+]CC1 ZINC000065455790 472945774 /nfs/dbraw/zinc/94/57/74/472945774.db2.gz SKOVTHMDMZBIRP-ZDUSSCGKSA-N 1 0 345.443 2.859 50 0 EFAARO CCc1cnc(C)nc1N1CCN(C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000065453781 472945928 /nfs/dbraw/zinc/94/59/28/472945928.db2.gz GMNGVIVKMRXXQX-UHFFFAOYSA-N 1 0 345.535 2.779 50 0 EFAARO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000065462204 472947149 /nfs/dbraw/zinc/94/71/49/472947149.db2.gz WPJKMRMDIAWNDN-CYBMUJFWSA-N 1 0 346.475 2.649 50 0 EFAARO Cc1nc(-c2ccc(CNC(=O)CC[C@@H]3CCC[N@@H+](C)C3)cc2)no1 ZINC000065461178 472947713 /nfs/dbraw/zinc/94/77/13/472947713.db2.gz LHMUYTDRYQFKND-INIZCTEOSA-N 1 0 342.443 2.783 50 0 EFAARO c1ccc(NC[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000065477948 472953475 /nfs/dbraw/zinc/95/34/75/472953475.db2.gz QQRHHBKTVOULJJ-INIZCTEOSA-N 1 0 325.412 2.787 50 0 EFAARO Cc1nc(C)n(C[C@@H](C)c2nc(C3CC3)nn2-c2cc[nH+]cc2C)n1 ZINC000065494342 472956080 /nfs/dbraw/zinc/95/60/80/472956080.db2.gz XLJKZQFLEYHMFR-GFCCVEGCSA-N 1 0 337.431 2.860 50 0 EFAARO COc1ccccc1OCCC[N@H+]1CC=C(c2cnn(C)c2)CC1 ZINC000065499172 472957247 /nfs/dbraw/zinc/95/72/47/472957247.db2.gz FYNUWSWRXIBPBO-UHFFFAOYSA-N 1 0 327.428 2.987 50 0 EFAARO CC(C)[NH+]1CCC(C(=O)NC[C@@]2(c3ccc(F)cc3)CCOC2)CC1 ZINC000065495339 472957401 /nfs/dbraw/zinc/95/74/01/472957401.db2.gz JQKMPIJALTWGMB-FQEVSTJZSA-N 1 0 348.462 2.720 50 0 EFAARO O[C@@H](COCc1ccccc1Cl)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000065512249 472961732 /nfs/dbraw/zinc/96/17/32/472961732.db2.gz FSYCLVISJYQDLG-MRXNPFEDSA-N 1 0 349.862 2.820 50 0 EFAARO Cc1ccc(NC(=O)CNC(=O)C2([NH+]3CCCC3)CCCC2)c(F)c1 ZINC000065530237 472968066 /nfs/dbraw/zinc/96/80/66/472968066.db2.gz JFAPTGHROLSLOC-UHFFFAOYSA-N 1 0 347.434 2.597 50 0 EFAARO Cc1nnc2n1C[C@H]([NH2+]Cc1cc(Br)cs1)CC2 ZINC000065542856 472972704 /nfs/dbraw/zinc/97/27/04/472972704.db2.gz SFWJZTKEEZSJFH-SNVBAGLBSA-N 1 0 327.251 2.515 50 0 EFAARO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095373233 473192021 /nfs/dbraw/zinc/19/20/21/473192021.db2.gz JUWQUYDHKAMGLZ-DOTOQJQBSA-N 1 0 327.403 2.890 50 0 EFAARO CN(C)[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)c1ccc(F)cc1 ZINC000095390116 473194114 /nfs/dbraw/zinc/19/41/14/473194114.db2.gz CSSHWMJOFKJYQH-LJQANCHMSA-N 1 0 343.446 2.806 50 0 EFAARO O=c1cc(-c2ccccc2)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000096463833 473434392 /nfs/dbraw/zinc/43/43/92/473434392.db2.gz FCEYOFZXPJIJMA-UHFFFAOYSA-N 1 0 346.434 2.759 50 0 EFAARO O=C(N[C@H]1CCN(c2ccccn2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000126370391 473511570 /nfs/dbraw/zinc/51/15/70/473511570.db2.gz AXCUQNJVBMWDAS-FAKMSMKASA-N 1 0 340.471 2.928 50 0 EFAARO CCNC(=O)CC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000216345958 474140851 /nfs/dbraw/zinc/14/08/51/474140851.db2.gz MAGOHTCSJLHUAP-LJQANCHMSA-N 1 0 349.494 2.884 50 0 EFAARO C[N@@H+]1CCCN(CC(=O)N2CCCC[C@@H]2c2cccc(F)c2)CC1 ZINC000218935218 474146198 /nfs/dbraw/zinc/14/61/98/474146198.db2.gz LMDLZGZCYAQIKR-GOSISDBHSA-N 1 0 333.451 2.517 50 0 EFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCc2ccccc2O1 ZINC000220514605 474156347 /nfs/dbraw/zinc/15/63/47/474156347.db2.gz MKGHZPUXEFMQLZ-HXUWFJFHSA-N 1 0 336.435 2.555 50 0 EFAARO CSc1cccc(CN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)c1 ZINC000220744412 474157284 /nfs/dbraw/zinc/15/72/84/474157284.db2.gz FBKQTMXSUNTYFR-UHFFFAOYSA-N 1 0 329.473 2.622 50 0 EFAARO C[N@@H+]1CCC[C@@H](C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000222228387 474165831 /nfs/dbraw/zinc/16/58/31/474165831.db2.gz PCRKHWPBVPDYPS-GFCCVEGCSA-N 1 0 334.851 2.607 50 0 EFAARO Cc1nn(CCCNC(=O)C2([NH+]3CCCC3)CCCC2)c(C)c1C ZINC000222224886 474166252 /nfs/dbraw/zinc/16/62/52/474166252.db2.gz CNIAPJMEXQQDBF-UHFFFAOYSA-N 1 0 332.492 2.723 50 0 EFAARO O[C@H]1C[C@@H]([C@H]([NH2+]C2CCN(Cc3ccco3)CC2)c2ccccn2)C1 ZINC000222243250 474166999 /nfs/dbraw/zinc/16/69/99/474166999.db2.gz HQEAAVRBEVLGEJ-KNBMTAEXSA-N 1 0 341.455 2.741 50 0 EFAARO NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2[NH2+]C2CCCCCC2)cc1 ZINC000222338323 474167946 /nfs/dbraw/zinc/16/79/46/474167946.db2.gz QTVVLNOCXPAVME-QZTJIDSGSA-N 1 0 332.444 2.634 50 0 EFAARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCC2(CCOCC2)CC1 ZINC000222698557 474172390 /nfs/dbraw/zinc/17/23/90/474172390.db2.gz ASTSLFCONZTWSC-LJQANCHMSA-N 1 0 342.483 2.895 50 0 EFAARO Cc1cc(N2CCN(C(=O)[C@@H](C)n3cnc4ccccc43)CC2)cc[nH+]1 ZINC000222681701 474172947 /nfs/dbraw/zinc/17/29/47/474172947.db2.gz WVROTLVITSIHAX-MRXNPFEDSA-N 1 0 349.438 2.650 50 0 EFAARO CCCOc1ccccc1CNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000222815702 474175768 /nfs/dbraw/zinc/17/57/68/474175768.db2.gz WYAUIUDELHIHFJ-UHFFFAOYSA-N 1 0 327.432 2.664 50 0 EFAARO Cc1noc(C)c1CN(C)C(=O)C1(c2ccccc2)CC[NH+](C)CC1 ZINC000223335678 474184013 /nfs/dbraw/zinc/18/40/13/474184013.db2.gz UBPCASWNJCCABJ-UHFFFAOYSA-N 1 0 341.455 2.913 50 0 EFAARO Cc1nc(C(C)C)sc1CNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000223542987 474187563 /nfs/dbraw/zinc/18/75/63/474187563.db2.gz WFSLAGAPVMEOEV-UHFFFAOYSA-N 1 0 332.477 2.764 50 0 EFAARO CCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(N)c2)cc1 ZINC000226265399 474240557 /nfs/dbraw/zinc/24/05/57/474240557.db2.gz PRXKPLOJMCNARQ-UHFFFAOYSA-N 1 0 338.455 2.835 50 0 EFAARO O=C([C@@H]1CCOC1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000229328418 474252759 /nfs/dbraw/zinc/25/27/59/474252759.db2.gz IMIFBYPLOVBYMS-CEXWTWQISA-N 1 0 328.456 2.679 50 0 EFAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000239425741 474545458 /nfs/dbraw/zinc/54/54/58/474545458.db2.gz VECLMGKGWXLRCE-RCFCFVIZSA-N 1 0 327.509 2.934 50 0 EFAARO Cn1ncc2c1nc(C1CCCC1)nc2N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000240228130 474549776 /nfs/dbraw/zinc/54/97/76/474549776.db2.gz KGLPFFDZERDJFG-HNNXBMFYSA-N 1 0 340.475 2.695 50 0 EFAARO C[C@H]1CCCC[N@@H+]1C1CN(CCC(=O)NCc2cccc(Cl)c2)C1 ZINC000240500003 474550485 /nfs/dbraw/zinc/55/04/85/474550485.db2.gz NQLDGIFEYZNKGD-HNNXBMFYSA-N 1 0 349.906 2.905 50 0 EFAARO CC(C)(C)c1csc(NC(=O)CN2CC([NH+]3CCCCC3)C2)n1 ZINC000244734864 474565894 /nfs/dbraw/zinc/56/58/94/474565894.db2.gz NNDGBIDETQUVJV-UHFFFAOYSA-N 1 0 336.505 2.549 50 0 EFAARO CC[N@@H+](Cc1cn2cccc(C)c2n1)C[C@@H](O)c1cccc(O)c1 ZINC000244734562 474566589 /nfs/dbraw/zinc/56/65/89/474566589.db2.gz NHZZKOPGNTUSMV-GOSISDBHSA-N 1 0 325.412 2.904 50 0 EFAARO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@H](O)c2ccccc2)CC1 ZINC000291172547 474596266 /nfs/dbraw/zinc/59/62/66/474596266.db2.gz ZFYIFYNYMMAEBD-YJBOKZPZSA-N 1 0 333.476 2.530 50 0 EFAARO c1ccc(-c2ccnc(N3CC[NH+](C[C@@H]4CCCOC4)CC3)n2)cc1 ZINC000252485148 474671683 /nfs/dbraw/zinc/67/16/83/474671683.db2.gz GOBYZRTWMKCPSZ-KRWDZBQOSA-N 1 0 338.455 2.692 50 0 EFAARO C[C@H]1CCCC[N@@H+]1C1CN(CCC(=O)Nc2ccc(F)cc2F)C1 ZINC000252492026 474677326 /nfs/dbraw/zinc/67/73/26/474677326.db2.gz MBCXCHRDDHVCHW-ZDUSSCGKSA-N 1 0 337.414 2.852 50 0 EFAARO C[N@H+](CCC(=O)Nc1nccs1)Cc1cnc2ccccc2n1 ZINC000252502651 474683843 /nfs/dbraw/zinc/68/38/43/474683843.db2.gz USJVNSPKHRAGJF-UHFFFAOYSA-N 1 0 327.413 2.547 50 0 EFAARO COc1ccc(CC(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)c(OC)c1 ZINC000252504268 474683875 /nfs/dbraw/zinc/68/38/75/474683875.db2.gz VJAQSDPOKFUQHS-OAHLLOKOSA-N 1 0 346.471 2.627 50 0 EFAARO CC1=C(c2ccccc2)[C@@H]1C(=O)NCCCOC1CC[NH+](C)CC1 ZINC000252505723 474684250 /nfs/dbraw/zinc/68/42/50/474684250.db2.gz VTFAKGCCHLXSJH-LJQANCHMSA-N 1 0 328.456 2.707 50 0 EFAARO COc1ccc(CN(C)c2cc([C@H]3C[C@H]([NH3+])C3)nc(C)n2)cc1OC ZINC000252536022 474694762 /nfs/dbraw/zinc/69/47/62/474694762.db2.gz HLTWIMJXJDWYLQ-SHTZXODSSA-N 1 0 342.443 2.643 50 0 EFAARO Cc1c[nH]c(CN(C)C(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)n1 ZINC000299774602 476154574 /nfs/dbraw/zinc/15/45/74/476154574.db2.gz ILLJOSFPTHVOBM-UHFFFAOYSA-N 1 0 330.432 2.815 50 0 EFAARO Cc1ccc(C(F)(F)F)cc1CSc1nnc(CC[NH3+])n1C ZINC000426412231 477707242 /nfs/dbraw/zinc/70/72/42/477707242.db2.gz JVFBWQUBNGCIRN-UHFFFAOYSA-N 1 0 330.379 2.936 50 0 EFAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCOc3ccccc3C2)C1 ZINC000426412508 477707505 /nfs/dbraw/zinc/70/75/05/477707505.db2.gz WHHMWBQAQBAJHM-INIZCTEOSA-N 1 0 331.460 2.569 50 0 EFAARO COc1ccc2c(c1)[C@@H](C)N(C(=O)CSCC[NH+]1CCCC1)CC2 ZINC000426518699 477712079 /nfs/dbraw/zinc/71/20/79/477712079.db2.gz FHMNUNRDDQKYOP-OAHLLOKOSA-N 1 0 348.512 2.970 50 0 EFAARO [NH3+]CCc1nnc(SC[C@@H]2CCCCO2)n1-c1ccc(F)cc1 ZINC000426530789 477715566 /nfs/dbraw/zinc/71/55/66/477715566.db2.gz JLXUPGJIQXWWBO-AWEZNQCLSA-N 1 0 336.436 2.569 50 0 EFAARO