smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(c1cc2ccccc2nc1Cl)N1CCCCC12CC[NH2+]CC2 ZINC001164421136 718910852 /nfs/dbraw/zinc/91/08/52/718910852.db2.gz PSMNNPJFBULPEX-UHFFFAOYSA-N 1 0 365.855 4.546 20 0 FJADRO Clc1cccc(-c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)c1 ZINC001165046595 721975673 /nfs/dbraw/zinc/97/56/73/721975673.db2.gz AOTGESAZIXMRDR-LJQANCHMSA-N 1 0 370.928 4.642 20 0 FJADRO CC(C)c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164997295 722201300 /nfs/dbraw/zinc/20/13/00/722201300.db2.gz YTBWWUVBNQHXAF-JOCHJYFZSA-N 1 0 353.485 4.589 20 0 FJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc4ccsc4cn2)C3)c1 ZINC001164996668 722203605 /nfs/dbraw/zinc/20/36/05/722203605.db2.gz UZNUSRPSGRHLFC-OAQYLSRUSA-N 1 0 367.493 4.680 20 0 FJADRO COc1ccc(C)cc1[C@@H](C)NCc1cc(Br)ccc1F ZINC000035015246 204002168 /nfs/dbraw/zinc/00/21/68/204002168.db2.gz JGPKSFCMMCOLCJ-GFCCVEGCSA-N 1 0 352.247 4.756 20 0 FJADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000028821387 204890336 /nfs/dbraw/zinc/89/03/36/204890336.db2.gz JIGJYOFQTSHTPK-UHFFFAOYSA-N 1 0 358.485 4.543 20 0 FJADRO c1ccc(-c2cccc(C[NH+]3CCC4(CC3)OCc3ccccc34)c2)nc1 ZINC000040980929 205086037 /nfs/dbraw/zinc/08/60/37/205086037.db2.gz ZKBHALUUDNBLKS-UHFFFAOYSA-N 1 0 356.469 4.770 20 0 FJADRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000054396489 205200642 /nfs/dbraw/zinc/20/06/42/205200642.db2.gz AOFMHUDSSPMDNE-ZDUSSCGKSA-N 1 0 362.395 4.530 20 0 FJADRO CC(C)Sc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000108076954 206026619 /nfs/dbraw/zinc/02/66/19/206026619.db2.gz PBHVCGSAPMYMMG-UHFFFAOYSA-N 1 0 368.546 4.713 20 0 FJADRO CC(C)([NH2+]Cc1cccc2c1OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000109618019 206061044 /nfs/dbraw/zinc/06/10/44/206061044.db2.gz SOJLSCRYQRJMGF-UHFFFAOYSA-N 1 0 352.261 4.790 20 0 FJADRO c1ccc(COc2cccc(C[NH2+]CCCc3nc4ccccc4[nH]3)c2)cc1 ZINC000113407284 206090688 /nfs/dbraw/zinc/09/06/88/206090688.db2.gz QOCPMIHMTCZWNE-UHFFFAOYSA-N 1 0 371.484 4.864 20 0 FJADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21)c1cccc(Cl)c1 ZINC000115551467 206096069 /nfs/dbraw/zinc/09/60/69/206096069.db2.gz HFLUYXICAKBDLY-KGLIPLIRSA-N 1 0 353.853 4.566 20 0 FJADRO C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000127642303 206119729 /nfs/dbraw/zinc/11/97/29/206119729.db2.gz VVKXROROVWKMBH-IRXDYDNUSA-N 1 0 362.395 4.509 20 0 FJADRO FC(F)(F)c1cccc(C[NH2+]Cc2ccc(Br)s2)c1 ZINC000019906750 206327581 /nfs/dbraw/zinc/32/75/81/206327581.db2.gz VDSKXPRLDVGXIF-UHFFFAOYSA-N 1 0 350.203 4.819 20 0 FJADRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(Br)s2)c1 ZINC000038002884 211342624 /nfs/dbraw/zinc/34/26/24/211342624.db2.gz SLKCEOVULPABKO-WDEREUQCSA-N 1 0 370.312 4.940 20 0 FJADRO C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccc(Br)s1 ZINC000038002872 211342039 /nfs/dbraw/zinc/34/20/39/211342039.db2.gz WPCWPLXUCIFZKZ-GFCCVEGCSA-N 1 0 369.328 4.624 20 0 FJADRO O=C(CC[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(Cl)cc1F ZINC000022199330 211339371 /nfs/dbraw/zinc/33/93/71/211339371.db2.gz KWOYMOIBLRRYOI-OAHLLOKOSA-N 1 0 352.862 4.706 20 0 FJADRO Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1C(F)(F)F ZINC000071996742 221394493 /nfs/dbraw/zinc/39/44/93/221394493.db2.gz OMJGHRPMIYKJCX-UHFFFAOYSA-N 1 0 359.351 4.511 20 0 FJADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)c(C)c2)CC1 ZINC000026909355 136153434 /nfs/dbraw/zinc/15/34/34/136153434.db2.gz WVAPLLHCNYJIEN-UHFFFAOYSA-N 1 0 365.521 4.513 20 0 FJADRO Fc1cccc(N2CCCC2)c1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000098078524 222226906 /nfs/dbraw/zinc/22/69/06/222226906.db2.gz UNFHUSFKAOOROV-UHFFFAOYSA-N 1 0 352.375 4.735 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1ccc(Cl)cc1 ZINC000107585058 222397964 /nfs/dbraw/zinc/39/79/64/222397964.db2.gz BIUIJDGUXDOQTO-QGZVFWFLSA-N 1 0 370.924 4.573 20 0 FJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2Cl)C1 ZINC000107727472 222399901 /nfs/dbraw/zinc/39/99/01/222399901.db2.gz FTBIYWYMXNBUFB-CALCHBBNSA-N 1 0 370.924 4.748 20 0 FJADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000107930152 222406543 /nfs/dbraw/zinc/40/65/43/222406543.db2.gz UVDVLZYKOASABE-ROUUACIJSA-N 1 0 368.443 4.980 20 0 FJADRO Fc1ccc(-c2ccc(C[NH2+]C[C@H]3CCN(c4ccc(F)cc4)C3)o2)cc1 ZINC000084419521 526313722 /nfs/dbraw/zinc/31/37/22/526313722.db2.gz NLEREQXTQDLIOX-MRXNPFEDSA-N 1 0 368.427 4.841 20 0 FJADRO COc1cc(C[NH2+]C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000060842129 567855350 /nfs/dbraw/zinc/85/53/50/567855350.db2.gz IUGLHBDVSROCCR-UHFFFAOYSA-N 1 0 361.441 4.572 20 0 FJADRO C[NH+]1CCC(N(C(=O)CCCCCc2cccs2)c2ccccc2)CC1 ZINC000601961699 567887617 /nfs/dbraw/zinc/88/76/17/567887617.db2.gz HGGRLVOQEPYJGS-UHFFFAOYSA-N 1 0 370.562 4.978 20 0 FJADRO C[NH+]1CCC(N(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)c2ccccc2)CC1 ZINC000601963939 567888491 /nfs/dbraw/zinc/88/84/91/567888491.db2.gz YKDFLTFIPRQBSO-PMACEKPBSA-N 1 0 368.908 4.571 20 0 FJADRO C[NH+]1CCC(N(C(=O)c2csc3ccccc23)c2ccccc2)CC1 ZINC000601968961 567890132 /nfs/dbraw/zinc/89/01/32/567890132.db2.gz VGLWMVJFKYBMGP-UHFFFAOYSA-N 1 0 350.487 4.642 20 0 FJADRO CC[NH+](CC)Cc1ccc(N[C@H](C)CC(=O)Nc2cccc(C)c2)cc1 ZINC000527303395 567921451 /nfs/dbraw/zinc/92/14/51/567921451.db2.gz IVVYFZKTTSVNAF-GOSISDBHSA-N 1 0 353.510 4.666 20 0 FJADRO CCc1ccc([C@H](CNC(=O)Nc2cccc(CSC)c2)[NH+](C)C)cc1 ZINC000609471090 567958879 /nfs/dbraw/zinc/95/88/79/567958879.db2.gz KYNGTIRQQSFGBI-FQEVSTJZSA-N 1 0 371.550 4.536 20 0 FJADRO COC(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)c2sccc2C)s1 ZINC000521418757 567971422 /nfs/dbraw/zinc/97/14/22/567971422.db2.gz KDSXDSPWHIXHTE-KRWDZBQOSA-N 1 0 371.527 4.978 20 0 FJADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1Cl ZINC000602576750 567993177 /nfs/dbraw/zinc/99/31/77/567993177.db2.gz QFBXDZWVMJVYOU-LBPRGKRZSA-N 1 0 367.276 4.600 20 0 FJADRO C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1F ZINC000602578774 567993447 /nfs/dbraw/zinc/99/34/47/567993447.db2.gz JEHCOFDYMBCLED-QGZVFWFLSA-N 1 0 353.485 4.531 20 0 FJADRO C[C@@H]([NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc(F)ccc1F ZINC000602584078 567994110 /nfs/dbraw/zinc/99/41/10/567994110.db2.gz CSTSNBQHHBNVPO-KDOFPFPSSA-N 1 0 365.427 4.630 20 0 FJADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000602584128 567994173 /nfs/dbraw/zinc/99/41/73/567994173.db2.gz PAXMFJWMNWUKRZ-PGRDOPGGSA-N 1 0 357.501 4.612 20 0 FJADRO C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(F)cc1F ZINC000602584119 567994215 /nfs/dbraw/zinc/99/42/15/567994215.db2.gz NJWWVKKJEUZGIG-RDTXWAMCSA-N 1 0 365.427 4.630 20 0 FJADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000602570265 567996002 /nfs/dbraw/zinc/99/60/02/567996002.db2.gz SOPKELKTYMTZRJ-UONOGXRCSA-N 1 0 361.436 4.907 20 0 FJADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)cc1 ZINC000602570202 567996033 /nfs/dbraw/zinc/99/60/33/567996033.db2.gz ALTUOTXEXNJBTE-KGLIPLIRSA-N 1 0 361.436 4.907 20 0 FJADRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000602576662 567996772 /nfs/dbraw/zinc/99/67/72/567996772.db2.gz DMONGGWORXCVMH-NSHDSACASA-N 1 0 355.240 4.730 20 0 FJADRO Cc1cccc(C)c1OCCCN1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000602877224 568010427 /nfs/dbraw/zinc/01/04/27/568010427.db2.gz KPFWRXUULAMZTB-GOSISDBHSA-N 1 0 355.482 4.560 20 0 FJADRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)C1CCC(C)CC1 ZINC000602912006 568011429 /nfs/dbraw/zinc/01/14/29/568011429.db2.gz WXKIUMMWPDNCHR-NZBFNNPHSA-N 1 0 350.506 4.751 20 0 FJADRO Cc1ccccc1[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)C1CCC(C)CC1 ZINC000602911973 568011488 /nfs/dbraw/zinc/01/14/88/568011488.db2.gz SJYCIXZERJRCRU-NZBFNNPHSA-N 1 0 350.506 4.751 20 0 FJADRO CSC1CC[NH+]([C@@H](C)c2nnc(-c3ccc4ccccc4c3)o2)CC1 ZINC000602919637 568012938 /nfs/dbraw/zinc/01/29/38/568012938.db2.gz JALLXXJXVDLXIL-AWEZNQCLSA-N 1 0 353.491 4.778 20 0 FJADRO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c(C)s1 ZINC000602699457 568016997 /nfs/dbraw/zinc/01/69/97/568016997.db2.gz VFTHKRJBNHGOQU-UHFFFAOYSA-N 1 0 356.535 4.671 20 0 FJADRO COc1cc(C[NH2+][C@H](c2ccc(C)cc2)C2CCC2)cc(OC)c1OC ZINC000186945678 568020862 /nfs/dbraw/zinc/02/08/62/568020862.db2.gz SZXPAKNRDXWXHJ-NRFANRHFSA-N 1 0 355.478 4.652 20 0 FJADRO C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000602753099 568030524 /nfs/dbraw/zinc/03/05/24/568030524.db2.gz HOKADSPATHWKBC-GHTZIAJQSA-N 1 0 358.526 4.596 20 0 FJADRO OC1(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CCCCCC1 ZINC000522755293 568033161 /nfs/dbraw/zinc/03/31/61/568033161.db2.gz DNXFBTKZIOVROS-UHFFFAOYSA-N 1 0 350.915 4.638 20 0 FJADRO Cc1ccc([C@H]([NH2+]Cc2ccccc2CN2CCCC2=O)C2CCC2)cc1 ZINC000186987990 568038103 /nfs/dbraw/zinc/03/81/03/568038103.db2.gz DGVVVZFKEIKJNU-XMMPIXPASA-N 1 0 362.517 4.748 20 0 FJADRO COc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)c(OC)c1OC ZINC000187026345 568049612 /nfs/dbraw/zinc/04/96/12/568049612.db2.gz BOIHQURCZLIZPB-HXUWFJFHSA-N 1 0 355.478 4.652 20 0 FJADRO O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150829242 568060481 /nfs/dbraw/zinc/06/04/81/568060481.db2.gz DRYBWMSKMYGYQM-FQEVSTJZSA-N 1 0 364.489 4.569 20 0 FJADRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000128617451 568083981 /nfs/dbraw/zinc/08/39/81/568083981.db2.gz ZOCAWOQULLVPIP-MRXNPFEDSA-N 1 0 355.869 4.843 20 0 FJADRO Cc1cccc(Nc2ccccc2C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1C ZINC000603319931 568085560 /nfs/dbraw/zinc/08/55/60/568085560.db2.gz MCZVHIWCVYEYDQ-GOSISDBHSA-N 1 0 365.521 4.507 20 0 FJADRO CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1cc[nH+]c2cc(F)ccc21 ZINC000603493688 568107901 /nfs/dbraw/zinc/10/79/01/568107901.db2.gz BLHKNSJVCYIRQW-VGSWGCGISA-N 1 0 350.437 4.978 20 0 FJADRO c1c(C[NH2+]CC2CCSCC2)c2ccccc2n1Cc1ccccc1 ZINC000603515105 568111424 /nfs/dbraw/zinc/11/14/24/568111424.db2.gz JQHLJXHUOAIGRP-UHFFFAOYSA-N 1 0 350.531 4.922 20 0 FJADRO CCOc1cc(C[NH2+]C[C@H]2OCCc3ccccc32)ccc1OCC(C)C ZINC000603516253 568111659 /nfs/dbraw/zinc/11/16/59/568111659.db2.gz RYMAKRKEVUWPFY-HSZRJFAPSA-N 1 0 369.505 4.524 20 0 FJADRO CCC[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000603516567 568111694 /nfs/dbraw/zinc/11/16/94/568111694.db2.gz IKANHSFHKYRXLM-SFHVURJKSA-N 1 0 365.304 4.652 20 0 FJADRO CC(C)(C)n1cc(C[NH2+][C@@H]2CCOc3c(-c4ccccc4)cccc32)cn1 ZINC000603518266 568112056 /nfs/dbraw/zinc/11/20/56/568112056.db2.gz DMKRRWJBSWMQBX-OAQYLSRUSA-N 1 0 361.489 4.919 20 0 FJADRO COc1cc(C[N@H+](C)CCSc2ccccc2)ccc1OC(F)F ZINC000522775626 568131567 /nfs/dbraw/zinc/13/15/67/568131567.db2.gz MONHNUHRTRUQHN-UHFFFAOYSA-N 1 0 353.434 4.521 20 0 FJADRO O=[S@](CC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000522775844 568131967 /nfs/dbraw/zinc/13/19/67/568131967.db2.gz CPZNOJODNJYUNH-IQMFZBJNSA-N 1 0 368.329 4.591 20 0 FJADRO O=[S@@](CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000522775846 568131975 /nfs/dbraw/zinc/13/19/75/568131975.db2.gz CPZNOJODNJYUNH-WNSKOXEYSA-N 1 0 368.329 4.591 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000603668491 568132810 /nfs/dbraw/zinc/13/28/10/568132810.db2.gz XINLAFFFCXNSCR-SFHVURJKSA-N 1 0 374.550 4.536 20 0 FJADRO Cc1cccc(C2(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)CCC2)c1 ZINC000603686316 568135554 /nfs/dbraw/zinc/13/55/54/568135554.db2.gz XMSDCBZGPJMKNP-LEWJYISDSA-N 1 0 368.565 4.530 20 0 FJADRO Cc1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)c(C[NH+](C)C)c1 ZINC000603694895 568136691 /nfs/dbraw/zinc/13/66/91/568136691.db2.gz BXSNKAZRTYSTAH-UHFFFAOYSA-N 1 0 354.494 4.506 20 0 FJADRO COc1ccc(CCCCCC(=O)Nc2ccc(C)cc2C[NH+](C)C)cc1 ZINC000603694522 568136752 /nfs/dbraw/zinc/13/67/52/568136752.db2.gz BUZPXCVDMPWGCB-UHFFFAOYSA-N 1 0 368.521 4.807 20 0 FJADRO Cc1ccc(NC(=O)Cc2cc(Cl)ccc2Cl)c(C[NH+](C)C)c1 ZINC000603695194 568136777 /nfs/dbraw/zinc/13/67/77/568136777.db2.gz PKENFPXXWRRDMH-UHFFFAOYSA-N 1 0 351.277 4.545 20 0 FJADRO Cc1ccc(Sc2ncccc2C(=O)Nc2ccc3nccn3c2)c(C)c1 ZINC000603785434 568139580 /nfs/dbraw/zinc/13/95/80/568139580.db2.gz OAFWVKJZPNHWQV-UHFFFAOYSA-N 1 0 374.469 4.750 20 0 FJADRO Cc1cn2c(C[NH2+]CCCO[C@@H]3CCCc4ccccc43)c(C)nc2s1 ZINC000603723606 568142151 /nfs/dbraw/zinc/14/21/51/568142151.db2.gz LPZGGEFSCYMHGI-HXUWFJFHSA-N 1 0 369.534 4.587 20 0 FJADRO C[C@H](NCc1ccc(Br)cn1)c1nc(-c2ccccc2)cs1 ZINC000603723964 568142419 /nfs/dbraw/zinc/14/24/19/568142419.db2.gz QQIJAFNXPIYWPB-LBPRGKRZSA-N 1 0 374.307 4.818 20 0 FJADRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1nc2ccsc2s1)c1ccccc1 ZINC000522780564 568157240 /nfs/dbraw/zinc/15/72/40/568157240.db2.gz OUMYADQTVXTISZ-LBPRGKRZSA-N 1 0 374.535 4.609 20 0 FJADRO CC1CC[NH+](Cc2ccc(NC(=O)CNc3cccc(Cl)c3)cc2)CC1 ZINC000603859297 568169820 /nfs/dbraw/zinc/16/98/20/568169820.db2.gz SIQNQCFABFOUEH-UHFFFAOYSA-N 1 0 371.912 4.623 20 0 FJADRO CC[C@H](CC1CCCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000603863124 568172083 /nfs/dbraw/zinc/17/20/83/568172083.db2.gz RFTABFOIVLBJIE-FCHUYYIVSA-N 1 0 356.554 4.621 20 0 FJADRO COC(=O)c1cc(C[NH+]2CCC(c3c(C)[nH]c4ccccc43)CC2)oc1C ZINC000603869730 568173695 /nfs/dbraw/zinc/17/36/95/568173695.db2.gz DWYAIHJYIUVYBW-UHFFFAOYSA-N 1 0 366.461 4.544 20 0 FJADRO COC(=O)c1ccc([C@H](C)[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000603880851 568176250 /nfs/dbraw/zinc/17/62/50/568176250.db2.gz JNRYIIGHDQLGTP-ZDUSSCGKSA-N 1 0 368.408 4.537 20 0 FJADRO Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2cc[nH]n2)cc1C ZINC000603933953 568183007 /nfs/dbraw/zinc/18/30/07/568183007.db2.gz YDLUTMZFSJXPDJ-UHFFFAOYSA-N 1 0 371.488 4.511 20 0 FJADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000522786010 568193003 /nfs/dbraw/zinc/19/30/03/568193003.db2.gz QBXGHKGZPMSXHJ-UHFFFAOYSA-N 1 0 374.529 4.783 20 0 FJADRO CC[C@H]1c2ccsc2CCN1Cc1coc(-c2ccc(OC)cc2)n1 ZINC000636914737 568193210 /nfs/dbraw/zinc/19/32/10/568193210.db2.gz NETGBSVGFPJMIW-SFHVURJKSA-N 1 0 354.475 4.921 20 0 FJADRO CCN(C(C)=O)c1nc(CN2CCCCC[C@H]2c2cccc(C)c2)cs1 ZINC000522787564 568194864 /nfs/dbraw/zinc/19/48/64/568194864.db2.gz MOEVFUWLGDATJV-FQEVSTJZSA-N 1 0 371.550 4.942 20 0 FJADRO CC(C)(C[NH2+]Cc1ccc(OCc2ccncc2)cc1)Oc1ccccc1 ZINC000604072373 568210506 /nfs/dbraw/zinc/21/05/06/568210506.db2.gz PKBGYNJOYCBSBL-UHFFFAOYSA-N 1 0 362.473 4.608 20 0 FJADRO CC(=O)N(c1nc(C[NH2+][C@@H]2CCC[C@H](F)C2)cs1)c1ccc(C)cc1 ZINC000563121720 568222695 /nfs/dbraw/zinc/22/26/95/568222695.db2.gz CQMISOYZIAHJKJ-JKSUJKDBSA-N 1 0 361.486 4.506 20 0 FJADRO CCSCc1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000604187904 568223026 /nfs/dbraw/zinc/22/30/26/568223026.db2.gz OGIYQZMQLBMVJW-UHFFFAOYSA-N 1 0 374.594 4.668 20 0 FJADRO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000122278157 568225058 /nfs/dbraw/zinc/22/50/58/568225058.db2.gz DSWMTJSPAIOACK-CHWSQXEVSA-N 1 0 371.424 4.521 20 0 FJADRO C[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c2ccccc21 ZINC000604205070 568228305 /nfs/dbraw/zinc/22/83/05/568228305.db2.gz JJJNAATVYZUEIV-NQIIRXRSSA-N 1 0 363.505 4.547 20 0 FJADRO CC[NH+](CC)CC1CCN(C(=O)[C@H](CC2CCCCC2)C(C)C)CC1 ZINC000604320887 568246899 /nfs/dbraw/zinc/24/68/99/568246899.db2.gz FOMMTNJVOCTNQV-OAQYLSRUSA-N 1 0 350.591 4.809 20 0 FJADRO CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000303171396 568255378 /nfs/dbraw/zinc/25/53/78/568255378.db2.gz RGNCKNYSUWKNJJ-DYESRHJHSA-N 1 0 356.485 4.519 20 0 FJADRO Clc1cccc(-c2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000303316672 568263093 /nfs/dbraw/zinc/26/30/93/568263093.db2.gz ADXGQSBMJKUHQH-QGZVFWFLSA-N 1 0 353.853 4.770 20 0 FJADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000604346736 568264392 /nfs/dbraw/zinc/26/43/92/568264392.db2.gz MNHNIYQORITMSO-INIZCTEOSA-N 1 0 372.896 4.546 20 0 FJADRO COc1ccc(C(C)(C)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc1OC ZINC000303337589 568266589 /nfs/dbraw/zinc/26/65/89/568266589.db2.gz OMLQUMUWBRAHRW-UHFFFAOYSA-N 1 0 367.411 4.790 20 0 FJADRO Cc1ccc(-c2ncc(C[NH2+]C[C@@H](C)N(C)Cc3ccccc3)s2)cc1 ZINC000604416562 568274716 /nfs/dbraw/zinc/27/47/16/568274716.db2.gz HUCHDGKUXANATL-GOSISDBHSA-N 1 0 365.546 4.729 20 0 FJADRO COc1cc(C[NH2+][C@@H](c2ccccc2Cl)C(C)C)cc2c1OCCO2 ZINC000604417030 568275174 /nfs/dbraw/zinc/27/51/74/568275174.db2.gz ZFBNKNAIPDZDTK-LJQANCHMSA-N 1 0 361.869 4.607 20 0 FJADRO Cc1cccnc1[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C(C)C ZINC000604417159 568275266 /nfs/dbraw/zinc/27/52/66/568275266.db2.gz JIROQNCMPMMMLS-JOCHJYFZSA-N 1 0 361.489 4.851 20 0 FJADRO CSc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)CCC2 ZINC000563136264 568275386 /nfs/dbraw/zinc/27/53/86/568275386.db2.gz QVIWYKHDHOIOSR-KVGGTASHSA-N 1 0 359.560 4.874 20 0 FJADRO Cc1nc(C[NH2+]CCCCSc2ccccc2Br)cs1 ZINC000604417802 568275731 /nfs/dbraw/zinc/27/57/31/568275731.db2.gz XTOFGOJVGVWZFB-UHFFFAOYSA-N 1 0 371.369 4.876 20 0 FJADRO CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)[C@@H](C)C1 ZINC000604417991 568276047 /nfs/dbraw/zinc/27/60/47/568276047.db2.gz BAWJANUUTXKLLF-GBXCKJPGSA-N 1 0 366.549 4.580 20 0 FJADRO Cc1cccc([C@H](C)[NH2+]Cc2cc3c(c(Br)c2)OCO3)c1C ZINC000604418093 568276220 /nfs/dbraw/zinc/27/62/20/568276220.db2.gz GSWYOPWZJAVQGU-ZDUSSCGKSA-N 1 0 362.267 4.645 20 0 FJADRO Cc1cccc([C@@H](C)[NH2+]Cc2cc3c(c(Br)c2)OCO3)c1C ZINC000604418092 568276238 /nfs/dbraw/zinc/27/62/38/568276238.db2.gz GSWYOPWZJAVQGU-CYBMUJFWSA-N 1 0 362.267 4.645 20 0 FJADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)c2cccc(C)c2C)cc1 ZINC000604426100 568283892 /nfs/dbraw/zinc/28/38/92/568283892.db2.gz BMVXHHBFDYYZRH-LJQANCHMSA-N 1 0 367.537 4.706 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000604478414 568299910 /nfs/dbraw/zinc/29/99/10/568299910.db2.gz GERWFSFBQYIUOW-UHFFFAOYSA-N 1 0 374.550 4.632 20 0 FJADRO Cc1cccc(CN(Cc2csc(CC(=O)OC(C)C)n2)CC(C)C)c1 ZINC000604493099 568303790 /nfs/dbraw/zinc/30/37/90/568303790.db2.gz BUPIYQDXEHZQQX-UHFFFAOYSA-N 1 0 374.550 4.604 20 0 FJADRO C[C@H](OC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000604608380 568326219 /nfs/dbraw/zinc/32/62/19/568326219.db2.gz RCWIAWXPSWOIKB-XBDGOBDMSA-N 1 0 373.924 4.657 20 0 FJADRO C[C@@H]1CCC[C@@H](CCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000604667012 568344364 /nfs/dbraw/zinc/34/43/64/568344364.db2.gz JIRKCUHFNIZKOB-UXHICEINSA-N 1 0 371.569 4.509 20 0 FJADRO C[NH+](C)CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000604726584 568353367 /nfs/dbraw/zinc/35/33/67/568353367.db2.gz HAXXUIZTGGTHSA-UXLLHSPISA-N 1 0 371.352 4.580 20 0 FJADRO C[C@H](CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000604727019 568354251 /nfs/dbraw/zinc/35/42/51/568354251.db2.gz PPLDBYSCIRDMRK-PBHICJAKSA-N 1 0 372.475 4.682 20 0 FJADRO CC[C@H](CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000604713767 568355200 /nfs/dbraw/zinc/35/52/00/568355200.db2.gz HUYZMIHTGCTXDY-WOJBJXKFSA-N 1 0 364.533 4.912 20 0 FJADRO CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000604716787 568355796 /nfs/dbraw/zinc/35/57/96/568355796.db2.gz POBOIQIOYQEQKO-HXUWFJFHSA-N 1 0 374.594 4.524 20 0 FJADRO C[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1c(Cl)cccc1Cl ZINC000604727641 568357015 /nfs/dbraw/zinc/35/70/15/568357015.db2.gz HLDOCGHPVYDCPW-IUODEOHRSA-N 1 0 359.341 4.580 20 0 FJADRO Cc1ccc2c(Cl)c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)sc2c1 ZINC000604728003 568357078 /nfs/dbraw/zinc/35/70/78/568357078.db2.gz MOBVPZGYAHYIFM-HNNXBMFYSA-N 1 0 366.958 4.959 20 0 FJADRO CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000604736249 568358797 /nfs/dbraw/zinc/35/87/97/568358797.db2.gz SGALJVGXJIPTOK-KRWDZBQOSA-N 1 0 362.901 4.526 20 0 FJADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1csc2ccccc12)C(F)(F)F ZINC000604764908 568361696 /nfs/dbraw/zinc/36/16/96/568361696.db2.gz CAEPKYLDABHXEE-SJLPKXTDSA-N 1 0 365.420 4.525 20 0 FJADRO COc1ccc(C2([NH2+]Cc3cc(OC)cc4c3O[C@H](C)C4)CCCC2)cc1 ZINC000604765563 568361863 /nfs/dbraw/zinc/36/18/63/568361863.db2.gz SZGNFKMJHLZGJS-MRXNPFEDSA-N 1 0 367.489 4.586 20 0 FJADRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000604767851 568362422 /nfs/dbraw/zinc/36/24/22/568362422.db2.gz DJJUDXRVUAPZLE-YWZLYKJASA-N 1 0 355.865 4.854 20 0 FJADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000604767842 568362438 /nfs/dbraw/zinc/36/24/38/568362438.db2.gz DJJUDXRVUAPZLE-FOIQADDNSA-N 1 0 355.865 4.854 20 0 FJADRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000604769761 568362802 /nfs/dbraw/zinc/36/28/02/568362802.db2.gz NFUBICOCIRVYIE-WMZOPIPTSA-N 1 0 374.525 4.727 20 0 FJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccccc2OCC2CC2)CC1 ZINC000604770018 568362914 /nfs/dbraw/zinc/36/29/14/568362914.db2.gz SBKHLUZQYDPBPM-IBGZPJMESA-N 1 0 364.533 4.791 20 0 FJADRO Cc1ccccc1-c1cccc(C[NH2+][C@H]2CCC[C@@H](C(=O)NC(C)C)C2)c1 ZINC000604772248 568363422 /nfs/dbraw/zinc/36/34/22/568363422.db2.gz NNTDDHZAJWMOFM-YADHBBJMSA-N 1 0 364.533 4.835 20 0 FJADRO Fc1cccc(N2CCC[C@H]([NH2+]Cc3nc(-c4ccccc4)cs3)C2)c1 ZINC000604772779 568363503 /nfs/dbraw/zinc/36/35/03/568363503.db2.gz XBOLEQNXAILMMN-SFHVURJKSA-N 1 0 367.493 4.708 20 0 FJADRO Cc1sc2ncnc(NC3CC[NH+]([C@H](C)c4ccccc4)CC3)c2c1C ZINC000604757461 568365269 /nfs/dbraw/zinc/36/52/69/568365269.db2.gz FNMZFROEJRQDQC-OAHLLOKOSA-N 1 0 366.534 4.946 20 0 FJADRO CCc1cc2c(ncnc2NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)s1 ZINC000604757542 568365351 /nfs/dbraw/zinc/36/53/51/568365351.db2.gz IYMNVIOVWQWLDO-HNNXBMFYSA-N 1 0 366.534 4.891 20 0 FJADRO CC(C)C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccs1 ZINC000604787750 568366889 /nfs/dbraw/zinc/36/68/89/568366889.db2.gz FGHQHRVVCIOWHX-WBVHZDCISA-N 1 0 353.576 4.501 20 0 FJADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604787824 568366892 /nfs/dbraw/zinc/36/68/92/568366892.db2.gz HOOGGZQWURZBAT-INIZCTEOSA-N 1 0 374.356 4.501 20 0 FJADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000604787825 568366927 /nfs/dbraw/zinc/36/69/27/568366927.db2.gz HOOGGZQWURZBAT-MRXNPFEDSA-N 1 0 374.356 4.501 20 0 FJADRO C[NH+](C)CC[C@H](NC(=O)N1CCC[C@H]1c1cccc(Cl)c1)C(C)(C)C ZINC000604789132 568367196 /nfs/dbraw/zinc/36/71/96/568367196.db2.gz ZDUSTJWYMLSDHP-ROUUACIJSA-N 1 0 365.949 4.553 20 0 FJADRO CC(C)[C@H]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000604827715 568376724 /nfs/dbraw/zinc/37/67/24/568376724.db2.gz XUXAGZRBKKAHOW-PMACEKPBSA-N 1 0 371.569 4.680 20 0 FJADRO CC[NH+](CC)CCC[C@H](C)NC(=O)C1(Sc2ccccc2)CCCC1 ZINC000604863069 568379687 /nfs/dbraw/zinc/37/96/87/568379687.db2.gz UKVHYNYKMVECRK-SFHVURJKSA-N 1 0 362.583 4.718 20 0 FJADRO Cc1ccc(OC2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000604885551 568380753 /nfs/dbraw/zinc/38/07/53/568380753.db2.gz PVOFBNZZFIYOLX-UHFFFAOYSA-N 1 0 366.436 4.833 20 0 FJADRO Cc1ccc(CCCC(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cc1 ZINC000604874345 568382720 /nfs/dbraw/zinc/38/27/20/568382720.db2.gz JNOUOIWHPDHTTJ-UHFFFAOYSA-N 1 0 374.912 4.550 20 0 FJADRO CCc1cccc2c(C3CC[NH+](Cc4ccn(C(C)C)n4)CC3)c[nH]c21 ZINC000604884359 568384544 /nfs/dbraw/zinc/38/45/44/568384544.db2.gz LLMHJWVLWAFQAY-UHFFFAOYSA-N 1 0 350.510 4.887 20 0 FJADRO Cc1nnc([C@H]2CC23CCN(Cc2csc(Cl)c2Cl)CC3)o1 ZINC000365269305 568391283 /nfs/dbraw/zinc/39/12/83/568391283.db2.gz RWWWWJUAHLPFDN-LLVKDONJSA-N 1 0 358.294 4.516 20 0 FJADRO COc1cc(NC(=O)CC[C@H]([NH3+])c2ccccc2)c(C2CC2)cc1Cl ZINC000655531561 568391507 /nfs/dbraw/zinc/39/15/07/568391507.db2.gz VKQOCIBADDSARF-KRWDZBQOSA-N 1 0 358.869 4.645 20 0 FJADRO COc1ccc(-c2cc(C[N@@H+]3CCC[C@H](CC(F)(F)F)C3)on2)cc1 ZINC000643253833 568401293 /nfs/dbraw/zinc/40/12/93/568401293.db2.gz BJYMGJPBXHSJDQ-CYBMUJFWSA-N 1 0 354.372 4.515 20 0 FJADRO O[C@@H](C[NH2+][C@@H](CC(F)F)c1ccccc1)COc1ccc2ccccc2c1 ZINC000643255726 568406694 /nfs/dbraw/zinc/40/66/94/568406694.db2.gz REJXYTZQWXTUDQ-FPOVZHCZSA-N 1 0 371.427 4.566 20 0 FJADRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000319743193 568414205 /nfs/dbraw/zinc/41/42/05/568414205.db2.gz RCDFUQDIIIBLJL-APPDUMDISA-N 1 0 364.258 4.935 20 0 FJADRO CC[NH+](CC)[C@H](CNC(=O)c1oc2c(cccc2F)c1C)c1ccsc1 ZINC000031992848 568416020 /nfs/dbraw/zinc/41/60/20/568416020.db2.gz BRWRXXDSUFYGSO-QGZVFWFLSA-N 1 0 374.481 4.755 20 0 FJADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000007375358 568503520 /nfs/dbraw/zinc/50/35/20/568503520.db2.gz IFZFVNFMCWKCJM-CXAGYDPISA-N 1 0 361.283 4.517 20 0 FJADRO Cc1cc([C@@H]2CCC[N@@H+]2CC/C=C/c2ccc(Br)cc2)on1 ZINC000604997227 568507878 /nfs/dbraw/zinc/50/78/78/568507878.db2.gz BCZLTYJFYSFWDJ-RTZWDOBSSA-N 1 0 361.283 4.986 20 0 FJADRO Clc1ccc([C@@H]2CCCCCN2Cc2nc(-c3ccccn3)no2)cc1 ZINC000605000527 568513955 /nfs/dbraw/zinc/51/39/55/568513955.db2.gz YJQOSDVVBBKVPG-SFHVURJKSA-N 1 0 368.868 4.902 20 0 FJADRO Brc1ccc(CC[NH2+]Cc2csc(-c3ccccc3)n2)cc1 ZINC000605008595 568515933 /nfs/dbraw/zinc/51/59/33/568515933.db2.gz IGJDHUSJCFPERX-UHFFFAOYSA-N 1 0 373.319 4.905 20 0 FJADRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3csc4ccccc34)C2)c1 ZINC000605008900 568516058 /nfs/dbraw/zinc/51/60/58/568516058.db2.gz BYUMNDRRSPADCQ-QGZVFWFLSA-N 1 0 352.503 4.669 20 0 FJADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc2cc(F)ccc2o1 ZINC000605086792 568566672 /nfs/dbraw/zinc/56/66/72/568566672.db2.gz CNIVHFVPQSFKQY-UHFFFAOYSA-N 1 0 366.436 4.853 20 0 FJADRO CN1CCC[C@@H](C[NH2+]Cc2cccs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165707 568594046 /nfs/dbraw/zinc/59/40/46/568594046.db2.gz RCUGFBYEODUPDX-MAUKXSAKSA-N 1 0 368.468 4.940 20 0 FJADRO C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1Cl ZINC000605167919 568595815 /nfs/dbraw/zinc/59/58/15/568595815.db2.gz JKWYHDHCMLWSQS-GFCCVEGCSA-N 1 0 366.292 4.938 20 0 FJADRO CSc1ccccc1NC(=O)CC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605153822 568597616 /nfs/dbraw/zinc/59/76/16/568597616.db2.gz CJLZJEDQADSCFM-IBGZPJMESA-N 1 0 372.559 4.527 20 0 FJADRO FC(F)(F)COc1cccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000605155274 568600018 /nfs/dbraw/zinc/60/00/18/568600018.db2.gz MUYXIJYGCJYVGQ-GOSISDBHSA-N 1 0 367.436 4.918 20 0 FJADRO Cc1nc2scc(CC(C)C)c2c(N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000606156412 568676448 /nfs/dbraw/zinc/67/64/48/568676448.db2.gz LRTJDCAMTYMPMN-SFHVURJKSA-N 1 0 372.582 4.653 20 0 FJADRO O=C(CC/C=C\c1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000606164534 568682770 /nfs/dbraw/zinc/68/27/70/568682770.db2.gz MGHGWISSAAHRIA-ACAGNQJTSA-N 1 0 362.517 4.782 20 0 FJADRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cccs1 ZINC000606177581 568692836 /nfs/dbraw/zinc/69/28/36/568692836.db2.gz UCTYAJHDEZIVDM-DLBZAZTESA-N 1 0 356.535 4.542 20 0 FJADRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cccs1 ZINC000606177582 568692922 /nfs/dbraw/zinc/69/29/22/568692922.db2.gz UCTYAJHDEZIVDM-IAGOWNOFSA-N 1 0 356.535 4.542 20 0 FJADRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000606173128 568705311 /nfs/dbraw/zinc/70/53/11/568705311.db2.gz OOEVTOIHACXQDS-CQSZACIVSA-N 1 0 364.411 4.584 20 0 FJADRO CCCN(C(=O)[C@@H](C)c1cccs1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000606189027 568710084 /nfs/dbraw/zinc/71/00/84/568710084.db2.gz YEEVPFXUHLXUQP-ICSRJNTNSA-N 1 0 370.562 4.755 20 0 FJADRO c1ccc2c(c1)CCCC21CCN(c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001164387308 718814041 /nfs/dbraw/zinc/81/40/41/718814041.db2.gz FKALDGANNSFNCS-UHFFFAOYSA-N 1 0 361.533 4.552 20 0 FJADRO CC(C)(c1ccnc(Cl)c1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164625036 719113034 /nfs/dbraw/zinc/11/30/34/719113034.db2.gz GCWMEODYDLMPPT-QUCCMNQESA-N 1 0 369.940 4.567 20 0 FJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3ccccc3n1)CC2 ZINC001164793558 721489719 /nfs/dbraw/zinc/48/97/19/721489719.db2.gz SOYMQFSPTXRHPP-UHFFFAOYSA-N 1 0 372.516 4.511 20 0 FJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3ccccc31)CC2 ZINC001164792194 721491256 /nfs/dbraw/zinc/49/12/56/721491256.db2.gz HZVDYSKJZVCQFD-UHFFFAOYSA-N 1 0 372.516 4.511 20 0 FJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164794871 721507785 /nfs/dbraw/zinc/50/77/85/721507785.db2.gz FBBTXZZLLRNZGN-LAUBAEHRSA-N 1 0 371.912 4.546 20 0 FJADRO Cc1nc2c3ccccc3oc2c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165049044 721972668 /nfs/dbraw/zinc/97/26/68/721972668.db2.gz LUFKFCFBRVKHAE-KRWDZBQOSA-N 1 0 364.493 4.529 20 0 FJADRO CC[NH+](CC)C1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC001165053488 722002253 /nfs/dbraw/zinc/00/22/53/722002253.db2.gz NSXHTVTVGOUBCW-UHFFFAOYSA-N 1 0 360.505 4.607 20 0 FJADRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2cccc(C)c2)CC1 ZINC001165053646 722007514 /nfs/dbraw/zinc/00/75/14/722007514.db2.gz BXULRLKUIKWQTD-UHFFFAOYSA-N 1 0 374.916 4.541 20 0 FJADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(CSC)cc1 ZINC000042699061 205096591 /nfs/dbraw/zinc/09/65/91/205096591.db2.gz FYZCAQCQCMQOQY-UHFFFAOYSA-N 1 0 372.534 4.523 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000107942569 206026328 /nfs/dbraw/zinc/02/63/28/206026328.db2.gz JJENKOWUVOFINZ-SFHVURJKSA-N 1 0 364.411 4.562 20 0 FJADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc2cc(Cl)ccc2o1 ZINC000023740755 211395288 /nfs/dbraw/zinc/39/52/88/211395288.db2.gz HUGBTNWOXGVRGM-GOSISDBHSA-N 1 0 368.864 4.653 20 0 FJADRO CC[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(OC)c(OC)c1 ZINC000038018465 211354633 /nfs/dbraw/zinc/35/46/33/211354633.db2.gz JPBKHDNJKIKRTA-CYBMUJFWSA-N 1 0 370.312 4.769 20 0 FJADRO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038002081 211343553 /nfs/dbraw/zinc/34/35/53/211343553.db2.gz UIPZADSPCLXOKE-NSHDSACASA-N 1 0 364.312 4.520 20 0 FJADRO O=C(CC[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1Cl ZINC000022194260 211340962 /nfs/dbraw/zinc/34/09/62/211340962.db2.gz XFBLWWYGVKPLIZ-UHFFFAOYSA-N 1 0 356.897 4.623 20 0 FJADRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000014778513 211102682 /nfs/dbraw/zinc/10/26/82/211102682.db2.gz XWSNBAQVJKJMJF-SFHVURJKSA-N 1 0 352.812 4.544 20 0 FJADRO Cc1ccc(NC(=O)CN[C@@H](c2ccccc2)c2ccc(F)cc2)c(C)c1 ZINC000071982693 221394444 /nfs/dbraw/zinc/39/44/44/221394444.db2.gz OODCEJCIBKLXNH-QHCPKHFHSA-N 1 0 362.448 4.760 20 0 FJADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)C1 ZINC000107590824 222397651 /nfs/dbraw/zinc/39/76/51/222397651.db2.gz OFYVEOKMDBCJHA-AWEZNQCLSA-N 1 0 360.860 4.963 20 0 FJADRO Cc1c2ccccc2oc1[C@H](NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)C(C)C ZINC000601904141 567871030 /nfs/dbraw/zinc/87/10/30/567871030.db2.gz ISNVCAMAWJDYGR-FXAWDEMLSA-N 1 0 371.525 4.610 20 0 FJADRO Clc1ccc([C@H]2CCCN2Cc2csc(-c3ncccn3)n2)cc1 ZINC000051423281 567885356 /nfs/dbraw/zinc/88/53/56/567885356.db2.gz YFRYMZCNLQACMA-MRXNPFEDSA-N 1 0 356.882 4.591 20 0 FJADRO C[NH+]1CCC(N(C(=O)c2cc3sccc3s2)c2ccccc2)CC1 ZINC000601958219 567886291 /nfs/dbraw/zinc/88/62/91/567886291.db2.gz SOGVPHMQZKJWDO-UHFFFAOYSA-N 1 0 356.516 4.704 20 0 FJADRO C[NH+]1CCC(N(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c2ccccc2)CC1 