Cc1ccc(OCCCN(C)C(=O)NC[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000426535885 477717103 /nfs/dbraw/zinc/71/71/03/477717103.db2.gz NWUYOUKYJROCJS-KRWDZBQOSA-N 1 0 333.476 2.665 50 0 EFAARO O=C(c1cc(Cl)c[nH]1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000426534013 477717183 /nfs/dbraw/zinc/71/71/83/477717183.db2.gz GWNZYPMCMCZNEH-UHFFFAOYSA-N 1 0 329.831 2.593 50 0 EFAARO Cc1ccc(NC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c2cccnc12 ZINC000426537718 477717396 /nfs/dbraw/zinc/71/73/96/477717396.db2.gz OQTPNOLQXMKILW-IRXDYDNUSA-N 1 0 340.427 2.528 50 0 EFAARO Cc1nc([C@@H]2CCOC2)cc(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000426535983 477717456 /nfs/dbraw/zinc/71/74/56/477717456.db2.gz XUJPMWCBWKLBQV-MRXNPFEDSA-N 1 0 330.476 2.744 50 0 EFAARO CC(=O)c1cc(CSc2nnc(C3CC[NH2+]CC3)n2C)cs1 ZINC000426548413 477718781 /nfs/dbraw/zinc/71/87/81/477718781.db2.gz COLFMPZIHPWIID-UHFFFAOYSA-N 1 0 336.486 2.839 50 0 EFAARO Nc1cc[nH+]c(-c2cccc(C(=O)NCC3(O)CCCCC3)c2)c1 ZINC000426555774 477721001 /nfs/dbraw/zinc/72/10/01/477721001.db2.gz BIKPFQWTBRUHEN-UHFFFAOYSA-N 1 0 325.412 2.756 50 0 EFAARO CN(Cc1ccccc1C[NH+](C)C)c1cc([C@@H]2CCOC2)ncn1 ZINC000426612305 477726382 /nfs/dbraw/zinc/72/63/82/477726382.db2.gz GOQCILDAQMJVKJ-QGZVFWFLSA-N 1 0 326.444 2.679 50 0 EFAARO C[NH2+]Cc1nnc(SCc2cccc(F)c2C(F)(F)F)n1C ZINC000426634344 477728986 /nfs/dbraw/zinc/72/89/86/477728986.db2.gz UQQCPSYYWTWISE-UHFFFAOYSA-N 1 0 334.342 2.985 50 0 EFAARO CN(CCOc1cccc(Cl)c1)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000426647848 477732494 /nfs/dbraw/zinc/73/24/94/477732494.db2.gz AFTPHSDKKXTNLT-OAHLLOKOSA-N 1 0 339.867 2.845 50 0 EFAARO O=C(N[C@H]1c2ccccc2C[C@@H]1O)C1([NH+]2CCCCC2)CCCCC1 ZINC000426668281 477736026 /nfs/dbraw/zinc/73/60/26/477736026.db2.gz IEGBSHFMLAECSK-OALUTQOASA-N 1 0 342.483 2.950 50 0 EFAARO Cc1ccc2[nH]c([C@@H](NC(=O)NCC3CC[NH2+]CC3)C(C)C)nc2c1 ZINC000426701509 477739612 /nfs/dbraw/zinc/73/96/12/477739612.db2.gz XWTSMIWDWAYPJL-KRWDZBQOSA-N 1 0 343.475 2.867 50 0 EFAARO CC(C)Oc1ccc(CCNC(=O)NCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000426701408 477740745 /nfs/dbraw/zinc/74/07/45/477740745.db2.gz KUWVFZHCZMMQHA-KRWDZBQOSA-N 1 0 333.476 2.848 50 0 EFAARO CC[NH+](CC)CCNC(=O)N(C)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000426701492 477740890 /nfs/dbraw/zinc/74/08/90/477740890.db2.gz VQDLKANXQZBBLR-UHFFFAOYSA-N 1 0 337.855 2.700 50 0 EFAARO Cc1cccc(C)c1OC1CN(C(=O)NC[C@H]2CCCC[N@H+]2C)C1 ZINC000426722691 477743767 /nfs/dbraw/zinc/74/37/67/477743767.db2.gz TWJZABQLDGQXAG-MRXNPFEDSA-N 1 0 331.460 2.560 50 0 EFAARO COCCN(Cc1ccsc1)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000534585494 478160545 /nfs/dbraw/zinc/16/05/45/478160545.db2.gz OXDIBQCRORTVOM-AWEZNQCLSA-N 1 0 339.505 2.636 50 0 EFAARO CN(CC[C@@H](O)c1ccccc1)C(=O)NCC1(C[NH+]2CCCC2)CC1 ZINC000534588386 478161282 /nfs/dbraw/zinc/16/12/82/478161282.db2.gz UISOAXGCTRZBIM-GOSISDBHSA-N 1 0 345.487 2.628 50 0 EFAARO CCN(Cc1noc(C2CCC2)n1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000534592128 478161988 /nfs/dbraw/zinc/16/19/88/478161988.db2.gz SIQUAQOGEINUMO-UHFFFAOYSA-N 1 0 349.479 2.743 50 0 EFAARO Cc1ccccc1[C@@H](CNC(=O)N(C)CC1CCOCC1)[NH+](C)C ZINC000534632395 478162972 /nfs/dbraw/zinc/16/29/72/478162972.db2.gz AEIDRGLCAJIGOQ-GOSISDBHSA-N 1 0 333.476 2.666 50 0 EFAARO C[C@H](CNC(=O)N1CCC(OCc2ccccc2)CC1)[NH+]1CCCC1 ZINC000534634199 478163756 /nfs/dbraw/zinc/16/37/56/478163756.db2.gz XJBMWVNMIVPNSA-QGZVFWFLSA-N 1 0 345.487 2.862 50 0 EFAARO COCCN(Cc1ccccc1Cl)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000534646614 478165419 /nfs/dbraw/zinc/16/54/19/478165419.db2.gz SHYZMNDRFRDMFY-OAHLLOKOSA-N 1 0 339.867 2.592 50 0 EFAARO CC(=O)N1CCC[C@@H]([NH2+]C2CCN(c3cc(C)cc(C)c3)CC2)C1 ZINC000534653035 478165577 /nfs/dbraw/zinc/16/55/77/478165577.db2.gz IYDUJJOXXWOEKI-LJQANCHMSA-N 1 0 329.488 2.873 50 0 EFAARO CN(C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000534670089 478167967 /nfs/dbraw/zinc/16/79/67/478167967.db2.gz MUWYKKBDVNZUBF-OAHLLOKOSA-N 1 0 344.846 2.760 50 0 EFAARO Cc1cccc(CN(C(=O)NCC[N@H+](C)CCO)C2CCCCC2)c1 ZINC000534669344 478168011 /nfs/dbraw/zinc/16/80/11/478168011.db2.gz IKMHUUQYXYJINC-UHFFFAOYSA-N 1 0 347.503 2.763 50 0 EFAARO CN(CC[C@H](O)c1ccccc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000534671597 478168464 /nfs/dbraw/zinc/16/84/64/478168464.db2.gz QLWGJBPGHQMISL-SFHVURJKSA-N 1 0 333.476 2.628 50 0 EFAARO C[C@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1c[nH]nc1-c1ccccc1 ZINC000534676819 478169907 /nfs/dbraw/zinc/16/99/07/478169907.db2.gz CIGFESBFXDNDNT-OAHLLOKOSA-N 1 0 341.459 2.702 50 0 EFAARO COc1ccc(CNC(=O)N(C)C[C@H](C)C[NH+]2CCCC2)cc1F ZINC000584885491 479270519 /nfs/dbraw/zinc/27/05/19/479270519.db2.gz IHXUIHDEGDFQAS-AWEZNQCLSA-N 1 0 337.439 2.708 50 0 EFAARO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000584887745 479270963 /nfs/dbraw/zinc/27/09/63/479270963.db2.gz UXXKTKCMMASHSB-CQSZACIVSA-N 1 0 345.399 2.671 50 0 EFAARO COCC[N@@H+]1CC[C@@H](C(=O)NCc2ccc(-c3ccccc3)o2)C1 ZINC000584885009 479271644 /nfs/dbraw/zinc/27/16/44/479271644.db2.gz BTPWIRQLGOHGBJ-MRXNPFEDSA-N 1 0 328.412 2.531 50 0 EFAARO O=C(c1ccnc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1)N1CCCCC1 ZINC000584890279 479273272 /nfs/dbraw/zinc/27/32/72/479273272.db2.gz NLPXDVTTYOZDNC-OAHLLOKOSA-N 1 0 328.460 2.604 50 0 EFAARO CCN(C[C@@H]1CC[N@H+](C)C1)C(=O)NCc1ccc(F)cc1Cl ZINC000584898471 479275391 /nfs/dbraw/zinc/27/53/91/479275391.db2.gz KVIUZCCXXANEFL-GFCCVEGCSA-N 1 0 327.831 2.962 50 0 EFAARO Cc1nonc1C[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000584896890 479275571 /nfs/dbraw/zinc/27/55/71/479275571.db2.gz FYMADUDRHWHDOW-UHFFFAOYSA-N 1 0 341.337 2.550 50 0 EFAARO CC[N@@H+]1CC[C@@H](NC(=O)N(CCCOC)Cc2ccc(C)cc2)C1 ZINC000584902886 479276746 /nfs/dbraw/zinc/27/67/46/479276746.db2.gz FCFQPSBVWHGQOF-GOSISDBHSA-N 1 0 333.476 2.637 50 0 EFAARO CC(=O)N1CCC([N@@H+]2CCN3CCC[C@H]3[C@H]2C2CCCCC2)CC1 ZINC000584904392 479278213 /nfs/dbraw/zinc/27/82/13/479278213.db2.gz BFRAASKCBXSFQW-VQTJNVASSA-N 1 0 333.520 2.726 50 0 EFAARO CC(=O)OC(C)(C)C(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575622428 479459379 /nfs/dbraw/zinc/45/93/79/479459379.db2.gz YRBWZGLMLJLJFT-HNNXBMFYSA-N 1 0 348.468 2.962 50 0 EFAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H](O)C1CCCCC1 ZINC000187080478 534670525 /nfs/dbraw/zinc/67/05/25/534670525.db2.gz GSDYKKBEQLYPLG-LJQANCHMSA-N 1 0 330.472 2.840 50 0 EFAARO COc1ccccc1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000004841651 524486392 /nfs/dbraw/zinc/48/63/92/524486392.db2.gz ZCXHIVUMEDPWRX-UHFFFAOYSA-N 1 0 341.440 2.553 50 0 EFAARO O[C@H](COc1ccccc1Cl)C[NH+]1CCN(c2ccccc2)CC1 ZINC000022574571 526293129 /nfs/dbraw/zinc/29/31/29/526293129.db2.gz FGOORCDFSHCTLK-KRWDZBQOSA-N 1 0 346.858 2.902 50 0 EFAARO NC(=O)c1cccc(NC(=O)NC[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000299774746 527084357 /nfs/dbraw/zinc/08/43/57/527084357.db2.gz IBIJXRYWOKMCDZ-CQSZACIVSA-N 1 0 344.459 2.562 50 0 EFAARO CC1(C)Cc2cc(CNc3cc([C@H]4C[C@@H](O)C4)[nH+]c(N)n3)ccc2O1 ZINC000244794904 534946593 /nfs/dbraw/zinc/94/65/93/534946593.db2.gz QVZXUVOSTRJUOT-XBXGTLAGSA-N 1 0 340.427 2.623 50 0 EFAARO CC(C)Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n(C)n1 ZINC000230204807 535336445 /nfs/dbraw/zinc/33/64/45/535336445.db2.gz NYWXNLZRXUUNNZ-WBVHZDCISA-N 1 0 332.492 2.613 50 0 biogenic EFAARO CCO[C@H]1C[N@@H+](C2CCN(c3ccc(C)c(Cl)c3)CC2)C[C@@H]1O ZINC000219159305 535635165 /nfs/dbraw/zinc/63/51/65/535635165.db2.gz JXVAVMQKNAFCBW-ROUUACIJSA-N 1 0 338.879 2.699 50 0 EFAARO CCO[C@H]1C[N@H+](CC)C[C@@H]1NC(=O)c1cc2c(cccc2Cl)n1C ZINC000426504422 535635879 /nfs/dbraw/zinc/63/58/79/535635879.db2.gz DONJUGAVVDQULU-YOEHRIQHSA-N 1 0 349.862 2.671 50 0 EFAARO C[NH+](C)CCNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000218278235 535883334 /nfs/dbraw/zinc/88/33/34/535883334.db2.gz SWAYQQUFNGAJOJ-MRXNPFEDSA-N 1 0 333.863 2.993 50 0 EFAARO CCc1ccccc1OC1CN(C(=O)NCC[C@@H]2CCC[N@@H+]2C)C1 ZINC000426388046 535964409 /nfs/dbraw/zinc/96/44/09/535964409.db2.gz VCDDFKHRMZGLDH-INIZCTEOSA-N 1 0 331.460 2.506 50 0 EFAARO CN1CCN(C(=O)C2([NH+]3CCCC3)CCCC2)C[C@@H]1c1ccccc1 ZINC000215555564 536400546 /nfs/dbraw/zinc/40/05/46/536400546.db2.gz XWXWTCKBECOOEH-LJQANCHMSA-N 1 0 341.499 2.910 50 0 EFAARO Cn1c2ccccc2cc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c1=O ZINC000244828636 536460916 /nfs/dbraw/zinc/46/09/16/536460916.db2.gz TZWDZUDEPJDXIU-SFHVURJKSA-N 1 0 334.419 2.974 50 0 EFAARO CN(Cc1noc2c1CCCC2)C(=O)NC(C)(C)C[NH+]1CCCCC1 ZINC000426411169 536487436 /nfs/dbraw/zinc/48/74/36/536487436.db2.gz CEYYRUVQVXHFAD-UHFFFAOYSA-N 1 0 348.491 