ZINC000601959407 567886548 /nfs/dbraw/zinc/88/65/48/567886548.db2.gz ZXZYSKDRBVRPJR-RTWAWAEBSA-N 1 0 368.908 4.571 20 0 FJADRO CCCCc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000601961393 567887328 /nfs/dbraw/zinc/88/73/28/567887328.db2.gz YYDQEFYVCVEIPV-UHFFFAOYSA-N 1 0 350.506 4.770 20 0 FJADRO C[NH+]1CCC(N(C(=O)CSc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000601963881 567888505 /nfs/dbraw/zinc/88/85/05/567888505.db2.gz XNAVIFBEWLPHGV-UHFFFAOYSA-N 1 0 374.937 4.560 20 0 FJADRO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccc(Cl)cc1 ZINC000014930147 567908578 /nfs/dbraw/zinc/90/85/78/567908578.db2.gz ZAHVKJGPLLVSIE-LBPRGKRZSA-N 1 0 370.802 4.818 20 0 FJADRO CC[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000602093035 567932738 /nfs/dbraw/zinc/93/27/38/567932738.db2.gz GQBZHWHEIHNSFN-UYAOXDASSA-N 1 0 358.551 4.516 20 0 FJADRO CC1CC[NH+](C2CCC(NC(=O)c3cc(C4CC4)[nH]c3C3CC3)CC2)CC1 ZINC000626247104 567941585 /nfs/dbraw/zinc/94/15/85/567941585.db2.gz HGKSYHPIPPLBNP-UHFFFAOYSA-N 1 0 369.553 4.542 20 0 FJADRO C[C@H](c1ccc(Br)cc1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000602238744 567954828 /nfs/dbraw/zinc/95/48/28/567954828.db2.gz DCJVVJKARYNENJ-BEFAXECRSA-N 1 0 360.295 4.974 20 0 FJADRO CC(=O)N(c1nc(C[NH2+]C(C)(C)CC2CCCCCC2)cs1)C1CC1 ZINC000186610593 567958663 /nfs/dbraw/zinc/95/86/63/567958663.db2.gz APKCXURAFWYMIS-UHFFFAOYSA-N 1 0 363.571 4.887 20 0 FJADRO Cc1noc(C)c1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000063550132 567980849 /nfs/dbraw/zinc/98/08/49/567980849.db2.gz IPYRQXFFBMPIHG-UHFFFAOYSA-N 1 0 372.472 4.742 20 0 FJADRO Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000602445578 567981109 /nfs/dbraw/zinc/98/11/09/567981109.db2.gz DCKLCDWJYYRTOS-QFIPXVFZSA-N 1 0 373.585 4.844 20 0 FJADRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000602576810 567993160 /nfs/dbraw/zinc/99/31/60/567993160.db2.gz WMLNBOLHAAACGD-GFCCVEGCSA-N 1 0 370.802 4.957 20 0 FJADRO C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc(F)ccc1F ZINC000602584080 567994140 /nfs/dbraw/zinc/99/41/40/567994140.db2.gz CSTSNBQHHBNVPO-RDTXWAMCSA-N 1 0 365.427 4.630 20 0 FJADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000602584129 567994222 /nfs/dbraw/zinc/99/42/22/567994222.db2.gz PAXMFJWMNWUKRZ-XMSQKQJNSA-N 1 0 357.501 4.612 20 0 FJADRO Clc1ccc2sc(C3CC[NH+](CC4CCOCC4)CC3)nc2c1 ZINC000602853812 568001914 /nfs/dbraw/zinc/00/19/14/568001914.db2.gz NGGOCVAHUNILFQ-UHFFFAOYSA-N 1 0 350.915 4.556 20 0 FJADRO COc1cc(C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)cc(OC)c1OC ZINC000186945663 568020811 /nfs/dbraw/zinc/02/08/11/568020811.db2.gz SZXPAKNRDXWXHJ-OAQYLSRUSA-N 1 0 355.478 4.652 20 0 FJADRO CCC[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000461108920 568022053 /nfs/dbraw/zinc/02/20/53/568022053.db2.gz MHJRVYRZEOZARA-MSOLQXFVSA-N 1 0 360.325 4.602 20 0 FJADRO CC(F)(F)c1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000186972582 568031481 /nfs/dbraw/zinc/03/14/81/568031481.db2.gz UWIAGUJFDDIQLN-UHFFFAOYSA-N 1 0 373.447 4.584 20 0 FJADRO CC1(C)CN(Cc2cnn(Cc3ccccc3Cl)c2)[C@H]1c1cccnc1 ZINC000644835532 568034044 /nfs/dbraw/zinc/03/40/44/568034044.db2.gz URPILTIAPILPES-FQEVSTJZSA-N 1 0 366.896 4.563 20 0 FJADRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(Cn3ccnc3)c1)CCS2 ZINC000186987364 568037724 /nfs/dbraw/zinc/03/77/24/568037724.db2.gz SWAGTHGMRNFWGY-NRFANRHFSA-N 1 0 363.530 4.875 20 0 FJADRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc(Cn3ccnc3)cc1)CCS2 ZINC000186992057 568040007 /nfs/dbraw/zinc/04/00/07/568040007.db2.gz CMUWAHZMYZNRAY-OAQYLSRUSA-N 1 0 363.530 4.875 20 0 FJADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cccc(C(C)(F)F)c2)c1 ZINC000187005396 568042228 /nfs/dbraw/zinc/04/22/28/568042228.db2.gz LUYYBOCGFSTEPO-UHFFFAOYSA-N 1 0 361.436 4.572 20 0 FJADRO Cc1ccc([C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C2CCC2)cc1 ZINC000186998303 568047283 /nfs/dbraw/zinc/04/72/83/568047283.db2.gz YUNRHSCXRADDQC-DEOSSOPVSA-N 1 0 362.517 4.748 20 0 FJADRO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3nnc(-c4ccc(C)cc4)o3)C2)cc1 ZINC000065254140 568047373 /nfs/dbraw/zinc/04/73/73/568047373.db2.gz FGVJZMNHMHNDSF-FQEVSTJZSA-N 1 0 361.489 4.808 20 0 FJADRO CCOC(=O)c1ncc(C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)s1 ZINC000602806087 568048643 /nfs/dbraw/zinc/04/86/43/568048643.db2.gz OOUQPRJEGAXMIB-ZDUSSCGKSA-N 1 0 364.536 4.671 20 0 FJADRO CCc1cc(N[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)ncn1 ZINC000603380322 568093959 /nfs/dbraw/zinc/09/39/59/568093959.db2.gz BIUPDFCZVFYDLT-FQEVSTJZSA-N 1 0 351.425 4.583 20 0 FJADRO CCCCCOc1ccc(C[NH2+][C@H]2CCOc3c(OC)cccc32)cc1 ZINC000603519013 568109153 /nfs/dbraw/zinc/10/91/53/568109153.db2.gz UVNWLGHFKCRNEB-FQEVSTJZSA-N 1 0 355.478 4.878 20 0 FJADRO CC1(c2ccccc2)CC([NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000603516098 568111555 /nfs/dbraw/zinc/11/15/55/568111555.db2.gz GQQXNABHFIPAIH-UHFFFAOYSA-N 1 0 358.485 4.871 20 0 FJADRO Clc1ccc(-c2noc(-c3ccc(C[NH+]4CCSCC4)cc3)n2)cc1 ZINC000603630188 568127847 /nfs/dbraw/zinc/12/78/47/568127847.db2.gz FLCODOCGZRCALH-UHFFFAOYSA-N 1 0 371.893 4.606 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000603668804 568132883 /nfs/dbraw/zinc/13/28/83/568132883.db2.gz CLTRQVCAPUJQFS-INIZCTEOSA-N 1 0 374.550 4.538 20 0 FJADRO Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000603686111 568135482 /nfs/dbraw/zinc/13/54/82/568135482.db2.gz DGTIHBMUZQKZSN-NVXWUHKLSA-N 1 0 372.484 4.607 20 0 FJADRO Cc1cccc(C2(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)CCC2)c1 ZINC000603686318 568135596 /nfs/dbraw/zinc/13/55/96/568135596.db2.gz XMSDCBZGPJMKNP-RTWAWAEBSA-N 1 0 368.565 4.530 20 0 FJADRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000603713850 568138201 /nfs/dbraw/zinc/13/82/01/568138201.db2.gz OGNPWJZQCHLTDR-UHFFFAOYSA-N 1 0 352.881 4.710 20 0 FJADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2CC3(C2)CCCCC3)[C@H]1c1cccs1 ZINC000669149956 568147044 /nfs/dbraw/zinc/14/70/44/568147044.db2.gz MSKYXNGCPZRZBP-LPHOPBHVSA-N 1 0 360.567 4.608 20 0 FJADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2CC3(C2)CCCCC3)[C@@H]1c1cccs1 ZINC000669149957 568147411 /nfs/dbraw/zinc/14/74/11/568147411.db2.gz MSKYXNGCPZRZBP-QFBILLFUSA-N 1 0 360.567 4.608 20 0 FJADRO Cc1nc(-c2ccc(C[NH2+]Cc3ccc(Br)cn3)cc2)cs1 ZINC000603720137 568147664 /nfs/dbraw/zinc/14/76/64/568147664.db2.gz QVZNWJJEPXZCHR-UHFFFAOYSA-N 1 0 374.307 4.566 20 0 FJADRO CCc1cccc2c(C(=O)[C@H]([NH2+]CCSC)c3ccccc3)c[nH]c21 ZINC000603743745 568148134 /nfs/dbraw/zinc/14/81/34/568148134.db2.gz LHBABSSILHFQQV-HXUWFJFHSA-N 1 0 352.503 4.607 20 0 FJADRO Cc1ccc(-c2csc3ncnc(N[C@H](C)C4CC[NH+](C)CC4)c23)cc1 ZINC000603820577 568148665 /nfs/dbraw/zinc/14/86/65/568148665.db2.gz CSHRNEVLGNHWOD-OAHLLOKOSA-N 1 0 366.534 4.809 20 0 FJADRO COC(=O)c1ccc([C@@H](C)[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000603880850 568176238 /nfs/dbraw/zinc/17/62/38/568176238.db2.gz JNRYIIGHDQLGTP-CYBMUJFWSA-N 1 0 368.408 4.537 20 0 FJADRO CC[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1OC ZINC000603944360 568185815 /nfs/dbraw/zinc/18/58/15/568185815.db2.gz LLYMDFIJXCMWRE-LJQANCHMSA-N 1 0 372.896 4.687 20 0 FJADRO CC(=O)c1c(C)cc(C)c(CN2CCC[N@H+](Cc3ccccc3)CC2)c1C ZINC000028157164 568193279 /nfs/dbraw/zinc/19/32/79/568193279.db2.gz LSJPBKUWQDKVJI-UHFFFAOYSA-N 1 0 364.533 4.522 20 0 FJADRO c1c2ccccc2[nH]c1[C@H]1CCCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000604042576 568203227 /nfs/dbraw/zinc/20/32/27/568203227.db2.gz FXAXQRDHGJLBJI-SFHVURJKSA-N 1 0 358.445 4.598 20 0 FJADRO COc1ccc(C[NH2+]CCCSc2ccccc2)c(OC(F)F)c1 ZINC000604063447 568205075 /nfs/dbraw/zinc/20/50/75/568205075.db2.gz VFWUFCRDTZBTAB-UHFFFAOYSA-N 1 0 353.434 4.569 20 0 FJADRO CC[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000236947434 568205118 /nfs/dbraw/zinc/20/51/18/568205118.db2.gz XAURHEFGOWCDKJ-INIZCTEOSA-N 1 0 367.367 4.597 20 0 FJADRO C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)cc1 ZINC000604067124 568205708 /nfs/dbraw/zinc/20/57/08/568205708.db2.gz UXLWIPGOFRFXHL-GFCCVEGCSA-N 1 0 362.260 4.937 20 0 FJADRO CC(C)Oc1ccccc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000604068374 568205854 /nfs/dbraw/zinc/20/58/54/568205854.db2.gz NBQQKCVDBQTKKC-UHFFFAOYSA-N 1 0 354.494 4.561 20 0 FJADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1cccc2ccccc21 ZINC000604072172 568210457 /nfs/dbraw/zinc/21/04/57/568210457.db2.gz MISIPKPCINHIIS-FQEVSTJZSA-N 1 0 359.473 4.626 20 0 FJADRO CC(=O)N(c1nc(C[NH2+][C@@H]2CCC[C@@H](F)C2)cs1)c1ccc(C)cc1 ZINC000563121719 568222760 /nfs/dbraw/zinc/22/27/60/568222760.db2.gz CQMISOYZIAHJKJ-HZPDHXFCSA-N 1 0 361.486 4.506 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000604198929 568225124 /nfs/dbraw/zinc/22/51/24/568225124.db2.gz LRIZYRVVYQHTFZ-QVKFZJNVSA-N 1 0 374.550 4.536 20 0 FJADRO C[C@@H](c1cccs1)N(C)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604202167 568227620 /nfs/dbraw/zinc/22/76/20/568227620.db2.gz QUBQCLZECBYLDL-HKUYNNGSSA-N 1 0 371.550 4.678 20 0 FJADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C1(c2cccc(F)c2)CC1 ZINC000604224079 568228945 /nfs/dbraw/zinc/22/89/45/568228945.db2.gz RPEFZRHLIMXNJV-UHFFFAOYSA-N 1 0 366.480 4.524 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000604222195 568231018 /nfs/dbraw/zinc/23/10/18/568231018.db2.gz BSWSCVOOVHHZEX-QGZVFWFLSA-N 1 0 366.480 4.870 20 0 FJADRO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccccc1F ZINC000024897421 568234098 /nfs/dbraw/zinc/23/40/98/568234098.db2.gz NHOTYWPFSVQEBW-UHFFFAOYSA-N 1 0 355.240 4.593 20 0 FJADRO Brc1cccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000302741732 568234177 /nfs/dbraw/zinc/23/41/77/568234177.db2.gz RDWVYWNILIRSFJ-INIZCTEOSA-N 1 0 366.324 4.692 20 0 FJADRO C[C@H](CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cccnc1 ZINC000604313966 568249030 /nfs/dbraw/zinc/24/90/30/568249030.db2.gz JLPNTPPCDLZBHS-QZTJIDSGSA-N 1 0 351.494 4.588 20 0 FJADRO CCC[N@H+](CCSc1ccc(F)cc1)CC(=O)Nc1ccccc1C ZINC000007696429 568249195 /nfs/dbraw/zinc/24/91/95/568249195.db2.gz QUZRKSQDDTYYKY-UHFFFAOYSA-N 1 0 360.498 4.577 20 0 FJADRO CC1CC[NH+](Cc2cccc(CNC(=O)Nc3ccccc3Cl)c2)CC1 ZINC000303142534 568253238 /nfs/dbraw/zinc/25/32/38/568253238.db2.gz MKINPFLYWBOJDQ-UHFFFAOYSA-N 1 0 371.912 4.894 20 0 FJADRO COc1ccccc1CC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000303203065 568257293 /nfs/dbraw/zinc/25/72/93/568257293.db2.gz XVUKTUMLYIYYPS-UHFFFAOYSA-N 1 0 362.473 4.805 20 0 FJADRO C[NH+](C)Cc1cc(CNC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)ccc1F ZINC000604342538 568260033 /nfs/dbraw/zinc/26/00/33/568260033.db2.gz CYTQRJQJPPEFKI-SVIALIIXSA-N 1 0 372.528 4.500 20 0 FJADRO Cc1ccc(C[N@@H+](Cc2cccc(C(=O)NCC(C)C)c2)C(C)C)s1 ZINC000303235063 568261802 /nfs/dbraw/zinc/26/18/02/568261802.db2.gz ZLKUGTCZYNDCSU-UHFFFAOYSA-N 1 0 358.551 4.853 20 0 FJADRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000563130465 568262244 /nfs/dbraw/zinc/26/22/44/568262244.db2.gz OWKJOAOLSNSPQM-NEPJUHHUSA-N 1 0 370.349 4.676 20 0 FJADRO O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000303285201 568264352 /nfs/dbraw/zinc/26/43/52/568264352.db2.gz VQWAMZSHIGWAHA-JOCHJYFZSA-N 1 0 366.480 4.693 20 0 FJADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000604346955 568264655 /nfs/dbraw/zinc/26/46/55/568264655.db2.gz GGRKFVFMDNLYSP-NSHDSACASA-N 1 0 371.333 4.622 20 0 FJADRO Cc1nc(C)c([C@@H](C)N(C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)s1 ZINC000303357822 568267879 /nfs/dbraw/zinc/26/78/79/568267879.db2.gz ZYYCWWFYXOZPEZ-APWZRJJASA-N 1 0 373.566 4.656 20 0 FJADRO Cc1nc(C)c([C@H](C)N(C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)s1 ZINC000303357823 568267882 /nfs/dbraw/zinc/26/78/82/568267882.db2.gz ZYYCWWFYXOZPEZ-LPHOPBHVSA-N 1 0 373.566 4.656 20 0 FJADRO O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028169403 568269203 /nfs/dbraw/zinc/26/92/03/568269203.db2.gz QTWSVQPVPVDTPP-UHFFFAOYSA-N 1 0 366.530 4.502 20 0 FJADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2[nH]c3ccccc3c2Cl)c1 ZINC000518796674 568273923 /nfs/dbraw/zinc/27/39/23/568273923.db2.gz WPOHWXGZSMACFZ-UHFFFAOYSA-N 1 0 369.896 4.593 20 0 FJADRO CCc1cc(NCc2ccc3cc(OC)ccc3c2)nc(-c2ccncc2)n1 ZINC000303391824 568274102 /nfs/dbraw/zinc/27/41/02/568274102.db2.gz NKNKTBPHFGVJKT-UHFFFAOYSA-N 1 0 370.456 4.875 20 0 FJADRO Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)o1 ZINC000604416573 568274724 /nfs/dbraw/zinc/27/47/24/568274724.db2.gz JDZAZQVAQNYCKE-JOCHJYFZSA-N 1 0 351.421 4.798 20 0 FJADRO Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)o1 ZINC000604416574 568274769 /nfs/dbraw/zinc/27/47/69/568274769.db2.gz JDZAZQVAQNYCKE-QFIPXVFZSA-N 1 0 351.421 4.798 20 0 FJADRO CC[NH+](CC)Cc1cccc(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000024925843 568274828 /nfs/dbraw/zinc/27/48/28/568274828.db2.gz UGGKXTUUJQDHQB-UHFFFAOYSA-N 1 0 360.498 4.539 20 0 FJADRO CC[C@@H](C)Oc1cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)ccc1OC ZINC000604417269 568275450 /nfs/dbraw/zinc/27/54/50/568275450.db2.gz STEKTPNMJXHREY-QUCCMNQESA-N 1 0 368.521 4.631 20 0 FJADRO CC(C)(C)[C@H](CC1CCCCC1)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000604418135 568276299 /nfs/dbraw/zinc/27/62/99/568276299.db2.gz ILPONWPJUONRFG-IBGZPJMESA-N 1 0 351.556 4.565 20 0 FJADRO CN(C)[C@H](C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1cccs1 ZINC000604414650 568279513 /nfs/dbraw/zinc/27/95/13/568279513.db2.gz HKAVPEZGTONHLZ-MRXNPFEDSA-N 1 0 362.445 4.679 20 0 FJADRO Cc1ccc(-c2ncc(C[NH2+]C[C@@H](c3ccc(C)cc3)N(C)C)s2)cc1 ZINC000604415449 568280820 /nfs/dbraw/zinc/28/08/20/568280820.db2.gz LJPIIZZLURWYKB-NRFANRHFSA-N 1 0 365.546 4.819 20 0 FJADRO CC(=O)Nc1ccc(CC[NH2+]Cc2ccc(-c3cccc(F)c3C)o2)cc1 ZINC000604415692 568281126 /nfs/dbraw/zinc/28/11/26/568281126.db2.gz PEMBBHSFMARWDI-UHFFFAOYSA-N 1 0 366.436 4.685 20 0 FJADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000604393000 568283068 /nfs/dbraw/zinc/28/30/68/568283068.db2.gz QGDBBLCYUDPIPA-IJEWVQPXSA-N 1 0 360.860 4.684 20 0 FJADRO Fc1ccc(OC2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)cc1 ZINC000604393973 568283744 /nfs/dbraw/zinc/28/37/44/568283744.db2.gz YGZUFOUPMIAPRF-UHFFFAOYSA-N 1 0 352.409 4.524 20 0 FJADRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000604394534 568284548 /nfs/dbraw/zinc/28/45/48/568284548.db2.gz RXSSANHGNKYTGH-DOTOQJQBSA-N 1 0 353.491 4.609 20 0 FJADRO CC(C)c1ccccc1NC(=O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000604396173 568295394 /nfs/dbraw/zinc/29/53/94/568295394.db2.gz MAMSVXTVFJCZDQ-UHFFFAOYSA-N 1 0 354.469 4.800 20 0 FJADRO Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000152004023 568295414 /nfs/dbraw/zinc/29/54/14/568295414.db2.gz JKJDWFYCMHOJFK-DYVFJYSZSA-N 1 0 350.300 4.518 20 0 FJADRO C[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1cccc(Br)c1 ZINC000094368538 568296604 /nfs/dbraw/zinc/29/66/04/568296604.db2.gz LBMNPTAKFHSSIV-BBRMVZONSA-N 1 0 370.356 4.545 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000604500903 568301657 /nfs/dbraw/zinc/30/16/57/568301657.db2.gz MJFVBOVDJHKIMF-UHFFFAOYSA-N 1 0 368.502 4.504 20 0 FJADRO COC(=O)c1cc(CN(C)[C@H](C)c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000604512538 568306604 /nfs/dbraw/zinc/30/66/04/568306604.db2.gz ZUJKSHUFTPPJOL-SNVBAGLBSA-N 1 0 356.249 4.874 20 0 FJADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)c2cccc(C)c2C)c1 ZINC000604578895 568316128 /nfs/dbraw/zinc/31/61/28/568316128.db2.gz DKSNOMVYWUKLOR-LJQANCHMSA-N 1 0 367.537 4.706 20 0 FJADRO C[C@H](OC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000604608378 568326226 /nfs/dbraw/zinc/32/62/26/568326226.db2.gz RCWIAWXPSWOIKB-IMLKGASGSA-N 1 0 373.924 4.657 20 0 FJADRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 ZINC000604628828 568330314 /nfs/dbraw/zinc/33/03/14/568330314.db2.gz WOLZHHBTGYWNOG-ZWKOTPCHSA-N 1 0 369.509 4.678 20 0 FJADRO Cc1cccc([C@@H](C)NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000604669826 568344678 /nfs/dbraw/zinc/34/46/78/568344678.db2.gz GRIJWTRETVLJRL-RTWAWAEBSA-N 1 0 371.569 4.518 20 0 FJADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H](C)c1ccccc1C ZINC000604696844 568351207 /nfs/dbraw/zinc/35/12/07/568351207.db2.gz NQOVNQUFNVHBEZ-IBGZPJMESA-N 1 0 368.521 4.848 20 0 FJADRO Cc1ccccc1[C@@H](C)CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000604697772 568351415 /nfs/dbraw/zinc/35/14/15/568351415.db2.gz CJMBRQCAUHGWIJ-FQEVSTJZSA-N 1 0 364.533 4.791 20 0 FJADRO C[NH+](C)CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000604726583 568353354 /nfs/dbraw/zinc/35/33/54/568353354.db2.gz HAXXUIZTGGTHSA-INMHGKMJSA-N 1 0 371.352 4.580 20 0 FJADRO C[NH+](C)CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000604726893 568353422 /nfs/dbraw/zinc/35/34/22/568353422.db2.gz YDQQILBIZAMCBH-ZQIUZPCESA-N 1 0 371.352 4.580 20 0 FJADRO CCc1ccc([C@@H](C)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000604713753 568355182 /nfs/dbraw/zinc/35/51/82/568355182.db2.gz GTYWABDSNDFQPA-RTBURBONSA-N 1 0 364.533 4.694 20 0 FJADRO CCc1ccc(CCC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000604713885 568355251 /nfs/dbraw/zinc/35/52/51/568355251.db2.gz LYVOBNAXQLAQHZ-LJQANCHMSA-N 1 0 364.533 4.523 20 0 FJADRO Cc1ccccc1[C@H](C)CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000604744924 568356062 /nfs/dbraw/zinc/35/60/62/568356062.db2.gz TZVNDBIJWLOEGW-LJQANCHMSA-N 1 0 352.522 4.645 20 0 FJADRO Cc1ccccc1[C@@H](C)CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000604741980 568359743 /nfs/dbraw/zinc/35/97/43/568359743.db2.gz KNBQOFNDVONRIC-FQEVSTJZSA-N 1 0 364.533 4.517 20 0 FJADRO CCC(CC)(CO)[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000604765739 568361964 /nfs/dbraw/zinc/36/19/64/568361964.db2.gz HRFBAHDSUJDMHM-UHFFFAOYSA-N 1 0 368.340 4.818 20 0 FJADRO CCCc1ccc(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000604767139 568362256 /nfs/dbraw/zinc/36/22/56/568362256.db2.gz NXZJNEPBVZUZIO-IBGZPJMESA-N 1 0 351.412 4.655 20 0 FJADRO Cc1cc(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)c2ccccc2n1 ZINC000604767663 568362343 /nfs/dbraw/zinc/36/23/43/568362343.db2.gz UUGUZBQGLOPHEO-FQEVSTJZSA-N 1 0 374.406 4.559 20 0 FJADRO Cc1ccccc1-c1cccc(C[NH2+][C@H]2CCC[C@H](C(=O)NC(C)C)C2)c1 ZINC000604772247 568363397 /nfs/dbraw/zinc/36/33/97/568363397.db2.gz NNTDDHZAJWMOFM-VXKWHMMOSA-N 1 0 364.533 4.835 20 0 FJADRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000604772938 568363579 /nfs/dbraw/zinc/36/35/79/568363579.db2.gz XCLFLWRPFJQTIL-HZPDHXFCSA-N 1 0 374.912 4.773 20 0 FJADRO Fc1cc(Br)ccc1CCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000604773022 568363592 /nfs/dbraw/zinc/36/35/92/568363592.db2.gz AZSRIAROKRRWBU-UHFFFAOYSA-N 1 0 361.258 4.792 20 0 FJADRO C[C@H](C[NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1c(Cl)cccc1Cl ZINC000604773792 568363816 /nfs/dbraw/zinc/36/38/16/568363816.db2.gz YVLRBEIGWPWGJK-ACJLOTCBSA-N 1 0 365.304 4.516 20 0 FJADRO CC(C)CCC[C@@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000604784447 568366327 /nfs/dbraw/zinc/36/63/27/568366327.db2.gz CFWSGCTYTRBWGX-RTBURBONSA-N 1 0 359.558 4.726 20 0 FJADRO CN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000604787455 568366838 /nfs/dbraw/zinc/36/68/38/568366838.db2.gz CAZDXPMDNZIFAL-MRXNPFEDSA-N 1 0 374.356 4.501 20 0 FJADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604788545 568367004 /nfs/dbraw/zinc/36/70/04/568367004.db2.gz MNVPBHGIODQFMS-INIZCTEOSA-N 1 0 374.356 4.501 20 0 FJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]2C2CCCC2)CC1 ZINC000604788354 568367048 /nfs/dbraw/zinc/36/70/48/568367048.db2.gz RTGPFMHYZHELDM-PGRDOPGGSA-N 1 0 369.553 4.576 20 0 FJADRO C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(C)(C)C ZINC000604789131 568367216 /nfs/dbraw/zinc/36/72/16/568367216.db2.gz ZDUSTJWYMLSDHP-QZTJIDSGSA-N 1 0 365.949 4.553 20 0 FJADRO CSc1ccc(Cl)cc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000604799219 568368897 /nfs/dbraw/zinc/36/88/97/568368897.db2.gz XMADHCBGAZLYFX-OAHLLOKOSA-N 1 0 357.951 4.550 20 0 FJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000604774954 568368927 /nfs/dbraw/zinc/36/89/27/568368927.db2.gz NEEZLNWUEDMQRV-OAHLLOKOSA-N 1 0 357.885 4.687 20 0 FJADRO Cc1csc(-c2cccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c2)n1 ZINC000604799202 568370424 /nfs/dbraw/zinc/37/04/24/568370424.db2.gz IULLJXMGTBTWBM-KRWDZBQOSA-N 1 0 374.554 4.606 20 0 FJADRO CCC1CCC(N(C)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000604826532 568376630 /nfs/dbraw/zinc/37/66/30/568376630.db2.gz OIWCYGVYGSYHGF-PGFLUOATSA-N 1 0 371.569 4.822 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1(Sc2ccccc2)CCCC1 ZINC000604861350 568379305 /nfs/dbraw/zinc/37/93/05/568379305.db2.gz ZITSPOWQJNAPIY-LJQANCHMSA-N 1 0 374.594 4.862 20 0 FJADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)C(=O)N(C)c1ccccc1 ZINC000604891856 568381938 /nfs/dbraw/zinc/38/19/38/568381938.db2.gz CBXYTUDFFHFUMJ-PXNSSMCTSA-N 1 0 364.514 4.673 20 0 FJADRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2cccnc2C)cc1 ZINC000604892289 568382093 /nfs/dbraw/zinc/38/20/93/568382093.db2.gz PJSYBMFQYBCXGW-FCHUYYIVSA-N 1 0 354.494 4.659 20 0 FJADRO CC(C)c1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cc1 ZINC000604875229 568382802 /nfs/dbraw/zinc/38/28/02/568382802.db2.gz PFMPQXOADKDFNS-UHFFFAOYSA-N 1 0 360.885 4.656 20 0 FJADRO Fc1ccc(CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C2CC2)cc1 ZINC000604903078 568385476 /nfs/dbraw/zinc/38/54/76/568385476.db2.gz HOWKNUBDNHIRRL-UHFFFAOYSA-N 1 0 359.395 4.778 20 0 FJADRO CC(C)(NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cccs1 ZINC000604920717 568390396 /nfs/dbraw/zinc/39/03/96/568390396.db2.gz GYOJSKPLIHEHHB-SFHVURJKSA-N 1 0 371.550 4.510 20 0 FJADRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2Br ZINC000319743194 568414210 /nfs/dbraw/zinc/41/42/10/568414210.db2.gz RCDFUQDIIIBLJL-DIFFPNOSSA-N 1 0 364.258 4.935 20 0 FJADRO C[C@H](c1cccs1)[N@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000032937818 568428905 /nfs/dbraw/zinc/42/89/05/568428905.db2.gz MVWIZCFYQZCFCT-FIKIJFGZSA-N 1 0 362.347 4.856 20 0 FJADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1Cl)c1cccc(Cl)c1 ZINC000007093152 568446125 /nfs/dbraw/zinc/44/61/25/568446125.db2.gz RZRIAXMDSMEAKT-MNOVXSKESA-N 1 0 355.240 4.810 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000007240673 568481292 /nfs/dbraw/zinc/48/12/92/568481292.db2.gz APTTZJWRCYYGJV-OAHLLOKOSA-N 1 0 360.885 4.594 20 0 FJADRO CC(C)[NH+]1CCC([N@H+](C)CC/C=C\c2ccc(Br)cc2)CC1 ZINC000604997660 568508107 /nfs/dbraw/zinc/50/81/07/568508107.db2.gz XVOXXIOXMYKVRA-XQRVVYSFSA-N 1 0 365.359 4.657 20 0 FJADRO Cc1c2ccccc2oc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448304 568512174 /nfs/dbraw/zinc/51/21/74/568512174.db2.gz VFOPBSQNYQZAKG-UHFFFAOYSA-N 1 0 362.473 4.657 20 0 FJADRO Clc1ccc([C@H]2CCCCCN2Cc2nc(-c3ccccn3)no2)cc1 ZINC000605000526 568514012 /nfs/dbraw/zinc/51/40/12/568514012.db2.gz YJQOSDVVBBKVPG-GOSISDBHSA-N 1 0 368.868 4.902 20 0 FJADRO Cc1csc(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)n1 ZINC000605008410 568515848 /nfs/dbraw/zinc/51/58/48/568515848.db2.gz RMPRAISGCOGDMG-INIZCTEOSA-N 1 0 351.313 4.845 20 0 FJADRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]Cc2csc(C(C)(C)C)n2)C1 ZINC000605008915 568516106 /nfs/dbraw/zinc/51/61/06/568516106.db2.gz DFQJUAGVEXDDLZ-MRXNPFEDSA-N 1 0 361.530 4.647 20 0 FJADRO Cc1cc(-c2noc([C@@H](C)[NH2+]C[C@H]3CCc4ccccc4C3)n2)ccc1F ZINC000605007995 568521087 /nfs/dbraw/zinc/52/10/87/568521087.db2.gz PCXOOFWJMSYCJH-CVEARBPZSA-N 1 0 365.452 4.640 20 0 FJADRO CC(C)(Cc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000605083901 568558399 /nfs/dbraw/zinc/55/83/99/568558399.db2.gz ULPYYPKTWIAZOL-UHFFFAOYSA-N 1 0 350.506 4.880 20 0 FJADRO O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cccc(-n2ccnc2)c1 ZINC000605094500 568562822 /nfs/dbraw/zinc/56/28/22/568562822.db2.gz BNCCZQYSMDKBBW-HXUWFJFHSA-N 1 0 373.481 4.648 20 0 FJADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cc2cc(F)ccc2o1 ZINC000605125753 568579524 /nfs/dbraw/zinc/57/95/24/568579524.db2.gz PNYTUXFJXFJWIC-IBGZPJMESA-N 1 0 366.436 4.529 20 0 FJADRO Cc1cccc([C@@H]2CCCCC[N@H+]2Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000605157005 568588352 /nfs/dbraw/zinc/58/83/52/568588352.db2.gz DLBWJWGAMFEUAO-FQEVSTJZSA-N 1 0 366.534 4.969 20 0 FJADRO CCOc1cc(C[NH2+][C@H]2CSc3ccccc32)ccc1OC(F)F ZINC000605165908 568594002 /nfs/dbraw/zinc/59/40/02/568594002.db2.gz FRRDRQBMOCYBNJ-AWEZNQCLSA-N 1 0 351.418 4.623 20 0 FJADRO CC(C)(C)CCC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000606164896 568682976 /nfs/dbraw/zinc/68/29/76/568682976.db2.gz DNISRCWXPHVLNY-UHFFFAOYSA-N 1 0 370.459 4.566 20 0 FJADRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cccs1 ZINC000606177583 568692918 /nfs/dbraw/zinc/69/29/18/568692918.db2.gz UCTYAJHDEZIVDM-IRXDYDNUSA-N 1 0 356.535 4.542 20 0 FJADRO CC[C@@H](CC(=O)Nc1cc(C[NH+](C)C)ccc1OC)c1ccc(C)cc1 ZINC000606173089 568705213 /nfs/dbraw/zinc/70/52/13/568705213.db2.gz NRLPKIKDCNDONL-SFHVURJKSA-N 1 0 354.494 4.588 20 0 FJADRO O=C(CC/C=C\c1ccccc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000606186422 568707964 /nfs/dbraw/zinc/70/79/64/568707964.db2.gz WCMPUHKYSYCEMQ-WTKPLQERSA-N 1 0 366.530 4.668 20 0 FJADRO C[NH+](C)[C@H]1CCCN(c2nc(Cl)nc3sc(-c4ccccc4)cc32)C1 ZINC001165034298 721894034 /nfs/dbraw/zinc/89/40/34/721894034.db2.gz BJQUDBMPSXEPKY-AWEZNQCLSA-N 1 0 372.925 4.542 20 0 FJADRO Clc1nc(Cl)c(N2CCCC[C@H]2CC[NH+]2CCCC2)c(C2CC2)n1 ZINC001165049644 721978621 /nfs/dbraw/zinc/97/86/21/721978621.db2.gz MGXLMIUKQNUJCK-AWEZNQCLSA-N 1 0 369.340 4.506 20 0 FJADRO Brc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000042238791 205094175 /nfs/dbraw/zinc/09/41/75/205094175.db2.gz KHGNLAJGZGIREU-UHFFFAOYSA-N 1 0 355.073 4.501 20 0 FJADRO Brc1ccccc1-c1ccc(C[NH2+]Cc2cccnc2)s1 ZINC000044861656 205113665 /nfs/dbraw/zinc/11/36/65/205113665.db2.gz BYOOEUKZLWLENT-UHFFFAOYSA-N 1 0 359.292 4.862 20 0 FJADRO Cn1c2ccccc2nc1C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000045388121 205121746 /nfs/dbraw/zinc/12/17/46/205121746.db2.gz DGWBQMLESHGUBF-UHFFFAOYSA-N 1 0 373.422 4.972 20 0 FJADRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000054396492 205199798 /nfs/dbraw/zinc/19/97/98/205199798.db2.gz AOFMHUDSSPMDNE-CYBMUJFWSA-N 1 0 362.395 4.530 20 0 FJADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000104883092 206003726 /nfs/dbraw/zinc/00/37/26/206003726.db2.gz FNMQRXDQRMEAOD-CVDCTZTESA-N 1 0 358.485 4.896 20 0 FJADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2sccc2-c2ccccc2)C1 ZINC000107711526 206021638 /nfs/dbraw/zinc/02/16/38/206021638.db2.gz YYQOBWDRLIQCOW-IRXDYDNUSA-N 1 0 356.535 4.513 20 0 FJADRO Cc1sc2ncnc(NC3CC[NH+](Cc4ccccc4C)CC3)c2c1C ZINC000108092613 206027576 /nfs/dbraw/zinc/02/75/76/206027576.db2.gz KSXKADLZIHUHOO-UHFFFAOYSA-N 1 0 366.534 4.693 20 0 FJADRO CC(C)[C@@H](C)NC(=O)C1CC[NH+]([C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000109831641 206063356 /nfs/dbraw/zinc/06/33/56/206063356.db2.gz BGKUEXHOPOUPDH-MSOLQXFVSA-N 1 0 352.522 4.774 20 0 FJADRO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000127641662 206120316 /nfs/dbraw/zinc/12/03/16/206120316.db2.gz VVKXROROVWKMBH-IAGOWNOFSA-N 1 0 362.395 4.509 20 0 FJADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)c(OC)c1 ZINC000038002457 211343897 /nfs/dbraw/zinc/34/38/97/211343897.db2.gz VDAIZLSTTPWEON-QWRGUYRKSA-N 1 0 370.312 4.940 20 0 FJADRO Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000106036023 222380402 /nfs/dbraw/zinc/38/04/02/222380402.db2.gz GBBYRMJRUYDATP-IYBDPMFKSA-N 1 0 372.896 4.510 20 0 FJADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)C1 ZINC000107590822 222397930 /nfs/dbraw/zinc/39/79/30/222397930.db2.gz OFYVEOKMDBCJHA-CQSZACIVSA-N 1 0 360.860 4.963 20 0 FJADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000108063419 222407746 /nfs/dbraw/zinc/40/77/46/222407746.db2.gz IQOQEQVKTMFQFX-LJQANCHMSA-N 1 0 372.896 4.823 20 0 FJADRO Cc1c(C(=O)NCCCC[NH+]2CCC(C)CC2)oc2c1c(C)ccc2C ZINC000108922220 222432416 /nfs/dbraw/zinc/43/24/16/222432416.db2.gz IKYCCQWMJVCOTF-UHFFFAOYSA-N 1 0 356.510 4.600 20 0 FJADRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc3c(c2)CCCC3)CC1 ZINC000644832545 567838417 /nfs/dbraw/zinc/83/84/17/567838417.db2.gz MAFGNSYUODIRFM-DEOSSOPVSA-N 1 0 368.565 4.569 20 0 FJADRO CCCc1cc(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)sc1C ZINC000601961734 567887497 /nfs/dbraw/zinc/88/74/97/567887497.db2.gz HYBMGFNGYGCKTR-UHFFFAOYSA-N 1 0 356.535 4.750 20 0 FJADRO Cc1c2cccc(C)c2oc1C(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000601968851 567889922 /nfs/dbraw/zinc/88/99/22/567889922.db2.gz SBNMRBOBMODTLC-UHFFFAOYSA-N 1 0 362.473 4.791 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H](c2ccccc2C)C(C)C)o1 ZINC000602028629 567904567 /nfs/dbraw/zinc/90/45/67/567904567.db2.gz HQYRSLDRZMOMJH-OAQYLSRUSA-N 1 0 356.510 4.899 20 0 FJADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)s2)CC[N@@H+]1Cc1ccccc1 ZINC000132166233 567920933 /nfs/dbraw/zinc/92/09/33/567920933.db2.gz SQRALGCTWPGMFB-ZBFHGGJFSA-N 1 0 362.926 4.527 20 0 FJADRO C[C@H](c1cccc2ccccc21)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000602238799 567954820 /nfs/dbraw/zinc/95/48/20/567954820.db2.gz DPIFTEKAGYJBFS-QGZVFWFLSA-N 1 0 356.473 4.823 20 0 FJADRO CCCCOc1ccc(-c2nnc(CN(C)Cc3ccsc3)o2)cc1 ZINC000051455388 567961759 /nfs/dbraw/zinc/96/17/59/567961759.db2.gz HUPOZVUEEHZWPT-UHFFFAOYSA-N 1 0 357.479 4.609 20 0 FJADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2OCC2CC2)c(C)c1OC ZINC000521415648 567962703 /nfs/dbraw/zinc/96/27/03/567962703.db2.gz VWAVUHQBMDNDTP-KRWDZBQOSA-N 1 0 369.505 4.960 20 0 FJADRO COC(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)c2sccc2C)s1 ZINC000521418758 567971418 /nfs/dbraw/zinc/97/14/18/567971418.db2.gz KDSXDSPWHIXHTE-QGZVFWFLSA-N 1 0 371.527 4.978 20 0 FJADRO Cc1cccn2cc(COc3ccc(C[NH2+]Cc4ccsc4)cc3)nc12 ZINC000063313242 567972886 /nfs/dbraw/zinc/97/28/86/567972886.db2.gz GSYXPPJQTSASPY-UHFFFAOYSA-N 1 0 363.486 4.573 20 0 FJADRO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000063522644 567982905 /nfs/dbraw/zinc/98/29/05/567982905.db2.gz FVQRTEMUAUFXAR-LJQANCHMSA-N 1 0 368.546 4.834 20 0 FJADRO COc1cc(C[NH2+]Cc2cc(Br)ccc2F)ccc1SC ZINC000063912406 567991853 /nfs/dbraw/zinc/99/18/53/567991853.db2.gz GNLZKPDMKMQOOA-UHFFFAOYSA-N 1 0 370.287 4.609 20 0 FJADRO CCOc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000521426052 568006246 /nfs/dbraw/zinc/00/62/46/568006246.db2.gz ZYSBDKXKRLROFY-HXUWFJFHSA-N 1 0 352.478 4.641 20 0 FJADRO C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000602660319 568012161 /nfs/dbraw/zinc/01/21/61/568012161.db2.gz QYHNSWHPAAGWEB-LVCYWYKZSA-N 1 0 358.526 4.595 20 0 FJADRO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCc2ccc(OC)cc2C1 ZINC000521426258 