2.959 50 0 EFAARO COc1ccc(-n2c(C[NH3+])nnc2SCC[C@H]2CC2(F)F)cc1 ZINC000426472608 536552763 /nfs/dbraw/zinc/55/27/63/536552763.db2.gz CQHIWADSRHIHNH-JTQLQIEISA-N 1 0 340.399 2.872 50 0 EFAARO COc1ccc(-c2ccc3c(c2)OC[C@@H]([NH+]2CCCC2)[C@@H]3O)cn1 ZINC000426494317 536896785 /nfs/dbraw/zinc/89/67/85/536896785.db2.gz FNBSAYZCGSAQDU-VQIMIIECSA-N 1 0 326.396 2.647 50 0 EFAARO COc1ccc2cc(CN(C)C(=O)C[NH2+]C[C@@H]3CCCO3)ccc2c1 ZINC000263261625 537032379 /nfs/dbraw/zinc/03/23/79/537032379.db2.gz SSEIBOBHAGHYLD-IBGZPJMESA-N 1 0 342.439 2.575 50 0 EFAARO COc1cccc(-c2ncc(CSc3nnc(C[NH3+])n3C)s2)c1 ZINC000426496612 537070196 /nfs/dbraw/zinc/07/01/96/537070196.db2.gz BRCBEYOTGUQIFL-UHFFFAOYSA-N 1 0 347.469 2.698 50 0 EFAARO [NH3+]CC[C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CCO1 ZINC000223002708 545561182 /nfs/dbraw/zinc/56/11/82/545561182.db2.gz VKQAVYYHWOZKML-SFHVURJKSA-N 1 0 326.396 2.669 50 0 EFAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)C1CCN(C(=O)OC(C)C)CC1 ZINC000670436135 547489103 /nfs/dbraw/zinc/48/91/03/547489103.db2.gz PZWKQXOYCULSCO-UHFFFAOYSA-N 1 0 336.480 2.900 50 0 EFAARO Cc1nc(CC(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)cs1 ZINC000670437452 547489469 /nfs/dbraw/zinc/48/94/69/547489469.db2.gz LGPDSYKRWXMEMZ-QGZVFWFLSA-N 1 0 344.484 2.732 50 0 EFAARO Cc1ccc(N2CCC([NH+]3CCC4(CCC(=O)N4)CC3)CC2)cc1 ZINC000670440843 547490322 /nfs/dbraw/zinc/49/03/22/547490322.db2.gz MBUIGYNWOFFDJG-UHFFFAOYSA-N 1 0 327.472 2.708 50 0 EFAARO Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000670445180 547490697 /nfs/dbraw/zinc/49/06/97/547490697.db2.gz UBHYRJQILURQPR-ZDUSSCGKSA-N 1 0 338.883 2.605 50 0 EFAARO CCOc1ccc(C[N@@H+]2CC[C@@H](CC(=O)NC)C2)c(OCC)c1C ZINC000670452704 547492481 /nfs/dbraw/zinc/49/24/81/547492481.db2.gz NGPNTWPWIHJNPK-HNNXBMFYSA-N 1 0 334.460 2.750 50 0 EFAARO CCn1ccc2cc(CN3CC[N@H+](CC4CC4)[C@H](CCO)C3)ccc21 ZINC000670453079 547492555 /nfs/dbraw/zinc/49/25/55/547492555.db2.gz KYOIVGZMGPVNIF-HXUWFJFHSA-N 1 0 341.499 2.940 50 0 EFAARO Cc1nc2cc(CC(=O)NCC3([NH+](C)C)CCCCC3)ccc2[nH]1 ZINC000670463619 547494182 /nfs/dbraw/zinc/49/41/82/547494182.db2.gz MIMGGQFXXJYNSE-UHFFFAOYSA-N 1 0 328.460 2.795 50 0 EFAARO COc1ccc(C(=O)NC2CC[NH+](Cc3c(C)noc3C)CC2)cc1 ZINC000169751773 564100000 /nfs/dbraw/zinc/10/00/00/564100000.db2.gz BJEVDYXZYRHETK-UHFFFAOYSA-N 1 0 343.427 2.694 50 0 EFAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)Cc2ccc(C)cc2)CC1 ZINC000169751646 564100050 /nfs/dbraw/zinc/10/00/50/564100050.db2.gz BYQBIMNCYGPQHW-UHFFFAOYSA-N 1 0 341.455 2.923 50 0 EFAARO CC[C@H](C)CNC(=O)C1(CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000299804037 568419839 /nfs/dbraw/zinc/41/98/39/568419839.db2.gz UHHHJWVMGQLORV-KRWDZBQOSA-N 1 0 332.488 2.814 50 0 EFAARO Cc1cc(C)cc(N2CCC([N@H+]3C[C@@H]4CCCN4C(=O)[C@@H]3C)CC2)c1 ZINC001772706059 1249291853 /nfs/dbraw/zinc/29/18/53/1249291853.db2.gz PRBAPUXZEZJTEM-HKUYNNGSSA-N 1 0 341.499 2.967 50 0 EFAARO CN1CCC[C@]2(CC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)C1=O ZINC000012750780 1265468981 /nfs/dbraw/zinc/46/89/81/1265468981.db2.gz FWFMPIUDJJTQES-QGZVFWFLSA-N 1 0 336.819 2.513 50 0 EFAARO O=C(NCC1CC[NH+]([C@@H]2CCOC2)CC1)Nc1ccccc1Cl ZINC000618255232 1263286666 /nfs/dbraw/zinc/28/66/66/1263286666.db2.gz ABLOWHRTMYLKSP-CQSZACIVSA-N 1 0 337.851 2.962 50 0 EFAARO Cc1ncc(C[NH2+][C@H]2CC(=O)N(Cc3cccc4ccccc43)C2)cn1 ZINC000011760493 1263693574 /nfs/dbraw/zinc/69/35/74/1263693574.db2.gz BLQLGELRPUEXJA-IBGZPJMESA-N 1 0 346.434 2.829 50 0 EFAARO CC(C)c1ncc(CN2CCCO[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000822278827 1265068648 /nfs/dbraw/zinc/06/86/48/1265068648.db2.gz PKZWZNAZRGRYKE-GOSISDBHSA-N 1 0 332.492 2.677 50 0 EFAARO CCOc1ncccc1C(=O)N[C@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000823405618 1265332982 /nfs/dbraw/zinc/33/29/82/1265332982.db2.gz PRSHADDCBMIBKP-OAHLLOKOSA-N 1 0 339.439 2.657 50 0 EFAARO CN(C)C(=O)c1cccc(NC[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000823639133 1265403803 /nfs/dbraw/zinc/40/38/03/1265403803.db2.gz ABRDTUMJOTUMQW-OAHLLOKOSA-N 1 0 330.476 2.850 50 0 EFAARO COc1ccc(Cc2nnc(CN3CCCCCC3)[nH]2)cc1OC ZINC000824603796 1266924968 /nfs/dbraw/zinc/92/49/68/1266924968.db2.gz UFZBEFKHGSPYDH-UHFFFAOYSA-N 1 0 330.432 2.789 50 0 EFAARO COc1cccc(-c2nn3c(nnc3C3CC[NH+](C)CC3)s2)c1 ZINC000824789993 