568012505 /nfs/dbraw/zinc/01/25/05/568012505.db2.gz NFQLWQSOFPGHAG-DLBZAZTESA-N 1 0 366.505 4.594 20 0 FJADRO FC(F)Oc1cccc(Cl)c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000602902906 568015672 /nfs/dbraw/zinc/01/56/72/568015672.db2.gz VUDDZGZTIBQIQP-UHFFFAOYSA-N 1 0 350.796 4.755 20 0 FJADRO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)c1ccc(-n3cncn3)cc1)CCS2 ZINC000186937009 568017658 /nfs/dbraw/zinc/01/76/58/568017658.db2.gz GKAYOEAVJHHQPE-OXJNMPFZSA-N 1 0 364.518 4.772 20 0 FJADRO COCCOc1ccc(C[NH2+][C@H]2CCSc3cc(C)c(C)cc32)cc1 ZINC000186998904 568047661 /nfs/dbraw/zinc/04/76/61/568047661.db2.gz KJIIKRSTLSTRRS-FQEVSTJZSA-N 1 0 357.519 4.655 20 0 FJADRO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl ZINC000121369040 568060873 /nfs/dbraw/zinc/06/08/73/568060873.db2.gz GSJBBVONXIAFQY-ZDUSSCGKSA-N 1 0 350.293 4.708 20 0 FJADRO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl ZINC000121369222 568060896 /nfs/dbraw/zinc/06/08/96/568060896.db2.gz GSJBBVONXIAFQY-CYBMUJFWSA-N 1 0 350.293 4.708 20 0 FJADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(C)(C)Cc1ccccc1)c1ccccc1 ZINC000522762516 568075380 /nfs/dbraw/zinc/07/53/80/568075380.db2.gz OUSPGADBQQZZDK-SFHVURJKSA-N 1 0 352.522 4.501 20 0 FJADRO CCc1ccc([C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C(C)C)cc1 ZINC000028399223 568075974 /nfs/dbraw/zinc/07/59/74/568075974.db2.gz JOZDIPYOQXHBMT-QFIPXVFZSA-N 1 0 367.537 4.507 20 0 FJADRO c1c(C[NH+]2CCC(C3CC3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000644836917 568080385 /nfs/dbraw/zinc/08/03/85/568080385.db2.gz LMDSSJFWUUGKAU-UHFFFAOYSA-N 1 0 358.489 4.556 20 0 FJADRO C[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000522765381 568088109 /nfs/dbraw/zinc/08/81/09/568088109.db2.gz JIMWVRWDWXBBSD-OXQOHEQNSA-N 1 0 371.912 4.537 20 0 FJADRO C[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000522765382 568088142 /nfs/dbraw/zinc/08/81/42/568088142.db2.gz JIMWVRWDWXBBSD-UZLBHIALSA-N 1 0 371.912 4.537 20 0 FJADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1SCc1ccco1 ZINC000603473153 568103467 /nfs/dbraw/zinc/10/34/67/568103467.db2.gz DEQPWPVHJOPHCU-KRWDZBQOSA-N 1 0 372.534 4.566 20 0 FJADRO Cc1cccc([C@@H]2CCCCCN2C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000522769289 568103831 /nfs/dbraw/zinc/10/38/31/568103831.db2.gz DSWGNHKKZAGIAY-NRFANRHFSA-N 1 0 371.569 4.885 20 0 FJADRO COc1cc(CN(C)c2cc[nH+]c3cc(F)ccc32)ccc1OC(F)F ZINC000603493094 568107668 /nfs/dbraw/zinc/10/76/68/568107668.db2.gz PMIHMMPCAADCAO-UHFFFAOYSA-N 1 0 362.351 4.620 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000603477937 568108602 /nfs/dbraw/zinc/10/86/02/568108602.db2.gz XDIIUDNIOOLURH-UHFFFAOYSA-N 1 0 374.550 4.680 20 0 FJADRO CC(C)(C)OCC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000603513699 568111158 /nfs/dbraw/zinc/11/11/58/568111158.db2.gz WQOJJKOEQBDMCI-UHFFFAOYSA-N 1 0 358.429 4.734 20 0 FJADRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)[C@H]1CCC[C@@H](C)C1 ZINC000603517138 568111763 /nfs/dbraw/zinc/11/17/63/568111763.db2.gz VSTVUEVPZCMGRS-QATBIIFWSA-N 1 0 364.533 4.680 20 0 FJADRO CN(c1ccccc1)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2)cc1 ZINC000603516770 568111802 /nfs/dbraw/zinc/11/18/02/568111802.db2.gz HYMZUYVFIVKAKX-UHFFFAOYSA-N 1 0 359.473 4.573 20 0 FJADRO COc1ccc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)c(Cl)c1 ZINC000603517748 568111972 /nfs/dbraw/zinc/11/19/72/568111972.db2.gz QQPQAEVNDMZHJY-UHFFFAOYSA-N 1 0 373.909 4.590 20 0 FJADRO O=C(CC/C=C/c1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000120380700 568128929 /nfs/dbraw/zinc/12/89/29/568128929.db2.gz FBHRHKXCCAKINU-PYFDAKBLSA-N 1 0 374.528 4.792 20 0 FJADRO Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000603694833 568136720 /nfs/dbraw/zinc/13/67/20/568136720.db2.gz CEFXKKUSBHDHHH-UHFFFAOYSA-N 1 0 365.502 4.741 20 0 FJADRO CCn1c(C[NH2+]CCCO[C@H]2CCCc3ccccc32)nc2ccccc21 ZINC000603723647 568142190 /nfs/dbraw/zinc/14/21/90/568142190.db2.gz UCNMHSXWQIYDEK-QFIPXVFZSA-N 1 0 363.505 4.630 20 0 FJADRO C[C@@H](NCc1ccc(Br)cn1)c1nc(-c2ccccc2)cs1 ZINC000603723962 568142403 /nfs/dbraw/zinc/14/24/03/568142403.db2.gz QQIJAFNXPIYWPB-GFCCVEGCSA-N 1 0 374.307 4.818 20 0 FJADRO C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1C(F)(F)F ZINC000056621272 568145396 /nfs/dbraw/zinc/14/53/96/568145396.db2.gz NQCYVOVICYFKQW-CYBMUJFWSA-N 1 0 365.399 4.650 20 0 FJADRO O=C(N1CCC[C@@H]([NH+]2CCCC2)CC1)C1(Sc2ccccc2)CCCC1 ZINC000150831427 568153340 /nfs/dbraw/zinc/15/33/40/568153340.db2.gz DVLPUXZCHPGAAI-LJQANCHMSA-N 1 0 372.578 4.568 20 0 FJADRO CC[C@@H]1c2ccccc2CC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000603944051 568185845 /nfs/dbraw/zinc/18/58/45/568185845.db2.gz FVTJXPHJDQZQIS-QGZVFWFLSA-N 1 0 353.491 4.740 20 0 FJADRO FC(F)(F)c1ccc(-c2nc(C[NH2+]CCC3CCOCC3)cs2)cc1 ZINC000603949255 568186866 /nfs/dbraw/zinc/18/68/66/568186866.db2.gz JJVCUZDBEKQHCK-UHFFFAOYSA-N 1 0 370.440 4.735 20 0 FJADRO CCN(C(C)=O)c1nc(CN2CCCCC[C@@H]2c2cccc(C)c2)cs1 ZINC000522787565 568194800 /nfs/dbraw/zinc/19/48/00/568194800.db2.gz MOEVFUWLGDATJV-HXUWFJFHSA-N 1 0 371.550 4.942 20 0 FJADRO Cc1nc2ccccc2nc1C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000604040404 568202921 /nfs/dbraw/zinc/20/29/21/568202921.db2.gz SYXLDTNQUURSAX-UHFFFAOYSA-N 1 0 354.457 4.709 20 0 FJADRO COc1cc(CC[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)ccc1O ZINC000604069317 568205995 /nfs/dbraw/zinc/20/59/95/568205995.db2.gz QSKWNANSGKWZAE-UHFFFAOYSA-N 1 0 360.668 4.693 20 0 FJADRO COc1cc(CC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)ccc1O ZINC000604069295 568206040 /nfs/dbraw/zinc/20/60/40/568206040.db2.gz PPKQWCDLSQPOEF-UHFFFAOYSA-N 1 0 357.837 4.647 20 0 FJADRO COc1cc(CC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)ccc1O ZINC000604069592 568206093 /nfs/dbraw/zinc/20/60/93/568206093.db2.gz YBANJSZJZVLVHQ-UHFFFAOYSA-N 1 0 357.450 4.601 20 0 FJADRO c1nc(-c2ccccc2)sc1C[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000604069717 568206179 /nfs/dbraw/zinc/20/61/79/568206179.db2.gz CPNYFEHGOMONJN-HXUWFJFHSA-N 1 0 363.530 4.564 20 0 FJADRO CCCCN(C(=O)NC1CC[NH+](CCC)CC1)[C@H](CC)c1ccccc1 ZINC000604072893 568210578 /nfs/dbraw/zinc/21/05/78/568210578.db2.gz SBPNDWFOXJICGB-OAQYLSRUSA-N 1 0 359.558 4.824 20 0 FJADRO CC(C)C[C@H]([NH3+])c1noc(Cn2c3ccccc3nc2C2CCCCC2)n1 ZINC000563121314 568222500 /nfs/dbraw/zinc/22/25/00/568222500.db2.gz MMXCYLUHQKHHAK-INIZCTEOSA-N 1 0 367.497 4.561 20 0 FJADRO CC(=O)N(c1nc(C[NH2+][C@H]2CCC[C@@H](F)C2)cs1)c1ccc(C)cc1 ZINC000563121717 568222726 /nfs/dbraw/zinc/22/27/26/568222726.db2.gz CQMISOYZIAHJKJ-CVEARBPZSA-N 1 0 361.486 4.506 20 0 FJADRO Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1Oc1ccncc1 ZINC000604210330 568226064 /nfs/dbraw/zinc/22/60/64/568226064.db2.gz BEBAQTPUDAYKFE-UHFFFAOYSA-N 1 0 362.473 4.881 20 0 FJADRO Cc1ccc(C(=O)Nc2ccc(OC(C)C)nc2)cc1Oc1ccncc1 ZINC000604223425 568228722 /nfs/dbraw/zinc/22/87/22/568228722.db2.gz OCQOCOQTFPTAIJ-UHFFFAOYSA-N 1 0 363.417 4.617 20 0 FJADRO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1F ZINC000024897414 568234063 /nfs/dbraw/zinc/23/40/63/568234063.db2.gz RGUXKYQYSCIVKJ-UHFFFAOYSA-N 1 0 355.240 4.593 20 0 FJADRO Cc1c2cc(Cl)ccc2oc1C(=O)NCc1cccc(-n2ccnc2)c1 ZINC000604299910 568245132 /nfs/dbraw/zinc/24/51/32/568245132.db2.gz ABLDZMMDLYXUDG-UHFFFAOYSA-N 1 0 365.820 4.510 20 0 FJADRO CCCCN(C(=O)C[C@@H](C)c1cccnc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000604328126 568250405 /nfs/dbraw/zinc/25/04/05/568250405.db2.gz HNNWBCDRESTESW-QGZVFWFLSA-N 1 0 359.558 4.513 20 0 FJADRO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000303137031 568252935 /nfs/dbraw/zinc/25/29/35/568252935.db2.gz CZGKRHMBUBASOV-FUHWJXTLSA-N 1 0 356.897 4.937 20 0 FJADRO CC(C)Oc1ccc(C[NH2+]Cc2cccc3c2OCO3)c(C(F)(F)F)c1 ZINC000303116334 568254026 /nfs/dbraw/zinc/25/40/26/568254026.db2.gz HHUXQYKTPFQAIJ-UHFFFAOYSA-N 1 0 367.367 4.511 20 0 FJADRO CN(CCC[NH2+]Cc1ccc(-c2ccccc2F)s1)CC(F)(F)F ZINC000303213970 568258345 /nfs/dbraw/zinc/25/83/45/568258345.db2.gz SJHMGMZCDHNGRQ-UHFFFAOYSA-N 1 0 360.420 4.528 20 0 FJADRO Clc1cccc(-c2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000303316671 568263074 /nfs/dbraw/zinc/26/30/74/568263074.db2.gz ADXGQSBMJKUHQH-KRWDZBQOSA-N 1 0 353.853 4.770 20 0 FJADRO O=C(NCCCCNc1ccccn1)c1ccc(C2CCCCC2)cc1 ZINC000303278602 568263818 /nfs/dbraw/zinc/26/38/18/568263818.db2.gz TXBAKWIUEGOFDG-UHFFFAOYSA-N 1 0 351.494 4.751 20 0 FJADRO Cc1ccc2c(CC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)coc2c1C ZINC000028162864 568263838 /nfs/dbraw/zinc/26/38/38/568263838.db2.gz XCWWPGPTMVITBJ-UHFFFAOYSA-N 1 0 362.473 4.827 20 0 FJADRO Cc1ccc([C@@H](CNC(=O)CCCCCc2cccs2)[NH+]2CCCC2)o1 ZINC000518796598 568271002 /nfs/dbraw/zinc/27/10/02/568271002.db2.gz ODFXTHHEDQDRNZ-LJQANCHMSA-N 1 0 374.550 4.706 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)o1 ZINC000604416609 568274681 /nfs/dbraw/zinc/27/46/81/568274681.db2.gz OPVKORIWNHODAC-JOCHJYFZSA-N 1 0 351.421 4.798 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)o1 ZINC000604416610 568274826 /nfs/dbraw/zinc/27/48/26/568274826.db2.gz OPVKORIWNHODAC-QFIPXVFZSA-N 1 0 351.421 4.798 20 0 FJADRO Fc1ccc(-c2nc(C[NH2+][C@H]3CCCN(c4ccccc4)C3)cs2)cc1 ZINC000604416893 568275152 /nfs/dbraw/zinc/27/51/52/568275152.db2.gz NCIZKZHYNRXMHU-SFHVURJKSA-N 1 0 367.493 4.708 20 0 FJADRO CSc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc([S@](C)=O)cc1)CCC2 ZINC000563136267 568275295 /nfs/dbraw/zinc/27/52/95/568275295.db2.gz QVIWYKHDHOIOSR-UCWRBECXSA-N 1 0 359.560 4.874 20 0 FJADRO COc1ccc2cc(C[NH2+]C[C@H](c3c(F)cccc3F)N(C)C)ccc2c1 ZINC000604417306 568275436 /nfs/dbraw/zinc/27/54/36/568275436.db2.gz WOHBBPMLMNQSJX-OAQYLSRUSA-N 1 0 370.443 4.519 20 0 FJADRO CCC[N@H+](CC)Cc1ccc(C(=O)N(CC)[C@@H](C)c2cccnc2)cc1 ZINC000604362274 568275691 /nfs/dbraw/zinc/27/56/91/568275691.db2.gz CHPFSTQYUMVRNR-SFHVURJKSA-N 1 0 353.510 4.537 20 0 FJADRO FC(F)(F)c1ccc(N2CC[C@@H]([NH2+]Cc3cccc4cc[nH]c43)C2)cc1 ZINC000604417780 568275735 /nfs/dbraw/zinc/27/57/35/568275735.db2.gz WNDPDVNDXXLHMV-QGZVFWFLSA-N 1 0 359.395 4.555 20 0 FJADRO CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)[C@H](C)C1 ZINC000604417992 568275955 /nfs/dbraw/zinc/27/59/55/568275955.db2.gz BAWJANUUTXKLLF-HYBUGGRVSA-N 1 0 366.549 4.580 20 0 FJADRO C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000303438849 568278071 /nfs/dbraw/zinc/27/80/71/568278071.db2.gz HINUEMOARRGRGH-MSOLQXFVSA-N 1 0 362.395 4.509 20 0 FJADRO COc1ccc(CC[NH2+]Cc2ccc(-c3cccc(F)c3C)o2)cc1OC ZINC000604414259 568279137 /nfs/dbraw/zinc/27/91/37/568279137.db2.gz GZEUBGBNTVRTIQ-UHFFFAOYSA-N 1 0 369.436 4.744 20 0 FJADRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000303460192 568280172 /nfs/dbraw/zinc/28/01/72/568280172.db2.gz LHCDIOCTNHMZOK-DLBZAZTESA-N 1 0 373.928 4.563 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccc(OCC3CC3)nc2)o1 ZINC000604415782 568281139 /nfs/dbraw/zinc/28/11/39/568281139.db2.gz TVYAPWQJRVEGJL-UHFFFAOYSA-N 1 0 366.436 4.868 20 0 FJADRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C(C)(C)CO1 ZINC000604389791 568281848 /nfs/dbraw/zinc/28/18/48/568281848.db2.gz UOBUNQANQAFHHQ-UHFFFAOYSA-N 1 0 366.505 4.572 20 0 FJADRO CCOc1ccc(-c2noc(C[N@@H+]3C[C@@H](c4ccccc4)C[C@@H]3C)n2)cc1 ZINC000604392916 568283100 /nfs/dbraw/zinc/28/31/00/568283100.db2.gz KPBVUEVTBNSTDA-LPHOPBHVSA-N 1 0 363.461 4.513 20 0 FJADRO Cc1sc2nc([C@H](C)[N@@H+]3C[C@@H](c4ccccc4)C[C@@H]3C)nc(N)c2c1C ZINC000604393906 568283684 /nfs/dbraw/zinc/28/36/84/568283684.db2.gz QLAQENNSSBCOIA-JDFRZJQESA-N 1 0 366.534 4.829 20 0 FJADRO CCc1cccc(CC)c1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000604394095 568283864 /nfs/dbraw/zinc/28/38/64/568283864.db2.gz AQNQTKMWEJOQKV-DYESRHJHSA-N 1 0 350.506 4.628 20 0 FJADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000604394103 568284083 /nfs/dbraw/zinc/28/40/83/568284083.db2.gz AYPGDAOOLAETGN-PBHICJAKSA-N 1 0 354.400 4.998 20 0 FJADRO CSCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000604477476 568299727 /nfs/dbraw/zinc/29/97/27/568299727.db2.gz VCVIDFRSDLHWHP-UHFFFAOYSA-N 1 0 357.910 4.645 20 0 FJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)c1cccc(C)c1C ZINC000604575898 568315695 /nfs/dbraw/zinc/31/56/95/568315695.db2.gz WVYUIIJGCBYNFL-LJQANCHMSA-N 1 0 367.537 4.706 20 0 FJADRO COc1cc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)ccc1OC(F)F ZINC000604608431 568326268 /nfs/dbraw/zinc/32/62/68/568326268.db2.gz WZMMUOGEVNWRAR-UHFFFAOYSA-N 1 0 365.395 4.848 20 0 FJADRO CC(C)CCc1ccccc1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000604619896 568330926 /nfs/dbraw/zinc/33/09/26/568330926.db2.gz NXYHDVBRWSBHGA-UHFFFAOYSA-N 1 0 371.500 4.798 20 0 FJADRO CC[C@H](C)c1ccc([C@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000604634359 568333199 /nfs/dbraw/zinc/33/31/99/568333199.db2.gz SCWNASVOBXXCHV-CNNODRBYSA-N 1 0 373.585 4.880 20 0 FJADRO CC(C)CC[C@@H](NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)C(C)(C)C ZINC000604664744 568342300 /nfs/dbraw/zinc/34/23/00/568342300.db2.gz WXRGMOLGPURNRU-LJQANCHMSA-N 1 0 353.595 4.599 20 0 FJADRO CC(C)CC[C@H](NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)C(C)(C)C ZINC000604664743 568342338 /nfs/dbraw/zinc/34/23/38/568342338.db2.gz WXRGMOLGPURNRU-IBGZPJMESA-N 1 0 353.595 4.599 20 0 FJADRO C[C@H](CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000604727020 568354210 /nfs/dbraw/zinc/35/42/10/568354210.db2.gz PPLDBYSCIRDMRK-RHSMWYFYSA-N 1 0 372.475 4.682 20 0 FJADRO Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000604744441 568355947 /nfs/dbraw/zinc/35/59/47/568355947.db2.gz OYAUISRYCXZYKC-SFTDATJTSA-N 1 0 356.554 4.603 20 0 FJADRO CC(=O)NC1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3C)cc2)CC1 ZINC000604758726 568360208 /nfs/dbraw/zinc/36/02/08/568360208.db2.gz SCBTXWDDZMWKJF-UHFFFAOYSA-N 1 0 372.896 4.541 20 0 FJADRO Cc1ccc([C@H]2CSCCN2CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000604761746 568361399 /nfs/dbraw/zinc/36/13/99/568361399.db2.gz VSQWXULEMCLRJC-OAQYLSRUSA-N 1 0 368.546 4.847 20 0 FJADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1csc2ccccc12)C(F)(F)F ZINC000604764904 568361684 /nfs/dbraw/zinc/36/16/84/568361684.db2.gz CAEPKYLDABHXEE-AEFFLSMTSA-N 1 0 365.420 4.525 20 0 FJADRO C[C@@](CO)([NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000604765539 568361820 /nfs/dbraw/zinc/36/18/20/568361820.db2.gz VTVLQQWXWQBQAS-VWLOTQADSA-N 1 0 370.496 4.687 20 0 FJADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000604766837 568362142 /nfs/dbraw/zinc/36/21/42/568362142.db2.gz UBGGRUPVLJZLGO-QFIPXVFZSA-N 1 0 356.469 4.528 20 0 FJADRO C[C@@](CO)([NH2+]Cc1csc2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000604767405 568362354 /nfs/dbraw/zinc/36/23/54/568362354.db2.gz JTGZKPNKKJZSRV-SFHVURJKSA-N 1 0 365.420 4.917 20 0 FJADRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000604770378 568362953 /nfs/dbraw/zinc/36/29/53/568362953.db2.gz WKMGRLCJJNQBJV-ROUUACIJSA-N 1 0 356.535 4.588 20 0 FJADRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000604770371 568362958 /nfs/dbraw/zinc/36/29/58/568362958.db2.gz WKMGRLCJJNQBJV-MSOLQXFVSA-N 1 0 356.535 4.588 20 0 FJADRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000604770375 568362987 /nfs/dbraw/zinc/36/29/87/568362987.db2.gz WKMGRLCJJNQBJV-QZTJIDSGSA-N 1 0 356.535 4.588 20 0 FJADRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000604773035 568363621 /nfs/dbraw/zinc/36/36/21/568363621.db2.gz DDDWPDZJPTWKFF-FQEVSTJZSA-N 1 0 351.881 4.908 20 0 FJADRO CC(C)CCC[C@@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000604784441 568366305 /nfs/dbraw/zinc/36/63/05/568366305.db2.gz CFWSGCTYTRBWGX-MOPGFXCFSA-N 1 0 359.558 4.726 20 0 FJADRO CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000604789173 568367191 /nfs/dbraw/zinc/36/71/91/568367191.db2.gz SZTNJYYJAKADMQ-JXFKEZNVSA-N 1 0 373.541 4.892 20 0 FJADRO CCCc1ccccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000604795184 568368187 /nfs/dbraw/zinc/36/81/87/568368187.db2.gz HHGWZHZCKKNDIE-SFHVURJKSA-N 1 0 365.521 4.986 20 0 FJADRO Cc1nc2ccccc2nc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390863185 568374541 /nfs/dbraw/zinc/37/45/41/568374541.db2.gz NHYJELAEKRRGIR-IHWFROFDSA-N 1 0 358.489 4.546 20 0 FJADRO CC[NH+](CC)CC1CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000604863804 568379808 /nfs/dbraw/zinc/37/98/08/568379808.db2.gz VWQDFMKHYMRAHX-UHFFFAOYSA-N 1 0 374.594 4.672 20 0 FJADRO CC[C@H](C)[C@H](C(=O)NCc1cccc(C[N@H+](C)CC)c1)c1ccccc1 ZINC000604864098 568379858 /nfs/dbraw/zinc/37/98/58/568379858.db2.gz YLKFZDIBBYTVEV-AVRDEDQJSA-N 1 0 352.522 4.584 20 0 FJADRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2C)cc1 ZINC000604892290 568382120 /nfs/dbraw/zinc/38/21/20/568382120.db2.gz PJSYBMFQYBCXGW-FGZHOGPDSA-N 1 0 354.494 4.659 20 0 FJADRO Fc1ccc(CC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C2CC2)cc1 ZINC000604903217 568385521 /nfs/dbraw/zinc/38/55/21/568385521.db2.gz ZOSBORPBMFJPSQ-UHFFFAOYSA-N 1 0 371.843 4.736 20 0 FJADRO Clc1ccc(CC[N@@H+](Cc2noc(-c3ccsc3)n2)CC2CC2)cc1 ZINC000604903356 568385571 /nfs/dbraw/zinc/38/55/71/568385571.db2.gz KCIBEQULFKYCGT-UHFFFAOYSA-N 1 0 373.909 4.906 20 0 FJADRO CC[C@@H](C)N(Cc1ccccc1)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000604916419 568389312 /nfs/dbraw/zinc/38/93/12/568389312.db2.gz JUBRNDWRSOFBNF-UYAOXDASSA-N 1 0 371.525 4.673 20 0 FJADRO C[NH+](C)C1CCC(NC(=O)Nc2cc(Cl)ccc2C(C)(C)C)CC1 ZINC000643265310 568443676 /nfs/dbraw/zinc/44/36/76/568443676.db2.gz ROVYRKVAZYDYHK-UHFFFAOYSA-N 1 0 351.922 4.632 20 0 FJADRO CCC[NH+]1CCC(NC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)CC1 ZINC000604972845 568464986 /nfs/dbraw/zinc/46/49/86/568464986.db2.gz FORWSJIAJFJZRC-UHFFFAOYSA-N 1 0 372.459 4.544 20 0 FJADRO Cn1cc([C@H]([NH2+]CCc2cccc(Cl)c2Cl)c2ccccc2)cn1 ZINC000432693570 568474577 /nfs/dbraw/zinc/47/45/77/568474577.db2.gz PRVDABJTBJVOKK-LJQANCHMSA-N 1 0 360.288 4.649 20 0 FJADRO C[C@@H]([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)c1ccccc1 ZINC000007285362 568489996 /nfs/dbraw/zinc/48/99/96/568489996.db2.gz TWVAPJFMIPKUIQ-CQSZACIVSA-N 1 0 361.470 4.502 20 0 FJADRO CC(C)COC1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000604997584 568508029 /nfs/dbraw/zinc/50/80/29/568508029.db2.gz ODTOSZNDSMGIDI-HYXAFXHYSA-N 1 0 366.343 4.989 20 0 FJADRO Brc1ccc(/C=C/CC[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000604997460 568508115 /nfs/dbraw/zinc/50/81/15/568508115.db2.gz YYEVMSNFSWMRGI-NZURWCHMSA-N 1 0 372.310 4.522 20 0 FJADRO CC[C@@H]1CCC[N@H+](Cc2csc(-c3cccc(OC)c3OC)n2)CC1 ZINC000604999193 568512646 /nfs/dbraw/zinc/51/26/46/568512646.db2.gz UOIGXOKTJIIEGP-OAHLLOKOSA-N 1 0 360.523 4.839 20 0 FJADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCCOC(C)(C)C1 ZINC000604999676 568512842 /nfs/dbraw/zinc/51/28/42/568512842.db2.gz HVPFZIMVWVZBGS-KRWDZBQOSA-N 1 0 352.478 4.501 20 0 FJADRO CNC(=O)c1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000605000365 568513851 /nfs/dbraw/zinc/51/38/51/568513851.db2.gz LKFBOQUXCUMBHK-HXUWFJFHSA-N 1 0 356.897 4.817 20 0 FJADRO CC(C)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000605000333 568513870 /nfs/dbraw/zinc/51/38/70/568513870.db2.gz JEXVHRRJHGYUKR-OAHLLOKOSA-N 1 0 353.388 4.766 20 0 FJADRO COc1cc(C[NH2+]CCc2ccc(Br)cc2)ccc1SC ZINC000605008808 568515985 /nfs/dbraw/zinc/51/59/85/568515985.db2.gz WIPUKHPVYRWUIQ-UHFFFAOYSA-N 1 0 366.324 4.512 20 0 FJADRO C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000007496928 568523053 /nfs/dbraw/zinc/52/30/53/568523053.db2.gz RJLWOZWTKFCVOG-IBGZPJMESA-N 1 0 358.485 4.585 20 0 FJADRO CC[N@@H+](Cc1cnn(C2CCCC2)c1-c1ccccc1)C[C@H]1CCOC1 ZINC000643284568 568525644 /nfs/dbraw/zinc/52/56/44/568525644.db2.gz SPNVMNRRIDKCKE-GOSISDBHSA-N 1 0 353.510 4.524 20 0 FJADRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000643285447 568527737 /nfs/dbraw/zinc/52/77/37/568527737.db2.gz DYCFMZXEPHUGII-HSZRJFAPSA-N 1 0 354.538 4.567 20 0 FJADRO Cc1ccc([C@H]([NH2+]CC(=O)N[C@H](C)c2cccs2)c2ccccc2)cc1 ZINC000007542207 568529933 /nfs/dbraw/zinc/52/99/33/568529933.db2.gz BOVLBFASBMDYHO-VGOFRKELSA-N 1 0 364.514 4.613 20 0 FJADRO C[C@@H](C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1)c1ccncc1 ZINC000643290353 568555416 /nfs/dbraw/zinc/55/54/16/568555416.db2.gz WGOWOXMKMSGTGO-SFHVURJKSA-N 1 0 360.505 4.954 20 0 FJADRO C[N@@H+]1CCC[C@@H](CNC(=O)CC(C)(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605103351 568566372 /nfs/dbraw/zinc/56/63/72/568566372.db2.gz RWMCPSBZPPCZBG-YJBOKZPZSA-N 1 0 370.459 4.641 20 0 FJADRO Cc1cc(C)c(NC(=O)CN2CCS[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000605155542 568600666 /nfs/dbraw/zinc/60/06/66/568600666.db2.gz UMXKGGMNVPSYPQ-GOSISDBHSA-N 1 0 374.937 4.685 20 0 FJADRO c1ccc(-c2nc(N3CCC[C@H]([NH+]4CCCC4)CC3)nc3ccccc32)cc1 ZINC000606156407 568676366 /nfs/dbraw/zinc/67/63/66/568676366.db2.gz KQOKEKHYCMTKIP-FQEVSTJZSA-N 1 0 372.516 4.752 20 0 FJADRO c1ccc(-c2nc(N3CCC[C@@H]([NH+]4CCCC4)CC3)nc3ccccc32)cc1 ZINC000606156408 568676453 /nfs/dbraw/zinc/67/64/53/568676453.db2.gz KQOKEKHYCMTKIP-HXUWFJFHSA-N 1 0 372.516 4.752 20 0 FJADRO CC[C@H](CC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000606161084 568680011 /nfs/dbraw/zinc/68/00/11/568680011.db2.gz CNRJTYOAJRDPEY-TZIWHRDSSA-N 1 0 368.521 4.815 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)N2c3ccccc3CC[C@H]2C)cc1)C(C)C ZINC000606161131 568680029 /nfs/dbraw/zinc/68/00/29/568680029.db2.gz GWVPNFIQPPXGSF-GOSISDBHSA-N 1 0 350.506 4.898 20 0 FJADRO CC[C@@H](CC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000606161083 568680133 /nfs/dbraw/zinc/68/01/33/568680133.db2.gz CNRJTYOAJRDPEY-PZJWPPBQSA-N 1 0 368.521 4.815 20 0 FJADRO C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1cccs1 ZINC000606163086 568681526 /nfs/dbraw/zinc/68/15/26/568681526.db2.gz WLZVXBICTRTZEP-HZPDHXFCSA-N 1 0 362.564 4.503 20 0 FJADRO CCCN(C(=O)[C@H](C)c1ccsc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000606187809 568709082 /nfs/dbraw/zinc/70/90/82/568709082.db2.gz HPUMSUYHBGUFGQ-NQIIRXRSSA-N 1 0 370.562 4.755 20 0 FJADRO CCCN(C(=O)[C@@H](C)c1cccs1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000606189026 568709991 /nfs/dbraw/zinc/70/99/91/568709991.db2.gz YEEVPFXUHLXUQP-AZUAARDMSA-N 1 0 370.562 4.755 20 0 FJADRO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccsc1 ZINC000606198809 568718048 /nfs/dbraw/zinc/71/80/48/568718048.db2.gz GBZQTKOTLBWIDU-KRWDZBQOSA-N 1 0 356.535 4.544 20 0 FJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164387763 718803050 /nfs/dbraw/zinc/80/30/50/718803050.db2.gz OZKREQMJNVZDHX-UHFFFAOYSA-N 1 0 365.855 4.546 20 0 FJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc3ccccc3cn1)CC2 ZINC001164793766 721491838 /nfs/dbraw/zinc/49/18/38/721491838.db2.gz VQVWCGBDRKMOST-UHFFFAOYSA-N 1 0 372.516 4.511 20 0 FJADRO C[NH+](C)CC1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC001165041540 721945015 /nfs/dbraw/zinc/94/50/15/721945015.db2.gz CHSGCKAVMAVRJH-UHFFFAOYSA-N 1 0 372.516 4.589 20 0 FJADRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2ccc(C)cc2)CC1 ZINC001165054536 722007487 /nfs/dbraw/zinc/00/74/87/722007487.db2.gz PPMUBCAJBIGSOS-UHFFFAOYSA-N 1 0 374.916 4.541 20 0 FJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nccc4ccccc42)C3)c1 ZINC001164994921 722193531 /nfs/dbraw/zinc/19/35/31/722193531.db2.gz QSOMAWCAKYZGHC-QHCPKHFHSA-N 1 0 361.464 4.619 20 0 FJADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000057407013 205237921 /nfs/dbraw/zinc/23/79/21/205237921.db2.gz RQXNWSNICNFDRJ-INIZCTEOSA-N 1 0 370.255 4.557 20 0 FJADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2sccc2-c2ccccc2)C1 ZINC000107711529 206020403 /nfs/dbraw/zinc/02/04/03/206020403.db2.gz YYQOBWDRLIQCOW-IAGOWNOFSA-N 1 0 356.535 4.513 20 0 FJADRO Cc1c2cccc(C)c2oc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000108819411 206040695 /nfs/dbraw/zinc/04/06/95/206040695.db2.gz AWPOSMHEOOVCLN-PKOBYXMFSA-N 1 0 362.473 4.615 20 0 FJADRO CC(C)[N@@H+]1CC[C@H](CNc2ncnc3scc(-c4ccccc4)c32)C1 ZINC000109316364 206052581 /nfs/dbraw/zinc/05/25/81/206052581.db2.gz ZDJRCINTKVYKJX-OAHLLOKOSA-N 1 0 352.507 4.501 20 0 FJADRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000038014147 211350741 /nfs/dbraw/zinc/35/07/41/211350741.db2.gz LSBCTEBTCJEMNH-ZJUUUORDSA-N 1 0 351.705 4.602 20 0 FJADRO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000104883093 222362850 /nfs/dbraw/zinc/36/28/50/222362850.db2.gz FNMQRXDQRMEAOD-AUSIDOKSSA-N 1 0 358.485 4.896 20 0 FJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000109569796 222466495 /nfs/dbraw/zinc/46/64/95/222466495.db2.gz BHZZCPDXQJEKGW-RTWAWAEBSA-N 1 0 370.924 4.602 20 0 FJADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1F)c1ccccc1Cl ZINC000028801982 538554343 /nfs/dbraw/zinc/55/43/43/538554343.db2.gz MHEGWSHJTVTETE-GOSISDBHSA-N 1 0 363.864 4.684 20 0 FJADRO Cc1ccc(-c2ccsc2C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000150806081 567875900 /nfs/dbraw/zinc/87/59/00/567875900.db2.gz SUIAJKGSFMLELY-LJQANCHMSA-N 1 0 368.546 4.814 20 0 FJADRO C[NH+]1CCC(N(C(=O)c2cc(Cl)sc2Cl)c2ccccc2)CC1 ZINC000601958292 567886240 /nfs/dbraw/zinc/88/62/40/567886240.db2.gz UIYYNAHZLFRCLK-UHFFFAOYSA-N 1 0 369.317 4.796 20 0 FJADRO C[NH+]1CCC(N(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c2ccccc2)CC1 ZINC000601959406 567886563 /nfs/dbraw/zinc/88/65/63/567886563.db2.gz ZXZYSKDRBVRPJR-NHCUHLMSSA-N 1 0 368.908 4.571 20 0 FJADRO CC[C@H](CC(=O)N(c1ccccc1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000601961282 567887415 /nfs/dbraw/zinc/88/74/15/567887415.db2.gz WZLCMERPVUSIQS-LJQANCHMSA-N 1 0 350.506 4.698 20 0 FJADRO C[NH+]1CCC(N(C(=O)c2cc3ccc(F)cc3s2)c2ccccc2)CC1 ZINC000601963853 567888452 /nfs/dbraw/zinc/88/84/52/567888452.db2.gz WUIXAUYYAAUCQO-UHFFFAOYSA-N 1 0 368.477 4.781 20 0 FJADRO Cc1ccc([C@@H](CNC(=O)N2CCCCC[C@H]2c2ccco2)[NH+](C)C)cc1 ZINC000605962016 567942934 /nfs/dbraw/zinc/94/29/34/567942934.db2.gz DNDNMQKHXNIHGF-VQTJNVASSA-N 1 0 369.509 4.518 20 0 FJADRO CCOc1cc2[nH+]ccc(N3CC[C@H](c4ccco4)C3)c2cc1OCC ZINC000602235849 567958489 /nfs/dbraw/zinc/95/84/89/567958489.db2.gz IZVUITRKAGZSSH-HNNXBMFYSA-N 1 0 352.434 4.619 20 0 FJADRO C[C@H](CCc1ccco1)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000602274149 567962178 /nfs/dbraw/zinc/96/21/78/567962178.db2.gz MTKWETNFFYDDAQ-CYBMUJFWSA-N 1 0 374.282 4.543 20 0 FJADRO C[C@@H](CCc1ccco1)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000602274150 567962212 /nfs/dbraw/zinc/96/22/12/567962212.db2.gz MTKWETNFFYDDAQ-ZDUSSCGKSA-N 1 0 374.282 4.543 20 0 FJADRO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(OC(F)F)c(OC)c2)c1 ZINC000063319478 567972970 /nfs/dbraw/zinc/97/29/70/567972970.db2.gz YDRAHIIYEGGQAC-ZDUSSCGKSA-N 1 0 351.393 4.546 20 0 FJADRO C[C@@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1ccc(F)cc1 ZINC000602567234 567995720 /nfs/dbraw/zinc/99/57/20/567995720.db2.gz LGTQCGUODWLKAL-QGZVFWFLSA-N 1 0 369.484 4.813 20 0 FJADRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CCCC(C)C)c1ccccc1 ZINC000028370754 568006696 /nfs/dbraw/zinc/00/66/96/568006696.db2.gz FGYVNKVKCZCIDU-OAQYLSRUSA-N 1 0 354.494 4.709 20 0 FJADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CO[C@H]3CCC[C@@H](C)C3)c2C1 ZINC000602681864 568010303 /nfs/dbraw/zinc/01/03/03/568010303.db2.gz TXUFHDBIWNMTKW-MJGOQNOKSA-N 1 0 358.526 4.582 20 0 FJADRO Cc1cccc(C)c1OCCCN1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000602877225 568010442 /nfs/dbraw/zinc/01/04/42/568010442.db2.gz KPFWRXUULAMZTB-SFHVURJKSA-N 1 0 355.482 4.560 20 0 FJADRO CSc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3nccs3)CC1)CCC2 ZINC000521436088 568010643 /nfs/dbraw/zinc/01/06/43/568010643.db2.gz MNJPMIVTLCTTQP-SFHVURJKSA-N 1 0 359.564 4.501 20 0 FJADRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)C1CCC(C)CC1 ZINC000602912008 568011477 /nfs/dbraw/zinc/01/14/77/568011477.db2.gz WXKIUMMWPDNCHR-ORWMALAUSA-N 1 0 350.506 4.751 20 0 FJADRO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000186936280 568017493 /nfs/dbraw/zinc/01/74/93/568017493.db2.gz LYDHXZCKMVVPIA-KRWDZBQOSA-N 1 0 373.518 4.656 20 0 FJADRO Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)c1ccc(-n3cncn3)cc1)CCS2 ZINC000186937043 568017638 /nfs/dbraw/zinc/01/76/38/568017638.db2.gz GKAYOEAVJHHQPE-OXQOHEQNSA-N 1 0 364.518 4.772 20 0 FJADRO CC(C)(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000521428801 568021220 /nfs/dbraw/zinc/02/12/20/568021220.db2.gz VFKXEGJKJYRLCB-UHFFFAOYSA-N 1 0 364.533 4.657 20 0 FJADRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CCS2 ZINC000186986314 568037186 /nfs/dbraw/zinc/03/71/86/568037186.db2.gz LIQWMBTZKSFOLN-LJQANCHMSA-N 1 0 353.535 4.625 20 0 FJADRO Cc1ccc([C@H](CNC(=O)Nc2c(C)cccc2C(C)C)[NH+](C)C)cc1 ZINC000065356991 568049345 /nfs/dbraw/zinc/04/93/45/568049345.db2.gz MYSSFAZWAWMLDG-FQEVSTJZSA-N 1 0 353.510 4.851 20 0 FJADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3nccc4ccccc43)cc2)C1 ZINC000522758514 568053680 /nfs/dbraw/zinc/05/36/80/568053680.db2.gz ROKFQIVGUHCOLY-KRWDZBQOSA-N 1 0 359.473 4.719 20 0 FJADRO Cc1ccc([C@@H]([NH2+]Cc2ccccc2N2CCOCC2)c2ccccc2)cc1 ZINC000066969922 568072601 /nfs/dbraw/zinc/07/26/01/568072601.db2.gz NCHGDJHQABVTCE-VWLOTQADSA-N 1 0 372.512 4.711 20 0 FJADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000067690621 568080807 /nfs/dbraw/zinc/08/08/07/568080807.db2.gz GHGGACZXJVJQRE-LLVKDONJSA-N 1 0 370.276 4.870 20 0 FJADRO C[C@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)[C@H]1CC1(F)F ZINC000666445189 568082575 /nfs/dbraw/zinc/08/25/75/568082575.db2.gz QWIWPZJZNLMDSN-WRWORJQWSA-N 1 0 358.148 4.601 20 0 FJADRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000128617234 568083977 /nfs/dbraw/zinc/08/39/77/568083977.db2.gz ZOCAWOQULLVPIP-INIZCTEOSA-N 1 0 355.869 4.843 20 0 FJADRO CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1cc[nH+]c2cc(F)ccc21 ZINC000603493684 568107880 /nfs/dbraw/zinc/10/78/80/568107880.db2.gz BLHKNSJVCYIRQW-VGOFRKELSA-N 1 0 350.437 4.978 20 0 FJADRO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc[nH+]c2cc(F)ccc21 ZINC000603493677 568107893 /nfs/dbraw/zinc/10/78/93/568107893.db2.gz BLHKNSJVCYIRQW-HTAPYJJXSA-N 1 0 350.437 4.978 20 0 FJADRO COc1ccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(OC)c(Cl)c3)c2c1 ZINC000603509156 568110164 /nfs/dbraw/zinc/11/01/64/568110164.db2.gz CKKDVSXJRWCOKU-ZDUSSCGKSA-N 1 0 358.869 4.732 20 0 FJADRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 ZINC000603509833 568110335 /nfs/dbraw/zinc/11/03/35/568110335.db2.gz RJMPZGPEXGFRFN-ROUUACIJSA-N 1 0 362.395 4.552 20 0 FJADRO CC[C@H](C)[N@H+](C)CCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000603512636 568110939 /nfs/dbraw/zinc/11/09/39/568110939.db2.gz UESMWFLTQMHOJD-ZDUSSCGKSA-N 1 0 371.472 4.649 20 0 FJADRO CC(C)(C)n1cc(C[NH2+][C@H]2CCOc3c(-c4ccccc4)cccc32)cn1 ZINC000603518264 568112035 /nfs/dbraw/zinc/11/20/35/568112035.db2.gz DMKRRWJBSWMQBX-NRFANRHFSA-N 1 0 361.489 4.919 20 0 FJADRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCOc3c(-c4ccccc4)cccc32)cc1 ZINC000603518874 568112665 /nfs/dbraw/zinc/11/26/65/568112665.db2.gz OOAGUCLYKBDWRG-QHCPKHFHSA-N 1 0 372.468 4.925 20 0 FJADRO O=[S@@](CC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000522775843 568131953 /nfs/dbraw/zinc/13/19/53/568131953.db2.gz CPZNOJODNJYUNH-CMJOXMDJSA-N 1 0 368.329 4.591 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000603668490 568132809 /nfs/dbraw/zinc/13/28/09/568132809.db2.gz XINLAFFFCXNSCR-GOSISDBHSA-N 1 0 374.550 4.536 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000603670345 568132991 /nfs/dbraw/zinc/13/29/91/568132991.db2.gz QAQKXSAPSUUTOY-UHFFFAOYSA-N 1 0 374.550 4.538 20 0 FJADRO Cc1ccc(NC(=O)c2csc(-c3ccccc3C)n2)c(C[NH+](C)C)c1 ZINC000603694745 568136722 /nfs/dbraw/zinc/13/67/22/568136722.db2.gz ASRSJKKDWKJRQR-UHFFFAOYSA-N 1 0 365.502 4.741 20 0 FJADRO COc1ccc(C2([NH2+]Cc3cnc(-c4ccccc4)nc3)CCCC2)cc1 ZINC000603709190 568137665 /nfs/dbraw/zinc/13/76/65/568137665.db2.gz PQXAXGXHDWIJSC-UHFFFAOYSA-N 1 0 359.473 4.711 20 0 FJADRO C[N@@H+]1CCC[C@H](CNC(=O)C2CC3(C2)CCCCC3)[C@H]1c1cccs1 ZINC000669149955 568146461 /nfs/dbraw/zinc/14/64/61/568146461.db2.gz MSKYXNGCPZRZBP-APWZRJJASA-N 1 0 360.567 4.608 20 0 FJADRO O=C(N1CCC[C@H]([NH+]2CCCC2)CC1)C1(Sc2ccccc2)CCCC1 ZINC000150831400 568152627 /nfs/dbraw/zinc/15/26/27/568152627.db2.gz DVLPUXZCHPGAAI-IBGZPJMESA-N 1 0 372.578 4.568 20 0 FJADRO Cc1ccc(NC(=O)CCCCCc2ccc(O)cc2)c(C[NH+](C)C)c1 ZINC000603737010 568152825 /nfs/dbraw/zinc/15/28/25/568152825.db2.gz JUPNXQWLPXDNJI-UHFFFAOYSA-N 1 0 354.494 4.504 20 0 FJADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1nc2ccsc2s1)c1ccccc1 ZINC000522780563 568157203 /nfs/dbraw/zinc/15/72/03/568157203.db2.gz OUMYADQTVXTISZ-GFCCVEGCSA-N 1 0 374.535 4.609 20 0 FJADRO CC[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)c1ccc(Cl)s1 ZINC000603835254 568159172 /nfs/dbraw/zinc/15/91/72/568159172.db2.gz SWCUVVBWXXZZEU-CYBMUJFWSA-N 1 0 354.903 4.717 20 0 FJADRO COC(=O)c1occc1CN(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000603860010 568170372 /nfs/dbraw/zinc/17/03/72/568170372.db2.gz JERCPLFGFGRBFN-UHFFFAOYSA-N 1 0 354.233 4.538 20 0 FJADRO c1sc(-c2ccccc2)nc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000603938999 568184624 /nfs/dbraw/zinc/18/46/24/568184624.db2.gz YFDDAYSVBFNMNL-UHFFFAOYSA-N 1 0 350.487 4.606 20 0 FJADRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000603943688 568185698 /nfs/dbraw/zinc/18/56/98/568185698.db2.gz BZNDQPDVXSURSJ-QHCPKHFHSA-N 1 0 362.517 4.822 20 0 FJADRO CC[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1SC ZINC000603944048 568185819 /nfs/dbraw/zinc/18/58/19/568185819.db2.gz FVPLRGMVRIELFK-IBGZPJMESA-N 1 0 354.519 4.747 20 0 FJADRO COc1ccc(-c2nc(C[NH2+]CC(C)(C)c3cccs3)cs2)cc1 ZINC000603949607 568186909 /nfs/dbraw/zinc/18/69/09/568186909.db2.gz OJVDUWCLPPESSR-UHFFFAOYSA-N 1 0 358.532 4.948 20 0 FJADRO CC(C)c1cc(CNCC2=Cc3cc(Cl)cc(Cl)c3OC2)on1 ZINC000603949993 568187063 /nfs/dbraw/zinc/18/70/63/568187063.db2.gz MEJVIERELAMWNI-UHFFFAOYSA-N 1 0 353.249 4.670 20 0 FJADRO Cc1ccc(COc2ccc(CNCc3cc(C(C)C)no3)cc2)cc1 ZINC000603950014 568187073 /nfs/dbraw/zinc/18/70/73/568187073.db2.gz PIJYQFKWPZXFGU-UHFFFAOYSA-N 1 0 350.462 4.975 20 0 FJADRO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000122163271 568200336 /nfs/dbraw/zinc/20/03/36/568200336.db2.gz MYMGYMNNCVCLRS-OLZOCXBDSA-N 1 0 371.424 4.521 20 0 FJADRO c1coc(-c2nc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)cs2)c1 ZINC000604041491 568203138 /nfs/dbraw/zinc/20/31/38/568203138.db2.gz RMYXVJOMZLAURY-CQSZACIVSA-N 1 0 365.458 4.924 20 0 FJADRO Cc1cc(-c2noc([C@@H](C)[NH2+]CC(C)(C)Oc3ccccc3)n2)ccc1F ZINC000604065285 568205339 /nfs/dbraw/zinc/20/53/39/568205339.db2.gz CXFSRNFOMGNOJN-OAHLLOKOSA-N 1 0 369.440 4.692 20 0 FJADRO COc1ccc(C[NH2+]CCOc2ccccc2C(C)C)c(OC(F)F)c1 ZINC000604066611 568205554 /nfs/dbraw/zinc/20/55/54/568205554.db2.gz VMHMZOVZKONCQG-UHFFFAOYSA-N 1 0 365.420 4.589 20 0 FJADRO C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)cc1 ZINC000604067125 568205734 /nfs/dbraw/zinc/20/57/34/568205734.db2.gz UXLWIPGOFRFXHL-LBPRGKRZSA-N 1 0 362.260 4.937 20 0 FJADRO CC(C)(C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)Oc1ccccc1 ZINC000604081888 568209227 /nfs/dbraw/zinc/20/92/27/568209227.db2.gz WXMKMTRRESVAGD-UHFFFAOYSA-N 1 0 353.384 4.575 20 0 FJADRO Cc1ccc(CCC2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000302928475 568217586 /nfs/dbraw/zinc/21/75/86/568217586.db2.gz DEXSEJMUDYILNA-UHFFFAOYSA-N 1 0 361.489 4.890 20 0 FJADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000563118111 568223529 /nfs/dbraw/zinc/22/35/29/568223529.db2.gz XYMZJQLFNYWVLP-XMMPIXPASA-N 1 0 358.485 4.653 20 0 FJADRO C[C@H]1CN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c2ccccc21 ZINC000604205072 568228352 /nfs/dbraw/zinc/22/83/52/568228352.db2.gz JJJNAATVYZUEIV-RXVVDRJESA-N 1 0 363.505 4.547 20 0 FJADRO CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000604318690 568246577 /nfs/dbraw/zinc/24/65/77/568246577.db2.gz WYTVWHOPVNHJFJ-NRFANRHFSA-N 1 0 350.591 4.808 20 0 FJADRO O=C(CCC1CC1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000604310267 568248213 /nfs/dbraw/zinc/24/82/13/568248213.db2.gz QUWKYUAOQINRCS-UHFFFAOYSA-N 1 0 362.517 4.756 20 0 FJADRO CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1Br)c1cccnc1 ZINC000563124130 568250583 /nfs/dbraw/zinc/25/05/83/568250583.db2.gz HUZUGBUODKHOPA-MRXNPFEDSA-N 1 0 353.691 4.984 20 0 FJADRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000303187973 568256306 /nfs/dbraw/zinc/25/63/06/568256306.db2.gz UUPHNIIKSJBEER-HNNXBMFYSA-N 1 0 350.840 4.543 20 0 FJADRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000303156512 568256927 /nfs/dbraw/zinc/25/69/27/568256927.db2.gz OQQIWGMSAQLOHG-HNNXBMFYSA-N 1 0 365.304 4.618 20 0 FJADRO CO[C@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccccc1 ZINC000303208778 568257592 /nfs/dbraw/zinc/25/75/92/568257592.db2.gz ZSCYPUNYOQPVER-GOSISDBHSA-N 1 0 364.272 4.747 20 0 FJADRO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(F)c(Br)c2)s1 ZINC000303257920 568260260 /nfs/dbraw/zinc/26/02/60/568260260.db2.gz CIVWLPCVWRQSFM-JTQLQIEISA-N 1 0 357.292 4.855 20 0 FJADRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000563130468 568262168 /nfs/dbraw/zinc/26/21/68/568262168.db2.gz OWKJOAOLSNSPQM-VXGBXAGGSA-N 1 0 370.349 4.676 20 0 FJADRO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)s1 ZINC000303286762 568264416 /nfs/dbraw/zinc/26/44/16/568264416.db2.gz KAJQCPYFPCPICV-LBPRGKRZSA-N 1 0 358.429 4.894 20 0 FJADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000604346941 568264658 /nfs/dbraw/zinc/26/46/58/568264658.db2.gz DYWMCUNKNSFBAS-NSHDSACASA-N 1 0 371.333 4.622 20 0 FJADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(C)(C)c3cccs3)cc2)C1 ZINC000303634231 568268259 /nfs/dbraw/zinc/26/82/59/568268259.db2.gz PGKFKSGRTWXLGO-QGZVFWFLSA-N 1 0 370.562 4.574 20 0 FJADRO Clc1ccc(-c2ccc(C[NH2+]CCOC[C@@H]3CCCO3)o2)cc1Cl ZINC000604417279 568275397 /nfs/dbraw/zinc/27/53/97/568275397.db2.gz UPIMCZSSGYKTSL-HNNXBMFYSA-N 1 0 370.276 4.539 20 0 FJADRO COc1ccc2cc(C[NH2+]C[C@@H](c3c(F)cccc3F)N(C)C)ccc2c1 ZINC000604417305 568275401 /nfs/dbraw/zinc/27/54/01/568275401.db2.gz WOHBBPMLMNQSJX-NRFANRHFSA-N 1 0 370.443 4.519 20 0 FJADRO CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)ccc1OC ZINC000604417267 568275434 /nfs/dbraw/zinc/27/54/34/568275434.db2.gz STEKTPNMJXHREY-AZUAARDMSA-N 1 0 368.521 4.631 20 0 FJADRO CCC[N@H+](CC)Cc1ccc(C(=O)N(CC)[C@H](C)c2cccnc2)cc1 ZINC000604362273 568275703 /nfs/dbraw/zinc/27/57/03/568275703.db2.gz CHPFSTQYUMVRNR-GOSISDBHSA-N 1 0 353.510 4.537 20 0 FJADRO COC1CCN(C(C)(C)C[NH2+]Cc2cccc(-c3ccccc3C)c2)CC1 ZINC000518796684 568276345 /nfs/dbraw/zinc/27/63/45/568276345.db2.gz RNMADZOBFLLAJK-UHFFFAOYSA-N 1 0 366.549 4.641 20 0 FJADRO Cc1ccc(C[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C)c2)c2ccccn2)cc1 ZINC000604414098 568278722 /nfs/dbraw/zinc/27/87/22/568278722.db2.gz WXWDXOBPBZVRBC-XXBNENTESA-N 1 0 373.500 4.599 20 0 FJADRO CC(C)([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(Br)cc1 ZINC000319690262 568279191 /nfs/dbraw/zinc/27/91/91/568279191.db2.gz BOVJBDFHWFFCBL-UHFFFAOYSA-N 1 0 370.294 4.660 20 0 FJADRO Cc1ccc(-c2ncc(C[NH2+][C@@H](C)COc3ccc(F)cc3F)s2)cc1 ZINC000604415234 568280387 /nfs/dbraw/zinc/28/03/87/568280387.db2.gz HYFYSLBOQQQAMD-AWEZNQCLSA-N 1 0 374.456 4.954 20 0 FJADRO COc1ccc(CC[N@H+](Cc2noc3c2CCCC3)CC(C)(C)C)cc1 ZINC000604389930 568281896 /nfs/dbraw/zinc/28/18/96/568281896.db2.gz LVEXTHYRKDMDOX-UHFFFAOYSA-N 1 0 356.510 4.653 20 0 FJADRO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000604393207 568283273 /nfs/dbraw/zinc/28/32/73/568283273.db2.gz UVIYMFSPBAUCKW-UYAOXDASSA-N 1 0 350.506 4.935 20 0 FJADRO FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000604383707 568287453 /nfs/dbraw/zinc/28/74/53/568287453.db2.gz FOQVEELHNXRHIN-GASCZTMLSA-N 1 0 351.334 4.738 20 0 FJADRO CCc1ccc(CC[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000604383736 568287459 /nfs/dbraw/zinc/28/74/59/568287459.db2.gz HFJKCWDNGQSCTH-GJZGRUSLSA-N 1 0 353.350 4.854 20 0 FJADRO Brc1cccc2c1CC[C@H]2[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000152004238 568295638 /nfs/dbraw/zinc/29/56/38/568295638.db2.gz JKJDWFYCMHOJFK-SUMWQHHRSA-N 1 0 350.300 4.518 20 0 FJADRO CCN(Cc1ccccc1Cl)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000303517847 568296113 /nfs/dbraw/zinc/29/61/13/568296113.db2.gz YHIHSQNRKLHWED-UHFFFAOYSA-N 1 0 365.949 4.528 20 0 FJADRO C[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1cccc(Br)c1 ZINC000094368537 568296628 /nfs/dbraw/zinc/29/66/28/568296628.db2.gz LBMNPTAKFHSSIV-CZUORRHYSA-N 1 0 370.356 4.545 20 0 FJADRO CSCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000604477454 568299715 /nfs/dbraw/zinc/29/97/15/568299715.db2.gz DEWOJRGWTYRWQB-UHFFFAOYSA-N 1 0 363.486 4.738 20 0 FJADRO CSCC[NH2+]Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000604478465 568299976 /nfs/dbraw/zinc/29/99/76/568299976.db2.gz DEPFHOKSZZQRON-UHFFFAOYSA-N 1 0 371.937 4.704 20 0 FJADRO Fc1ccccc1CSCC[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000604479275 568300150 /nfs/dbraw/zinc/30/01/50/568300150.db2.gz KHLQEYYRGMVWLC-UHFFFAOYSA-N 1 0 358.507 4.972 20 0 FJADRO Cc1cc(C)c(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c(Cl)c1 ZINC000604610280 568326943 /nfs/dbraw/zinc/32/69/43/568326943.db2.gz RBUGJOXLTPSROI-UHFFFAOYSA-N 1 0 363.933 4.685 20 0 FJADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 ZINC000604628826 568330320 /nfs/dbraw/zinc/33/03/20/568330320.db2.gz WOLZHHBTGYWNOG-QZTJIDSGSA-N 1 0 369.509 4.678 20 0 FJADRO Cc1cccc([C@@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1C ZINC000604669483 568344587 /nfs/dbraw/zinc/34/45/87/568344587.db2.gz KRACDNMDFMKLSR-NHCUHLMSSA-N 1 0 371.569 4.662 20 0 FJADRO Cc1cccc([C@H](C)NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000604669827 568344707 /nfs/dbraw/zinc/34/47/07/568344707.db2.gz GRIJWTRETVLJRL-SFTDATJTSA-N 1 0 371.569 4.518 20 0 FJADRO C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000604698547 568351566 /nfs/dbraw/zinc/35/15/66/568351566.db2.gz WFPPFZWSXMUYMN-SFHVURJKSA-N 1 0 368.496 4.622 20 0 FJADRO CCSc1ccccc1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000604712613 568355079 /nfs/dbraw/zinc/35/50/79/568355079.db2.gz GEULZZUPCXRKHH-QGZVFWFLSA-N 1 0 368.546 4.754 20 0 FJADRO CCc1ccc([C@@H](C)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000604713750 568355155 /nfs/dbraw/zinc/35/51/55/568355155.db2.gz GTYWABDSNDFQPA-MOPGFXCFSA-N 1 0 364.533 4.694 20 0 FJADRO Cc1ccc(CCCC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000604713930 568355258 /nfs/dbraw/zinc/35/52/58/568355258.db2.gz CBRADQVFLIVPLH-FQEVSTJZSA-N 1 0 364.533 4.660 20 0 FJADRO CC(C)[C@H](CC1CCCC1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000604744981 568356047 /nfs/dbraw/zinc/35/60/47/568356047.db2.gz VMPIURXJNFUXLT-PKTZIBPZSA-N 1 0 370.581 4.520 20 0 FJADRO C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(F)c1 ZINC000604738956 568359155 /nfs/dbraw/zinc/35/91/55/568359155.db2.gz DCSFPCIIVYSBMN-SFHVURJKSA-N 1 0 368.496 4.622 20 0 FJADRO Cc1ccc([C@@H]2CSCCN2Cc2cnc3c(cnn3C(C)C)c2)cc1 ZINC000604761733 568361375 /nfs/dbraw/zinc/36/13/75/568361375.db2.gz ULNLYGLJHXCLLF-FQEVSTJZSA-N 1 0 366.534 4.611 20 0 FJADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000604766836 568362136 /nfs/dbraw/zinc/36/21/36/568362136.db2.gz UBGGRUPVLJZLGO-JOCHJYFZSA-N 1 0 356.469 4.528 20 0 FJADRO Cc1cc(C)c(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)cc1C ZINC000604767066 568362229 /nfs/dbraw/zinc/36/22/29/568362229.db2.gz BZDQBBBYORPJKK-IBGZPJMESA-N 1 0 351.412 4.628 20 0 FJADRO OC[C@H]([NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)c1cccc(F)c1 ZINC000604768437 568362610 /nfs/dbraw/zinc/36/26/10/568362610.db2.gz BQOPYLCQJLJOFY-NRFANRHFSA-N 1 0 373.374 4.719 20 0 FJADRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC000604769517 568362818 /nfs/dbraw/zinc/36/28/18/568362818.db2.gz HWIWJSJIQYFSAY-FCHUYYIVSA-N 1 0 350.506 4.527 20 0 FJADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000604773036 568363575 /nfs/dbraw/zinc/36/35/75/568363575.db2.gz DDDWPDZJPTWKFF-HXUWFJFHSA-N 1 0 351.881 4.908 20 0 FJADRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC000604772887 568363616 /nfs/dbraw/zinc/36/36/16/568363616.db2.gz UYCRTXMASBVEMV-YADHBBJMSA-N 1 0 350.506 4.527 20 0 FJADRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000604772939 568363628 /nfs/dbraw/zinc/36/36/28/568363628.db2.gz XCLFLWRPFJQTIL-JKSUJKDBSA-N 1 0 374.912 4.773 20 0 FJADRO Fc1cc(Br)ccc1CCC[NH2+]Cc1ccc2ncccc2c1 ZINC000604773285 568363696 /nfs/dbraw/zinc/36/36/96/568363696.db2.gz WTGHGIPDRPPSNT-UHFFFAOYSA-N 1 0 373.269 4.859 20 0 FJADRO CCC[N@H+](CC)Cc1ccc(C(=O)NC2(c3nccs3)CCCC2)cc1 ZINC000604751152 568364043 /nfs/dbraw/zinc/36/40/43/568364043.db2.gz WWSPWGVTUZJXTQ-UHFFFAOYSA-N 1 0 371.550 4.574 20 0 FJADRO CC(C)C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccs1 ZINC000604787746 568366896 /nfs/dbraw/zinc/36/68/96/568366896.db2.gz FGHQHRVVCIOWHX-NVXWUHKLSA-N 1 0 353.576 4.501 20 0 FJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H]2C2CCCC2)CC1 ZINC000604788352 568367040 /nfs/dbraw/zinc/36/70/40/568367040.db2.gz RTGPFMHYZHELDM-GCJKJVERSA-N 1 0 369.553 4.576 20 0 FJADRO CCC(CC)CN(CC)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000604788665 568367104 /nfs/dbraw/zinc/36/71/04/568367104.db2.gz WDVYAVBTCXQGER-GOSISDBHSA-N 1 0 359.558 4.680 20 0 FJADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000604788547 568367120 /nfs/dbraw/zinc/36/71/20/568367120.db2.gz MNVPBHGIODQFMS-MRXNPFEDSA-N 1 0 374.356 4.501 20 0 FJADRO CN(Cc1c(Cl)cccc1Cl)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000604788972 568367127 /nfs/dbraw/zinc/36/71/27/568367127.db2.gz VNUOGRGLNDBLHH-MRXNPFEDSA-N 1 0 374.356 4.501 20 0 FJADRO CC(C)CN(C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CCCC1 ZINC000604821960 568370137 /nfs/dbraw/zinc/37/01/37/568370137.db2.gz GIBRYASCSNXSCJ-IBGZPJMESA-N 1 0 371.569 4.822 20 0 FJADRO C[NH+](C)CC[C@H](NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C(C)(C)C ZINC000604827831 568374190 /nfs/dbraw/zinc/37/41/90/568374190.db2.gz ZLAGVJYTEXONGC-KRWDZBQOSA-N 1 0 374.529 4.613 20 0 FJADRO CC(C)[C@H]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000604827716 568376715 /nfs/dbraw/zinc/37/67/15/568376715.db2.gz XUXAGZRBKKAHOW-UXHICEINSA-N 1 0 371.569 4.680 20 0 FJADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC000604861253 568379301 /nfs/dbraw/zinc/37/93/01/568379301.db2.gz NRKRTDXJWCMHFP-LJQANCHMSA-N 1 0 374.594 4.720 20 0 FJADRO Cc1ccc(OC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000604885339 568380806 /nfs/dbraw/zinc/38/08/06/568380806.db2.gz GPYBLVULDPUBCN-UHFFFAOYSA-N 1 0 372.896 4.520 20 0 FJADRO C[C@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000604892084 568381995 /nfs/dbraw/zinc/38/19/95/568381995.db2.gz JGHLUCKTIJNQDE-QGZVKYPTSA-N 1 0 370.562 4.705 20 0 FJADRO CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1cccs1)C(C)C ZINC000604892606 568383139 /nfs/dbraw/zinc/38/31/39/568383139.db2.gz YVHFPCZPGKXZCJ-HKUYNNGSSA-N 1 0 358.551 4.655 20 0 FJADRO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)c1ccccc1 ZINC000604884125 568384411 /nfs/dbraw/zinc/38/44/11/568384411.db2.gz XPYNFSBGSQHBCF-HNNXBMFYSA-N 1 0 364.411 4.770 20 0 FJADRO Cc1oc(-c2ccccc2)nc1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000604903134 568385486 /nfs/dbraw/zinc/38/54/86/568385486.db2.gz PBQZQWIFIYETOM-UHFFFAOYSA-N 1 0 350.437 4.996 20 0 FJADRO CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000604916755 568389401 /nfs/dbraw/zinc/38/94/01/568389401.db2.gz GGMGBECGUJIAEE-LJQANCHMSA-N 1 0 367.537 4.649 20 0 FJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC(C)(C)c2cccs2)CC1 ZINC000604920713 568390352 /nfs/dbraw/zinc/39/03/52/568390352.db2.gz GVEJLSOTXGCTOC-MRXNPFEDSA-N 1 0 371.550 4.508 20 0 FJADRO C[NH+](C)Cc1ccccc1CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000006992508 568413027 /nfs/dbraw/zinc/41/30/27/568413027.db2.gz UPLQGWKBFOJWDQ-UHFFFAOYSA-N 1 0 372.512 4.587 20 0 FJADRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2Br ZINC000319743195 568414203 /nfs/dbraw/zinc/41/42/03/568414203.db2.gz RCDFUQDIIIBLJL-GTNSWQLSSA-N 1 0 364.258 4.935 20 0 FJADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2SCc2cccs2)CC1 ZINC000365304269 568463004 /nfs/dbraw/zinc/46/30/04/568463004.db2.gz HUBQZGGIHWEHRD-INIZCTEOSA-N 1 0 374.575 4.597 20 0 FJADRO Cn1cc([C@@H]([NH2+]CCc2cccc(Cl)c2Cl)c2ccccc2)cn1 ZINC000432693567 568474668 /nfs/dbraw/zinc/47/46/68/568474668.db2.gz PRVDABJTBJVOKK-IBGZPJMESA-N 1 0 360.288 4.649 20 0 FJADRO CCOc1cc(C[NH2+]C(C)(C)c2cccc(F)c2)cc(Cl)c1OC ZINC000236910100 568497921 /nfs/dbraw/zinc/49/79/21/568497921.db2.gz KIDANWYPGNTFBW-UHFFFAOYSA-N 1 0 351.849 4.911 20 0 FJADRO Fc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000433094677 568504736 /nfs/dbraw/zinc/50/47/36/568504736.db2.gz AJIZSWRURHRFCE-UZLBHIALSA-N 1 0 356.510 4.869 20 0 FJADRO CC[C@@H]1CCC[N@H+](Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)CC1 ZINC000604998767 568512305 /nfs/dbraw/zinc/51/23/05/568512305.db2.gz ACDXRIFLWQGWRW-MRXNPFEDSA-N 1 0 366.465 4.712 20 0 FJADRO c1ccc(COc2cccc(C[NH2+]C[C@H]3CCc4ccccc4C3)c2)nc1 ZINC000605008528 568515971 /nfs/dbraw/zinc/51/59/71/568515971.db2.gz CSFRMJMQNYQBLV-FQEVSTJZSA-N 1 0 358.485 4.555 20 0 FJADRO CCC[NH+]1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000007468562 568520665 /nfs/dbraw/zinc/52/06/65/568520665.db2.gz MEMNNMLQQLWRCI-UHFFFAOYSA-N 1 0 370.497 4.784 20 0 FJADRO Cc1cc(-c2noc([C@H](C)[NH2+]C[C@@H]3CCc4ccccc4C3)n2)ccc1F ZINC000605007998 568521052 /nfs/dbraw/zinc/52/10/52/568521052.db2.gz PCXOOFWJMSYCJH-JKSUJKDBSA-N 1 0 365.452 4.640 20 0 FJADRO C[C@H](c1ccccc1)N(C)C(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000007496933 568523045 /nfs/dbraw/zinc/52/30/45/568523045.db2.gz RJLWOZWTKFCVOG-LJQANCHMSA-N 1 0 358.485 4.585 20 0 FJADRO CCCCCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605102762 568566253 /nfs/dbraw/zinc/56/62/53/568566253.db2.gz LBARDHMTTDSFTJ-APWZRJJASA-N 1 0 370.459 4.785 20 0 FJADRO CC(C)CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605102808 568566291 /nfs/dbraw/zinc/56/62/91/568566291.db2.gz GQJPMMIBNLKDJM-LPHOPBHVSA-N 1 0 370.459 4.641 20 0 FJADRO CC(C)CCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605102810 568566328 /nfs/dbraw/zinc/56/63/28/568566328.db2.gz GQJPMMIBNLKDJM-VQIMIIECSA-N 1 0 370.459 4.641 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)Nc2nc3ccsc3s2)cc1)C1CC1 ZINC000605115784 568572395 /nfs/dbraw/zinc/57/23/95/568572395.db2.gz CCSVYSZOPSDDQA-UHFFFAOYSA-N 1 0 357.504 4.594 20 0 FJADRO Cc1cccc([C@H]2CCCCC[N@H+]2Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000605157006 568588560 /nfs/dbraw/zinc/58/85/60/568588560.db2.gz DLBWJWGAMFEUAO-HXUWFJFHSA-N 1 0 366.534 4.969 20 0 FJADRO Cc1ccc(-c2ccc(C[NH2+]CCc3csc(N4CCCC4)n3)o2)cc1 ZINC000605165042 568593390 /nfs/dbraw/zinc/59/33/90/568593390.db2.gz FOXYVMPCKASKRS-UHFFFAOYSA-N 1 0 367.518 4.644 20 0 FJADRO CCOc1cc(C[NH2+][C@@H]2CSc3ccccc32)ccc1OC(F)F ZINC000605165909 568594347 /nfs/dbraw/zinc/59/43/47/568594347.db2.gz FRRDRQBMOCYBNJ-CQSZACIVSA-N 1 0 351.418 4.623 20 0 FJADRO CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCS[C@H](c2ccccc2)C1 ZINC000605155484 568600347 /nfs/dbraw/zinc/60/03/47/568600347.db2.gz RYHIZXLAQWZTEO-UTKZUKDTSA-N 1 0 368.546 4.927 20 0 FJADRO Cc1cccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)COCc2cccs2)c1 ZINC000605187805 568615202 /nfs/dbraw/zinc/61/52/02/568615202.db2.gz QKPIQGQXHZSFSB-TZIWHRDSSA-N 1 0 359.535 4.551 20 0 FJADRO Cc1nc2scc(CC(C)C)c2c(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000606156411 568676307 /nfs/dbraw/zinc/67/63/07/568676307.db2.gz LRTJDCAMTYMPMN-GOSISDBHSA-N 1 0 372.582 4.653 20 0 FJADRO CCc1ccc([C@@H](C)CC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000606161035 568679954 /nfs/dbraw/zinc/67/99/54/568679954.db2.gz AJARQDODJFRAKD-GHTZIAJQSA-N 1 0 368.521 4.679 20 0 FJADRO CCc1ccc([C@H](C)CC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000606161038 568680108 /nfs/dbraw/zinc/68/01/08/568680108.db2.gz AJARQDODJFRAKD-WIYYLYMNSA-N 1 0 368.521 4.679 20 0 FJADRO CCc1ccc([C@H](C)CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000606161036 568680127 /nfs/dbraw/zinc/68/01/27/568680127.db2.gz AJARQDODJFRAKD-NQIIRXRSSA-N 1 0 368.521 4.679 20 0 FJADRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cccs1 ZINC000606177584 568692946 /nfs/dbraw/zinc/69/29/46/568692946.db2.gz UCTYAJHDEZIVDM-SJORKVTESA-N 1 0 356.535 4.542 20 0 FJADRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000606173113 568705302 /nfs/dbraw/zinc/70/53/02/568705302.db2.gz OOEVTOIHACXQDS-AWEZNQCLSA-N 1 0 364.411 4.584 20 0 FJADRO C[NH+](C)CCc1ccc(NC(=O)c2cccc(OC3CCCCC3)c2)cc1 ZINC000606190042 568710733 /nfs/dbraw/zinc/71/07/33/568710733.db2.gz XENRKQKBANRYEK-UHFFFAOYSA-N 1 0 366.505 4.755 20 0 FJADRO C[NH+](C)CCc1ccc(NC(=O)C2(c3cccs3)CCCCC2)cc1 ZINC000606189924 568710774 /nfs/dbraw/zinc/71/07/74/568710774.db2.gz QOLUHCCJZOUVAI-UHFFFAOYSA-N 1 0 356.535 4.693 20 0 FJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164386605 718803700 /nfs/dbraw/zinc/80/37/00/718803700.db2.gz AQMNCDZXJFRLEA-UHFFFAOYSA-N 1 0 365.855 4.546 20 0 FJADRO C[N@H+](Cc1ccc(N2CCC3(CCCc4ccccc43)CC2)nc1)C1CC1 ZINC001164386818 718814111 /nfs/dbraw/zinc/81/41/11/718814111.db2.gz AQKBWFYSWMLXPN-UHFFFAOYSA-N 1 0 361.533 4.550 20 0 FJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CCCCC12CC[NH2+]CC2 ZINC001164419494 718911249 /nfs/dbraw/zinc/91/12/49/718911249.db2.gz BBRGEPKIMXUGCO-UHFFFAOYSA-N 1 0 365.855 4.546 20 0 FJADRO Clc1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)c(-c2ccccc2)nn1 ZINC001165046533 721970557 /nfs/dbraw/zinc/97/05/57/721970557.db2.gz GSDOFVFUTDUCQJ-SFHVURJKSA-N 1 0 370.928 4.642 20 0 FJADRO Cc1ccc(C)c(-c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nn2)c1 ZINC001165047937 721976559 /nfs/dbraw/zinc/97/65/59/721976559.db2.gz HNXBMGZKVFOCGA-FQEVSTJZSA-N 1 0 364.537 4.605 20 0 FJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nccc4ccccc42)C3)c1 ZINC001164994920 722193859 /nfs/dbraw/zinc/19/38/59/722193859.db2.gz QSOMAWCAKYZGHC-HSZRJFAPSA-N 1 0 361.464 4.619 20 0 FJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc4ccccc4cn2)C3)c1 ZINC001164993671 722194936 /nfs/dbraw/zinc/19/49/36/722194936.db2.gz HFGFKSNECLHYRI-HSZRJFAPSA-N 1 0 361.464 4.619 20 0 FJADRO CC(C)c1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164997296 722201091 /nfs/dbraw/zinc/20/10/91/722201091.db2.gz YTBWWUVBNQHXAF-QFIPXVFZSA-N 1 0 353.485 4.589 20 0 FJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc4ccsc4cn2)C3)c1 ZINC001164996667 722203356 /nfs/dbraw/zinc/20/33/56/722203356.db2.gz UZNUSRPSGRHLFC-NRFANRHFSA-N 1 0 367.493 4.680 20 0 FJADRO c1sc(-c2ccccc2)nc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000040379602 205067393 /nfs/dbraw/zinc/06/73/93/205067393.db2.gz ZMOCGHDTKYJBPC-UHFFFAOYSA-N 1 0 362.498 4.832 20 0 FJADRO C[C@H]([NH2+]C1(CNC(=O)CCc2ccc(F)cc2)CCCC1)c1ccccc1 ZINC000078594279 205627066 /nfs/dbraw/zinc/62/70/66/205627066.db2.gz JDVVJFKTPLTKFM-SFHVURJKSA-N 1 0 368.496 4.538 20 0 FJADRO O=C(c1cccc2ccccc21)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000108576000 206033988 /nfs/dbraw/zinc/03/39/88/206033988.db2.gz AEMGUBKVTYUFNO-UHFFFAOYSA-N 1 0 350.506 4.568 20 0 FJADRO O=C(Cc1ccc2ccccc2c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000109350808 206054230 /nfs/dbraw/zinc/05/42/30/206054230.db2.gz KEKSIKSEXATPBG-UHFFFAOYSA-N 1 0 364.533 4.543 20 0 FJADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)s2)c1 ZINC000038002091 211344573 /nfs/dbraw/zinc/34/45/73/211344573.db2.gz JZZQTCXSNNYINX-GHMZBOCLSA-N 1 0 367.312 4.881 20 0 FJADRO COc1cccc2cc(C[NH2+]Cc3ccc(Br)s3)oc21 ZINC000037985189 211337547 /nfs/dbraw/zinc/33/75/47/211337547.db2.gz ZBWGCAYSJJFUOZ-UHFFFAOYSA-N 1 0 352.253 4.555 20 0 FJADRO Fc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Br)cs1)CCS2 ZINC000035043811 210357590 /nfs/dbraw/zinc/35/75/90/210357590.db2.gz ZBWPTGDURGZQQR-CYBMUJFWSA-N 1 0 358.301 4.976 20 0 FJADRO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000097205963 222168231 /nfs/dbraw/zinc/16/82/31/222168231.db2.gz LIUUZJLQIFDNSH-STQMWFEESA-N 1 0 368.374 4.831 20 0 FJADRO Cc1cc(C)c(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c(C)c1 ZINC000043150679 567850911 /nfs/dbraw/zinc/85/09/11/567850911.db2.gz UVKDSUDUGDQCEY-HXUWFJFHSA-N 1 0 351.494 4.570 20 0 FJADRO c1nn(Cc2ccccc2)cc1C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000061556322 567867381 /nfs/dbraw/zinc/86/73/81/567867381.db2.gz PJGMOSOPIOCCEK-UHFFFAOYSA-N 1 0 351.453 4.791 20 0 FJADRO C[NH+]1CCC(N(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c2ccccc2)CC1 ZINC000601963942 567888440 /nfs/dbraw/zinc/88/84/40/567888440.db2.gz YKDFLTFIPRQBSO-VQTJNVASSA-N 1 0 368.908 4.571 20 0 FJADRO C[NH+]1CCC(N(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c2ccccc2)CC1 ZINC000601963940 567888509 /nfs/dbraw/zinc/88/85/09/567888509.db2.gz YKDFLTFIPRQBSO-UXHICEINSA-N 1 0 368.908 4.571 20 0 FJADRO C[NH+]1CCC(N(C(=O)c2cc3c(s2)CCCCC3)c2ccccc2)CC1 ZINC000601967825 567889301 /nfs/dbraw/zinc/88/93/01/567889301.db2.gz LCCOMJKHIYFPHE-UHFFFAOYSA-N 1 0 368.546 4.758 20 0 FJADRO C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1cc(Cl)ccc1Cl ZINC000186181866 567890472 /nfs/dbraw/zinc/89/04/72/567890472.db2.gz ZLYRPLRXHHGEMM-CYBMUJFWSA-N 1 0 371.352 4.929 20 0 FJADRO Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000014931431 567912603 /nfs/dbraw/zinc/91/26/03/567912603.db2.gz UHFOZTBIGFHMQN-HNNXBMFYSA-N 1 0 364.411 4.781 20 0 FJADRO CC[C@H](Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000602076556 567917338 /nfs/dbraw/zinc/91/73/38/567917338.db2.gz GJWAJOVIKBXZOX-HSZRJFAPSA-N 1 0 364.533 4.558 20 0 FJADRO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000602251754 567959819 /nfs/dbraw/zinc/95/98/19/567959819.db2.gz LNSBSTBPXNVLBI-GOSISDBHSA-N 1 0 352.507 4.738 20 0 FJADRO C[C@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)c1nccs1 ZINC000186753265 567979704 /nfs/dbraw/zinc/97/97/04/567979704.db2.gz QPPUDPHTFGXNIE-RISCZKNCSA-N 1 0 367.312 4.513 20 0 FJADRO CC[C@@H](C)Oc1cccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000064027919 567993740 /nfs/dbraw/zinc/99/37/40/567993740.db2.gz METVIFHTMISRMT-QGZVFWFLSA-N 1 0 352.478 4.712 20 0 FJADRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000602584127 567994212 /nfs/dbraw/zinc/99/42/12/567994212.db2.gz PAXMFJWMNWUKRZ-GCJKJVERSA-N 1 0 357.501 4.612 20 0 FJADRO C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000602879898 568004107 /nfs/dbraw/zinc/00/41/07/568004107.db2.gz HOHLNVOBMBTRMU-MSOLQXFVSA-N 1 0 352.522 4.775 20 0 FJADRO CC(F)(F)c1cccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000187032096 568005051 /nfs/dbraw/zinc/00/50/51/568005051.db2.gz AMAXXUGWAPFRLN-UHFFFAOYSA-N 1 0 365.468 4.717 20 0 FJADRO CC[N@H+](CC1CCOCC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000602870183 568009006 /nfs/dbraw/zinc/00/90/06/568009006.db2.gz LQHLMJJOPIDQAP-INIZCTEOSA-N 1 0 370.356 4.735 20 0 FJADRO FC(F)Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000602909559 568010884 /nfs/dbraw/zinc/01/08/84/568010884.db2.gz YSAZLQKSOLFJHJ-LBPRGKRZSA-N 1 0 353.796 4.597 20 0 FJADRO C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000602910967 568011228 /nfs/dbraw/zinc/01/12/28/568011228.db2.gz PWWILIPXICECHO-AWEZNQCLSA-N 1 0 360.876 4.686 20 0 FJADRO Cc1ccccc1[C@@H]([NH2+]Cc1cnc(N(C)C)nc1)C1CCC(C)CC1 ZINC000602911649 568011335 /nfs/dbraw/zinc/01/13/35/568011335.db2.gz IJAZCQZPXCSQSH-IOYBJCICSA-N 1 0 352.526 4.508 20 0 FJADRO Cc1cc2c(cc1C)[C@@H]([NH2+][C@H](C)c1ccc(-n3cncn3)cc1)CCS2 ZINC000186937025 568017629 /nfs/dbraw/zinc/01/76/29/568017629.db2.gz GKAYOEAVJHHQPE-UZLBHIALSA-N 1 0 364.518 4.772 20 0 FJADRO CCC[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000461108921 568022261 /nfs/dbraw/zinc/02/22/61/568022261.db2.gz MHJRVYRZEOZARA-QZTJIDSGSA-N 1 0 360.325 4.602 20 0 FJADRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccnc(N3CCCC3)c1)CCS2 ZINC000186979805 568034267 /nfs/dbraw/zinc/03/42/67/568034267.db2.gz JSPMYCTWNCCJJW-IBGZPJMESA-N 1 0 353.535 4.625 20 0 FJADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cccc(C(C)(F)F)c2)CC1 ZINC000186981144 568034794 /nfs/dbraw/zinc/03/47/94/568034794.db2.gz IIZDERPHALDMJZ-UHFFFAOYSA-N 1 0 367.484 4.774 20 0 FJADRO COCCOc1ccc(C[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)cc1 ZINC000186998918 568047684 /nfs/dbraw/zinc/04/76/84/568047684.db2.gz KJIIKRSTLSTRRS-HXUWFJFHSA-N 1 0 357.519 4.655 20 0 FJADRO O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150829264 568060455 /nfs/dbraw/zinc/06/04/55/568060455.db2.gz DRYBWMSKMYGYQM-HXUWFJFHSA-N 1 0 364.489 4.569 20 0 FJADRO Cc1c([C@@H](C)[NH2+]Cc2ccc(Oc3ccccc3F)c(F)c2)cnn1C ZINC000065890716 568063593 /nfs/dbraw/zinc/06/35/93/568063593.db2.gz NSLOFEFEQLWQCB-CYBMUJFWSA-N 1 0 357.404 4.650 20 0 FJADRO Clc1ccc(CN2CCC([NH2+]Cc3ccc4ncccc4c3)CC2)cc1 ZINC000066403522 568067018 /nfs/dbraw/zinc/06/70/18/568067018.db2.gz UQGHJLUDIPDWPQ-UHFFFAOYSA-N 1 0 365.908 4.642 20 0 FJADRO COc1cc(C[NH2+][C@H](C)c2cccc(Cl)c2)cc(Br)c1O ZINC000021057882 568073503 /nfs/dbraw/zinc/07/35/03/568073503.db2.gz OEJZWLWNKQDJOX-SNVBAGLBSA-N 1 0 370.674 4.668 20 0 FJADRO COc1cc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)ccc1OC(F)F ZINC000067690204 568080724 /nfs/dbraw/zinc/08/07/24/568080724.db2.gz MVZSPYYEYDDIOS-LLVKDONJSA-N 1 0 373.346 4.749 20 0 FJADRO C[C@H](NC(=O)c1cc2sc3ccccc3c2s1)C1CC[NH+](C)CC1 ZINC000603321454 568087811 /nfs/dbraw/zinc/08/78/11/568087811.db2.gz JYHMUPJGHDIINZ-LBPRGKRZSA-N 1 0 358.532 4.576 20 0 FJADRO Clc1cnc2oc(CNc3ccccc3C[NH+]3CCSCC3)cc2c1 ZINC000648395391 568095527 /nfs/dbraw/zinc/09/55/27/568095527.db2.gz VZJHAJSFTLSJCX-UHFFFAOYSA-N 1 0 