1266943557 /nfs/dbraw/zinc/94/35/57/1266943557.db2.gz WFBSMIQZUVXWDL-UHFFFAOYSA-N 1 0 329.429 2.671 50 0 EFAARO COc1ccccc1Cc1nn2c(nnc2C2CC[NH+](C)CC2)s1 ZINC000824821834 1266946601 /nfs/dbraw/zinc/94/66/01/1266946601.db2.gz BKJUIEDLMLJJJJ-UHFFFAOYSA-N 1 0 343.456 2.594 50 0 EFAARO CSCC[NH+]1CCC(NC(=O)N(C)[C@H](C)c2ccncc2)CC1 ZINC000824901243 1266964256 /nfs/dbraw/zinc/96/42/56/1266964256.db2.gz FASVIRGUOGZJLO-CQSZACIVSA-N 1 0 336.505 2.611 50 0 EFAARO [NH3+][C@@H]1CCN(C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)C1 ZINC000826951603 1267335060 /nfs/dbraw/zinc/33/50/60/1267335060.db2.gz GAHPHDMUYUQDFN-YMAMQOFZSA-N 1 0 341.459 2.579 50 0 EFAARO Cc1cc(NCC[N@@H+]2CCC[C@H](CO)C2)c2cc(F)cc(F)c2n1 ZINC000828711279 1267883784 /nfs/dbraw/zinc/88/37/84/1267883784.db2.gz XYTNVIZFEMKVAH-ZDUSSCGKSA-N 1 0 335.398 2.938 50 0 EFAARO CCC[NH+]1CCN(c2ccc(-c3nc(CC(C)C)no3)cn2)CC1 ZINC000012439836 1268387310 /nfs/dbraw/zinc/38/73/10/1268387310.db2.gz BCLMLQLTBIGGNO-UHFFFAOYSA-N 1 0 329.448 2.862 50 0 EFAARO O=C1N(Cc2ccccc2F)CCC[C@]12CC[N@@H+](C1CCOCC1)C2 ZINC000012455796 1268529660 /nfs/dbraw/zinc/52/96/60/1268529660.db2.gz DVMAIOHXDBALAS-HXUWFJFHSA-N 1 0 346.446 2.819 50 0 EFAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@@H]1CCCO1 ZINC000012458790 1268548326 /nfs/dbraw/zinc/54/83/26/1268548326.db2.gz CYOFNCOYMSGODX-IBGZPJMESA-N 1 0 348.462 2.718 50 0 EFAARO COc1cncc(C[C@@H]2CC[C@H](C[N@H+](C)Cc3cccnc3)O2)c1 ZINC000065407007 1271339380 /nfs/dbraw/zinc/33/93/80/1271339380.db2.gz SSRYFLDPVRCHJP-ZWKOTPCHSA-N 1 0 327.428 2.707 50 0 EFAARO CC(C)(C)c1ccc(=O)n(CC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000585499134 1281872719 /nfs/dbraw/zinc/87/27/19/1281872719.db2.gz CTBVTIIAXCWMMV-SJORKVTESA-N 1 0 347.503 2.556 50 0 EFAARO Cc1ccc(=O)n(CC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)n1 ZINC000585502817 1281872822 /nfs/dbraw/zinc/87/28/22/1281872822.db2.gz YSWYZMLLDKQTTN-UHFFFAOYSA-N 1 0 333.382 2.742 50 0 EFAARO CC(C)(C)c1ccc(=O)n(CC2CC[NH+](C[C@@H]3CCCOC3)CC2)n1 ZINC000585500022 1281872899 /nfs/dbraw/zinc/87/28/99/1281872899.db2.gz XCQUHLILFPFZFY-KRWDZBQOSA-N 1 0 347.503 2.679 50 0 EFAARO C[C@H](CCNC(=O)CC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(C)CC1 ZINC000952963769 1284921423 /nfs/dbraw/zinc/92/14/23/1284921423.db2.gz KBUWRXPRTZPQQU-HINLZNOGSA-N 1 0 347.547 2.735 50 0 EFAARO OC[C@H]1CCCN(CC[NH2+]Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000952963893 1284923257 /nfs/dbraw/zinc/92/32/57/1284923257.db2.gz AJQURVGFKLNUJT-AWEZNQCLSA-N 1 0 349.475 2.743 50 0 EFAARO CSCC[NH+]1CCN(Cc2nn(C)c3cccc(Cl)c23)CC1 ZINC000952966359 1284925625 /nfs/dbraw/zinc/92/56/25/1284925625.db2.gz SUDKZKAPBYTBNM-UHFFFAOYSA-N 1 0 338.908 2.707 50 0 EFAARO OC[C@H]1CCC[N@H+](CCCNc2nnc(-c3ccccc3)s2)C1 ZINC000952972233 1284942720 /nfs/dbraw/zinc/94/27/20/1284942720.db2.gz VDGMUTAMWYJPIM-AWEZNQCLSA-N 1 0 332.473 2.711 50 0 EFAARO COc1ccccc1CN(CCc1ccc(F)cc1)C(=O)[C@H](C)[NH3+] ZINC000952973212 1284945613 /nfs/dbraw/zinc/94/56/13/1284945613.db2.gz MYDHTTIZVKQBBV-AWEZNQCLSA-N 1 0 330.403 2.753 50 0 EFAARO COc1cc2c(cc1C[NH2+]CCC(=O)Nc1ccccc1C)OCO2 ZINC000952977207 1284952002 /nfs/dbraw/zinc/95/20/02/1284952002.db2.gz ACPRFFNMVRFHHZ-UHFFFAOYSA-N 1 0 342.395 2.851 50 0 EFAARO Cc1c(Cl)cccc1S(=O)(=O)N(C)C[C@@H]1CCCC[N@@H+]1C ZINC000952977799 1284954103 /nfs/dbraw/zinc/95/41/03/1284954103.db2.gz OYBZHROPDCEAKT-ZDUSSCGKSA-N 1 0 330.881 2.753 50 0 EFAARO C[N@@H+]1CCC[C@H]1C(=O)N(Cc1ccncc1)Cc1ccc(F)cc1 ZINC000952979432 1284957592 /nfs/dbraw/zinc/95/75/92/1284957592.db2.gz YIQFARJTCMECAG-SFHVURJKSA-N 1 0 327.403 2.844 50 0 EFAARO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000952979185 1284958134 /nfs/dbraw/zinc/95/81/34/1284958134.db2.gz VALQTKFZXIOKKP-MRXNPFEDSA-N 1 0 330.501 2.963 50 0 EFAARO CNC(=O)c1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000952991733 1284967529 /nfs/dbraw/zinc/96/75/29/1284967529.db2.gz RYXVLNYRVWDJFK-UHFFFAOYSA-N 1 0 325.412 2.669 50 0 EFAARO Cc1ccc(C(=O)NC(C)C)cc1NC(=O)c1ccc(CC[NH3+])cc1 ZINC000952983207 1284978974 /nfs/dbraw/zinc/97/89/74/1284978974.db2.gz SFCAIZFHAFREAW-UHFFFAOYSA-N 1 0 339.439 2.887 50 0 EFAARO CC[N@H+](C)C1(CNC(=O)c2n[nH]c(=O)c3ccccc32)CCCCC1 ZINC000952984782 1284984631 /nfs/dbraw/zinc/98/46/31/1284984631.db2.gz AUHPIPVTXHLZNX-UHFFFAOYSA-N 1 0 342.443 2.720 50 0 EFAARO C[NH+](C)CC1(CO)CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000952985932 1284987527 /nfs/dbraw/zinc/98/75/27/1284987527.db2.gz UICLYIOGBBSKLV-UHFFFAOYSA-N 1 0 348.531 2.756 50 0 EFAARO COc1ncc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)cn1 ZINC000952990157 1284995411 /nfs/dbraw/zinc/99/54/11/1284995411.db2.gz VZBFCFQQRWXRPR-UHFFFAOYSA-N 1 0 338.455 2.508 50 0 EFAARO CC(C)n1ccnc1C1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000091616431 1290312450 /nfs/dbraw/zinc/31/24/50/1290312450.db2.gz KDGRMCTVIZXOOD-GOSISDBHSA-N 1 0 340.471 2.740 50 0 EFAARO CC1CCC([C@H]([NH3+])C2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000958528839 1292865612 /nfs/dbraw/zinc/86/56/12/1292865612.db2.gz WNDFWHGAPKRIPZ-NRXISQOPSA-N 1 0 326.481 2.902 50 0 EFAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000305057610 1295863722 /nfs/dbraw/zinc/86/37/22/1295863722.db2.gz FORCNKAXYFPJCO-CQSZACIVSA-N 1 0 339.443 2.529 50 0 EFAARO CC(C)[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000885939175 1296013766 /nfs/dbraw/zinc/01/37/66/1296013766.db2.gz UHXQEDXQRYIGIA-OAHLLOKOSA-N 1 0 330.881 2.632 50 0 EFAARO CCOC(=O)C1(CCOC)CC[NH+](C2CSCCSC2)CC1 ZINC000012762773 1307240903 /nfs/dbraw/zinc/24/09/03/1307240903.db2.gz GCMRMOBMAMSPBI-UHFFFAOYSA-N 1 0 347.546 2.517 50 0 EFAARO c1ncc(C[NH+]2CCC(Cn3cc(Cc4ccccc4)nn3)CC2)[nH]1 ZINC000019300049 1314417850 /nfs/dbraw/zinc/41/78/50/1314417850.db2.gz FIPOZFLDRZCUHX-UHFFFAOYSA-N 1 0 336.443 2.504 50 0 EFAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CC1CCCCC1)C2 ZINC000014538140 1311158635 /nfs/dbraw/zinc/15/86/35/1311158635.db2.gz CYQHZTVKYPYMNA-INIZCTEOSA-N 1 0 344.503 2.683 50 0 EFAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]C(C)C)C2 ZINC000014733286 1311230358 /nfs/dbraw/zinc/23/03/58/1311230358.db2.gz PCEOOHPPNMCNMI-OAHLLOKOSA-N 1 0 332.492 2.630 50 0 EFAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]C1CCCC1)C2 ZINC000014743418 1311231836 /nfs/dbraw/zinc/23/18/36/1311231836.db2.gz XBLVUGQXDIFQQF-INIZCTEOSA-N 1 0 344.503 2.919 50 0 EFAARO CC(C)(O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000014948150 1311402034 /nfs/dbraw/zinc/40/20/34/1311402034.db2.gz JGUWMQFWGYPLON-NRFANRHFSA-N 1 0 344.499 2.705 50 0 EFAARO CC(C)NC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000014971709 1311412650 /nfs/dbraw/zinc/41/26/50/1311412650.db2.gz JPCQSYKKXZXOEZ-IBGZPJMESA-N 1 0 343.515 2.888 50 0 EFAARO Cc1c(C(=O)NCC(C)C)sc2ncnc(NCCC[NH+](C)C)c12 ZINC000014990930 1311429334 /nfs/dbraw/zinc/42/93/34/1311429334.db2.gz PIFMSJZMWPSJMJ-UHFFFAOYSA-N 1 0 349.504 2.749 50 0 EFAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)C[NH+]1CCCCC1 ZINC000015062995 1311466507 /nfs/dbraw/zinc/46/65/07/1311466507.db2.gz CQJDRVQUEXWYRS-CQSZACIVSA-N 1 0 339.443 2.510 50 0 EFAARO Cc1c(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)cnn1C ZINC000019788800 1314539829 /nfs/dbraw/zinc/53/98/29/1314539829.db2.gz FDRRJASMFWHARC-FQEVSTJZSA-N 1 0 326.488 2.867 50 0 EFAARO O=C(N[C@@H]1CC(=O)Nc2ccccc21)c1ccc(C[NH+]2CCCC2)o1 ZINC000020997258 1314755632 /nfs/dbraw/zinc/75/56/32/1314755632.db2.gz NAGXAVMAZMGJCQ-MRXNPFEDSA-N 1 0 339.395 2.689 50 0 EFAARO c1cncc(-c2nc3c(c(N4C[C@@H]5CC=CC[C@@H]5C4)n2)CC[NH2+]CC3)c1 ZINC000072431479 1316229595 /nfs/dbraw/zinc/22/95/95/1316229595.db2.gz QMXMEZLBVOJVIC-CALCHBBNSA-N 1 0 347.466 2.629 50 0 EFAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000073740811 1316251745 /nfs/dbraw/zinc/25/17/45/1316251745.db2.gz QKQAQRHMHXDVDL-SFHVURJKSA-N 1 0 341.455 2.622 50 0 EFAARO Cc1cc2c(c(I)cn2CC[NH3+])c(Cl)n1 ZINC001501018207 1403407187 /nfs/dbraw/zinc/40/71/87/1403407187.db2.gz CCRJMJXWYIJSCY-UHFFFAOYSA-N 1 0 335.576 2.561 50 0 EFAARO Cc1cnc(Cl)c2c(I)cn(CC[NH3+])c21 ZINC001501018255 1403407212 /nfs/dbraw/zinc/40/72/12/1403407212.db2.gz OTAFAQHHHXCHEW-UHFFFAOYSA-N 1 0 335.576 2.561 50 0 EFAARO C[N@@H+]1CCC[C@H](c2nnc3sc(COc4ccccc4)nn32)C1 ZINC001501040549 1403416573 /nfs/dbraw/zinc/41/65/73/1403416573.db2.gz WLIXIRLADBAJSS-LBPRGKRZSA-N 1 0 329.429 2.574 50 0 EFAARO C[C@@H](Cc1ccsc1)[NH2+]C1CCN(C(=O)c2cccnc2)CC1 ZINC001506398020 1405749767 /nfs/dbraw/zinc/74/97/67/1405749767.db2.gz RMCNNPCWFCBJDZ-AWEZNQCLSA-N 1 0 329.469 2.969 50 0 EFAARO COc1ccc(OCCC[NH+]2CCN(c3cccnc3)CC2)cc1 ZINC001506395763 1405750070 /nfs/dbraw/zinc/75/00/70/1405750070.db2.gz