373.909 4.642 20 0 FJADRO CCSc1ccccc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000603450967 568099426 /nfs/dbraw/zinc/09/94/26/568099426.db2.gz KIKDQUOGWXKZBM-UHFFFAOYSA-N 1 0 368.546 4.535 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)c2cc(Cl)cc(Cl)c2)o1 ZINC000603453400 568099991 /nfs/dbraw/zinc/09/99/91/568099991.db2.gz IQQZRMICYAUXCW-UHFFFAOYSA-N 1 0 355.265 4.705 20 0 FJADRO C[C@H]([NH2+]C1(CNC(=O)c2cc3ccsc3[nH]2)CCCC1)c1ccccc1 ZINC000603471431 568103199 /nfs/dbraw/zinc/10/31/99/568103199.db2.gz YTDXFZXCCGIZEL-HNNXBMFYSA-N 1 0 367.518 4.623 20 0 FJADRO CCCN(CCc1cccc(F)c1)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000603457011 568104423 /nfs/dbraw/zinc/10/44/23/568104423.db2.gz TVSGYSBQMCULDI-UHFFFAOYSA-N 1 0 370.512 4.762 20 0 FJADRO CCCCCOc1ccc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)cc1 ZINC000603519014 568109164 /nfs/dbraw/zinc/10/91/64/568109164.db2.gz UVNWLGHFKCRNEB-HXUWFJFHSA-N 1 0 355.478 4.878 20 0 FJADRO CC[C@@H]([NH2+]Cc1cc(OC)c(O)cc1Br)c1ccc(F)cc1 ZINC000603513698 568111146 /nfs/dbraw/zinc/11/11/46/568111146.db2.gz WGTLMUJVTNOOGS-OAHLLOKOSA-N 1 0 368.246 4.543 20 0 FJADRO COc1cc(C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)c(Br)cc1O ZINC000603513473 568111186 /nfs/dbraw/zinc/11/11/86/568111186.db2.gz QRJPENXEDHZGRS-BDJLRTHQSA-N 1 0 362.267 4.501 20 0 FJADRO CC[C@H]([NH2+]Cc1cc(OC)c(O)cc1Br)c1ccc(F)cc1 ZINC000603513694 568111214 /nfs/dbraw/zinc/11/12/14/568111214.db2.gz WGTLMUJVTNOOGS-HNNXBMFYSA-N 1 0 368.246 4.543 20 0 FJADRO Clc1ccc(OCc2cccnc2)c(C[NH2+]CC2CCSCC2)c1 ZINC000603515099 568111415 /nfs/dbraw/zinc/11/14/15/568111415.db2.gz IYAIXZCQFHZGNE-UHFFFAOYSA-N 1 0 362.926 4.547 20 0 FJADRO Clc1ccc(OCc2nc(C[NH2+]CC3CCSCC3)cs2)cc1 ZINC000603515127 568111421 /nfs/dbraw/zinc/11/14/21/568111421.db2.gz OSZFSANHLYUFJS-UHFFFAOYSA-N 1 0 368.955 4.608 20 0 FJADRO COc1ccc2[nH]cc(CC[NH2+]Cc3csc(-c4cccs4)n3)c2c1 ZINC000603516164 568111613 /nfs/dbraw/zinc/11/16/13/568111613.db2.gz MNWZWTMSJCVQLD-UHFFFAOYSA-N 1 0 369.515 4.694 20 0 FJADRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc4cc(OC)ccc4c3)c2c1 ZINC000603516144 568111631 /nfs/dbraw/zinc/11/16/31/568111631.db2.gz MRINTGWTLTYXDJ-UHFFFAOYSA-N 1 0 360.457 4.671 20 0 FJADRO COc1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)cc1OCCC(C)C ZINC000603516459 568111652 /nfs/dbraw/zinc/11/16/52/568111652.db2.gz UJGSSGHTOLYEPR-HSZRJFAPSA-N 1 0 369.505 4.524 20 0 FJADRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)[C@@H]1CCC[C@H](C)C1 ZINC000603517139 568111768 /nfs/dbraw/zinc/11/17/68/568111768.db2.gz VSTVUEVPZCMGRS-XVWGUNQUSA-N 1 0 364.533 4.680 20 0 FJADRO c1nn2ccccc2c1C[NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000603518673 568112130 /nfs/dbraw/zinc/11/21/30/568112130.db2.gz IQIIVUKNXGQCHF-NRFANRHFSA-N 1 0 355.441 4.615 20 0 FJADRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000603518897 568112848 /nfs/dbraw/zinc/11/28/48/568112848.db2.gz PDFBQFOISDSPRS-FQEVSTJZSA-N 1 0 355.478 4.734 20 0 FJADRO Clc1ccc2nc(C[NH2+][C@H](c3cccnc3)C3CCCCC3)cn2c1 ZINC000603556892 568116817 /nfs/dbraw/zinc/11/68/17/568116817.db2.gz HMVVOLZUXVXDRM-FQEVSTJZSA-N 1 0 354.885 4.794 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000603668805 568132886 /nfs/dbraw/zinc/13/28/86/568132886.db2.gz CLTRQVCAPUJQFS-MRXNPFEDSA-N 1 0 374.550 4.538 20 0 FJADRO Cc1ccc(NC(=O)CSc2ccc(C(C)C)cc2)c(C[NH+](C)C)c1 ZINC000603694835 568136711 /nfs/dbraw/zinc/13/67/11/568136711.db2.gz CLFDUPVZFALTFO-UHFFFAOYSA-N 1 0 356.535 4.911 20 0 FJADRO CCn1c(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)nc2ccccc21 ZINC000603723646 568142168 /nfs/dbraw/zinc/14/21/68/568142168.db2.gz UCNMHSXWQIYDEK-JOCHJYFZSA-N 1 0 363.505 4.630 20 0 FJADRO C[C@H](c1ccncc1)[N@H+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC000603941832 568185157 /nfs/dbraw/zinc/18/51/57/568185157.db2.gz VNNMBHUKHMJLQU-LJQANCHMSA-N 1 0 362.473 4.732 20 0 FJADRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000603943687 568185623 /nfs/dbraw/zinc/18/56/23/568185623.db2.gz BZNDQPDVXSURSJ-HSZRJFAPSA-N 1 0 362.517 4.822 20 0 FJADRO CC[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1OC ZINC000603944358 568185799 /nfs/dbraw/zinc/18/57/99/568185799.db2.gz LLYMDFIJXCMWRE-IBGZPJMESA-N 1 0 372.896 4.687 20 0 FJADRO CC[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1SC ZINC000603944049 568185826 /nfs/dbraw/zinc/18/58/26/568185826.db2.gz FVPLRGMVRIELFK-LJQANCHMSA-N 1 0 354.519 4.747 20 0 FJADRO CCSCc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000603949271 568186855 /nfs/dbraw/zinc/18/68/55/568186855.db2.gz AKVJUWIMBROBKX-SFHVURJKSA-N 1 0 374.575 4.568 20 0 FJADRO FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+]CCC1CCOCC1 ZINC000603949276 568186876 /nfs/dbraw/zinc/18/68/76/568186876.db2.gz NFCBGQOHERQDGR-UHFFFAOYSA-N 1 0 354.224 4.501 20 0 FJADRO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000604042644 568203312 /nfs/dbraw/zinc/20/33/12/568203312.db2.gz PMURLOLAZISXCP-GOSISDBHSA-N 1 0 356.473 4.799 20 0 FJADRO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000604042645 568203331 /nfs/dbraw/zinc/20/33/31/568203331.db2.gz PMURLOLAZISXCP-SFHVURJKSA-N 1 0 356.473 4.799 20 0 FJADRO CCCC[N@H+](Cc1nc(-c2ccccn2)no1)[C@H](CC)c1ccccc1 ZINC000604052857 568206878 /nfs/dbraw/zinc/20/68/78/568206878.db2.gz SLFKFYAFGNXFGR-LJQANCHMSA-N 1 0 350.466 4.885 20 0 FJADRO CCCCc1oc2ccccc2c1C[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000604079257 568208538 /nfs/dbraw/zinc/20/85/38/568208538.db2.gz DIBDGNOLYRDRPN-IRXDYDNUSA-N 1 0 356.510 4.512 20 0 FJADRO CC(C)(C[NH2+]Cc1cccc(OCc2ccccn2)c1)Oc1ccccc1 ZINC000604079265 568208558 /nfs/dbraw/zinc/20/85/58/568208558.db2.gz DRKNUEAXGQVHLB-UHFFFAOYSA-N 1 0 362.473 4.608 20 0 FJADRO C[C@H]1CN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c2ccccc21 ZINC000604205068 568228340 /nfs/dbraw/zinc/22/83/40/568228340.db2.gz JJJNAATVYZUEIV-GHTZIAJQSA-N 1 0 363.505 4.547 20 0 FJADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000604222194 568230990 /nfs/dbraw/zinc/23/09/90/568230990.db2.gz BSWSCVOOVHHZEX-KRWDZBQOSA-N 1 0 366.480 4.870 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)cc1)C1CC1 ZINC000604258005 568239078 /nfs/dbraw/zinc/23/90/78/568239078.db2.gz QDSDXVSCVNPCCQ-AVRDEDQJSA-N 1 0 362.517 4.689 20 0 FJADRO COc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1SC ZINC000303181453 568256108 /nfs/dbraw/zinc/25/61/08/568256108.db2.gz KUCBBLLNWJVWSQ-GOSISDBHSA-N 1 0 370.518 4.583 20 0 FJADRO COc1ccc([C@@H](C[NH2+]C/C(C)=C/c2ccccc2)N2CCCC2)cc1 ZINC000303182779 568256173 /nfs/dbraw/zinc/25/61/73/568256173.db2.gz TXXSHZSRUMNMDM-WNLUNTPQSA-N 1 0 350.506 4.525 20 0 FJADRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000303187975 568256287 /nfs/dbraw/zinc/25/62/87/568256287.db2.gz UUPHNIIKSJBEER-OAHLLOKOSA-N 1 0 350.840 4.543 20 0 FJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1oc2c(cccc2F)c1C ZINC000007946411 568266454 /nfs/dbraw/zinc/26/64/54/568266454.db2.gz GRJNHGUPCNHWIT-UHFFFAOYSA-N 1 0 368.452 4.652 20 0 FJADRO CC[NH+](CC)[C@H](CNC(=O)c1sccc1C)c1ccccc1Cl ZINC000022681722 568269874 /nfs/dbraw/zinc/26/98/74/568269874.db2.gz LYQVARIKFPVNMQ-MRXNPFEDSA-N 1 0 350.915 4.523 20 0 FJADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000303431730 568272871 /nfs/dbraw/zinc/27/28/71/568272871.db2.gz FYXJHTJCQHXVPJ-CYBMUJFWSA-N 1 0 357.325 4.624 20 0 FJADRO FC(F)Oc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1Cl ZINC000604416722 568275035 /nfs/dbraw/zinc/27/50/35/568275035.db2.gz BCUUHHASKRECGI-HNNXBMFYSA-N 1 0 366.839 4.700 20 0 FJADRO Clc1ccc(-c2ccc(C[NH2+]CCOC[C@H]3CCCO3)o2)cc1Cl ZINC000604417280 568275448 /nfs/dbraw/zinc/27/54/48/568275448.db2.gz UPIMCZSSGYKTSL-OAHLLOKOSA-N 1 0 370.276 4.539 20 0 FJADRO FC(F)(F)c1ccc(N2CC[C@H]([NH2+]Cc3cccc4[nH]ccc43)C2)cc1 ZINC000604417807 568275685 /nfs/dbraw/zinc/27/56/85/568275685.db2.gz YBAQMYSIABVGED-INIZCTEOSA-N 1 0 359.395 4.555 20 0 FJADRO Cc1cccc([C@H](C)N[C@H](C(=O)N2CCCCC2)c2ccccc2)c1C ZINC000604413193 568278102 /nfs/dbraw/zinc/27/81/02/568278102.db2.gz VECDIUGFARFTAK-UGKGYDQZSA-N 1 0 350.506 4.708 20 0 FJADRO Cc1cccc([C@@H](C)N[C@@H](C(=O)N2CCCCC2)c2ccccc2)c1C ZINC000604413190 568278123 /nfs/dbraw/zinc/27/81/23/568278123.db2.gz VECDIUGFARFTAK-DENIHFKCSA-N 1 0 350.506 4.708 20 0 FJADRO Cc1cccc([C@@H](C)N[C@H](C(=O)N2CCCCC2)c2ccccc2)c1C ZINC000604413191 568278137 /nfs/dbraw/zinc/27/81/37/568278137.db2.gz VECDIUGFARFTAK-KNQAVFIVSA-N 1 0 350.506 4.708 20 0 FJADRO Cc1ccc(C[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)c2ccccn2)cc1 ZINC000604414096 568278730 /nfs/dbraw/zinc/27/87/30/568278730.db2.gz WXWDXOBPBZVRBC-CVDCTZTESA-N 1 0 373.500 4.599 20 0 FJADRO Cc1c(F)cccc1-c1ccc(C[NH2+]Cc2ccccc2-n2ccnc2)o1 ZINC000604415198 568280303 /nfs/dbraw/zinc/28/03/03/568280303.db2.gz DGNAPVUFMKVGIN-UHFFFAOYSA-N 1 0 361.420 4.870 20 0 FJADRO Cc1ccc(-c2ncc(C[NH2+]C[C@H](c3ccc(C)cc3)N(C)C)s2)cc1 ZINC000604415450 568280721 /nfs/dbraw/zinc/28/07/21/568280721.db2.gz LJPIIZZLURWYKB-OAQYLSRUSA-N 1 0 365.546 4.819 20 0 FJADRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000604394105 568283974 /nfs/dbraw/zinc/28/39/74/568283974.db2.gz AYPGDAOOLAETGN-WMLDXEAASA-N 1 0 354.400 4.998 20 0 FJADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000604394116 568284005 /nfs/dbraw/zinc/28/40/05/568284005.db2.gz BNKMUDOWTAIGKO-RHSMWYFYSA-N 1 0 353.853 4.768 20 0 FJADRO CCc1cccc(CC)c1NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000604394097 568284033 /nfs/dbraw/zinc/28/40/33/568284033.db2.gz AQNQTKMWEJOQKV-UTKZUKDTSA-N 1 0 350.506 4.628 20 0 FJADRO Cc1ccc(-c2ccc(C(=O)NCc3cn4cccc(C)c4n3)c(F)c2)cc1 ZINC000303546574 568291667 /nfs/dbraw/zinc/29/16/67/568291667.db2.gz VMZFUAHQJFVTFF-UHFFFAOYSA-N 1 0 373.431 4.687 20 0 FJADRO Brc1ccc(-c2nc(C[NH+](CC3CC3)CC3CC3)co2)cc1 ZINC000604395510 568294997 /nfs/dbraw/zinc/29/49/97/568294997.db2.gz PDYNJPURNITQQB-UHFFFAOYSA-N 1 0 361.283 4.726 20 0 FJADRO C[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1cccc(Br)c1 ZINC000094368536 568296614 /nfs/dbraw/zinc/29/66/14/568296614.db2.gz LBMNPTAKFHSSIV-XJKSGUPXSA-N 1 0 370.356 4.545 20 0 FJADRO C[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(Br)cc1 ZINC000094370171 568297251 /nfs/dbraw/zinc/29/72/51/568297251.db2.gz OSCLMTKFZKEXAA-CZUORRHYSA-N 1 0 370.356 4.545 20 0 FJADRO CSCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000604477481 568299761 /nfs/dbraw/zinc/29/97/61/568299761.db2.gz XLKJWOGUOJYKIQ-UHFFFAOYSA-N 1 0 357.910 4.645 20 0 FJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)c1cccc(C)c1C ZINC000604575897 568315727 /nfs/dbraw/zinc/31/57/27/568315727.db2.gz WVYUIIJGCBYNFL-IBGZPJMESA-N 1 0 367.537 4.706 20 0 FJADRO C[C@H](OC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000604608379 568326139 /nfs/dbraw/zinc/32/61/39/568326139.db2.gz RCWIAWXPSWOIKB-MBXLBGHASA-N 1 0 373.924 4.657 20 0 FJADRO CC[C@H](C)c1ccc([C@@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000604634360 568333174 /nfs/dbraw/zinc/33/31/74/568333174.db2.gz SCWNASVOBXXCHV-IPJJNNNSSA-N 1 0 373.585 4.880 20 0 FJADRO Cc1cccc([C@H](C)NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1C ZINC000604670000 568344701 /nfs/dbraw/zinc/34/47/01/568344701.db2.gz QJSIEKFHWDEPPR-FQEVSTJZSA-N 1 0 371.569 4.662 20 0 FJADRO CC(C)=C[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1(C)C ZINC000604714362 568355373 /nfs/dbraw/zinc/35/53/73/568355373.db2.gz KTJQUZKDTDSYOD-UIFIKXQLSA-N 1 0 354.538 4.567 20 0 FJADRO CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000604716786 568355807 /nfs/dbraw/zinc/35/58/07/568355807.db2.gz POBOIQIOYQEQKO-FQEVSTJZSA-N 1 0 374.594 4.524 20 0 FJADRO CC(C)[C@@H](CC1CCCC1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000604744979 568356064 /nfs/dbraw/zinc/35/60/64/568356064.db2.gz VMPIURXJNFUXLT-DHIUTWEWSA-N 1 0 370.581 4.520 20 0 FJADRO Cc1ccccc1[C@H](C)CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000604741981 568359729 /nfs/dbraw/zinc/35/97/29/568359729.db2.gz KNBQOFNDVONRIC-HXUWFJFHSA-N 1 0 364.533 4.517 20 0 FJADRO CC(C)[C@@H](CC1CCCC1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000604742354 568359837 /nfs/dbraw/zinc/35/98/37/568359837.db2.gz OQORAAKXPULDAB-JOCHJYFZSA-N 1 0 374.544 4.759 20 0 FJADRO C[C@@H]([NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(C)(C)O ZINC000604764975 568361794 /nfs/dbraw/zinc/36/17/94/568361794.db2.gz KMMSBFOSXAIYDT-CYBMUJFWSA-N 1 0 368.304 4.821 20 0 FJADRO COCCOc1cccc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000604765964 568361906 /nfs/dbraw/zinc/36/19/06/568361906.db2.gz XOXDJSCPNNVMCM-UHFFFAOYSA-N 1 0 359.897 4.924 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)o1 ZINC000604767875 568362456 /nfs/dbraw/zinc/36/24/56/568362456.db2.gz DUGQSBQTTVFMHO-HRAATJIYSA-N 1 0 353.437 4.648 20 0 FJADRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000604767848 568362473 /nfs/dbraw/zinc/36/24/73/568362473.db2.gz DJJUDXRVUAPZLE-MGPUTAFESA-N 1 0 355.865 4.854 20 0 FJADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000604768285 568362530 /nfs/dbraw/zinc/36/25/30/568362530.db2.gz MZHILNPXLTWKNC-DVECYGJZSA-N 1 0 361.485 4.520 20 0 FJADRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC000604772886 568363582 /nfs/dbraw/zinc/36/35/82/568363582.db2.gz UYCRTXMASBVEMV-VXKWHMMOSA-N 1 0 350.506 4.527 20 0 FJADRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000604772937 568363614 /nfs/dbraw/zinc/36/36/14/568363614.db2.gz XCLFLWRPFJQTIL-HOTGVXAUSA-N 1 0 374.912 4.773 20 0 FJADRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000604773218 568363645 /nfs/dbraw/zinc/36/36/45/568363645.db2.gz QUFIMRQBLQFXCT-FQEVSTJZSA-N 1 0 353.897 4.696 20 0 FJADRO CN(C)C(=O)[C@@H]([NH2+]CC1(Sc2ccccc2)CCCC1)c1ccccc1 ZINC000604773758 568363799 /nfs/dbraw/zinc/36/37/99/568363799.db2.gz WQWUOSWOOHMGQV-FQEVSTJZSA-N 1 0 368.546 4.511 20 0 FJADRO C[C@H](C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1c(Cl)cccc1Cl ZINC000604773797 568363889 /nfs/dbraw/zinc/36/38/89/568363889.db2.gz YVLRBEIGWPWGJK-FZKQIMNGSA-N 1 0 365.304 4.516 20 0 FJADRO C[NH+](C)CC[C@H](NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(C)(C)C ZINC000604789130 568367203 /nfs/dbraw/zinc/36/72/03/568367203.db2.gz ZDUSTJWYMLSDHP-MSOLQXFVSA-N 1 0 365.949 4.553 20 0 FJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000604774953 568368936 /nfs/dbraw/zinc/36/89/36/568368936.db2.gz NEEZLNWUEDMQRV-HNNXBMFYSA-N 1 0 357.885 4.687 20 0 FJADRO CC[C@@H](C)[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000604860600 568379174 /nfs/dbraw/zinc/37/91/74/568379174.db2.gz HMSRXERYZCZNRO-XXBNENTESA-N 1 0 364.533 4.729 20 0 FJADRO CC[C@H](C)[C@@H](C(=O)NCc1cccc(C[N@H+](C)CC)c1)c1ccccc1 ZINC000604864100 568379825 /nfs/dbraw/zinc/37/98/25/568379825.db2.gz YLKFZDIBBYTVEV-PGRDOPGGSA-N 1 0 352.522 4.584 20 0 FJADRO CC[C@@H](C)[C@@H](C(=O)NCc1cccc(C[N@H+](C)CC)c1)c1ccccc1 ZINC000604864101 568379844 /nfs/dbraw/zinc/37/98/44/568379844.db2.gz YLKFZDIBBYTVEV-XMSQKQJNSA-N 1 0 352.522 4.584 20 0 FJADRO COc1cc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)ccc1SC ZINC000604885299 568380827 /nfs/dbraw/zinc/38/08/27/568380827.db2.gz BBHCNAFGRRPWHB-UHFFFAOYSA-N 1 0 357.519 4.769 20 0 FJADRO CCCn1cc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c(C)c2)cn1 ZINC000604891421 568381834 /nfs/dbraw/zinc/38/18/34/568381834.db2.gz HKBFPSRBVFDOAZ-UHFFFAOYSA-N 1 0 353.441 4.823 20 0 FJADRO CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2cnc(C)s2)cc1 ZINC000604892224 568382007 /nfs/dbraw/zinc/38/20/07/568382007.db2.gz KWWXRLQMBWLEOR-PMACEKPBSA-N 1 0 360.523 4.720 20 0 FJADRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2cnc(C)s2)cc1 ZINC000604892227 568382138 /nfs/dbraw/zinc/38/21/38/568382138.db2.gz KWWXRLQMBWLEOR-WOJBJXKFSA-N 1 0 360.523 4.720 20 0 FJADRO Cc1cc(Oc2ccccc2)ccc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000643260683 568424208 /nfs/dbraw/zinc/42/42/08/568424208.db2.gz CLNDDVWQRPLXQL-UHFFFAOYSA-N 1 0 367.493 4.782 20 0 FJADRO CC1(C)CC(NC(=O)c2ccccc2Oc2ccccc2)CC(C)(C)[NH2+]1 ZINC000010815182 568434027 /nfs/dbraw/zinc/43/40/27/568434027.db2.gz BBDSPOQMWFZCIU-UHFFFAOYSA-N 1 0 352.478 4.518 20 0 FJADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000007375357 568503509 /nfs/dbraw/zinc/50/35/09/568503509.db2.gz IFZFVNFMCWKCJM-DYVFJYSZSA-N 1 0 361.283 4.517 20 0 FJADRO Cc1ncsc1C[N@H+](C)CC/C=C\c1ccc(Br)cc1 ZINC000604998652 568512090 /nfs/dbraw/zinc/51/20/90/568512090.db2.gz NZAMNOXERAHPAF-HYXAFXHYSA-N 1 0 351.313 4.749 20 0 FJADRO CC(C)[C@H]1CCCC[N@@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000605000328 568513745 /nfs/dbraw/zinc/51/37/45/568513745.db2.gz JBDRWWSBHNLPJG-GFCCVEGCSA-N 1 0 370.316 4.571 20 0 FJADRO CC(C)[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000605000720 568514366 /nfs/dbraw/zinc/51/43/66/568514366.db2.gz YETJGJCCRIATQI-OAHLLOKOSA-N 1 0 353.388 4.766 20 0 FJADRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000605000719 568514371 /nfs/dbraw/zinc/51/43/71/568514371.db2.gz YETJGJCCRIATQI-HNNXBMFYSA-N 1 0 353.388 4.766 20 0 FJADRO Cc1csc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)n1 ZINC000605008411 568515836 /nfs/dbraw/zinc/51/58/36/568515836.db2.gz RMPRAISGCOGDMG-MRXNPFEDSA-N 1 0 351.313 4.845 20 0 FJADRO c1ccc(COc2cccc(C[NH2+]C[C@@H]3CCc4ccccc4C3)c2)nc1 ZINC000605008529 568515924 /nfs/dbraw/zinc/51/59/24/568515924.db2.gz CSFRMJMQNYQBLV-HXUWFJFHSA-N 1 0 358.485 4.555 20 0 FJADRO c1ccc(COc2ccc(C[NH2+]C[C@@H]3CCc4ccccc4C3)cc2)nc1 ZINC000605008856 568515929 /nfs/dbraw/zinc/51/59/29/568515929.db2.gz ZAPDGXKANAAZPL-HXUWFJFHSA-N 1 0 358.485 4.555 20 0 FJADRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000605008985 568516219 /nfs/dbraw/zinc/51/62/19/568516219.db2.gz HOSANDJEVSNNEO-INIZCTEOSA-N 1 0 361.530 4.647 20 0 FJADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)C1CCC(C(F)(F)F)CC1 ZINC000433172339 568521111 /nfs/dbraw/zinc/52/11/11/568521111.db2.gz HFMLZXNNUFXQFH-HIFPTAJRSA-N 1 0 362.823 4.625 20 0 FJADRO CC(C)CCOc1ccc(C[NH2+]CCc2csc(N3CCCC3)n2)cc1 ZINC000605165255 568593640 /nfs/dbraw/zinc/59/36/40/568593640.db2.gz XBGDGPMUKFXEEJ-UHFFFAOYSA-N 1 0 373.566 4.501 20 0 FJADRO COc1cc(C[NH2+][C@@H]2CSc3ccccc32)ccc1OCC(F)(F)F ZINC000605166158 568594286 /nfs/dbraw/zinc/59/42/86/568594286.db2.gz UGWWBSJMBPLOJK-CQSZACIVSA-N 1 0 369.408 4.573 20 0 FJADRO COc1cc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)ccc1OC(F)F ZINC000605187587 568615031 /nfs/dbraw/zinc/61/50/31/568615031.db2.gz FXVYVKQHKYMZHO-GOSISDBHSA-N 1 0 365.445 4.587 20 0 FJADRO c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH+]1CC(C2CCOCC2)C1 ZINC000643293464 568628067 /nfs/dbraw/zinc/62/80/67/568628067.db2.gz GUFVTFRFGGUHNR-UHFFFAOYSA-N 1 0 365.521 4.524 20 0 FJADRO CCc1ccc([C@@H](C)CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000606161037 568680045 /nfs/dbraw/zinc/68/00/45/568680045.db2.gz AJARQDODJFRAKD-RXVVDRJESA-N 1 0 368.521 4.679 20 0 FJADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)c1ccsc1)c1ccccc1Cl ZINC000606162291 568681031 /nfs/dbraw/zinc/68/10/31/568681031.db2.gz XNUBMBPCELZBLG-RDTXWAMCSA-N 1 0 364.942 4.704 20 0 FJADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)c1cccs1)c1ccccc1Cl ZINC000606162316 568681010 /nfs/dbraw/zinc/68/10/10/568681010.db2.gz YYMIFMRIPAWDBB-RHSMWYFYSA-N 1 0 364.942 4.704 20 0 FJADRO CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000182058237 568713898 /nfs/dbraw/zinc/71/38/98/568713898.db2.gz NTYHHCGTEFIUEO-INIZCTEOSA-N 1 0 358.482 4.519 20 0 FJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164794873 721507503 /nfs/dbraw/zinc/50/75/03/721507503.db2.gz FBBTXZZLLRNZGN-UTKZUKDTSA-N 1 0 371.912 4.546 20 0 FJADRO C[NH+](C)[C@@H]1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)C1 ZINC001165034627 721895523 /nfs/dbraw/zinc/89/55/23/721895523.db2.gz GHEFWKKFZQFKGA-OAHLLOKOSA-N 1 0 372.925 4.542 20 0 FJADRO CC[NH+](CC)C1CCN(c2ncc(OCc3ccccc3)cc2Cl)CC1 ZINC001165053127 722005087 /nfs/dbraw/zinc/00/50/87/722005087.db2.gz KCNGTJVVWWKNGT-UHFFFAOYSA-N 1 0 373.928 4.625 20 0 FJADRO CC[NH+](CC)C1CCN(C(F)(F)c2ccc3c(ccnc3Cl)c2)CC1 ZINC001165053641 722006841 /nfs/dbraw/zinc/00/68/41/722006841.db2.gz BQCJZHSAMDNJMN-UHFFFAOYSA-N 1 0 367.871 4.744 20 0 FJADRO CC[NH+](CC)C1CCN(c2ccc3c(Cl)ccc(Cl)c3n2)CC1 ZINC001165054123 722007455 /nfs/dbraw/zinc/00/74/55/722007455.db2.gz JAIRXBMQKXJAJP-UHFFFAOYSA-N 1 0 352.309 4.852 20 0 FJADRO O=C(CCC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000000537887 210249799 /nfs/dbraw/zinc/24/97/99/210249799.db2.gz WCIBOXFOUGQLFC-UHFFFAOYSA-N 1 0 371.427 4.523 20 0 in-man FJADRO Cc1sc(CC[NH2+][C@H](C)c2cn3ccccc3n2)nc1-c1ccccc1 ZINC000559917283 370702735 /nfs/dbraw/zinc/70/27/35/370702735.db2.gz YKKJHHJCWMVGJJ-OAHLLOKOSA-N 1 0 362.502 4.660 20 0 FJADRO Cc1sc2ncnc(NC[C@@H](c3ccco3)[NH+]3CCCCC3)c2c1C ZINC000008063497 204316509 /nfs/dbraw/zinc/31/65/09/204316509.db2.gz QQTOWUWPZNIJEC-HNNXBMFYSA-N 1 0 356.495 4.540 20 0 FJADRO Brc1ccc(C[NH2+]Cc2cccc(Br)c2)s1 ZINC000037985112 205037082 /nfs/dbraw/zinc/03/70/82/205037082.db2.gz GYWUDASFEFSVPE-UHFFFAOYSA-N 1 0 361.102 4.563 20 0 FJADRO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000066889870 205366771 /nfs/dbraw/zinc/36/67/71/205366771.db2.gz NZAOHKZIMGMVCQ-IBGZPJMESA-N 1 0 360.885 4.587 20 0 FJADRO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000066889872 205367621 /nfs/dbraw/zinc/36/76/21/205367621.db2.gz NZAOHKZIMGMVCQ-LJQANCHMSA-N 1 0 360.885 4.587 20 0 FJADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000108063416 206026658 /nfs/dbraw/zinc/02/66/58/206026658.db2.gz IQOQEQVKTMFQFX-IBGZPJMESA-N 1 0 372.896 4.823 20 0 FJADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2ccc(F)cc2)cc1 ZINC000108255358 206029901 /nfs/dbraw/zinc/02/99/01/206029901.db2.gz IKXHUEMYPZUJHQ-KRWDZBQOSA-N 1 0 354.469 4.771 20 0 FJADRO CCc1cccc(CC)c1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000109313497 206053287 /nfs/dbraw/zinc/05/32/87/206053287.db2.gz LMZZNTJQUKRTQG-FQEVSTJZSA-N 1 0 353.510 4.544 20 0 FJADRO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000110180498 206071641 /nfs/dbraw/zinc/07/16/41/206071641.db2.gz GAIYTYRIDVPWJC-HNAYVOBHSA-N 1 0 350.934 4.664 20 0 FJADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(Br)s2)c1 ZINC000040217970 211515312 /nfs/dbraw/zinc/51/53/12/211515312.db2.gz DRSZLXWPVBTEOI-UHFFFAOYSA-N 1 0 367.312 4.605 20 0 FJADRO CC(C)(C)c1csc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000025447150 211430707 /nfs/dbraw/zinc/43/07/07/211430707.db2.gz XUYZHLXRLRNZIF-UHFFFAOYSA-N 1 0 357.523 4.679 20 0 FJADRO COCc1cc([C@H](C)[NH2+]Cc2ccc(Br)s2)ccc1OC ZINC000038018370 211353859 /nfs/dbraw/zinc/35/38/59/211353859.db2.gz CHSDTVVRAOZUCB-NSHDSACASA-N 1 0 370.312 4.516 20 0 FJADRO CCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038003379 211342700 /nfs/dbraw/zinc/34/27/00/211342700.db2.gz GKFIGXUHTLAMEP-LBPRGKRZSA-N 1 0 354.313 4.898 20 0 FJADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccc(Br)s1 ZINC000038002856 211342202 /nfs/dbraw/zinc/34/22/02/211342202.db2.gz GSCOBBLWKJXZBU-GHMZBOCLSA-N 1 0 368.296 4.694 20 0 FJADRO FC(F)(F)Oc1ccccc1C[NH2+]Cc1ccc(Br)s1 ZINC000037979298 211328772 /nfs/dbraw/zinc/32/87/72/211328772.db2.gz QIRKCJBYEPIJDM-UHFFFAOYSA-N 1 0 366.202 4.699 20 0 FJADRO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Br)cs1)CCS2 ZINC000035043814 210358001 /nfs/dbraw/zinc/35/80/01/210358001.db2.gz ZBWPTGDURGZQQR-ZDUSSCGKSA-N 1 0 358.301 4.976 20 0 FJADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000071943362 221389076 /nfs/dbraw/zinc/38/90/76/221389076.db2.gz ASPOTVLCKQCWJV-MRXNPFEDSA-N 1 0 370.255 4.557 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)N2CCSc3ccccc32)cc1)C(C)C ZINC000110119069 132246268 /nfs/dbraw/zinc/24/62/68/132246268.db2.gz SYNUYGRFGWCCFP-UHFFFAOYSA-N 1 0 354.519 4.669 20 0 FJADRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)cc1 ZINC000096089575 222020061 /nfs/dbraw/zinc/02/00/61/222020061.db2.gz MSABIGXZAAWQEW-UHFFFAOYSA-N 1 0 368.546 4.575 20 0 FJADRO O=C(Nc1ccc(Cl)c(Cl)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000097472989 222183242 /nfs/dbraw/zinc/18/32/42/222183242.db2.gz HGAWDKAWGMDLGN-UHFFFAOYSA-N 1 0 356.297 4.522 20 0 FJADRO O=C(CN1CCC(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000105692872 222373405 /nfs/dbraw/zinc/37/34/05/222373405.db2.gz REDLMBUUDLEDQR-UHFFFAOYSA-N 1 0 362.395 4.524 20 0 FJADRO Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000106036025 222381152 /nfs/dbraw/zinc/38/11/52/222381152.db2.gz GBBYRMJRUYDATP-HZPDHXFCSA-N 1 0 372.896 4.510 20 0 FJADRO FC(F)c1ccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)cc1 ZINC000185464067 567844803 /nfs/dbraw/zinc/84/48/03/567844803.db2.gz DHMLDWCBHIAAAJ-UHFFFAOYSA-N 1 0 368.221 4.611 20 0 FJADRO Clc1ccc([C@@H]2CCCN2Cc2csc(-c3ncccn3)n2)cc1 ZINC000051423282 567885376 /nfs/dbraw/zinc/88/53/76/567885376.db2.gz YFRYMZCNLQACMA-INIZCTEOSA-N 1 0 356.882 4.591 20 0 FJADRO C[NH+]1CCC(N(C(=O)c2cc3cc(Cl)ccc3o2)c2ccccc2)CC1 ZINC000601959273 567886546 /nfs/dbraw/zinc/88/65/46/567886546.db2.gz WXCUFOGYEAVMDG-UHFFFAOYSA-N 1 0 368.864 4.827 20 0 FJADRO C[NH+]1CCC(N(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c2ccccc2)CC1 ZINC000601959405 567886591 /nfs/dbraw/zinc/88/65/91/567886591.db2.gz ZXZYSKDRBVRPJR-LEWJYISDSA-N 1 0 368.908 4.571 20 0 FJADRO CC[C@H](Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000601947442 567892100 /nfs/dbraw/zinc/89/21/00/567892100.db2.gz YEWWQWJMUIWVRN-OAQYLSRUSA-N 1 0 364.533 4.558 20 0 FJADRO Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](COCc4ccccc4)C3)co2)cc1 ZINC000075864397 567897529 /nfs/dbraw/zinc/89/75/29/567897529.db2.gz WLKATACGUCSQJC-FQEVSTJZSA-N 1 0 362.473 4.689 20 0 FJADRO Fc1cc(CN2CCC[C@@H]2c2nc3ccccc3s2)c2c(c1)COCO2 ZINC000014929276 567903915 /nfs/dbraw/zinc/90/39/15/567903915.db2.gz GOEFPYHTUBRAKF-QGZVFWFLSA-N 1 0 370.449 4.639 20 0 FJADRO CCOc1cc2[nH+]ccc(N3CC[C@@H](c4ccco4)C3)c2cc1OCC ZINC000602235851 567958466 /nfs/dbraw/zinc/95/84/66/567958466.db2.gz IZVUITRKAGZSSH-OAHLLOKOSA-N 1 0 352.434 4.619 20 0 FJADRO CCOc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2Cl)cc1 ZINC000021314996 567965977 /nfs/dbraw/zinc/96/59/77/567965977.db2.gz RKFLCCJGLCDNKN-HXUWFJFHSA-N 1 0 372.896 4.904 20 0 FJADRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(F)c(Br)c2)c1 ZINC000063319440 567972945 /nfs/dbraw/zinc/97/29/45/567972945.db2.gz JEOFEZLGEQDOHU-GFCCVEGCSA-N 1 0 352.247 4.838 20 0 FJADRO C[C@H]([NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(F)c(F)c1 ZINC000602584083 567994124 /nfs/dbraw/zinc/99/41/24/567994124.db2.gz DFYPEUBUAUIAIY-KSSFIOAISA-N 1 0 365.427 4.630 20 0 FJADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000602570263 567995986 /nfs/dbraw/zinc/99/59/86/567995986.db2.gz SOPKELKTYMTZRJ-KGLIPLIRSA-N 1 0 361.436 4.907 20 0 FJADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)cc1 ZINC000602570204 567996006 /nfs/dbraw/zinc/99/60/06/567996006.db2.gz ALTUOTXEXNJBTE-UONOGXRCSA-N 1 0 361.436 4.907 20 0 FJADRO Cc1ccc(OC2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cc1C ZINC000521425760 568003658 /nfs/dbraw/zinc/00/36/58/568003658.db2.gz KWVRWSWQDQHBOI-UHFFFAOYSA-N 1 0 361.489 4.533 20 0 FJADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000187030647 568004348 /nfs/dbraw/zinc/00/43/48/568004348.db2.gz JISKVEOUFSJYJR-HXUWFJFHSA-N 1 0 374.594 4.857 20 0 FJADRO CC[C@H](C)Oc1cc(C[NH2+][C@H](C)Cc2cccc(OC)c2)ccc1OC ZINC000602909529 568010858 /nfs/dbraw/zinc/01/08/58/568010858.db2.gz YFLWOHZJRJZQDV-SJORKVTESA-N 1 0 357.494 4.602 20 0 FJADRO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCc2ccc(OC)cc2C1 ZINC000521426259 568012553 /nfs/dbraw/zinc/01/25/53/568012553.db2.gz NFQLWQSOFPGHAG-IAGOWNOFSA-N 1 0 366.505 4.594 20 0 FJADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC000218954373 568019379 /nfs/dbraw/zinc/01/93/79/568019379.db2.gz KQTZZGGFKOCSJK-NXEZZACHSA-N 1 0 356.251 4.764 20 0 FJADRO COc1cc(C[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)cc(OC)c1OC ZINC000186945636 568020874 /nfs/dbraw/zinc/02/08/74/568020874.db2.gz YZFFOYQOFUDXLI-QGZVFWFLSA-N 1 0 373.518 4.656 20 0 FJADRO CC(F)(F)c1cccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000186950304 568022619 /nfs/dbraw/zinc/02/26/19/568022619.db2.gz ZPEPMUCQXUJMQP-UHFFFAOYSA-N 1 0 365.468 4.574 20 0 FJADRO Cc1ccc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000522756444 568040659 /nfs/dbraw/zinc/04/06/59/568040659.db2.gz VSPVIQLUNQGZFV-LPHOPBHVSA-N 1 0 366.427 4.780 20 0 FJADRO Cc1oc(C)c(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1C ZINC000602806591 568048691 /nfs/dbraw/zinc/04/86/91/568048691.db2.gz OFNGPJLWUNGRMT-UHFFFAOYSA-N 1 0 354.494 4.511 20 0 FJADRO FC(F)(F)c1cccc(CCC2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000602862902 568050023 /nfs/dbraw/zinc/05/00/23/568050023.db2.gz XQYHUTGTNHDUDC-UHFFFAOYSA-N 1 0 355.444 4.777 20 0 FJADRO Cc1nc(COc2ccc(C[NH2+]C(C)(C)c3ccc(Cl)cc3)cc2)no1 ZINC000067011133 568073017 /nfs/dbraw/zinc/07/30/17/568073017.db2.gz KUHMMLUCXLENHK-UHFFFAOYSA-N 1 0 371.868 4.635 20 0 FJADRO Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCCc4[nH]c(=O)ccc43)s2)cc1 ZINC000067504101 568076264 /nfs/dbraw/zinc/07/62/64/568076264.db2.gz NOELPUGZEZZTQR-GOSISDBHSA-N 1 0 350.487 4.579 20 0 FJADRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000067504259 568076306 /nfs/dbraw/zinc/07/63/06/568076306.db2.gz WIJAMJVCRQZFBC-QGZVFWFLSA-N 1 0 370.905 4.924 20 0 FJADRO COc1cc([C@H](C)[NH2+]Cc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000067690619 568080769 /nfs/dbraw/zinc/08/07/69/568080769.db2.gz GHGGACZXJVJQRE-NSHDSACASA-N 1 0 370.276 4.870 20 0 FJADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)[C@@H]1CC1(F)F ZINC000666445187 568082571 /nfs/dbraw/zinc/08/25/71/568082571.db2.gz QWIWPZJZNLMDSN-HQJQHLMTSA-N 1 0 358.148 4.601 20 0 FJADRO CC[NH+]1CCC(N(C)c2ncnc3scc(-c4ccc(C)cc4)c32)CC1 ZINC000603394147 568095300 /nfs/dbraw/zinc/09/53/00/568095300.db2.gz LCUZHVYKHCKAOR-UHFFFAOYSA-N 1 0 366.534 4.587 20 0 FJADRO c1ccc(CCOCCC[NH2+][C@H](c2cccnc2)C2CCCCC2)cc1 ZINC000603410491 568097865 /nfs/dbraw/zinc/09/78/65/568097865.db2.gz DHWORNJPSXNHNK-QHCPKHFHSA-N 1 0 352.522 4.942 20 0 FJADRO CCC[C@H](CC1CCCCC1)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000603465922 568102406 /nfs/dbraw/zinc/10/24/06/568102406.db2.gz LQTLQBCPCOBVIZ-OAQYLSRUSA-N 1 0 350.591 4.952 20 0 FJADRO Cc1cccc([C@H]2CCCCCN2C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000522769290 568103849 /nfs/dbraw/zinc/10/38/49/568103849.db2.gz DSWGNHKKZAGIAY-OAQYLSRUSA-N 1 0 371.569 4.885 20 0 FJADRO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cccc(-c3ccccc3)c1)C[C@H](C)O2 ZINC000430780137 568104867 /nfs/dbraw/zinc/10/48/67/568104867.db2.gz JJZATIIJGSSZNC-SELNLUPBSA-N 1 0 351.490 4.512 20 0 FJADRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 ZINC000603509831 568110331 /nfs/dbraw/zinc/11/03/31/568110331.db2.gz RJMPZGPEXGFRFN-MSOLQXFVSA-N 1 0 362.395 4.552 20 0 FJADRO CC(C)(C[NH2+]Cc1csc(COc2ccccc2)n1)c1ccccc1 ZINC000603510104 568110404 /nfs/dbraw/zinc/11/04/04/568110404.db2.gz QSIICILNIRQPTM-UHFFFAOYSA-N 1 0 352.503 4.790 20 0 FJADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000121748024 568110419 /nfs/dbraw/zinc/11/04/19/568110419.db2.gz KIWHZSOCEVSBSO-SCLBCKFNSA-N 1 0 351.899 4.545 20 0 FJADRO Cc1ccc(OCc2nc(C[NH2+][C@@H](C)Cc3ccsc3)cs2)cc1 ZINC000603511937 568110790 /nfs/dbraw/zinc/11/07/90/568110790.db2.gz IPLUTCMESLKFMI-HNNXBMFYSA-N 1 0 358.532 4.813 20 0 FJADRO Fc1ccc2c(c1)[C@H](NCc1cc(C(F)(F)F)ccc1F)CCCO2 ZINC000603511926 568110792 /nfs/dbraw/zinc/11/07/92/568110792.db2.gz HVRCUGJEOJSGMJ-MRXNPFEDSA-N 1 0 357.322 4.987 20 0 FJADRO Cc1ccc(-c2nc(C[NH2+]CCc3ccc4ccccc4n3)cs2)cc1 ZINC000603512357 568110837 /nfs/dbraw/zinc/11/08/37/568110837.db2.gz FENMIWKTQKJBNV-UHFFFAOYSA-N 1 0 359.498 4.999 20 0 FJADRO O=C(Nc1cccc(C[NH2+]CC2CCSCC2)c1)c1ccccc1Cl ZINC000603515080 568111410 /nfs/dbraw/zinc/11/14/10/568111410.db2.gz FWGYEFJKEVNUBK-UHFFFAOYSA-N 1 0 374.937 4.825 20 0 FJADRO CCC[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000603516566 568111688 /nfs/dbraw/zinc/11/16/88/568111688.db2.gz IKANHSFHKYRXLM-GOSISDBHSA-N 1 0 365.304 4.652 20 0 FJADRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(OC)c4ccccc34)c2c1 ZINC000603516478 568111737 /nfs/dbraw/zinc/11/17/37/568111737.db2.gz VKGRUVRHLIKJHK-UHFFFAOYSA-N 1 0 360.457 4.671 20 0 FJADRO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)cc1)c1ccc(NC(N)=O)cc1 ZINC000603516721 568111744 /nfs/dbraw/zinc/11/17/44/568111744.db2.gz DRAAQXNURSFQFC-QGZVFWFLSA-N 1 0 374.488 4.796 20 0 FJADRO Clc1ccc(SCCOc2ccc(C[NH2+]Cc3cn[nH]c3)cc2)cc1 ZINC000603519381 568115182 /nfs/dbraw/zinc/11/51/82/568115182.db2.gz GUHSMEFBRJDHJH-UHFFFAOYSA-N 1 0 373.909 4.524 20 0 FJADRO C[C@@H]([NH2+]C1(CNC(=O)N(C)Cc2ccsc2)CCCC1)c1ccccc1 ZINC000603611230 568126084 /nfs/dbraw/zinc/12/60/84/568126084.db2.gz YLQKKYPLCLQNBX-QGZVFWFLSA-N 1 0 371.550 4.553 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000603686150 568135497 /nfs/dbraw/zinc/13/54/97/568135497.db2.gz NLYMSDGSSBYEKA-CVEARBPZSA-N 1 0 373.928 4.548 20 0 FJADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000603686153 568135541 /nfs/dbraw/zinc/13/55/41/568135541.db2.gz NLYMSDGSSBYEKA-JKSUJKDBSA-N 1 0 373.928 4.548 20 0 FJADRO Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c(C[NH+](C)C)c1 ZINC000603694830 568136707 /nfs/dbraw/zinc/13/67/07/568136707.db2.gz AWTBMXQXFILBID-UHFFFAOYSA-N 1 0 374.484 4.888 20 0 FJADRO CCSc1cccc(NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000603746748 568149308 /nfs/dbraw/zinc/14/93/08/568149308.db2.gz SNAJYVUBJOWIJM-UHFFFAOYSA-N 1 0 373.522 4.773 20 0 FJADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1nc2ccsc2s1 ZINC000522780317 568161445 /nfs/dbraw/zinc/16/14/45/568161445.db2.gz CEOJNEOAQATELQ-UHFFFAOYSA-N 1 0 374.535 4.520 20 0 FJADRO CC[C@@H](CC1CCCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000603863128 568172158 /nfs/dbraw/zinc/17/21/58/568172158.db2.gz RFTABFOIVLBJIE-YADHBBJMSA-N 1 0 356.554 4.621 20 0 FJADRO COc1ccc(C2([NH2+]CCc3ccc4ccccc4c3)CCOCC2)cc1 ZINC000603933471 568181265 /nfs/dbraw/zinc/18/12/65/568181265.db2.gz IDLVBEKCDPOWMF-UHFFFAOYSA-N 1 0 361.485 4.686 20 0 FJADRO C[C@@H](c1ccncc1)[N@H+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC000603941831 568185153 /nfs/dbraw/zinc/18/51/53/568185153.db2.gz VNNMBHUKHMJLQU-IBGZPJMESA-N 1 0 362.473 4.732 20 0 FJADRO CC[C@@H](c1ccccc1)[N@@H+](Cc1nc(-c2ccccn2)no1)CC(C)C ZINC000604048360 568201122 /nfs/dbraw/zinc/20/11/22/568201122.db2.gz MIKKIDYAFHXFKS-IBGZPJMESA-N 1 0 350.466 4.741 20 0 FJADRO COc1ccccc1C[C@H](C)[N@H+](CCc1cccnc1)Cc1ccccc1 ZINC000604045011 568203673 /nfs/dbraw/zinc/20/36/73/568203673.db2.gz CBLMROPYPYGWSE-FQEVSTJZSA-N 1 0 360.501 4.766 20 0 FJADRO CCc1noc([C@@H](C)[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCCC2)n1 ZINC000604061965 568204687 /nfs/dbraw/zinc/20/46/87/568204687.db2.gz NWPKQPPDACJUCI-CYBMUJFWSA-N 1 0 367.415 4.813 20 0 FJADRO CC(=O)N(c1nc(CN2CCCC[C@@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000070945982 568207914 /nfs/dbraw/zinc/20/79/14/568207914.db2.gz YRKDPBMYLAJXNM-INIZCTEOSA-N 1 0 357.523 4.819 20 0 FJADRO CCCCc1oc2ccccc2c1C[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000604079258 568208499 /nfs/dbraw/zinc/20/84/99/568208499.db2.gz DIBDGNOLYRDRPN-SJORKVTESA-N 1 0 356.510 4.512 20 0 FJADRO CCSCc1ccc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000604083326 568209390 /nfs/dbraw/zinc/20/93/90/568209390.db2.gz KHXSIKHVTAFMCT-UHFFFAOYSA-N 1 0 370.562 4.710 20 0 FJADRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000604124462 568214001 /nfs/dbraw/zinc/21/40/01/568214001.db2.gz FWHKZLFATBQPSF-XMSQKQJNSA-N 1 0 366.505 4.592 20 0 FJADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CNc3ccccc3Cl)cc2)C1 ZINC000063646456 568215286 /nfs/dbraw/zinc/21/52/86/568215286.db2.gz OJQVIIAUVLCLBD-MRXNPFEDSA-N 1 0 371.912 4.623 20 0 FJADRO CCN(Cc1cccs1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604207024 568225609 /nfs/dbraw/zinc/22/56/09/568225609.db2.gz XQLANMRSWWROAV-FQEVSTJZSA-N 1 0 371.550 4.507 20 0 FJADRO Cc1ccc(CN(C)C(=O)c2ccc(C)c(Oc3ccncc3)c2)s1 ZINC000604229491 568233009 /nfs/dbraw/zinc/23/30/09/568233009.db2.gz BWOJXRWNEKQERC-UHFFFAOYSA-N 1 0 352.459 4.824 20 0 FJADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C3(c4cccc(F)c4)CC3)c2C1 ZINC000604229779 568233014 /nfs/dbraw/zinc/23/30/14/568233014.db2.gz XYPSAHYADDCBDJ-UHFFFAOYSA-N 1 0 366.480 4.858 20 0 FJADRO O=C(C[C@@H]1CCc2ccccc21)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000604280388 568240519 /nfs/dbraw/zinc/24/05/19/568240519.db2.gz ZFWYUIVEMCCJBY-IBGZPJMESA-N 1 0 371.484 4.945 20 0 FJADRO CC(C)(C)Oc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000604302869 568242645 /nfs/dbraw/zinc/24/26/45/568242645.db2.gz WRVRTNHVQMEZIM-UHFFFAOYSA-N 1 0 366.505 4.715 20 0 FJADRO CC(C)[NH+]1CCC(NC(=O)Nc2cc(F)ccc2Oc2ccccc2)CC1 ZINC000303161111 568254503 /nfs/dbraw/zinc/25/45/03/568254503.db2.gz HTIOHZMYUDZPLN-UHFFFAOYSA-N 1 0 371.456 4.612 20 0 FJADRO c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000303181682 568256083 /nfs/dbraw/zinc/25/60/83/568256083.db2.gz SYFVLHLDQAYXBS-SFHVURJKSA-N 1 0 364.470 4.876 20 0 FJADRO CC(C)CNC(=O)c1cccc(CN(C)[C@H](C)c2ccccc2Cl)c1 ZINC000303209284 568257646 /nfs/dbraw/zinc/25/76/46/568257646.db2.gz QRFQZDXSRAIULD-MRXNPFEDSA-N 1 0 358.913 4.919 20 0 FJADRO CC(=O)Nc1cccc(C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)c1 ZINC000303218139 568258634 /nfs/dbraw/zinc/25/86/34/568258634.db2.gz UDYANEKIWRXSML-UHFFFAOYSA-N 1 0 364.489 4.525 20 0 FJADRO COCC1(CC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000563126948 568258736 /nfs/dbraw/zinc/25/87/36/568258736.db2.gz VSZLHHYZWRRLNI-MRXNPFEDSA-N 1 0 360.498 4.733 20 0 FJADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)C1(c2ccc(Cl)cc2)CC1 ZINC000028162968 568263967 /nfs/dbraw/zinc/26/39/67/568263967.db2.gz YTCADNYBVSTART-UHFFFAOYSA-N 1 0 354.881 4.606 20 0 FJADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000604346737 568264443 /nfs/dbraw/zinc/26/44/43/568264443.db2.gz MNHNIYQORITMSO-MRXNPFEDSA-N 1 0 372.896 4.546 20 0 FJADRO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000026474471 568266830 /nfs/dbraw/zinc/26/68/30/568266830.db2.gz WQTZXGMUEIKVMN-FPDPHYFHSA-N 1 0 374.525 4.603 20 0 FJADRO CC(C)(C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1cccs1 ZINC000303634878 568268388 /nfs/dbraw/zinc/26/83/88/568268388.db2.gz PLGYAVDFTZHWGL-UHFFFAOYSA-N 1 0 370.562 4.718 20 0 FJADRO COc1cc(C[NH2+][C@H](c2ccccc2Cl)C(C)C)cc2c1OCCO2 ZINC000604417029 568275185 /nfs/dbraw/zinc/27/51/85/568275185.db2.gz ZFBNKNAIPDZDTK-IBGZPJMESA-N 1 0 361.869 4.607 20 0 FJADRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCCN(c4ccccc4)C3)s2)cc1 ZINC000604417174 568275362 /nfs/dbraw/zinc/27/53/62/568275362.db2.gz KIHZLOPYDCLZDU-LJQANCHMSA-N 1 0 363.530 4.877 20 0 FJADRO CC(C)(C)[C@@H](CC1CCCCC1)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000604418136 568276274 /nfs/dbraw/zinc/27/62/74/568276274.db2.gz ILPONWPJUONRFG-LJQANCHMSA-N 1 0 351.556 4.565 20 0 FJADRO Cc1c(F)cccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)o1 ZINC000604415744 568281151 /nfs/dbraw/zinc/28/11/51/568281151.db2.gz QFIHGNLILDUFPC-UHFFFAOYSA-N 1 0 367.420 4.845 20 0 FJADRO C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000604391479 568282408 /nfs/dbraw/zinc/28/24/08/568282408.db2.gz OFFIMGSKBWVSLI-GOSISDBHSA-N 1 0 364.533 4.564 20 0 FJADRO CCOc1ccc(-c2noc(C[N@@H+]3C[C@H](c4ccccc4)C[C@@H]3C)n2)cc1 ZINC000604392917 568283097 /nfs/dbraw/zinc/28/30/97/568283097.db2.gz KPBVUEVTBNSTDA-QFBILLFUSA-N 1 0 363.461 4.513 20 0 FJADRO CCOc1ccc(-c2noc(C[N@@H+]3C[C@@H](c4ccccc4)C[C@H]3C)n2)cc1 ZINC000604392915 568283112 /nfs/dbraw/zinc/28/31/12/568283112.db2.gz KPBVUEVTBNSTDA-APWZRJJASA-N 1 0 363.461 4.513 20 0 FJADRO Cc1sc2nc([C@H](C)[N@@H+]3C[C@H](c4ccccc4)C[C@H]3C)nc(N)c2c1C ZINC000604393904 568283754 /nfs/dbraw/zinc/28/37/54/568283754.db2.gz QLAQENNSSBCOIA-HACGYAERSA-N 1 0 366.534 4.829 20 0 FJADRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000604394117 568283993 /nfs/dbraw/zinc/28/39/93/568283993.db2.gz BNKMUDOWTAIGKO-WMLDXEAASA-N 1 0 353.853 4.768 20 0 FJADRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1noc(Cc2ccccc2)n1 ZINC000525796757 568286190 /nfs/dbraw/zinc/28/61/90/568286190.db2.gz HUYRGWMFLAADSS-NHCUHLMSSA-N 1 0 361.489 4.819 20 0 FJADRO FC(F)(F)[C@@H]1C[C@@H](C(F)(F)F)C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC000604383710 568287437 /nfs/dbraw/zinc/28/74/37/568287437.db2.gz FOQVEELHNXRHIN-HUUCEWRRSA-N 1 0 351.334 4.738 20 0 FJADRO O=C(CCc1ccc(Cl)cc1Cl)NCCCCC[NH+]1CCCCC1 ZINC000303554231 568292213 /nfs/dbraw/zinc/29/22/13/568292213.db2.gz WJBHYQZOHSFFEG-UHFFFAOYSA-N 1 0 371.352 4.698 20 0 FJADRO COc1ccc(-c2cc(C[N@@H+](Cc3ccc(F)cc3)CC3CC3)on2)cc1 ZINC000604396144 568295262 /nfs/dbraw/zinc/29/52/62/568295262.db2.gz FSGLEAJOCXBNIM-UHFFFAOYSA-N 1 0 366.436 4.902 20 0 FJADRO C[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(Br)cc1 ZINC000094370173 568297264 /nfs/dbraw/zinc/29/72/64/568297264.db2.gz OSCLMTKFZKEXAA-CJNGLKHVSA-N 1 0 370.356 4.545 20 0 FJADRO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000604492989 568303760 /nfs/dbraw/zinc/30/37/60/568303760.db2.gz UVKKFDPQUWDFMA-ZDUSSCGKSA-N 1 0 351.368 4.685 20 0 FJADRO COC(=O)c1cc(CN(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000604512537 568306570 /nfs/dbraw/zinc/30/65/70/568306570.db2.gz ZUJKSHUFTPPJOL-JTQLQIEISA-N 1 0 356.249 4.874 20 0 FJADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccsc1C(F)(F)F ZINC000637026257 568309355 /nfs/dbraw/zinc/30/93/55/568309355.db2.gz CABHLLSZRQTFRC-UHFFFAOYSA-N 1 0 368.424 4.923 20 0 FJADRO CC(C)[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1Cl ZINC000604575928 568315751 /nfs/dbraw/zinc/31/57/51/568315751.db2.gz YRJGLBIOXQEDLX-HXUWFJFHSA-N 1 0 373.928 4.598 20 0 FJADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)c2cccc(C)c2C)c1 ZINC000604578894 568316137 /nfs/dbraw/zinc/31/61/37/568316137.db2.gz DKSNOMVYWUKLOR-IBGZPJMESA-N 1 0 367.537 4.706 20 0 FJADRO COC1CCC([N@H+](C)CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000604607902 568326122 /nfs/dbraw/zinc/32/61/22/568326122.db2.gz CGMYXLAWDCHRPO-UHFFFAOYSA-N 1 0 359.432 4.754 20 0 FJADRO Cc1cccc([C@H](C)NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1C ZINC000604622775 568331836 /nfs/dbraw/zinc/33/18/36/568331836.db2.gz NJRGVIJGTJWORG-SFHVURJKSA-N 1 0 369.509 4.517 20 0 FJADRO CCC[NH+]1CCC(N(C)C(=O)N[C@H](c2ccccc2Cl)C(C)C)CC1 ZINC000604657361 568340033 /nfs/dbraw/zinc/34/00/33/568340033.db2.gz RKNZVMABUZEOIB-IBGZPJMESA-N 1 0 365.949 4.553 20 0 FJADRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](c2ccccc2Cl)C(C)C)CC1 ZINC000604657362 568340056 /nfs/dbraw/zinc/34/00/56/568340056.db2.gz RKNZVMABUZEOIB-LJQANCHMSA-N 1 0 365.949 4.553 20 0 FJADRO Cc1cccc([C@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1C ZINC000604669482 568344573 /nfs/dbraw/zinc/34/45/73/568344573.db2.gz KRACDNMDFMKLSR-LEWJYISDSA-N 1 0 371.569 4.662 20 0 FJADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000604699768 568347566 /nfs/dbraw/zinc/34/75/66/568347566.db2.gz HGHLYFJDXYRKBR-IRXDYDNUSA-N 1 0 358.432 4.549 20 0 FJADRO C[NH+](C)CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000604726585 568353331 /nfs/dbraw/zinc/35/33/31/568353331.db2.gz HAXXUIZTGGTHSA-VYDXJSESSA-N 1 0 371.352 4.580 20 0 FJADRO C[NH+](C)CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000604726586 568353377 /nfs/dbraw/zinc/35/33/77/568353377.db2.gz HAXXUIZTGGTHSA-ZOBUZTSGSA-N 1 0 371.352 4.580 20 0 FJADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@H](C)c1cccc(F)c1)c1ccccc1 ZINC000604744929 568356073 /nfs/dbraw/zinc/35/60/73/568356073.db2.gz TUNGBVDRKTUNDC-DLBZAZTESA-N 1 0 356.485 4.565 20 0 FJADRO CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000604736254 568358773 /nfs/dbraw/zinc/35/87/73/568358773.db2.gz SGALJVGXJIPTOK-QGZVFWFLSA-N 1 0 362.901 4.526 20 0 FJADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC000604741494 568359675 /nfs/dbraw/zinc/35/96/75/568359675.db2.gz YKAFKSHYWZDQHI-OAQYLSRUSA-N 1 0 364.533 4.532 20 0 FJADRO Cc1cc(Cl)ccc1Oc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000604758458 568360127 /nfs/dbraw/zinc/36/01/27/568360127.db2.gz SPHSGTLJZZPYPY-UHFFFAOYSA-N 1 0 372.896 4.528 20 0 FJADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000604767364 568362258 /nfs/dbraw/zinc/36/22/58/568362258.db2.gz IPVCXVKJDCNWBK-GOSISDBHSA-N 1 0 362.498 4.590 20 0 FJADRO OC[C@@H]([NH2+]Cc1cccc(OCC2CCCCC2)c1)c1cccc(F)c1 ZINC000604768731 568362645 /nfs/dbraw/zinc/36/26/45/568362645.db2.gz MRUDVYQKAPSODQ-JOCHJYFZSA-N 1 0 357.469 4.608 20 0 FJADRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(Br)cn1 ZINC000604773088 568363657 /nfs/dbraw/zinc/36/36/57/568363657.db2.gz KNBJTSFHSVDRLO-HNNXBMFYSA-N 1 0 353.691 4.608 20 0 FJADRO Cc1cc(Cl)ccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000604792319 568367735 /nfs/dbraw/zinc/36/77/35/568367735.db2.gz SWSWGMDHZHOOQZ-MRXNPFEDSA-N 1 0 371.912 4.996 20 0 FJADRO CC[C@H](C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000604860599 568379198 /nfs/dbraw/zinc/37/91/98/568379198.db2.gz HMSRXERYZCZNRO-WMZHIEFXSA-N 1 0 364.533 4.729 20 0 FJADRO CCC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)c1ccccc1 ZINC000604874113 568382625 /nfs/dbraw/zinc/38/26/25/568382625.db2.gz PENLCVZZMLHFLU-SFHVURJKSA-N 1 0 374.912 4.803 20 0 FJADRO COc1cc(OC)c(C2CC[NH+](C[C@@H](C)c3ccccc3)CC2)c(OC)c1 ZINC000604884787 568384608 /nfs/dbraw/zinc/38/46/08/568384608.db2.gz GHQPTMMBPOWXMU-QGZVFWFLSA-N 1 0 369.505 4.696 20 0 FJADRO Fc1ccc(CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C2CC2)cc1 ZINC000604903129 568385436 /nfs/dbraw/zinc/38/54/36/568385436.db2.gz OGCDZZXNGYWVFE-UHFFFAOYSA-N 1 0 354.400 4.827 20 0 FJADRO CC[C@H](C)N(Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000604914257 568388707 /nfs/dbraw/zinc/38/87/07/568388707.db2.gz ZJBDXOACQXWNAV-VQTJNVASSA-N 1 0 359.558 4.651 20 0 FJADRO Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000604944845 568403200 /nfs/dbraw/zinc/40/32/00/568403200.db2.gz FMLQPOWPKSRTGE-UHFFFAOYSA-N 1 0 374.484 4.888 20 0 FJADRO CCCC[C@@H](CC)CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000604976028 568468961 /nfs/dbraw/zinc/46/89/61/568468961.db2.gz GSAXIECFUUTDEJ-HXUWFJFHSA-N 1 0 358.570 4.964 20 0 FJADRO Cc1ncc(C[N@H+](C)CC/C=C/c2ccc(Br)cc2)s1 ZINC000604997316 568507871 /nfs/dbraw/zinc/50/78/71/568507871.db2.gz KEFVNRXXYAUPIE-HWKANZROSA-N 1 0 351.313 4.749 20 0 FJADRO CCc1ccc(C[NH+]2CCC(c3c(OC)cc(OC)cc3OC)CC2)cc1 ZINC000604997173 568507915 /nfs/dbraw/zinc/50/79/15/568507915.db2.gz VUKNGVTWKNIAQC-UHFFFAOYSA-N 1 0 369.505 4.654 20 0 FJADRO Brc1ccc(/C=C\CC[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000604997459 568508082 /nfs/dbraw/zinc/50/80/82/568508082.db2.gz YYEVMSNFSWMRGI-DVZSUYKVSA-N 1 0 372.310 4.522 20 0 FJADRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000605000339 568513848 /nfs/dbraw/zinc/51/38/48/568513848.db2.gz JLNOAELOKBNHLS-NSHDSACASA-N 1 0 370.316 4.571 20 0 FJADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)C1CCC(C(F)(F)F)CC1 ZINC000433172341 568521114 /nfs/dbraw/zinc/52/11/14/568521114.db2.gz HFMLZXNNUFXQFH-PNESKVBLSA-N 1 0 362.823 4.625 20 0 FJADRO Cc1cc(-c2noc([C@@H](C)[NH2+]C[C@@H]3CCc4ccccc4C3)n2)ccc1F ZINC000605007997 568521117 /nfs/dbraw/zinc/52/11/17/568521117.db2.gz PCXOOFWJMSYCJH-HZPDHXFCSA-N 1 0 365.452 4.640 20 0 FJADRO CCOC1CC[NH+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000643284545 568525714 /nfs/dbraw/zinc/52/57/14/568525714.db2.gz IPCKGSIWXPAOHU-UHFFFAOYSA-N 1 0 353.510 4.666 20 0 FJADRO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3C(C)C)o2)cc1 ZINC000605026145 568531062 /nfs/dbraw/zinc/53/10/62/568531062.db2.gz CUIWQUHQWPRQLT-LJQANCHMSA-N 1 0 357.498 4.926 20 0 FJADRO CCc1ccc(-c2csc(NC(=O)c3cccc(-n4ccnc4)c3)n2)cc1 ZINC000605078407 568555797 /nfs/dbraw/zinc/55/57/97/568555797.db2.gz FNNCBSFORSCEEE-UHFFFAOYSA-N 1 0 374.469 4.811 20 0 FJADRO CCCCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605102763 568566276 /nfs/dbraw/zinc/56/62/76/568566276.db2.gz LBARDHMTTDSFTJ-LPHOPBHVSA-N 1 0 370.459 4.785 20 0 FJADRO CCCCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605102764 568566319 /nfs/dbraw/zinc/56/63/19/568566319.db2.gz LBARDHMTTDSFTJ-QFBILLFUSA-N 1 0 370.459 4.785 20 0 FJADRO C[NH+](C)CCc1ccc(NC(=O)c2ccc(OC3CCCCC3)cc2)cc1 ZINC000605090681 568568486 /nfs/dbraw/zinc/56/84/86/568568486.db2.gz FRQBGLWSAXJMQP-UHFFFAOYSA-N 1 0 366.505 4.755 20 0 FJADRO C[C@@](CO)([NH2+]Cc1cccc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000605151938 568580638 /nfs/dbraw/zinc/58/06/38/568580638.db2.gz JADSHCGZQRMZAV-FQEVSTJZSA-N 1 0 359.391 4.856 20 0 FJADRO FC(F)(F)[C@H]1C[C@H](C(F)(F)F)C[NH+](CCSc2ccccc2)C1 ZINC000605150021 568587079 /nfs/dbraw/zinc/58/70/79/568587079.db2.gz FMPKVPKDEAMAEU-RYUDHWBXSA-N 1 0 357.363 4.841 20 0 FJADRO CC(C)c1ccccc1NC(=O)[C@H](C)N1CCS[C@@H](c2ccccc2)C1 ZINC000605155483 568600290 /nfs/dbraw/zinc/60/02/90/568600290.db2.gz RYHIZXLAQWZTEO-LAUBAEHRSA-N 1 0 368.546 4.927 20 0 FJADRO CC(C)c1ccccc1NC(=O)[C@H](C)N1CCS[C@H](c2ccccc2)C1 ZINC000605155485 568600340 /nfs/dbraw/zinc/60/03/40/568600340.db2.gz RYHIZXLAQWZTEO-UWJYYQICSA-N 1 0 368.546 4.927 20 0 FJADRO c1csc(-c2noc(CCC[N@@H+]3CCS[C@H](c4ccccc4)C3)n2)c1 ZINC000605155670 568600776 /nfs/dbraw/zinc/60/07/76/568600776.db2.gz XKGYZIVQWMREHH-KRWDZBQOSA-N 1 0 371.531 4.521 20 0 FJADRO COc1ccc(-c2cc(C[N@@H+]3CCS[C@H](c4ccccc4)C3)on2)cc1 ZINC000605156063 568601565 /nfs/dbraw/zinc/60/15/65/568601565.db2.gz IWPRGUYATXVQHV-NRFANRHFSA-N 1 0 366.486 4.640 20 0 FJADRO CCOc1ccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1OCC ZINC000605187675 568615379 /nfs/dbraw/zinc/61/53/79/568615379.db2.gz JPBGSYQVETVBBO-NRFANRHFSA-N 1 0 357.519 4.774 20 0 FJADRO O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000050029405 568664242 /nfs/dbraw/zinc/66/42/42/568664242.db2.gz XBGWZEHQNVPTFX-UHFFFAOYSA-N 1 0 361.445 4.553 20 0 FJADRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccsc1 ZINC000606198810 568718043 /nfs/dbraw/zinc/71/80/43/568718043.db2.gz GBZQTKOTLBWIDU-QGZVFWFLSA-N 1 0 356.535 4.544 20 0 FJADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164418510 718893673 /nfs/dbraw/zinc/89/36/73/718893673.db2.gz CSLOTJJBRVQOLV-QGZVFWFLSA-N 1 0 369.887 4.516 20 0 FJADRO CC(C)(c1ccnc(Cl)c1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164625038 719113184 /nfs/dbraw/zinc/11/31/84/719113184.db2.gz GCWMEODYDLMPPT-UYAOXDASSA-N 1 0 369.940 4.567 20 0 FJADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(C)C)cn2)CC3)cs1 ZINC001164692763 719809893 /nfs/dbraw/zinc/80/98/93/719809893.db2.gz MJDFGVCSURHEGG-UHFFFAOYSA-N 1 0 370.566 4.605 20 0 FJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164794876 721507890 /nfs/dbraw/zinc/50/78/90/721507890.db2.gz FBBTXZZLLRNZGN-UWJYYQICSA-N 1 0 371.912 4.546 20 0 FJADRO Clc1cc(-c2ccnc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2)ccn1 ZINC001165049681 721967780 /nfs/dbraw/zinc/96/77/80/721967780.db2.gz UKODWEMDNQCPPO-IBGZPJMESA-N 1 0 370.928 4.642 20 0 FJADRO Clc1ncc(-c2ccccc2)c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165049348 721971095 /nfs/dbraw/zinc/97/10/95/721971095.db2.gz RJBFUCQVJLZODK-GOSISDBHSA-N 1 0 370.928 4.642 20 0 FJADRO Clc1ccccc1-c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nn1 ZINC001165046652 721973011 /nfs/dbraw/zinc/97/30/11/721973011.db2.gz CHFSCOGWKYODIO-KRWDZBQOSA-N 1 0 370.928 4.642 20 0 FJADRO CC[NH+](CC)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC001165053025 722001631 /nfs/dbraw/zinc/00/16/31/722001631.db2.gz HZBAVRULQGGIAN-UHFFFAOYSA-N 1 0 366.534 4.669 20 0 FJADRO CC[NH+](CC)C1CCN(C(F)(F)c2cc3ccccc3nc2Cl)CC1 ZINC001165053089 722004327 /nfs/dbraw/zinc/00/43/27/722004327.db2.gz IBKUXOOKOOXHMU-UHFFFAOYSA-N 1 0 367.871 4.744 20 0 FJADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc32)CC1 ZINC001165053301 722005436 /nfs/dbraw/zinc/00/54/36/722005436.db2.gz LRWKMDBFKHFDDH-UHFFFAOYSA-N 1 0 374.532 4.916 20 0 FJADRO CC[NH+](CC)C1CCN(c2cc(SCc3ccccc3)ccn2)CC1 ZINC001165053759 722006332 /nfs/dbraw/zinc/00/63/32/722006332.db2.gz FNFDQBUOXOJTRW-UHFFFAOYSA-N 1 0 355.551 4.685 20 0 FJADRO CC[NH+](CC)C1CCN(c2nc(-c3ccccc3Cl)nc(C)c2C)CC1 ZINC001165054461 722006681 /nfs/dbraw/zinc/00/66/81/722006681.db2.gz MZSXUNHAGZLCHB-UHFFFAOYSA-N 1 0 372.944 4.724 20 0 FJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc4ccccc4cn2)C3)c1 ZINC001164993672 722194736 /nfs/dbraw/zinc/19/47/36/722194736.db2.gz HFGFKSNECLHYRI-QHCPKHFHSA-N 1 0 361.464 4.619 20 0 FJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nccc4ccsc42)C3)c1 ZINC001164993276 722196825 /nfs/dbraw/zinc/19/68/25/722196825.db2.gz DZEGIHWNTLWAFS-OAQYLSRUSA-N 1 0 367.493 4.680 20 0 FJADRO CCSc1ccnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995877 722212279 /nfs/dbraw/zinc/21/22/79/722212279.db2.gz LDAFNGZCWYNFDQ-OAQYLSRUSA-N 1 0 371.525 4.578 20 0 FJADRO Cc1sc(CC[NH2+][C@@H](C)c2cn3ccccc3n2)nc1-c1ccccc1 ZINC000559917282 370703102 /nfs/dbraw/zinc/70/31/02/370703102.db2.gz YKKJHHJCWMVGJJ-HNNXBMFYSA-N 1 0 362.502 4.660 20 0 FJADRO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000008126515 204317475 /nfs/dbraw/zinc/31/74/75/204317475.db2.gz OSXHEOGDIFBSFF-NRFANRHFSA-N 1 0 350.506 4.759 20 0 FJADRO c1ccc2c(c1)COC21CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000040380410 205068034 /nfs/dbraw/zinc/06/80/34/205068034.db2.gz JAZATSPDURFLGC-UHFFFAOYSA-N 1 0 356.469 4.770 20 0 FJADRO Brc1ccc(C[NH2+]Cc2ccccc2Br)cc1 ZINC000042238833 205093942 /nfs/dbraw/zinc/09/39/42/205093942.db2.gz SGIPNBCJUKHGIK-UHFFFAOYSA-N 1 0 355.073 4.501 20 0 FJADRO Cc1c2cc(Cl)ccc2oc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000107602748 206020778 /nfs/dbraw/zinc/02/07/78/206020778.db2.gz UTGGFVBUBSQOPJ-AWEZNQCLSA-N 1 0 362.901 4.637 20 0 FJADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2sccc2-c2ccccc2)C1 ZINC000107711524 206021009 /nfs/dbraw/zinc/02/10/09/206021009.db2.gz YYQOBWDRLIQCOW-CALCHBBNSA-N 1 0 356.535 4.513 20 0 FJADRO CC1CC[NH+](Cc2ccc(NC(=O)Cc3ccccc3Cl)cc2)CC1 ZINC000107677711 206021476 /nfs/dbraw/zinc/02/14/76/206021476.db2.gz ZZDNFJOEKVEUKE-UHFFFAOYSA-N 1 0 356.897 4.753 20 0 FJADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(C)(C)c3ccccc3)cc2)C1 ZINC000107590642 206021643 /nfs/dbraw/zinc/02/16/43/206021643.db2.gz OWHJHMAZXZLIQJ-GOSISDBHSA-N 1 0 350.506 4.835 20 0 FJADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c1 ZINC000107857135 206025221 /nfs/dbraw/zinc/02/52/21/206025221.db2.gz ZBXORRBDMGQHIL-UHFFFAOYSA-N 1 0 370.541 4.856 20 0 FJADRO CC[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(OC)cc1 ZINC000038038944 211366434 /nfs/dbraw/zinc/36/64/34/211366434.db2.gz KAMCEFVRDSFYGH-QGZVFWFLSA-N 1 0 352.247 4.838 20 0 FJADRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(Br)s1 ZINC000038001887 211345006 /nfs/dbraw/zinc/34/50/06/211345006.db2.gz BUOUJAZYSGUTQM-OLZOCXBDSA-N 1 0 369.328 4.591 20 0 FJADRO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038002082 211343431 /nfs/dbraw/zinc/34/34/31/211343431.db2.gz UIPZADSPCLXOKE-LLVKDONJSA-N 1 0 364.312 4.520 20 0 FJADRO FC(F)(F)Oc1ccc(C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000037979576 211332858 /nfs/dbraw/zinc/33/28/58/211332858.db2.gz NACNNYFKTDEFAA-UHFFFAOYSA-N 1 0 366.202 4.699 20 0 FJADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1ccc2c(c1)OCO2 ZINC000038002654 211339941 /nfs/dbraw/zinc/33/99/41/211339941.db2.gz VDFZQCIUVYKJBD-ZJUUUORDSA-N 1 0 354.269 4.651 20 0 FJADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000605951702 567835338 /nfs/dbraw/zinc/83/53/38/567835338.db2.gz FILSAELBOPGYGV-RBUKOAKNSA-N 1 0 361.530 4.561 20 0 FJADRO Cc1cccc(C(C)(C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000605955150 567860195 /nfs/dbraw/zinc/86/01/95/567860195.db2.gz YEZJLVQZYCUPCF-UHFFFAOYSA-N 1 0 367.537 4.570 20 0 FJADRO COc1cc2ccccc2cc1C(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000601962584 567887898 /nfs/dbraw/zinc/88/78/98/567887898.db2.gz NXONESSFUCWSQN-UHFFFAOYSA-N 1 0 374.484 4.589 20 0 FJADRO C[NH+]1CCC(N(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c2ccccc2)CC1 ZINC000601963943 567888558 /nfs/dbraw/zinc/88/85/58/567888558.db2.gz YKDFLTFIPRQBSO-WOJBJXKFSA-N 1 0 368.908 4.571 20 0 FJADRO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000602238747 567954863 /nfs/dbraw/zinc/95/48/63/567954863.db2.gz DCJVVJKARYNENJ-KXBFYZLASA-N 1 0 360.295 4.974 20 0 FJADRO COc1ccccc1-c1cc(C[NH2+][C@H]2CCCc3c(OC)cccc32)on1 ZINC000658358763 567960092 /nfs/dbraw/zinc/96/00/92/567960092.db2.gz YEJYBZMAIQIEOU-IBGZPJMESA-N 1 0 364.445 4.526 20 0 FJADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000521415318 567960600 /nfs/dbraw/zinc/96/06/00/567960600.db2.gz FJXVNJXOUOCSNU-DNVCBOLYSA-N 1 0 374.525 4.806 20 0 FJADRO COc1ccccc1-c1cc(C[NH2+][C@@H]2CCCc3c(OC)cccc32)on1 ZINC000658358767 567960759 /nfs/dbraw/zinc/96/07/59/567960759.db2.gz YEJYBZMAIQIEOU-LJQANCHMSA-N 1 0 364.445 4.526 20 0 FJADRO CC[NH+](CC)CCCC1CCN(C(=O)C2(Cc3ccccc3F)CC2)CC1 ZINC000188580186 567967230 /nfs/dbraw/zinc/96/72/30/567967230.db2.gz WOAWKDXLIUSBJH-UHFFFAOYSA-N 1 0 374.544 4.509 20 0 FJADRO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(OCc3ccccn3)cc2)c1 ZINC000063319366 567972950 /nfs/dbraw/zinc/97/29/50/567972950.db2.gz TZNURKNILLZZCI-SFHVURJKSA-N 1 0 362.473 4.910 20 0 FJADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000602550745 567990664 /nfs/dbraw/zinc/99/06/64/567990664.db2.gz YLFBHSGJHRFAPV-NSHDSACASA-N 1 0 355.240 4.730 20 0 FJADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)ccc1OC(F)F ZINC000602562566 567991770 /nfs/dbraw/zinc/99/17/70/567991770.db2.gz ABWPGRSQWSWUAN-MNOVXSKESA-N 1 0 357.347 4.987 20 0 FJADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)ccc1OC(F)F ZINC000602562541 567991785 /nfs/dbraw/zinc/99/17/85/567991785.db2.gz ABWPGRSQWSWUAN-GHMZBOCLSA-N 1 0 357.347 4.987 20 0 FJADRO COc1cc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)ccc1OC(F)F ZINC000602562571 567991840 /nfs/dbraw/zinc/99/18/40/567991840.db2.gz ABWPGRSQWSWUAN-WDEREUQCSA-N 1 0 357.347 4.987 20 0 FJADRO C[C@H]([NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc(F)ccc1F ZINC000602584079 567994117 /nfs/dbraw/zinc/99/41/17/567994117.db2.gz CSTSNBQHHBNVPO-KSSFIOAISA-N 1 0 365.427 4.630 20 0 FJADRO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000521424442 567995011 /nfs/dbraw/zinc/99/50/11/567995011.db2.gz DCFYSXGIHCITPT-FQEVSTJZSA-N 1 0 350.437 4.996 20 0 FJADRO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000602567252 567995718 /nfs/dbraw/zinc/99/57/18/567995718.db2.gz MAURYOOQPMOLBY-CHWSQXEVSA-N 1 0 373.294 4.746 20 0 FJADRO C[C@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1ccc(F)cc1 ZINC000602567232 567995751 /nfs/dbraw/zinc/99/57/51/567995751.db2.gz LGTQCGUODWLKAL-KRWDZBQOSA-N 1 0 369.484 4.813 20 0 FJADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)cc1 ZINC000602570205 567996025 /nfs/dbraw/zinc/99/60/25/567996025.db2.gz ALTUOTXEXNJBTE-ZIAGYGMSSA-N 1 0 361.436 4.907 20 0 FJADRO c1ccc(C[N@H+]2CCC[C@@H](SCc3nnc(-c4ccccc4)o3)C2)cc1 ZINC000521435106 568003902 /nfs/dbraw/zinc/00/39/02/568003902.db2.gz OVRWQNQJNJZQKR-LJQANCHMSA-N 1 0 365.502 4.634 20 0 FJADRO C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000602879902 568004109 /nfs/dbraw/zinc/00/41/09/568004109.db2.gz HOHLNVOBMBTRMU-QZTJIDSGSA-N 1 0 352.522 4.775 20 0 FJADRO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000187030663 568004299 /nfs/dbraw/zinc/00/42/99/568004299.db2.gz JISKVEOUFSJYJR-FQEVSTJZSA-N 1 0 374.594 4.857 20 0 FJADRO CCOc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000521426051 568006258 /nfs/dbraw/zinc/00/62/58/568006258.db2.gz ZYSBDKXKRLROFY-FQEVSTJZSA-N 1 0 352.478 4.641 20 0 FJADRO Cc1csc(CCCC[NH2+]Cc2c(Cl)cccc2OC(F)F)n1 ZINC000602910944 568011157 /nfs/dbraw/zinc/01/11/57/568011157.db2.gz PAYKXJYXQLVFEB-UHFFFAOYSA-N 1 0 360.857 4.819 20 0 FJADRO CC1(C[NH2+]Cc2c(Cl)cccc2OCc2ccccc2Cl)COC1 ZINC000602915071 568011956 /nfs/dbraw/zinc/01/19/56/568011956.db2.gz DGXVFGOMHJKDKZ-UHFFFAOYSA-N 1 0 366.288 4.699 20 0 FJADRO CSC1CC[NH+]([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000602920543 568013127 /nfs/dbraw/zinc/01/31/27/568013127.db2.gz PEUNWWHPUFXWOI-JTQLQIEISA-N 1 0 372.321 4.932 20 0 FJADRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000186936296 568017498 /nfs/dbraw/zinc/01/74/98/568017498.db2.gz LYDHXZCKMVVPIA-QGZVFWFLSA-N 1 0 373.518 4.656 20 0 FJADRO COC(=O)c1ccc(C[N@H+]([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000064932826 568025740 /nfs/dbraw/zinc/02/57/40/568025740.db2.gz NXCIXBYBDWXLDF-LBPRGKRZSA-N 1 0 367.367 4.811 20 0 FJADRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccnc(N3CCCC3)c1)CCS2 ZINC000186979824 568034294 /nfs/dbraw/zinc/03/42/94/568034294.db2.gz JSPMYCTWNCCJJW-LJQANCHMSA-N 1 0 353.535 4.625 20 0 FJADRO Cc1ccc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000522756443 568040700 /nfs/dbraw/zinc/04/07/00/568040700.db2.gz VSPVIQLUNQGZFV-APWZRJJASA-N 1 0 366.427 4.780 20 0 FJADRO Cc1ccc(C[C@@H]2CCCN([C@@H](C)C(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000065261028 568047593 /nfs/dbraw/zinc/04/75/93/568047593.db2.gz VMPJTNWKIZXFMX-WMZOPIPTSA-N 1 0 372.459 4.555 20 0 FJADRO COc1ccc(C[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)c(OC)c1OC ZINC000187026322 568049567 /nfs/dbraw/zinc/04/95/67/568049567.db2.gz JAEINVDLSRSXAX-QGZVFWFLSA-N 1 0 373.518 4.656 20 0 FJADRO Cc1ccsc1CN[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000028383806 568071114 /nfs/dbraw/zinc/07/11/14/568071114.db2.gz GVPDWJWFEFODHX-FQEVSTJZSA-N 1 0 350.487 4.835 20 0 FJADRO COc1cccc(C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)c1OC ZINC000067011480 568073097 /nfs/dbraw/zinc/07/30/97/568073097.db2.gz KSPQFJRWAVMLPS-UHFFFAOYSA-N 1 0 353.384 4.748 20 0 FJADRO CC(=O)Nc1ccc(C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)cc1 ZINC000067011477 568073134 /nfs/dbraw/zinc/07/31/34/568073134.db2.gz LHEYQZUFNRFGHG-UHFFFAOYSA-N 1 0 350.384 4.689 20 0 FJADRO C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C1CC[NH+](C)CC1 ZINC000603326540 568088329 /nfs/dbraw/zinc/08/83/29/568088329.db2.gz XCQIXTXOFDNZRH-OAHLLOKOSA-N 1 0 372.896 4.592 20 0 FJADRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1 ZINC000603518873 568112658 /nfs/dbraw/zinc/11/26/58/568112658.db2.gz OOAGUCLYKBDWRG-HSZRJFAPSA-N 1 0 372.468 4.925 20 0 FJADRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000603518920 568112917 /nfs/dbraw/zinc/11/29/17/568112917.db2.gz QGHNOEOODZPTHR-CQSZACIVSA-N 1 0 369.795 4.563 20 0 FJADRO C[C@H](NC(=O)Nc1cccc(C(C)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187033094 568115247 /nfs/dbraw/zinc/11/52/47/568115247.db2.gz KHSPRHPXDYYQOE-LSDHHAIUSA-N 1 0 365.468 4.573 20 0 FJADRO CCN(Cc1ccoc1)C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000603611713 568126169 /nfs/dbraw/zinc/12/61/69/568126169.db2.gz NUFAWLMYETXYQL-GOSISDBHSA-N 1 0 371.525 4.721 20 0 FJADRO CCOC(=O)CCCCC[NH+]1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000522775186 568127580 /nfs/dbraw/zinc/12/75/80/568127580.db2.gz BQCQVKMPZFPHMJ-UHFFFAOYSA-N 1 0 356.510 4.779 20 0 FJADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000603687108 568135728 /nfs/dbraw/zinc/13/57/28/568135728.db2.gz JXKBAERQMDVIGW-JKSUJKDBSA-N 1 0 374.525 4.767 20 0 FJADRO Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)c(C[NH+](C)C)c1 ZINC000603694529 568136756 /nfs/dbraw/zinc/13/67/56/568136756.db2.gz CGSMXMURFOBUOF-UHFFFAOYSA-N 1 0 360.885 4.508 20 0 FJADRO Cc1ccc(NC(=O)CCSc2ccc(Cl)cc2)c(C[NH+](C)C)c1 ZINC000603695190 568136787 /nfs/dbraw/zinc/13/67/87/568136787.db2.gz PAWXZOVXDFFWSR-UHFFFAOYSA-N 1 0 362.926 4.831 20 0 FJADRO c1ccc(-c2ncc(C[NH2+]CCCO[C@H]3CCCc4ccccc43)cn2)cc1 ZINC000603723584 568142239 /nfs/dbraw/zinc/14/22/39/568142239.db2.gz IDDWRHRBZNYQFU-QHCPKHFHSA-N 1 0 373.500 4.718 20 0 FJADRO C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1C(F)(F)F ZINC000056621271 568144794 /nfs/dbraw/zinc/14/47/94/568144794.db2.gz NQCYVOVICYFKQW-ZDUSSCGKSA-N 1 0 365.399 4.650 20 0 FJADRO Cc1ccc(-c2csc3ncnc(N[C@@H](C)C4CC[NH+](C)CC4)c23)cc1 ZINC000603820576 568148732 /nfs/dbraw/zinc/14/87/32/568148732.db2.gz CSHRNEVLGNHWOD-HNNXBMFYSA-N 1 0 366.534 4.809 20 0 FJADRO C[C@H](C(=O)Nc1ccccc1SCC(F)(F)F)[NH+]1CCCCCC1 ZINC000603793801 568164887 /nfs/dbraw/zinc/16/48/87/568164887.db2.gz QLLABDRMYVISNF-CYBMUJFWSA-N 1 0 360.445 4.544 20 0 FJADRO CCCC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C1CC1 ZINC000026450563 568181143 /nfs/dbraw/zinc/18/11/43/568181143.db2.gz ZZBGSGGRFQPKKP-NRFANRHFSA-N 1 0 356.535 4.527 20 0 FJADRO CCCC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)C1CC1 ZINC000026450564 568181197 /nfs/dbraw/zinc/18/11/97/568181197.db2.gz ZZBGSGGRFQPKKP-OAQYLSRUSA-N 1 0 356.535 4.527 20 0 FJADRO CC[C@H]1c2ccccc2CC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000603944050 568185789 /nfs/dbraw/zinc/18/57/89/568185789.db2.gz FVTJXPHJDQZQIS-KRWDZBQOSA-N 1 0 353.491 4.740 20 0 FJADRO CCOc1cc(CN(C)Cc2csc(C(C)C)n2)ccc1OC(F)F ZINC000051706461 568190455 /nfs/dbraw/zinc/19/04/55/568190455.db2.gz HYPRLMVCDNUREP-UHFFFAOYSA-N 1 0 370.465 4.899 20 0 FJADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000563109358 568197623 /nfs/dbraw/zinc/19/76/23/568197623.db2.gz YIMOTAHNDRQTCQ-NPZRNVLXSA-N 1 0 352.265 4.883 20 0 FJADRO COc1cc(CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)ccc1O ZINC000604069262 568206022 /nfs/dbraw/zinc/20/60/22/568206022.db2.gz LIHBZQBEHQBWHO-UHFFFAOYSA-N 1 0 357.837 4.647 20 0 FJADRO COc1cc(CC[NH2+]Cc2ccc(N(C)c3ccccc3)cc2)ccc1O ZINC000604069264 568206057 /nfs/dbraw/zinc/20/60/57/568206057.db2.gz LTUAWYRIAVDATE-UHFFFAOYSA-N 1 0 362.473 4.501 20 0 FJADRO CCCCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H](CC)c1ccccc1 ZINC000604075775 568207941 /nfs/dbraw/zinc/20/79/41/568207941.db2.gz ZCVSMWNZSWLHCJ-QFIPXVFZSA-N 1 0 371.569 4.824 20 0 FJADRO CCCCc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000604079255 568208523 /nfs/dbraw/zinc/20/85/23/568208523.db2.gz DIBDGNOLYRDRPN-DLBZAZTESA-N 1 0 356.510 4.512 20 0 FJADRO CC(C)c1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604089171 568210152 /nfs/dbraw/zinc/21/01/52/568210152.db2.gz UKPAWZYXNCYGKX-IBGZPJMESA-N 1 0 351.494 4.596 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000604198930 568225056 /nfs/dbraw/zinc/22/50/56/568225056.db2.gz LRIZYRVVYQHTFZ-VFNWGFHPSA-N 1 0 374.550 4.536 20 0 FJADRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(Cl)c1 ZINC000607813461 568227306 /nfs/dbraw/zinc/22/73/06/568227306.db2.gz YHGKXSIUOBSIOD-OAHLLOKOSA-N 1 0 374.937 4.631 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](c2ccccc2Cl)C(C)C)o1 ZINC000604234388 568231743 /nfs/dbraw/zinc/23/17/43/568231743.db2.gz PWNTWFZBHJMWDW-IBGZPJMESA-N 1 0 362.901 4.902 20 0 FJADRO CC1CCC([N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000302769663 568235378 /nfs/dbraw/zinc/23/53/78/568235378.db2.gz YEOJMDOVZQGBHO-RVAKQSJFSA-N 1 0 374.525 4.603 20 0 FJADRO CC1CCC(CC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000604324063 568249478 /nfs/dbraw/zinc/24/94/78/568249478.db2.gz WFUJTPGJYPJEBS-UHFFFAOYSA-N 1 0 356.554 4.573 20 0 FJADRO CCCCN(C(=O)C[C@H](C)c1cccnc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000604328125 568250397 /nfs/dbraw/zinc/25/03/97/568250397.db2.gz HNNWBCDRESTESW-KRWDZBQOSA-N 1 0 359.558 4.513 20 0 FJADRO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000303171401 568255402 /nfs/dbraw/zinc/25/54/02/568255402.db2.gz RGNCKNYSUWKNJJ-UTKZUKDTSA-N 1 0 356.485 4.519 20 0 FJADRO CCC(CC)(C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000303159905 568256981 /nfs/dbraw/zinc/25/69/81/568256981.db2.gz PEJPXKCILAQSTD-UHFFFAOYSA-N 1 0 364.961 4.777 20 0 FJADRO C[C@H]([NH3+])[C@H]1CCCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000563130467 568262201 /nfs/dbraw/zinc/26/22/01/568262201.db2.gz OWKJOAOLSNSPQM-RYUDHWBXSA-N 1 0 370.349 4.676 20 0 FJADRO C[C@@H](c1ccc2ccccc2c1)[N@H+](CC(=O)N(C)Cc1ccco1)C1CC1 ZINC000303282209 568264279 /nfs/dbraw/zinc/26/42/79/568264279.db2.gz UUJPIYJPQSBQQZ-KRWDZBQOSA-N 1 0 362.473 4.617 20 0 FJADRO CC[C@@H](C)Oc1cc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)ccc1OC ZINC000604417270 568275459 /nfs/dbraw/zinc/27/54/59/568275459.db2.gz STEKTPNMJXHREY-UYAOXDASSA-N 1 0 368.521 4.631 20 0 FJADRO CC(C)(C)n1cc(C[NH2+]CCSCc2cccc3ccccc32)cn1 ZINC000604417867 568276008 /nfs/dbraw/zinc/27/60/08/568276008.db2.gz FWPWIRBMTUNFQL-UHFFFAOYSA-N 1 0 353.535 4.814 20 0 FJADRO Cc1ccc(C[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc(C)c2)c2ccccn2)cc1 ZINC000604414095 568278700 /nfs/dbraw/zinc/27/87/00/568278700.db2.gz WXWDXOBPBZVRBC-AUSIDOKSSA-N 1 0 373.500 4.599 20 0 FJADRO Cc1nc2ccccc2n1CC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000604414718 568279454 /nfs/dbraw/zinc/27/94/54/568279454.db2.gz OXDPJGIHDVWZCK-UHFFFAOYSA-N 1 0 363.436 4.842 20 0 FJADRO C[C@@H]([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1ccc2c(c1)OCO2 ZINC000604414838 568279591 /nfs/dbraw/zinc/27/95/91/568279591.db2.gz CWIVXDFZSGBMFK-GFCCVEGCSA-N 1 0 357.356 4.804 20 0 FJADRO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000604392999 568283109 /nfs/dbraw/zinc/28/31/09/568283109.db2.gz QGDBBLCYUDPIPA-IIAWOOMASA-N 1 0 360.860 4.684 20 0 FJADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000604393224 568283187 /nfs/dbraw/zinc/28/31/87/568283187.db2.gz WNOUCJWHCDUSJO-PBHICJAKSA-N 1 0 353.853 4.768 20 0 FJADRO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000604393206 568283257 /nfs/dbraw/zinc/28/32/57/568283257.db2.gz UVIYMFSPBAUCKW-QUCCMNQESA-N 1 0 350.506 4.935 20 0 FJADRO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)c(C)c1 ZINC000604394471 568284451 /nfs/dbraw/zinc/28/44/51/568284451.db2.gz NTXQEOCGCKDQLJ-SVFBPWRDSA-N 1 0 350.506 4.817 20 0 FJADRO O=C(C[NH+](CC1CC1)CC1CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000604394929 568284841 /nfs/dbraw/zinc/28/48/41/568284841.db2.gz WWRNOLVUDHYMTB-UHFFFAOYSA-N 1 0 361.700 4.707 20 0 FJADRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1noc(Cc2ccccc2)n1 ZINC000525796756 568286146 /nfs/dbraw/zinc/28/61/46/568286146.db2.gz HUYRGWMFLAADSS-LEWJYISDSA-N 1 0 361.489 4.819 20 0 FJADRO Cc1ccc([C@H](Cc2ccccc2Br)[NH2+]C2CCOCC2)cc1 ZINC000463551082 568295828 /nfs/dbraw/zinc/29/58/28/568295828.db2.gz HRCIOYHYRKCUTH-FQEVSTJZSA-N 1 0 374.322 4.810 20 0 FJADRO CC(C)Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000604713493 568355161 /nfs/dbraw/zinc/35/51/61/568355161.db2.gz FPHFDWFQBVTQDB-LJQANCHMSA-N 1 0 364.533 4.841 20 0 FJADRO Cc1ccc(CCCC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000604713937 568355224 /nfs/dbraw/zinc/35/52/24/568355224.db2.gz CBRADQVFLIVPLH-HXUWFJFHSA-N 1 0 364.533 4.660 20 0 FJADRO C[C@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(F)c1 ZINC000604738955 568359190 /nfs/dbraw/zinc/35/91/90/568359190.db2.gz DCSFPCIIVYSBMN-GOSISDBHSA-N 1 0 368.496 4.622 20 0 FJADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@H](C)c2ccccc2C)CC1 ZINC000604741492 568359643 /nfs/dbraw/zinc/35/96/43/568359643.db2.gz YKAFKSHYWZDQHI-NRFANRHFSA-N 1 0 364.533 4.532 20 0 FJADRO Cc1ccccc1[C@H](C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000604742281 568359832 /nfs/dbraw/zinc/35/98/32/568359832.db2.gz RMMPFYBUMOJEKH-IRLDBZIGSA-N 1 0 364.533 4.517 20 0 FJADRO Cc1ccc([C@H]2CSCCN2Cc2cnc3c(cnn3C(C)C)c2)cc1 ZINC000604761734 568361391 /nfs/dbraw/zinc/36/13/91/568361391.db2.gz ULNLYGLJHXCLLF-HXUWFJFHSA-N 1 0 366.534 4.611 20 0 FJADRO COc1cc(C[NH2+]C2(C)CCC(C)CC2)ccc1OCc1ccncc1 ZINC000604763633 568361592 /nfs/dbraw/zinc/36/15/92/568361592.db2.gz DFRMTMAYKARYCL-UHFFFAOYSA-N 1 0 354.494 4.728 20 0 FJADRO OC[C@@H]([NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000604765086 568361809 /nfs/dbraw/zinc/36/18/09/568361809.db2.gz ACPDRWBGEKXIAE-HSZRJFAPSA-N 1 0 356.469 4.513 20 0 FJADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000604766974 568362190 /nfs/dbraw/zinc/36/21/90/568362190.db2.gz ZALKEOYTGAYTSR-JOCHJYFZSA-N 1 0 356.469 4.528 20 0 FJADRO CCCc1ccc(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000604767140 568362267 /nfs/dbraw/zinc/36/22/67/568362267.db2.gz NXZJNEPBVZUZIO-LJQANCHMSA-N 1 0 351.412 4.655 20 0 FJADRO C[C@@](CO)([NH2+]Cc1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1 ZINC000604767296 568362272 /nfs/dbraw/zinc/36/22/72/568362272.db2.gz IBBJPDKWNJZIBC-FQEVSTJZSA-N 1 0 359.391 4.856 20 0 FJADRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC000604772885 568363599 /nfs/dbraw/zinc/36/35/99/568363599.db2.gz UYCRTXMASBVEMV-FGZHOGPDSA-N 1 0 350.506 4.527 20 0 FJADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000604773219 568363701 /nfs/dbraw/zinc/36/37/01/568363701.db2.gz QUFIMRQBLQFXCT-HXUWFJFHSA-N 1 0 353.897 4.696 20 0 FJADRO COc1cc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c(C2CC2)cc1Cl ZINC000655529962 568366141 /nfs/dbraw/zinc/36/61/41/568366141.db2.gz FKSJWHIYQNNADG-BUXKBTBVSA-N 1 0 358.869 4.501 20 0 FJADRO COc1cc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c(C2CC2)cc1Cl ZINC000655529961 568366148 /nfs/dbraw/zinc/36/61/48/568366148.db2.gz FKSJWHIYQNNADG-BLVKFPJESA-N 1 0 358.869 4.501 20 0 FJADRO CC(C)CCC[C@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000604784445 568366293 /nfs/dbraw/zinc/36/62/93/568366293.db2.gz CFWSGCTYTRBWGX-OALUTQOASA-N 1 0 359.558 4.726 20 0 FJADRO CC(C)CCC[C@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000604784446 568366336 /nfs/dbraw/zinc/36/63/36/568366336.db2.gz CFWSGCTYTRBWGX-RBUKOAKNSA-N 1 0 359.558 4.726 20 0 FJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCC2CCCCC2)CC1 ZINC000604785075 568366428 /nfs/dbraw/zinc/36/64/28/568366428.db2.gz CSWDJSOZDJSFCL-IBGZPJMESA-N 1 0 371.569 4.824 20 0 FJADRO CCCc1ccccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000604795183 568368222 /nfs/dbraw/zinc/36/82/22/568368222.db2.gz HHGWZHZCKKNDIE-GOSISDBHSA-N 1 0 365.521 4.986 20 0 FJADRO CCCCN(CCCC)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000604823280 568370321 /nfs/dbraw/zinc/37/03/21/568370321.db2.gz XNVOOIIZKYCALN-LJQANCHMSA-N 1 0 359.558 4.824 20 0 FJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000604799675 568370485 /nfs/dbraw/zinc/37/04/85/568370485.db2.gz ZRIXMFNGBJGCDJ-OAHLLOKOSA-N 1 0 373.447 4.971 20 0 FJADRO CCC1CCC(N(C)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000604826531 568376650 /nfs/dbraw/zinc/37/66/50/568376650.db2.gz OIWCYGVYGSYHGF-FLPIEVNYSA-N 1 0 371.569 4.822 20 0 FJADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)C1(Sc2ccccc2)CCCC1 ZINC000604863068 568379681 /nfs/dbraw/zinc/37/96/81/568379681.db2.gz UKVHYNYKMVECRK-GOSISDBHSA-N 1 0 362.583 4.718 20 0 FJADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000604864645 568379969 /nfs/dbraw/zinc/37/99/69/568379969.db2.gz WXQVDDCUVAUYDX-UHFFFAOYSA-N 1 0 363.505 4.509 20 0 FJADRO C[C@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000604892079 568382013 /nfs/dbraw/zinc/38/20/13/568382013.db2.gz JGHLUCKTIJNQDE-LCLWPZTBSA-N 1 0 370.562 4.705 20 0 FJADRO C[NH+](C)CCOc1ccc(NC(=O)CC(C)(C)c2ccccc2)cc1Cl ZINC000604873696 568382611 /nfs/dbraw/zinc/38/26/11/568382611.db2.gz YCRAZANCZMVSKH-UHFFFAOYSA-N 1 0 374.912 4.587 20 0 FJADRO CCC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)c1ccccc1 ZINC000604874112 568382664 /nfs/dbraw/zinc/38/26/64/568382664.db2.gz PENLCVZZMLHFLU-GOSISDBHSA-N 1 0 374.912 4.803 20 0 FJADRO COc1cc(OC)c(C2CC[NH+](C[C@H](C)c3ccccc3)CC2)c(OC)c1 ZINC000604884786 568384590 /nfs/dbraw/zinc/38/45/90/568384590.db2.gz GHQPTMMBPOWXMU-KRWDZBQOSA-N 1 0 369.505 4.696 20 0 FJADRO Fc1ccc(CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C2CC2)cc1 ZINC000604903109 568385451 /nfs/dbraw/zinc/38/54/51/568385451.db2.gz MMGHCUGONAJQDY-UHFFFAOYSA-N 1 0 354.400 4.827 20 0 FJADRO COc1ccc(-c2cc(C[N@H+](CCc3ccc(F)cc3)C3CC3)on2)cc1 ZINC000604903459 568385529 /nfs/dbraw/zinc/38/55/29/568385529.db2.gz RVDFBIMFXLNHKF-UHFFFAOYSA-N 1 0 366.436 4.696 20 0 FJADRO CC(C)(NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccs1 ZINC000604906082 568386142 /nfs/dbraw/zinc/38/61/42/568386142.db2.gz IOENSOLKPHXJIH-UHFFFAOYSA-N 1 0 371.550 4.833 20 0 FJADRO CC[C@@H](C)N(Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000604914087 568388616 /nfs/dbraw/zinc/38/86/16/568388616.db2.gz PENQMPMDEPJCRJ-WOJBJXKFSA-N 1 0 359.558 4.509 20 0 FJADRO CCCC[C@H](CC)CC(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000604936881 568400837 /nfs/dbraw/zinc/40/08/37/568400837.db2.gz UCBBDGFUBFCCKG-HNAYVOBHSA-N 1 0 361.917 4.886 20 0 FJADRO COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](CC(F)(F)F)C3)on2)cc1 ZINC000643253834 568401302 /nfs/dbraw/zinc/40/13/02/568401302.db2.gz BJYMGJPBXHSJDQ-ZDUSSCGKSA-N 1 0 354.372 4.515 20 0 FJADRO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000261369410 568454707 /nfs/dbraw/zinc/45/47/07/568454707.db2.gz OVUHVKPTQDIGHY-UHFFFAOYSA-N 1 0 363.379 4.506 20 0 FJADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000007240677 568481247 /nfs/dbraw/zinc/48/12/47/568481247.db2.gz APTTZJWRCYYGJV-HNNXBMFYSA-N 1 0 360.885 4.594 20 0 FJADRO CCOc1cc(C[NH2+]C(C)(C)c2cccc(F)c2)ccc1OC(F)F ZINC000236910148 568498005 /nfs/dbraw/zinc/49/80/05/568498005.db2.gz ZQJVUGZSNCHCLM-UHFFFAOYSA-N 1 0 353.384 4.851 20 0 FJADRO CCOC[C@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000604998607 568511986 /nfs/dbraw/zinc/51/19/86/568511986.db2.gz HTCNBRQJZNWOTP-ZVVFDCPKSA-N 1 0 352.316 4.601 20 0 FJADRO Cc1ncc(C[N@H+](C)CC/C=C\c2ccc(Br)cc2)s1 ZINC000604997317 568507782 /nfs/dbraw/zinc/50/77/82/568507782.db2.gz KEFVNRXXYAUPIE-HYXAFXHYSA-N 1 0 351.313 4.749 20 0 FJADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)c1cccc2ccccc21 ZINC000007443103 568511436 /nfs/dbraw/zinc/51/14/36/568511436.db2.gz IJYQCANADIUDFJ-OXQOHEQNSA-N 1 0 364.514 4.916 20 0 FJADRO CCOC[C@@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000604998606 568511992 /nfs/dbraw/zinc/51/19/92/568511992.db2.gz HTCNBRQJZNWOTP-ZNNBYXKUSA-N 1 0 352.316 4.601 20 0 FJADRO CC[C@H]1CCC[N@H+](Cc2csc(-c3ccc(OC)cc3OC)n2)CC1 ZINC000604999083 568512417 /nfs/dbraw/zinc/51/24/17/568512417.db2.gz LMWDTECPXKYVRT-HNNXBMFYSA-N 1 0 360.523 4.839 20 0 FJADRO CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(OC)cc3OC)n2)CC1 ZINC000604999084 568512560 /nfs/dbraw/zinc/51/25/60/568512560.db2.gz LMWDTECPXKYVRT-OAHLLOKOSA-N 1 0 360.523 4.839 20 0 FJADRO CC(C)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000605000338 568513797 /nfs/dbraw/zinc/51/37/97/568513797.db2.gz JLNOAELOKBNHLS-LLVKDONJSA-N 1 0 370.316 4.571 20 0 FJADRO O=C(CCC1CC[NH2+]CC1)Nc1ccccc1NCc1ccc(Cl)cc1 ZINC000563158971 568524116 /nfs/dbraw/zinc/52/41/16/568524116.db2.gz CYEQUTWHHWJNAV-UHFFFAOYSA-N 1 0 371.912 4.670 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1F ZINC000605022199 568525530 /nfs/dbraw/zinc/52/55/30/568525530.db2.gz WNXWALDFQKBVBV-SFHVURJKSA-N 1 0 372.459 4.543 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCCc3cc(Cl)cc(C)c32)o1 ZINC000605095223 568563084 /nfs/dbraw/zinc/56/30/84/568563084.db2.gz KMTYYLHYTHPQNK-UHFFFAOYSA-N 1 0 360.885 4.676 20 0 FJADRO CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605102426 568566179 /nfs/dbraw/zinc/56/61/79/568566179.db2.gz HAXHSOVJFLBYOC-NVXWUHKLSA-N 1 0 370.459 4.641 20 0 FJADRO CC(C)CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605102809 568566340 /nfs/dbraw/zinc/56/63/40/568566340.db2.gz GQJPMMIBNLKDJM-QFBILLFUSA-N 1 0 370.459 4.641 20 0 FJADRO CCCCCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605102765 568566347 /nfs/dbraw/zinc/56/63/47/568566347.db2.gz LBARDHMTTDSFTJ-VQIMIIECSA-N 1 0 370.459 4.785 20 0 FJADRO COc1cc(C[NH2+][C@H]2CSc3ccccc32)ccc1OCC(F)(F)F ZINC000605166157 568594256 /nfs/dbraw/zinc/59/42/56/568594256.db2.gz UGWWBSJMBPLOJK-AWEZNQCLSA-N 1 0 369.408 4.573 20 0 FJADRO c1nc2ccccc2n1-c1ccc(C[NH2+][C@H]2CSc3ccccc32)cc1 ZINC000605165931 568594296 /nfs/dbraw/zinc/59/42/96/568594296.db2.gz HIDCKLIMKSZLDE-FQEVSTJZSA-N 1 0 357.482 4.962 20 0 FJADRO CSc1ccccc1NC(=O)CC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605153823 568597707 /nfs/dbraw/zinc/59/77/07/568597707.db2.gz CJLZJEDQADSCFM-LJQANCHMSA-N 1 0 372.559 4.527 20 0 FJADRO COc1ccc(-c2cc(C[N@@H+]3CCS[C@@H](c4ccccc4)C3)on2)cc1 ZINC000605156064 568601632 /nfs/dbraw/zinc/60/16/32/568601632.db2.gz IWPRGUYATXVQHV-OAQYLSRUSA-N 1 0 366.486 4.640 20 0 FJADRO Clc1cccc(-c2nnc(CN3CCS[C@@H](c4ccccc4)C3)o2)c1 ZINC000605156213 568601772 /nfs/dbraw/zinc/60/17/72/568601772.db2.gz NMQILMBKZAMWNK-QGZVFWFLSA-N 1 0 371.893 4.680 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C)cc1)C(C)C ZINC000606161132 568680073 /nfs/dbraw/zinc/68/00/73/568680073.db2.gz GWVPNFIQPPXGSF-SFHVURJKSA-N 1 0 350.506 4.898 20 0 FJADRO CCc1ccc([C@@H](C)CC(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000606177981 568693165 /nfs/dbraw/zinc/69/31/65/568693165.db2.gz ZNPRBOXASSHSJA-IBGZPJMESA-N 1 0 364.533 4.870 20 0 FJADRO CC[C@H](CC(=O)Nc1cc(C[NH+](C)C)ccc1OC)c1ccc(C)cc1 ZINC000606173087 568705353 /nfs/dbraw/zinc/70/53/53/568705353.db2.gz NRLPKIKDCNDONL-GOSISDBHSA-N 1 0 354.494 4.588 20 0 FJADRO O=C(CC/C=C/c1ccccc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000606186421 568708005 /nfs/dbraw/zinc/70/80/05/568708005.db2.gz WCMPUHKYSYCEMQ-RUDMXATFSA-N 1 0 366.530 4.668 20 0 FJADRO FC(F)(c1cccc2c(Cl)nccc21)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164386688 718803247 /nfs/dbraw/zinc/80/32/47/718803247.db2.gz DKRJMFJBSMECBB-UHFFFAOYSA-N 1 0 365.855 4.546 20 0 FJADRO Cc1[nH]c2ccc(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)cc2c1C ZINC000046756596 205139020 /nfs/dbraw/zinc/13/90/20/205139020.db2.gz FTJOUYDPLZMABH-UHFFFAOYSA-N 1 0 363.505 4.555 20 0 FJADRO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000105650710 206008814 /nfs/dbraw/zinc/00/88/14/206008814.db2.gz NYDHLLMAHAWNOS-JOCHJYFZSA-N 1 0 362.473 4.596 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000106110853 206013728 /nfs/dbraw/zinc/01/37/28/206013728.db2.gz HSBXDXMBBQOXFG-UHFFFAOYSA-N 1 0 360.885 4.751 20 0 FJADRO COc1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1C ZINC000107684662 206021339 /nfs/dbraw/zinc/02/13/39/206021339.db2.gz WBLJTFQTAKSIHS-QGZVFWFLSA-N 1 0 352.478 4.630 20 0 FJADRO Cc1c2cc(Cl)ccc2oc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000107602753 206021520 /nfs/dbraw/zinc/02/15/20/206021520.db2.gz UTGGFVBUBSQOPJ-CQSZACIVSA-N 1 0 362.901 4.637 20 0 FJADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cn(C)c4ccccc34)cc2)CC1 ZINC000107684199 206021779 /nfs/dbraw/zinc/02/17/79/206021779.db2.gz CHWDWWISVDSDKJ-UHFFFAOYSA-N 1 0 361.489 4.663 20 0 FJADRO CCOc1ccc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cc1 ZINC000108315943 206029654 /nfs/dbraw/zinc/02/96/54/206029654.db2.gz NCBAOWTYNUIFQG-UHFFFAOYSA-N 1 0 361.445 4.537 20 0 FJADRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(Br)s1 ZINC000038002027 211344473 /nfs/dbraw/zinc/34/44/73/211344473.db2.gz ZJWSCXXVFJVFGU-SECBINFHSA-N 1 0 362.239 4.963 20 0 FJADRO c1ccc(CC[N@H+](Cc2ccncc2)Cc2ccc3ncccc3c2)cc1 ZINC000013990057 211067938 /nfs/dbraw/zinc/06/79/38/211067938.db2.gz QYSSSLWFPZHMEO-UHFFFAOYSA-N 1 0 353.469 4.875 20 0 FJADRO CC1CC[NH+](CCCCNC(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000071935577 221387697 /nfs/dbraw/zinc/38/76/97/221387697.db2.gz VJFNLKDSCGTYQQ-FQEVSTJZSA-N 1 0 359.558 4.585 20 0 FJADRO CCc1noc(C)c1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000105446298 222369864 /nfs/dbraw/zinc/36/98/64/222369864.db2.gz SEWBPLKPHJNKAO-UHFFFAOYSA-N 1 0 355.482 4.562 20 0 FJADRO Cc1ccc(NC(=O)C2CC[NH+]([C@@H](C)c3ccc4ccccc4c3)CC2)nc1 ZINC000108447027 222417518 /nfs/dbraw/zinc/41/75/18/222417518.db2.gz QPGCKDUABBLXTK-SFHVURJKSA-N 1 0 373.500 4.955 20 0 FJADRO c1cc(-c2nc(C[NH2+]CCNc3ccc4ccccc4n3)cs2)cs1 ZINC000079061166 526414846 /nfs/dbraw/zinc/41/48/46/526414846.db2.gz GRPZEXPCQFNKMF-UHFFFAOYSA-N 1 0 366.515 4.622 20 0 FJADRO CC[NH+](CC)Cc1cccc(CNC(=O)NC(C)(C)c2cccc(C)c2)c1 ZINC000605949886 567818825 /nfs/dbraw/zinc/81/88/25/567818825.db2.gz GMDBQLKTZMZTRH-UHFFFAOYSA-N 1 0 367.537 4.571 20 0 FJADRO Brc1ccc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)nc1 ZINC000601756635 567836631 /nfs/dbraw/zinc/83/66/31/567836631.db2.gz UNAWBLRWAOPOTA-OAHLLOKOSA-N 1 0 370.294 4.705 20 0 FJADRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc3c(c2)CCCC3)CC1 ZINC000644832546 567838445 /nfs/dbraw/zinc/83/84/45/567838445.db2.gz MAFGNSYUODIRFM-XMMPIXPASA-N 1 0 368.565 4.569 20 0 FJADRO CC[N@H+](C[C@H](O)COc1ccccc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000255959767 567866825 /nfs/dbraw/zinc/86/68/25/567866825.db2.gz KSCDOBBUIBATKN-QAPCUYQASA-N 1 0 367.411 4.528 20 0 FJADRO C[NH+]1CCC(N(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c2ccccc2)CC1 ZINC000601959408 567886559 /nfs/dbraw/zinc/88/65/59/567886559.db2.gz ZXZYSKDRBVRPJR-SFTDATJTSA-N 1 0 368.908 4.571 20 0 FJADRO C[NH+]1CCC(N(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)CC1 ZINC000601959370 567886580 /nfs/dbraw/zinc/88/65/80/567886580.db2.gz YLWMLXSKNOTHRF-UHFFFAOYSA-N 1 0 363.288 4.734 20 0 FJADRO CC(C)[C@H](CC(=O)N(c1ccccc1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000601960680 567887208 /nfs/dbraw/zinc/88/72/08/567887208.db2.gz VWRRJQCHDDSXPY-QHCPKHFHSA-N 1 0 364.533 4.944 20 0 FJADRO C[NH+]1CCC(N(C(=O)Cc2csc3ccccc23)c2ccccc2)CC1 ZINC000601963918 567888562 /nfs/dbraw/zinc/88/85/62/567888562.db2.gz XXKJUXINPIUTQD-UHFFFAOYSA-N 1 0 364.514 4.571 20 0 FJADRO C[C@@H](NCc1cc(F)cc2c1OCOC2)c1cc(Cl)ccc1Cl ZINC000186184218 567890673 /nfs/dbraw/zinc/89/06/73/567890673.db2.gz NHQNZUQIZHCVQS-SNVBAGLBSA-N 1 0 356.224 4.850 20 0 FJADRO CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000601973284 567891454 /nfs/dbraw/zinc/89/14/54/567891454.db2.gz XINPVKQAMGMIEC-NRFANRHFSA-N 1 0 350.506 4.532 20 0 FJADRO COc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2)cc1Br ZINC000221875755 567931663 /nfs/dbraw/zinc/93/16/63/567931663.db2.gz ZRUKYTCCYHSZJX-JTQLQIEISA-N 1 0 356.210 4.587 20 0 FJADRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2Cl)cc1 ZINC000021314989 567965957 /nfs/dbraw/zinc/96/59/57/567965957.db2.gz RKFLCCJGLCDNKN-FQEVSTJZSA-N 1 0 372.896 4.904 20 0 FJADRO C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1F ZINC000602578754 567993441 /nfs/dbraw/zinc/99/34/41/567993441.db2.gz JEHCOFDYMBCLED-KRWDZBQOSA-N 1 0 353.485 4.531 20 0 FJADRO C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(F)c(F)c1 ZINC000602579114 567993512 /nfs/dbraw/zinc/99/35/12/567993512.db2.gz PVOXJCWUAPZFQD-MRXNPFEDSA-N 1 0 371.475 4.670 20 0 FJADRO C[C@H]([NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(F)c(F)c1 ZINC000602584081 567994112 /nfs/dbraw/zinc/99/41/12/567994112.db2.gz DFYPEUBUAUIAIY-KBXCAEBGSA-N 1 0 365.427 4.630 20 0 FJADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000602570260 567995981 /nfs/dbraw/zinc/99/59/81/567995981.db2.gz SOPKELKTYMTZRJ-KBPBESRZSA-N 1 0 361.436 4.907 20 0 FJADRO CSc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3nccs3)CC1)CCC2 ZINC000521436087 568010681 /nfs/dbraw/zinc/01/06/81/568010681.db2.gz MNJPMIVTLCTTQP-GOSISDBHSA-N 1 0 359.564 4.501 20 0 FJADRO Cc1ccccc1[C@H]([NH2+]Cc1cccc(C(N)=O)c1)C1CCC(C)CC1 ZINC000602911979 568011473 /nfs/dbraw/zinc/01/14/73/568011473.db2.gz SJYCIXZERJRCRU-ORWMALAUSA-N 1 0 350.506 4.751 20 0 FJADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC000218954459 568019472 /nfs/dbraw/zinc/01/94/72/568019472.db2.gz KQTZZGGFKOCSJK-ZJUUUORDSA-N 1 0 356.251 4.764 20 0 FJADRO CCC[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000461108923 568022245 /nfs/dbraw/zinc/02/22/45/568022245.db2.gz MHJRVYRZEOZARA-ZWKOTPCHSA-N 1 0 360.325 4.602 20 0 FJADRO C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000602753114 568030528 /nfs/dbraw/zinc/03/05/28/568030528.db2.gz HOKADSPATHWKBC-WIYYLYMNSA-N 1 0 358.526 4.596 20 0 FJADRO CC(C)(CCNC(=O)c1cccc(Oc2ccncc2)c1)c1ccccc1 ZINC000602754217 568031023 /nfs/dbraw/zinc/03/10/23/568031023.db2.gz RKANXRYRHBBVJJ-UHFFFAOYSA-N 1 0 360.457 4.972 20 0 FJADRO CC1(C)CN(Cc2cnn(Cc3ccccc3Cl)c2)[C@@H]1c1cccnc1 ZINC000644835533 568034032 /nfs/dbraw/zinc/03/40/32/568034032.db2.gz URPILTIAPILPES-HXUWFJFHSA-N 1 0 366.896 4.563 20 0 FJADRO C[C@H](c1cccc(NCc2cc(Cl)ccc2Cl)c1)N1CCOCC1 ZINC000462228684 568043465 /nfs/dbraw/zinc/04/34/65/568043465.db2.gz DCYRNKIWMJOQKY-CQSZACIVSA-N 1 0 365.304 4.999 20 0 FJADRO CN1CCC[C@H](C[NH2+]Cc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522756758 568049649 /nfs/dbraw/zinc/04/96/49/568049649.db2.gz FLJVRHNCOHZDCP-UYAOXDASSA-N 1 0 362.439 4.878 20 0 FJADRO CCc1ccc([C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C(C)C)cc1 ZINC000028399226 568076023 /nfs/dbraw/zinc/07/60/23/568076023.db2.gz JOZDIPYOQXHBMT-JOCHJYFZSA-N 1 0 367.537 4.507 20 0 FJADRO Cc1cccc(Nc2ccccc2C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1C ZINC000603319932 568085589 /nfs/dbraw/zinc/08/55/89/568085589.db2.gz MCZVHIWCVYEYDQ-SFHVURJKSA-N 1 0 365.521 4.507 20 0 FJADRO Cc1csc(-c2cccc(C(=O)Nc3ccc(-c4ncc[nH]4)cc3)c2)n1 ZINC000120373913 568087681 /nfs/dbraw/zinc/08/76/81/568087681.db2.gz UUJVBQCGQRGEQU-UHFFFAOYSA-N 1 0 360.442 4.761 20 0 FJADRO Cc1nc2ccccc2nc1C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051582105 568090970 /nfs/dbraw/zinc/09/09/70/568090970.db2.gz SJIDUEHSMRFFDN-WMZHIEFXSA-N 1 0 361.489 4.538 20 0 FJADRO Cc1nc2ccccc2nc1C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051582106 568090976 /nfs/dbraw/zinc/09/09/76/568090976.db2.gz SJIDUEHSMRFFDN-AUSIDOKSSA-N 1 0 361.489 4.538 20 0 FJADRO c1ccc(CCOCCC[NH2+][C@@H](c2cccnc2)C2CCCCC2)cc1 ZINC000603410490 568097872 /nfs/dbraw/zinc/09/78/72/568097872.db2.gz DHWORNJPSXNHNK-HSZRJFAPSA-N 1 0 352.522 4.942 20 0 FJADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1SCc1ccco1 ZINC000603473154 568103492 /nfs/dbraw/zinc/10/34/92/568103492.db2.gz DEQPWPVHJOPHCU-QGZVFWFLSA-N 1 0 372.534 4.566 20 0 FJADRO Cc1cc(NC(=O)C[NH2+]C(C)(C)c2ccc(C(C)C)cc2)n(C(C)(C)C)n1 ZINC000603496489 568106357 /nfs/dbraw/zinc/10/63/57/568106357.db2.gz XLULTTYTKTUTRN-UHFFFAOYSA-N 1 0 370.541 4.533 20 0 FJADRO Cc1ccc(OCc2nc(C[NH2+]CCCOC3CCCCC3)cs2)cc1 ZINC000603509735 568110327 /nfs/dbraw/zinc/11/03/27/568110327.db2.gz MTVQEFXZOQQSOB-UHFFFAOYSA-N 1 0 374.550 4.860 20 0 FJADRO Cc1ccc(OCc2nc(C[NH2+][C@H](C)CCc3ccco3)cs2)cc1 ZINC000603509962 568110411 /nfs/dbraw/zinc/11/04/11/568110411.db2.gz PPOFYWGOFBYAOY-MRXNPFEDSA-N 1 0 356.491 4.734 20 0 FJADRO COc1cc(C[NH2+][C@H]2C[C@@H](C)c3ccccc32)c(Br)cc1O ZINC000603513474 568111150 /nfs/dbraw/zinc/11/11/50/568111150.db2.gz QRJPENXEDHZGRS-BZNIZROVSA-N 1 0 362.267 4.501 20 0 FJADRO COc1cc(C[NH2+]CC2CCSCC2)ccc1OCc1cccs1 ZINC000603515175 568111417 /nfs/dbraw/zinc/11/14/17/568111417.db2.gz XPOJTHTUYMONMU-UHFFFAOYSA-N 1 0 363.548 4.569 20 0 FJADRO CCOc1cc(C[NH2+]C[C@@H]2OCCc3ccccc32)ccc1OCC(C)C ZINC000603516254 568111611 /nfs/dbraw/zinc/11/16/11/568111611.db2.gz RYMAKRKEVUWPFY-QHCPKHFHSA-N 1 0 369.505 4.524 20 0 FJADRO Cc1cc(C[NH2+]Cc2cnn(C(C)C)c2)ccc1Oc1ccc(F)cc1 ZINC000603516548 568111723 /nfs/dbraw/zinc/11/17/23/568111723.db2.gz DYKLNLNRUFHHJF-UHFFFAOYSA-N 1 0 353.441 4.994 20 0 FJADRO CCC[N@H+](CCc1cccc(F)c1)Cc1nc(-c2ccccc2C)no1 ZINC000603499765 568112556 /nfs/dbraw/zinc/11/25/56/568112556.db2.gz TUTPUWQMZZLJFM-UHFFFAOYSA-N 1 0 353.441 4.639 20 0 FJADRO CCOc1ccc([C@H](C)NCc2c(F)cccc2Br)cc1 ZINC000394715283 568127985 /nfs/dbraw/zinc/12/79/85/568127985.db2.gz UCCDCIASMBXLIS-LBPRGKRZSA-N 1 0 352.247 4.838 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000603668833 568132866 /nfs/dbraw/zinc/13/28/66/568132866.db2.gz YWQDXVPIAQKCED-INIZCTEOSA-N 1 0 374.550 4.680 20 0 FJADRO CC(C)(C)c1cccc(OCC[NH2+]Cc2cnc(-c3ccccc3)nc2)c1 ZINC000603723043 568141928 /nfs/dbraw/zinc/14/19/28/568141928.db2.gz RBBGAJSYICVWLO-UHFFFAOYSA-N 1 0 361.489 4.610 20 0 FJADRO C[N@@H+]1CCC[C@H](CNC(=O)C2CC3(C2)CCCCC3)[C@@H]1c1cccs1 ZINC000669149958 568147427 /nfs/dbraw/zinc/14/74/27/568147427.db2.gz MSKYXNGCPZRZBP-VQIMIIECSA-N 1 0 360.567 4.608 20 0 FJADRO C[NH+](C)C[C@@H]1CCN(C(=O)C2(c3ccc(C(C)(C)C)cc3)CCCCC2)C1 ZINC000603906537 568178098 /nfs/dbraw/zinc/17/80/98/568178098.db2.gz DRXMPZFCKJVTOO-IBGZPJMESA-N 1 0 370.581 4.596 20 0 FJADRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000603944330 568185830 /nfs/dbraw/zinc/18/58/30/568185830.db2.gz LBDQRAUVFHSDPM-HSZRJFAPSA-N 1 0 374.484 4.719 20 0 FJADRO CCSCc1ccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000603954894 568189292 /nfs/dbraw/zinc/18/92/92/568189292.db2.gz JYWULICBYSVZMM-NRFANRHFSA-N 1 0 368.546 4.507 20 0 FJADRO CSCc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000604027917 568198053 /nfs/dbraw/zinc/19/80/53/568198053.db2.gz ABFISGSSTZLDSY-UHFFFAOYSA-N 1 0 368.546 4.830 20 0 FJADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000122163530 568200333 /nfs/dbraw/zinc/20/03/33/568200333.db2.gz MYMGYMNNCVCLRS-QWHCGFSZSA-N 1 0 371.424 4.521 20 0 FJADRO CC[C@H](c1ccccc1)[N@@H+](Cc1nc(-c2ccccn2)no1)CC(C)C ZINC000604048361 