MNEKKAYIRDEDPG-UHFFFAOYSA-N 1 0 327.428 2.681 50 0 EFAARO O=C1CC[C@@H](N2CCC[N@@H+](C3CCCC3)CC2)CCN1CC1CC1 ZINC001506395886 1405750131 /nfs/dbraw/zinc/75/01/31/1405750131.db2.gz CAAKRWJYJWVMLM-LJQANCHMSA-N 1 0 333.520 2.728 50 0 EFAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc2c(c1)ncn2C ZINC001506404747 1405753205 /nfs/dbraw/zinc/75/32/05/1405753205.db2.gz FTWMAPPKFSDQKU-SFHVURJKSA-N 1 0 348.450 2.702 50 0 EFAARO COc1ccc(OCCC[N@@H+]2CCC[C@@H](c3cc(=O)[nH]cn3)C2)cc1 ZINC001506407421 1405754185 /nfs/dbraw/zinc/75/41/85/1405754185.db2.gz RXXBVSLAOSDBLQ-OAHLLOKOSA-N 1 0 343.427 2.839 50 0 EFAARO COCCn1cncc1C[NH2+]C1CCN(c2ccc(C)cc2)CC1 ZINC001506407714 1405755202 /nfs/dbraw/zinc/75/52/02/1405755202.db2.gz JSWOVIYFYWCIIT-UHFFFAOYSA-N 1 0 328.460 2.597 50 0 EFAARO Cc1nncn1CCN1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001506414287 1405758682 /nfs/dbraw/zinc/75/86/82/1405758682.db2.gz XMHKWDHJZBGSKB-UHFFFAOYSA-N 1 0 341.503 2.702 50 0 EFAARO CN(C)S(=O)(=O)CCC[N@H+](C)C[C@@]1(c2ccccc2)CC1(C)C ZINC001506417355 1405759899 /nfs/dbraw/zinc/75/98/99/1405759899.db2.gz IWHXMFDZLWLWEB-GOSISDBHSA-N 1 0 338.517 2.568 50 0 EFAARO Cn1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CCc2cccs2)n1 ZINC001506416492 1405760142 /nfs/dbraw/zinc/76/01/42/1405760142.db2.gz GRHZCMQVWRSBSX-AWEZNQCLSA-N 1 0 332.473 2.907 50 0 EFAARO COc1ccc(OCCC[N@@H+]2CCOc3ccc(CO)cc3C2)cc1 ZINC001506427012 1405764391 /nfs/dbraw/zinc/76/43/91/1405764391.db2.gz RACXPWXYUNVWMW-UHFFFAOYSA-N 1 0 343.423 2.851 50 0 EFAARO CN(C(=O)CCc1cccc(O)c1)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001704280441 1417898213 /nfs/dbraw/zinc/89/82/13/1417898213.db2.gz IKEMOMDKRNYAPM-USTZCAOPSA-N 1 0 330.472 2.902 50 0 EFAARO Cc1cc(C(N)=O)c(NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)nc1C ZINC001704300322 1417901298 /nfs/dbraw/zinc/90/12/98/1417901298.db2.gz UTWZDEMBGRBREC-HNNXBMFYSA-N 1 0 342.443 2.714 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)Cc1ccccc1OC(F)F ZINC001704307335 1417902934 /nfs/dbraw/zinc/90/29/34/1417902934.db2.gz WSTZCTHOURYKNR-UHFFFAOYSA-N 1 0 338.402 2.883 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)c1csc2c1CCCC2 ZINC001704309777 1417903455 /nfs/dbraw/zinc/90/34/55/1417903455.db2.gz SKDYWMIJJMCBCD-UHFFFAOYSA-N 1 0 346.500 2.862 50 0 EFAARO COc1cccc(OC)c1C[NH+]1CCC2(CC1)C[C@@](C)(O)CCO2 ZINC001704312023 1417904008 /nfs/dbraw/zinc/90/40/08/1417904008.db2.gz XMQHWJOWPJLYBN-SFHVURJKSA-N 1 0 335.444 2.600 50 0 EFAARO C[NH+](C)CCN(Cc1c[nH]cn1)C(=O)CCCc1ccc(Cl)cc1 ZINC001704311665 1417904057 /nfs/dbraw/zinc/90/40/57/1417904057.db2.gz PARICNKKZDOCNZ-UHFFFAOYSA-N 1 0 348.878 2.976 50 0 EFAARO CCNC(=O)c1ccc(N[C@@H](CC[NH+](C)C)c2ccccc2)nc1 ZINC001704313638 1417904992 /nfs/dbraw/zinc/90/49/92/1417904992.db2.gz KUTPOFYRIJZWDW-KRWDZBQOSA-N 1 0 326.444 2.936 50 0 EFAARO CC(=O)c1cnc(N2CCCN(Cc3cccs3)CC2)nc1C ZINC001704330428 1417908573 /nfs/dbraw/zinc/90/85/73/1417908573.db2.gz IWEWLNGOLUVCIZ-UHFFFAOYSA-N 1 0 330.457 2.761 50 0 EFAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)c1cc(F)ccc1Cl ZINC001704335764 1417909691 /nfs/dbraw/zinc/90/96/91/1417909691.db2.gz RFZWKLDETQZSBL-UHFFFAOYSA-N 1 0 338.814 2.715 50 0 EFAARO C[NH+](C)CCN(Cc1c[nH]cn1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001704337751 1417911197 /nfs/dbraw/zinc/91/11/97/1417911197.db2.gz YXIBRGIYWBJBEJ-UHFFFAOYSA-N 1 0 328.460 2.911 50 0 EFAARO Cc1ccc(Cl)c(C(=O)N2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)c1 ZINC001704339608 1417911555 /nfs/dbraw/zinc/91/15/55/1417911555.db2.gz SVPHBKIMASGHPL-SJLPKXTDSA-N 1 0 336.863 2.567 50 0 EFAARO Fc1ccc2nc(C[N@@H+]3CCC[C@@H](N4CCOCC4)C3)ccc2c1 ZINC000022851694 715248676 /nfs/dbraw/zinc/24/86/76/715248676.db2.gz XMJORVCLWKQPKN-GOSISDBHSA-N 1 0 329.419 2.671 50 0 EFAARO CN(c1ccccc1)c1ccc(CN2CC[N@H+](C)[C@H](CCO)C2)cc1 ZINC000104544200 715746778 /nfs/dbraw/zinc/74/67/78/715746778.db2.gz IVACGURDWMTGAV-OAQYLSRUSA-N 1 0 339.483 2.953 50 0 EFAARO OCc1ccc(C[NH2+][C@H]2CCCN(CCCc3ccccc3)C2)o1 ZINC000023375151 718115639 /nfs/dbraw/zinc/11/56/39/718115639.db2.gz DWJSTMDUDZYTNA-SFHVURJKSA-N 1 0 328.456 2.959 50 0 EFAARO C[C@@H]1C[N@H+]([C@H]2CCC(=O)N(Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000019742626 719398156 /nfs/dbraw/zinc/39/81/56/719398156.db2.gz WKZYIBHOIJFENT-DAYGRLMNSA-N 1 0 334.435 2.816 50 0 EFAARO