568201126 /nfs/dbraw/zinc/20/11/26/568201126.db2.gz MIKKIDYAFHXFKS-LJQANCHMSA-N 1 0 350.466 4.741 20 0 FJADRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000604124456 568213994 /nfs/dbraw/zinc/21/39/94/568213994.db2.gz FWHKZLFATBQPSF-AVRDEDQJSA-N 1 0 366.505 4.592 20 0 FJADRO CC(C)C[C@@H]([NH3+])c1noc(Cn2c3ccccc3nc2C2CCCCC2)n1 ZINC000563121315 568222444 /nfs/dbraw/zinc/22/24/44/568222444.db2.gz MMXCYLUHQKHHAK-MRXNPFEDSA-N 1 0 367.497 4.561 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000604198928 568225049 /nfs/dbraw/zinc/22/50/49/568225049.db2.gz LRIZYRVVYQHTFZ-BTYIYWSLSA-N 1 0 374.550 4.536 20 0 FJADRO CCOc1ccc(CNC(=O)c2ccc(C)c(Oc3ccncc3)c2)cc1 ZINC000604216036 568227273 /nfs/dbraw/zinc/22/72/73/568227273.db2.gz QMUVRPZAVFAURX-UHFFFAOYSA-N 1 0 362.429 4.511 20 0 FJADRO C[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c2ccccc21 ZINC000604205073 568228332 /nfs/dbraw/zinc/22/83/32/568228332.db2.gz JJJNAATVYZUEIV-WIYYLYMNSA-N 1 0 363.505 4.547 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)cc1)C(C)C ZINC000604259413 568239337 /nfs/dbraw/zinc/23/93/37/568239337.db2.gz TWALLFGCBBQOER-WMZHIEFXSA-N 1 0 364.533 4.935 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000604300338 568245386 /nfs/dbraw/zinc/24/53/86/568245386.db2.gz BRPMYVQEGYKIMI-OAHLLOKOSA-N 1 0 374.550 4.536 20 0 FJADRO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000303137030 568252950 /nfs/dbraw/zinc/25/29/50/568252950.db2.gz CZGKRHMBUBASOV-AEFFLSMTSA-N 1 0 356.897 4.937 20 0 FJADRO COCC1(CC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000563125493 568254521 /nfs/dbraw/zinc/25/45/21/568254521.db2.gz OYINAJCHUHIBCL-MRXNPFEDSA-N 1 0 360.498 4.733 20 0 FJADRO CCSc1ccc(Cl)cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000303167471 568254674 /nfs/dbraw/zinc/25/46/74/568254674.db2.gz AUWLTMBDQQKMBL-UHFFFAOYSA-N 1 0 369.962 4.694 20 0 FJADRO COc1ccc([C@H](C[NH2+]C/C(C)=C/c2ccccc2)N2CCCC2)cc1 ZINC000303182777 568256181 /nfs/dbraw/zinc/25/61/81/568256181.db2.gz TXXSHZSRUMNMDM-BBIZSYTBSA-N 1 0 350.506 4.525 20 0 FJADRO COc1cccc(N2CC[C@H](C[NH2+]Cc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000303156515 568256899 /nfs/dbraw/zinc/25/68/99/568256899.db2.gz OQQIWGMSAQLOHG-OAHLLOKOSA-N 1 0 365.304 4.618 20 0 FJADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000604346940 568264701 /nfs/dbraw/zinc/26/47/01/568264701.db2.gz DYWMCUNKNSFBAS-LLVKDONJSA-N 1 0 371.333 4.622 20 0 FJADRO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000026474485 568267041 /nfs/dbraw/zinc/26/70/41/568267041.db2.gz WQTZXGMUEIKVMN-YWMUFLPLSA-N 1 0 374.525 4.603 20 0 FJADRO C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC000303427196 568272239 /nfs/dbraw/zinc/27/22/39/568272239.db2.gz DXGBRORXCKQJAC-FNXHNPQUSA-N 1 0 368.565 4.905 20 0 FJADRO C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC000303427198 568272283 /nfs/dbraw/zinc/27/22/83/568272283.db2.gz DXGBRORXCKQJAC-JJXTWPQTSA-N 1 0 368.565 4.905 20 0 FJADRO Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)o1 ZINC000604416607 568274777 /nfs/dbraw/zinc/27/47/77/568274777.db2.gz OAXGBEGWNCWIPR-HXUWFJFHSA-N 1 0 355.384 4.628 20 0 FJADRO COc1cccc(C[C@H](C)[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)c1 ZINC000604416565 568274802 /nfs/dbraw/zinc/27/48/02/568274802.db2.gz ICFMFYCWVSDPJZ-INIZCTEOSA-N 1 0 352.503 4.848 20 0 FJADRO FC(F)(F)c1ccc(N2CC[C@H]([NH2+]Cc3ccc(Cl)s3)C2)cc1 ZINC000604417433 568275669 /nfs/dbraw/zinc/27/56/69/568275669.db2.gz BLZHIKXEIRWUGU-LBPRGKRZSA-N 1 0 360.832 4.789 20 0 FJADRO FC(F)(F)c1ccc(N2CC[C@@H]([NH2+]Cc3cccc4[nH]ccc43)C2)cc1 ZINC000604417808 568275803 /nfs/dbraw/zinc/27/58/03/568275803.db2.gz YBAQMYSIABVGED-MRXNPFEDSA-N 1 0 359.395 4.555 20 0 FJADRO CN(C)[C@H](C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1ccsc1 ZINC000604414902 568279734 /nfs/dbraw/zinc/27/97/34/568279734.db2.gz PCAWWVGFRDNLDL-QGZVFWFLSA-N 1 0 362.445 4.679 20 0 FJADRO Cc1c(Cl)cccc1NC(=O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000303735394 568279871 /nfs/dbraw/zinc/27/98/71/568279871.db2.gz WKEQPTGPNIDZBF-UHFFFAOYSA-N 1 0 360.860 4.638 20 0 FJADRO C[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000303460195 568280087 /nfs/dbraw/zinc/28/00/87/568280087.db2.gz LHCDIOCTNHMZOK-SJORKVTESA-N 1 0 373.928 4.563 20 0 FJADRO CCOc1ccccc1CC[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000604416196 568281305 /nfs/dbraw/zinc/28/13/05/568281305.db2.gz NUNUIPWGFCAOIP-UHFFFAOYSA-N 1 0 352.503 4.850 20 0 FJADRO COc1ccc(CC[N@@H+](Cc2nc3ccccc3o2)CC(C)C)cc1OC ZINC000604393908 568283689 /nfs/dbraw/zinc/28/36/89/568283689.db2.gz QQNKKRVWCWLUSO-UHFFFAOYSA-N 1 0 368.477 4.546 20 0 FJADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000604394537 568284616 /nfs/dbraw/zinc/28/46/16/568284616.db2.gz RXSSANHGNKYTGH-WBVHZDCISA-N 1 0 353.491 4.609 20 0 FJADRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1 ZINC000303508287 568285042 /nfs/dbraw/zinc/28/50/42/568285042.db2.gz NLHSPMUNMUWWGB-UWJYYQICSA-N 1 0 374.550 4.519 20 0 FJADRO O=C(C[NH+](CC1CC1)CC1CC1)Nc1ccccc1Oc1ccccc1 ZINC000604395486 568295015 /nfs/dbraw/zinc/29/50/15/568295015.db2.gz DZCXUQZCBSPYSG-UHFFFAOYSA-N 1 0 350.462 4.539 20 0 FJADRO CSCC[NH2+]Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000604477447 568299743 /nfs/dbraw/zinc/29/97/43/568299743.db2.gz ACAVWMCZGQDKIQ-UHFFFAOYSA-N 1 0 371.481 4.565 20 0 FJADRO CSCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000604478513 568300008 /nfs/dbraw/zinc/30/00/08/568300008.db2.gz QADHFCWHJHZBBN-UHFFFAOYSA-N 1 0 371.937 4.704 20 0 FJADRO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000604492988 568303713 /nfs/dbraw/zinc/30/37/13/568303713.db2.gz UVKKFDPQUWDFMA-CYBMUJFWSA-N 1 0 351.368 4.685 20 0 FJADRO CC(C)OC(=O)Cc1nc(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)cs1 ZINC000604508733 568305816 /nfs/dbraw/zinc/30/58/16/568305816.db2.gz FLIISBRHHGOIIV-GOSISDBHSA-N 1 0 364.555 4.572 20 0 FJADRO CC[C@H](c1ccccc1)N(CC)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000604593082 568321428 /nfs/dbraw/zinc/32/14/28/568321428.db2.gz LJQSQRGPLNMVAO-OAQYLSRUSA-N 1 0 371.500 4.570 20 0 FJADRO CC[C@H](C)c1ccc([C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000604634361 568333162 /nfs/dbraw/zinc/33/31/62/568333162.db2.gz SCWNASVOBXXCHV-JQVVWYNYSA-N 1 0 373.585 4.880 20 0 FJADRO C[C@H]1CCC[C@H](CCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000604667013 568344332 /nfs/dbraw/zinc/34/43/32/568344332.db2.gz JIRKCUHFNIZKOB-VQTJNVASSA-N 1 0 371.569 4.509 20 0 FJADRO C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000604698546 568351628 /nfs/dbraw/zinc/35/16/28/568351628.db2.gz WFPPFZWSXMUYMN-GOSISDBHSA-N 1 0 368.496 4.622 20 0 FJADRO CCc1ccc([C@H](C)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000604713751 568355194 /nfs/dbraw/zinc/35/51/94/568355194.db2.gz GTYWABDSNDFQPA-OALUTQOASA-N 1 0 364.533 4.694 20 0 FJADRO CC(C)=C[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1(C)C ZINC000604714363 568355313 /nfs/dbraw/zinc/35/53/13/568355313.db2.gz KTJQUZKDTDSYOD-WMQCIHAUSA-N 1 0 354.538 4.567 20 0 FJADRO C[C@H](CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1cccc(F)c1 ZINC000604744931 568356053 /nfs/dbraw/zinc/35/60/53/568356053.db2.gz TUNGBVDRKTUNDC-IAGOWNOFSA-N 1 0 356.485 4.565 20 0 FJADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](CC2CCCC2)C(C)C)CC1 ZINC000604746796 568356364 /nfs/dbraw/zinc/35/63/64/568356364.db2.gz IWRKAJYKINJZOJ-OAQYLSRUSA-N 1 0 350.591 4.809 20 0 FJADRO C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1c(Cl)cccc1Cl ZINC000604727639 568357002 /nfs/dbraw/zinc/35/70/02/568357002.db2.gz HLDOCGHPVYDCPW-DOMZBBRYSA-N 1 0 359.341 4.580 20 0 FJADRO CC(C)[C@H](CC1CCCC1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000604742356 568359775 /nfs/dbraw/zinc/35/97/75/568359775.db2.gz OQORAAKXPULDAB-QFIPXVFZSA-N 1 0 374.544 4.759 20 0 FJADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@H](C)c1ccccc1C ZINC000604743888 568360041 /nfs/dbraw/zinc/36/00/41/568360041.db2.gz PVUXCTDOFSPGOC-IBGZPJMESA-N 1 0 352.522 4.599 20 0 FJADRO O=C(NC1CC1)c1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000604764637 568361700 /nfs/dbraw/zinc/36/17/00/568361700.db2.gz AVSFTGSCMPQPMD-UHFFFAOYSA-N 1 0 368.908 4.791 20 0 FJADRO OC[C@@H]([NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000604769995 568362858 /nfs/dbraw/zinc/36/28/58/568362858.db2.gz GUSLBSGWXPWULZ-HSZRJFAPSA-N 1 0 374.459 4.652 20 0 FJADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(Br)cn1 ZINC000604773089 568363649 /nfs/dbraw/zinc/36/36/49/568363649.db2.gz KNBJTSFHSVDRLO-OAHLLOKOSA-N 1 0 353.691 4.608 20 0 FJADRO C[C@@H](C[NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1c(Cl)cccc1Cl ZINC000604773799 568363871 /nfs/dbraw/zinc/36/38/71/568363871.db2.gz YVLRBEIGWPWGJK-UGSOOPFHSA-N 1 0 365.304 4.516 20 0 FJADRO Cc1sc2ncnc(NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)c2c1C ZINC000604757456 568365286 /nfs/dbraw/zinc/36/52/86/568365286.db2.gz FNMZFROEJRQDQC-HNNXBMFYSA-N 1 0 366.534 4.946 20 0 FJADRO COc1cc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c(C2CC2)cc1Cl ZINC000655529963 568366190 /nfs/dbraw/zinc/36/61/90/568366190.db2.gz FKSJWHIYQNNADG-CWTRNNRKSA-N 1 0 358.869 4.501 20 0 FJADRO Cc1ccccc1[C@@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000604784903 568366359 /nfs/dbraw/zinc/36/63/59/568366359.db2.gz JPFNCEFFKHTRIT-MOPGFXCFSA-N 1 0 365.521 4.581 20 0 FJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000604792417 568367729 /nfs/dbraw/zinc/36/77/29/568367729.db2.gz DMTNITAMSVLOFJ-KRWDZBQOSA-N 1 0 363.505 4.522 20 0 FJADRO Cc1nc(-c2ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc2)cs1 ZINC000604794803 568368122 /nfs/dbraw/zinc/36/81/22/568368122.db2.gz YKJJCVINGTWTHT-GOSISDBHSA-N 1 0 374.554 4.606 20 0 FJADRO CCCC(C)(C)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000604809286 568372314 /nfs/dbraw/zinc/37/23/14/568372314.db2.gz ANNZHZLRVAPMSV-UHFFFAOYSA-N 1 0 367.537 4.793 20 0 FJADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)C(=O)Nc1ccccc1 ZINC000604891888 568382033 /nfs/dbraw/zinc/38/20/33/568382033.db2.gz FIQMDCKBISEGHW-LPHOPBHVSA-N 1 0 350.487 4.649 20 0 FJADRO CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2cnc(C)s2)cc1 ZINC000604892225 568382038 /nfs/dbraw/zinc/38/20/38/568382038.db2.gz KWWXRLQMBWLEOR-UXHICEINSA-N 1 0 360.523 4.720 20 0 FJADRO Fc1ccc2c(N[C@H]3CCN(c4ccccc4OC(F)F)C3)cc[nH+]c2c1 ZINC000604883677 568384293 /nfs/dbraw/zinc/38/42/93/568384293.db2.gz ICSUWDSGQGXQQL-AWEZNQCLSA-N 1 0 373.378 4.666 20 0 FJADRO CC(C)n1ccc(C[N@H+](C)CCCCCc2cc(-c3ccccc3)no2)n1 ZINC000604884630 568384507 /nfs/dbraw/zinc/38/45/07/568384507.db2.gz XAHHWNHUXQYPTN-UHFFFAOYSA-N 1 0 366.509 4.964 20 0 FJADRO CC[C@H](C)N(Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000604914255 568388657 /nfs/dbraw/zinc/38/86/57/568388657.db2.gz ZJBDXOACQXWNAV-PMACEKPBSA-N 1 0 359.558 4.651 20 0 FJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC(C)(C)c2cccs2)CC1 ZINC000604920712 568390354 /nfs/dbraw/zinc/39/03/54/568390354.db2.gz GVEJLSOTXGCTOC-INIZCTEOSA-N 1 0 371.550 4.508 20 0 FJADRO O[C@@H](C[NH2+][C@H](CC(F)F)c1ccccc1)COc1ccc2ccccc2c1 ZINC000643255727 568406726 /nfs/dbraw/zinc/40/67/26/568406726.db2.gz REJXYTZQWXTUDQ-PZJWPPBQSA-N 1 0 371.427 4.566 20 0 FJADRO O[C@H](C[NH2+][C@@H](CC(F)F)c1ccccc1)COc1ccc2ccccc2c1 ZINC000643255725 568406750 /nfs/dbraw/zinc/40/67/50/568406750.db2.gz REJXYTZQWXTUDQ-CTNGQTDRSA-N 1 0 371.427 4.566 20 0 FJADRO CCCC[C@@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000604943814 568406789 /nfs/dbraw/zinc/40/67/89/568406789.db2.gz JXMVTOGBOQFIOI-VEEZFSHISA-N 1 0 356.554 4.905 20 0 FJADRO CC1(C)CC(NC(=O)c2sc3cc(F)ccc3c2Cl)CC(C)(C)[NH2+]1 ZINC000010815483 568434116 /nfs/dbraw/zinc/43/41/16/568434116.db2.gz YODKEYVPDCWBOA-UHFFFAOYSA-N 1 0 368.905 4.733 20 0 FJADRO Cc1ccccc1N1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000007240468 568481296 /nfs/dbraw/zinc/48/12/96/568481296.db2.gz QMVQFYZACUJZQJ-UHFFFAOYSA-N 1 0 355.532 4.502 20 0 FJADRO O=C(CC[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1ccc(Cl)cc1F ZINC000051852948 568486743 /nfs/dbraw/zinc/48/67/43/568486743.db2.gz LRPYRVGWLOHLDF-MRXNPFEDSA-N 1 0 352.862 4.706 20 0 FJADRO C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000433074737 568503048 /nfs/dbraw/zinc/50/30/48/568503048.db2.gz FBZYAAXOAHCUPI-WLYUNCDWSA-N 1 0 354.416 4.505 20 0 FJADRO Brc1ccc(/C=C/CC[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000604997461 568508048 /nfs/dbraw/zinc/50/80/48/568508048.db2.gz YYEVMSNFSWMRGI-XMUUHYKESA-N 1 0 372.310 4.522 20 0 FJADRO CC[NH+](CC)[C@H](C(=O)Nc1ccc2c(cnn2C(C)C)c1)c1ccccc1 ZINC000604991934 568509930 /nfs/dbraw/zinc/50/99/30/568509930.db2.gz SVMYEZARWFBZKG-NRFANRHFSA-N 1 0 364.493 4.639 20 0 FJADRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 ZINC000007437463 568515284 /nfs/dbraw/zinc/51/52/84/568515284.db2.gz MPLKNJDYVVJRFW-UHFFFAOYSA-N 1 0 368.864 4.592 20 0 FJADRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2)ccc1SC ZINC000605009221 568516244 /nfs/dbraw/zinc/51/62/44/568516244.db2.gz WRXAJILSWIDGOP-GOSISDBHSA-N 1 0 374.525 4.623 20 0 FJADRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000605008986 568516277 /nfs/dbraw/zinc/51/62/77/568516277.db2.gz HOSANDJEVSNNEO-MRXNPFEDSA-N 1 0 361.530 4.647 20 0 FJADRO CC[N@@H+](Cc1cnn(C2CCCC2)c1-c1ccccc1)C[C@@H]1CCOC1 ZINC000643284569 568525648 /nfs/dbraw/zinc/52/56/48/568525648.db2.gz SPNVMNRRIDKCKE-SFHVURJKSA-N 1 0 353.510 4.524 20 0 FJADRO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCCC[C@@H]2C(C)C)o1 ZINC000605026527 568531473 /nfs/dbraw/zinc/53/14/73/568531473.db2.gz ZQPSIBBEMXLARA-QGZVFWFLSA-N 1 0 366.465 4.711 20 0 FJADRO CCc1ccc([C@@H]2CCCN2C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)o1 ZINC000605097080 568563385 /nfs/dbraw/zinc/56/33/85/568563385.db2.gz GQLVDXZFOSUWSO-NRFANRHFSA-N 1 0 366.505 4.804 20 0 FJADRO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1cccc(Cl)c1Cl ZINC000605114743 568572178 /nfs/dbraw/zinc/57/21/78/568572178.db2.gz YAZCYQJNUOXJKJ-LBPRGKRZSA-N 1 0 351.277 4.546 20 0 FJADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)CC1 ZINC000605123456 568578765 /nfs/dbraw/zinc/57/87/65/568578765.db2.gz GEMINLBZUCCDTC-UHFFFAOYSA-N 1 0 372.553 4.591 20 0 FJADRO Cc1cc(C)c(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000605151145 568580347 /nfs/dbraw/zinc/58/03/47/568580347.db2.gz FTNHFGCPCYPZIH-LJQANCHMSA-N 1 0 351.412 4.628 20 0 FJADRO c1ccc(SCCN2CCC[N@H+](CCSc3ccccc3)CC2)cc1 ZINC000605149714 568587256 /nfs/dbraw/zinc/58/72/56/568587256.db2.gz YURKLNWMYBSUHV-UHFFFAOYSA-N 1 0 372.603 4.579 20 0 FJADRO Cc1cccc([C@@H]2CCCCC[N@H+]2Cc2cccc(C(=O)N(C)C)c2)c1 ZINC000605157004 568588462 /nfs/dbraw/zinc/58/84/62/568588462.db2.gz DHOWLHBLKLMNIF-QFIPXVFZSA-N 1 0 350.506 4.814 20 0 FJADRO C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1Cl ZINC000605167920 568595845 /nfs/dbraw/zinc/59/58/45/568595845.db2.gz JKWYHDHCMLWSQS-LBPRGKRZSA-N 1 0 366.292 4.938 20 0 FJADRO Fc1ccc(-c2cc(C[N@@H+]3CCS[C@H](c4ccccc4)C3)on2)cc1 ZINC000605154224 568598338 /nfs/dbraw/zinc/59/83/38/568598338.db2.gz LXFKZLKTAPZJAM-FQEVSTJZSA-N 1 0 354.450 4.771 20 0 FJADRO Cc1cc(C)c(NC(=O)CN2CCS[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000605155543 568600629 /nfs/dbraw/zinc/60/06/29/568600629.db2.gz UMXKGGMNVPSYPQ-SFHVURJKSA-N 1 0 374.937 4.685 20 0 FJADRO Cc1cccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)COCc2cccs2)c1 ZINC000605187802 568615392 /nfs/dbraw/zinc/61/53/92/568615392.db2.gz QKPIQGQXHZSFSB-CTNGQTDRSA-N 1 0 359.535 4.551 20 0 FJADRO CCOc1ccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1OCC ZINC000605187676 568615410 /nfs/dbraw/zinc/61/54/10/568615410.db2.gz JPBGSYQVETVBBO-OAQYLSRUSA-N 1 0 357.519 4.774 20 0 FJADRO C[C@@H](CC(=O)NCC1([NH+](C)C)CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000606159250 568678566 /nfs/dbraw/zinc/67/85/66/568678566.db2.gz TYWJGKNIGDZNIB-HNNXBMFYSA-N 1 0 370.459 4.580 20 0 FJADRO CC[C@@H](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000606161082 568680139 /nfs/dbraw/zinc/68/01/39/568680139.db2.gz CNRJTYOAJRDPEY-FPOVZHCZSA-N 1 0 368.521 4.815 20 0 FJADRO CC(=O)N(c1nc(CN2CC3(CCC3)C[C@H]2C)cs1)c1ccc(F)cc1 ZINC000365443652 568685835 /nfs/dbraw/zinc/68/58/35/568685835.db2.gz OTFSEDGULGTQLE-CQSZACIVSA-N 1 0 373.497 4.731 20 0 FJADRO CCCN(C(=O)[C@@H](C)c1ccsc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000606187806 568709101 /nfs/dbraw/zinc/70/91/01/568709101.db2.gz HPUMSUYHBGUFGQ-GHTZIAJQSA-N 1 0 370.562 4.755 20 0 FJADRO CCCN(C(=O)[C@@H](C)c1ccsc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000606187810 568709149 /nfs/dbraw/zinc/70/91/49/568709149.db2.gz HPUMSUYHBGUFGQ-RXVVDRJESA-N 1 0 370.562 4.755 20 0 FJADRO C[C@H](CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000606201263 568720118 /nfs/dbraw/zinc/72/01/18/568720118.db2.gz VLCVBYGIVVZGKD-PBHICJAKSA-N 1 0 372.475 4.682 20 0 FJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164794868 721507845 /nfs/dbraw/zinc/50/78/45/721507845.db2.gz FBBTXZZLLRNZGN-DYESRHJHSA-N 1 0 371.912 4.546 20 0 FJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCC[C@@H]2c2cccnc2)nc1 ZINC001165048185 721963860 /nfs/dbraw/zinc/96/38/60/721963860.db2.gz XKZVTSNCDATATC-NHCUHLMSSA-N 1 0 350.510 4.755 20 0 FJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC[C@H]2c2cccnc2)nc1 ZINC001165048189 721964031 /nfs/dbraw/zinc/96/40/31/721964031.db2.gz XKZVTSNCDATATC-SFTDATJTSA-N 1 0 350.510 4.755 20 0 FJADRO Clc1ccccc1-c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nn1 ZINC001165046654 721973210 /nfs/dbraw/zinc/97/32/10/721973210.db2.gz CHFSCOGWKYODIO-QGZVFWFLSA-N 1 0 370.928 4.642 20 0 FJADRO Cc1ccc(C)c(-c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)c1 ZINC001165047943 721976600 /nfs/dbraw/zinc/97/66/00/721976600.db2.gz HNXBMGZKVFOCGA-HXUWFJFHSA-N 1 0 364.537 4.605 20 0 FJADRO COc1ccccc1CC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000110463972 209323401 /nfs/dbraw/zinc/32/34/01/209323401.db2.gz VEFBZOJMFXNZEP-UHFFFAOYSA-N 1 0 364.272 4.610 20 0 FJADRO COc1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccc1C ZINC000107684660 209278491 /nfs/dbraw/zinc/27/84/91/209278491.db2.gz WBLJTFQTAKSIHS-KRWDZBQOSA-N 1 0 352.478 4.630 20 0 FJADRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(F)c1 ZINC000107503250 209275420 /nfs/dbraw/zinc/27/54/20/209275420.db2.gz IWYODGZTXYELLF-INIZCTEOSA-N 1 0 370.255 4.557 20 0 FJADRO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000105650713 209267456 /nfs/dbraw/zinc/26/74/56/209267456.db2.gz NYDHLLMAHAWNOS-QFIPXVFZSA-N 1 0 362.473 4.596 20 0 FJADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000014778510 220133241 /nfs/dbraw/zinc/13/32/41/220133241.db2.gz XWSNBAQVJKJMJF-GOSISDBHSA-N 1 0 352.812 4.544 20 0 FJADRO O=C(N[C@@H]1CCSc2ccccc21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000018134445 207626261 /nfs/dbraw/zinc/62/62/61/207626261.db2.gz GVEDBNAIUSXEQV-HXUWFJFHSA-N 1 0 366.530 4.639 20 0 FJADRO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038835424 208206205 /nfs/dbraw/zinc/20/62/05/208206205.db2.gz MYGRLQKLIOKROG-OAHLLOKOSA-N 1 0 363.288 4.844 20 0 FJADRO CC(C)[N@H+](C)Cc1ccccc1CNc1ncnc2c3ccccc3oc21 ZINC000071954783 208789940 /nfs/dbraw/zinc/78/99/40/208789940.db2.gz PMXDXPVCDSGXKO-UHFFFAOYSA-N 1 0 360.461 4.828 20 0 FJADRO C[C@@H]([NH2+]CCCn1cnc2ccccc21)c1ccc(Br)s1 ZINC000038001957 220845161 /nfs/dbraw/zinc/84/51/61/220845161.db2.gz BONBIQHIKZWKBD-GFCCVEGCSA-N 1 0 364.312 4.601 20 0 FJADRO CCN(CC)C(=O)C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000058524473 221120685 /nfs/dbraw/zinc/12/06/85/221120685.db2.gz QWWAPMPZTWGMPU-UHFFFAOYSA-N 1 0 364.942 4.635 20 0 FJADRO O=C(Nc1ccccc1N1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000060550071 136132329 /nfs/dbraw/zinc/13/23/29/136132329.db2.gz UVDJBQHKAZZIJY-UHFFFAOYSA-N 1 0 363.505 4.525 20 0 FJADRO Fc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCN(c4ccc(F)cc4)C3)o2)cc1 ZINC000084419517 526313128 /nfs/dbraw/zinc/31/31/28/526313128.db2.gz NLEREQXTQDLIOX-INIZCTEOSA-N 1 0 368.427 4.841 20 0 FJADRO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000020407008 526750706 /nfs/dbraw/zinc/75/07/06/526750706.db2.gz DRSAETNQBGDDMG-UHFFFAOYSA-N 1 0 368.502 4.893 20 0 FJADRO Cn1c(CC[NH2+]Cc2cnc(C3CCCCC3)s2)nc2cc(F)ccc21 ZINC000531452309 567829831 /nfs/dbraw/zinc/82/98/31/567829831.db2.gz IQISDEIEEJHXDI-UHFFFAOYSA-N 1 0 372.513 4.549 20 0 FJADRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cnc(-c2ccccc2OC)nc1 ZINC000644832579 567840207 /nfs/dbraw/zinc/84/02/07/567840207.db2.gz ZWUNEFBEPOUVBY-NRFANRHFSA-N 1 0 359.473 4.662 20 0 FJADRO COc1cccc(C[N@@H+](Cc2ccc(Br)cn2)CC(C)C)c1 ZINC000601835855 567855587 /nfs/dbraw/zinc/85/55/87/567855587.db2.gz FCQXCNXFWJIFMA-UHFFFAOYSA-N 1 0 363.299 4.511 20 0 FJADRO COc1ccccc1-c1ncc(C[NH+]2CCC(C3CCCC3)CC2)cn1 ZINC000644833180 567861525 /nfs/dbraw/zinc/86/15/25/567861525.db2.gz QQOPXFWYUXRVRW-UHFFFAOYSA-N 1 0 351.494 4.554 20 0 FJADRO CC[N@H+](C[C@@H](O)COc1ccccc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000255959766 567866878 /nfs/dbraw/zinc/86/68/78/567866878.db2.gz KSCDOBBUIBATKN-CRAIPNDOSA-N 1 0 367.411 4.528 20 0 FJADRO Cc1cc(NC(=O)CC[N@@H+]([C@@H](C)c2ccc3ccccc3c2)C2CC2)no1 ZINC000063577545 567876296 /nfs/dbraw/zinc/87/62/96/567876296.db2.gz LWAGOUSHTBSRGN-INIZCTEOSA-N 1 0 363.461 4.690 20 0 FJADRO C[NH+]1CCC(N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)CC1 ZINC000601956176 567885526 /nfs/dbraw/zinc/88/55/26/567885526.db2.gz JLMHANYUVUKZCT-UHFFFAOYSA-N 1 0 350.506 4.725 20 0 FJADRO CCc1cccc(C)c1NC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000043156244 567886931 /nfs/dbraw/zinc/88/69/31/567886931.db2.gz AAABZZJLIBZLEB-GOSISDBHSA-N 1 0 359.539 4.824 20 0 FJADRO Cc1ccc(SCC(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c(C)c1 ZINC000601963855 567888537 /nfs/dbraw/zinc/88/85/37/567888537.db2.gz WWACZUQRTPXENA-UHFFFAOYSA-N 1 0 368.546 4.523 20 0 FJADRO C[NH+]1CCC(N(C(=O)Cc2ccc3ccccc3c2)c2ccccc2)CC1 ZINC000601968830 567889982 /nfs/dbraw/zinc/88/99/82/567889982.db2.gz RVNRVBGDJVBYCV-UHFFFAOYSA-N 1 0 358.485 4.510 20 0 FJADRO C[NH+]1CCC(N(C(=O)CSc2ccccc2Cl)c2ccccc2)CC1 ZINC000601969646 567890235 /nfs/dbraw/zinc/89/02/35/567890235.db2.gz YXBCTYOOSBOLOV-UHFFFAOYSA-N 1 0 374.937 4.560 20 0 FJADRO C[C@@H](NCc1nc(-c2ccsc2)no1)c1cc(Cl)ccc1Cl ZINC000186183607 567890589 /nfs/dbraw/zinc/89/05/89/567890589.db2.gz XGCIIQSWGCBVQQ-SECBINFHSA-N 1 0 354.262 4.956 20 0 FJADRO CC[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000602076557 567917330 /nfs/dbraw/zinc/91/73/30/567917330.db2.gz GJWAJOVIKBXZOX-QHCPKHFHSA-N 1 0 364.533 4.558 20 0 FJADRO CC[NH+](CC)Cc1ccc(N[C@@H](C)CC(=O)Nc2cccc(C)c2)cc1 ZINC000527303396 567921434 /nfs/dbraw/zinc/92/14/34/567921434.db2.gz IVVYFZKTTSVNAF-SFHVURJKSA-N 1 0 353.510 4.666 20 0 FJADRO Cc1ccc([C@H](CNC(=O)N2CCCCC[C@H]2c2ccco2)[NH+](C)C)cc1 ZINC000605962013 567942908 /nfs/dbraw/zinc/94/29/08/567942908.db2.gz DNDNMQKHXNIHGF-PMACEKPBSA-N 1 0 369.509 4.518 20 0 FJADRO Cc1ccc([C@H](CNC(=O)N2CCCCC[C@@H]2c2ccco2)[NH+](C)C)cc1 ZINC000605962014 567942926 /nfs/dbraw/zinc/94/29/26/567942926.db2.gz DNDNMQKHXNIHGF-UXHICEINSA-N 1 0 369.509 4.518 20 0 FJADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OCC2CC2)c(C)c1OC ZINC000521415649 567962724 /nfs/dbraw/zinc/96/27/24/567962724.db2.gz VWAVUHQBMDNDTP-QGZVFWFLSA-N 1 0 369.505 4.960 20 0 FJADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2)cc1C ZINC000602377481 567971038 /nfs/dbraw/zinc/97/10/38/567971038.db2.gz DJRLCAVIYJTFEU-QGZVFWFLSA-N 1 0 355.482 4.639 20 0 FJADRO CCCC[NH+]1CCC(NC(=O)c2c(C)c(C)oc2-c2ccccc2)CC1 ZINC000186799899 567984566 /nfs/dbraw/zinc/98/45/66/567984566.db2.gz IPTXCHHSGSSFRF-UHFFFAOYSA-N 1 0 354.494 4.558 20 0 FJADRO COCCCOc1cccc(C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000063902048 567991886 /nfs/dbraw/zinc/99/18/86/567991886.db2.gz IXDQPEHYNGVSSP-UHFFFAOYSA-N 1 0 361.485 4.981 20 0 FJADRO C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(F)c(F)c1 ZINC000602579107 567993514 /nfs/dbraw/zinc/99/35/14/567993514.db2.gz PVOXJCWUAPZFQD-INIZCTEOSA-N 1 0 371.475 4.670 20 0 FJADRO C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(F)cc1 ZINC000602578797 567993516 /nfs/dbraw/zinc/99/35/16/567993516.db2.gz KERPPOGWPBWWFJ-KRWDZBQOSA-N 1 0 353.485 4.531 20 0 FJADRO C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(F)c(F)c1 ZINC000602584084 567994078 /nfs/dbraw/zinc/99/40/78/567994078.db2.gz DFYPEUBUAUIAIY-RDTXWAMCSA-N 1 0 365.427 4.630 20 0 FJADRO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000602584126 567994174 /nfs/dbraw/zinc/99/41/74/567994174.db2.gz PAXMFJWMNWUKRZ-AVRDEDQJSA-N 1 0 357.501 4.612 20 0 FJADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](c3ccc(C)cc3)C3CCC3)cn2)n1 ZINC000187022122 568001892 /nfs/dbraw/zinc/00/18/92/568001892.db2.gz NNQNARYVTBXNCQ-HSZRJFAPSA-N 1 0 360.505 4.824 20 0 FJADRO COc1ccccc1OCCC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000602910169 568011013 /nfs/dbraw/zinc/01/10/13/568011013.db2.gz MRDMGNJWQCSSJX-UHFFFAOYSA-N 1 0 371.811 4.509 20 0 FJADRO C[C@@H](C1CC1)[N@H+](Cc1coc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000521428132 568024829 /nfs/dbraw/zinc/02/48/29/568024829.db2.gz VYSNCFMYQNGVOS-LBPRGKRZSA-N 1 0 361.283 4.867 20 0 FJADRO CCOC(=O)C1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000602752731 568030297 /nfs/dbraw/zinc/03/02/97/568030297.db2.gz RCWLSYWDTPINOK-UHFFFAOYSA-N 1 0 351.490 4.530 20 0 FJADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cc2ccsc2[nH]1 ZINC000602806492 568048716 /nfs/dbraw/zinc/04/87/16/568048716.db2.gz AFJOPKKOGISZSI-UHFFFAOYSA-N 1 0 367.518 4.535 20 0 FJADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3nccc4ccccc43)cc2)C1 ZINC000522758515 568053651 /nfs/dbraw/zinc/05/36/51/568053651.db2.gz ROKFQIVGUHCOLY-QGZVFWFLSA-N 1 0 359.473 4.719 20 0 FJADRO C[NH+](C)CCc1ccccc1NC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C ZINC000446576565 568054924 /nfs/dbraw/zinc/05/49/24/568054924.db2.gz PQLWFFMUDKAESJ-HXUWFJFHSA-N 1 0 371.500 4.839 20 0 FJADRO C[C@@H](CCc1ccc(Cl)s1)NC1(c2noc(C(F)F)n2)CCC1 ZINC000644836405 568065392 /nfs/dbraw/zinc/06/53/92/568065392.db2.gz BSWFVMQBUPHBBO-VIFPVBQESA-N 1 0 361.845 4.712 20 0 FJADRO CCOc1c(OC)cc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)cc1OC ZINC000067011147 568073059 /nfs/dbraw/zinc/07/30/59/568073059.db2.gz LBTSQULHMAVVMK-UHFFFAOYSA-N 1 0 363.885 4.781 20 0 FJADRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000067504159 568076246 /nfs/dbraw/zinc/07/62/46/568076246.db2.gz AVCVJIDTBCPFPF-QGZVFWFLSA-N 1 0 370.905 4.924 20 0 FJADRO Cc1ccc(-c2ccc(C[NH2+][C@H]3CCCc4[nH]c(=O)ccc43)s2)cc1 ZINC000067504102 568076259 /nfs/dbraw/zinc/07/62/59/568076259.db2.gz NOELPUGZEZZTQR-SFHVURJKSA-N 1 0 350.487 4.579 20 0 FJADRO COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(Br)c2)cc1OC ZINC000067690387 568080710 /nfs/dbraw/zinc/08/07/10/568080710.db2.gz MUQWFDNUOQFBDV-CYBMUJFWSA-N 1 0 364.283 4.626 20 0 FJADRO COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(Br)c2)cc1OC ZINC000067690388 568080719 /nfs/dbraw/zinc/08/07/19/568080719.db2.gz MUQWFDNUOQFBDV-ZDUSSCGKSA-N 1 0 364.283 4.626 20 0 FJADRO COc1cc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)ccc1OC(F)F ZINC000067690203 568080727 /nfs/dbraw/zinc/08/07/27/568080727.db2.gz MVZSPYYEYDDIOS-NSHDSACASA-N 1 0 373.346 4.749 20 0 FJADRO C[C@@H](NC(=O)c1cc2sc3ccccc3c2s1)C1CC[NH+](C)CC1 ZINC000603321449 568087808 /nfs/dbraw/zinc/08/78/08/568087808.db2.gz JYHMUPJGHDIINZ-GFCCVEGCSA-N 1 0 358.532 4.576 20 0 FJADRO CCc1cc(N[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)ncn1 ZINC000603380323 568093987 /nfs/dbraw/zinc/09/39/87/568093987.db2.gz BIUPDFCZVFYDLT-HXUWFJFHSA-N 1 0 351.425 4.583 20 0 FJADRO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603410036 568097744 /nfs/dbraw/zinc/09/77/44/568097744.db2.gz XRJLLCJYOZBCNH-YJBOKZPZSA-N 1 0 373.460 4.554 20 0 FJADRO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603410033 568097760 /nfs/dbraw/zinc/09/77/60/568097760.db2.gz XRJLLCJYOZBCNH-CRAIPNDOSA-N 1 0 373.460 4.554 20 0 FJADRO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603410035 568097791 /nfs/dbraw/zinc/09/77/91/568097791.db2.gz XRJLLCJYOZBCNH-QAPCUYQASA-N 1 0 373.460 4.554 20 0 FJADRO COc1cc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cc(Cl)c1OC ZINC000069878376 568097973 /nfs/dbraw/zinc/09/79/73/568097973.db2.gz PRWVWYHYPTTYLK-UHFFFAOYSA-N 1 0 352.261 4.790 20 0 FJADRO COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(OC)c(Cl)c3)c2c1 ZINC000603509155 568110120 /nfs/dbraw/zinc/11/01/20/568110120.db2.gz CKKDVSXJRWCOKU-CYBMUJFWSA-N 1 0 358.869 4.732 20 0 FJADRO c1sc(COc2ccccc2)nc1C[NH2+]CCCCc1ccccc1 ZINC000603509730 568110260 /nfs/dbraw/zinc/11/02/60/568110260.db2.gz MGROHXLFBDWCOV-UHFFFAOYSA-N 1 0 352.503 4.835 20 0 FJADRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 ZINC000603509832 568110329 /nfs/dbraw/zinc/11/03/29/568110329.db2.gz RJMPZGPEXGFRFN-QZTJIDSGSA-N 1 0 362.395 4.552 20 0 FJADRO COc1ccc(OCc2nc(C[NH2+][C@@H](C)Cc3ccsc3)cs2)cc1 ZINC000603511869 568110745 /nfs/dbraw/zinc/11/07/45/568110745.db2.gz CKOFAVPDJZNABU-AWEZNQCLSA-N 1 0 374.531 4.513 20 0 FJADRO COc1ccccc1OCCC[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000603513241 568111044 /nfs/dbraw/zinc/11/10/44/568111044.db2.gz RESKCBRSZHRBEO-UHFFFAOYSA-N 1 0 368.502 4.686 20 0 FJADRO COc1ccc2[nH]cc(CC[NH2+]Cc3nc(-c4ccccc4)cs3)c2c1 ZINC000603516709 568111708 /nfs/dbraw/zinc/11/17/08/568111708.db2.gz YKPKOJZQRNUKKJ-UHFFFAOYSA-N 1 0 363.486 4.632 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000603589980 568123520 /nfs/dbraw/zinc/12/35/20/568123520.db2.gz YUWNHKBHRIOOSY-UHFFFAOYSA-N 1 0 354.475 4.610 20 0 FJADRO CC[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000603601518 568124712 /nfs/dbraw/zinc/12/47/12/568124712.db2.gz WKJXIEVUBKJAJH-JOCHJYFZSA-N 1 0 371.569 4.651 20 0 FJADRO C[C@H]([NH2+]C1(CNC(=O)N(C)Cc2ccsc2)CCCC1)c1ccccc1 ZINC000603611229 568126066 /nfs/dbraw/zinc/12/60/66/568126066.db2.gz YLQKKYPLCLQNBX-KRWDZBQOSA-N 1 0 371.550 4.553 20 0 FJADRO Cc1ccc(-c2nnc([C@H](C)N3C[C@@H](C)O[C@@H](c4ccccc4)C3)o2)cc1 ZINC000522775895 568132022 /nfs/dbraw/zinc/13/20/22/568132022.db2.gz KTALPRGYSCYNDC-FUHIMQAGSA-N 1 0 363.461 4.568 20 0 FJADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000603686151 568135512 /nfs/dbraw/zinc/13/55/12/568135512.db2.gz NLYMSDGSSBYEKA-HOTGVXAUSA-N 1 0 373.928 4.548 20 0 FJADRO Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000603686113 568135524 /nfs/dbraw/zinc/13/55/24/568135524.db2.gz DGTIHBMUZQKZSN-WBVHZDCISA-N 1 0 372.484 4.607 20 0 FJADRO Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000603686110 568135538 /nfs/dbraw/zinc/13/55/38/568135538.db2.gz DGTIHBMUZQKZSN-DOTOQJQBSA-N 1 0 372.484 4.607 20 0 FJADRO Cc1cccc(C2(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)CCC2)c1 ZINC000603686317 568135563 /nfs/dbraw/zinc/13/55/63/568135563.db2.gz XMSDCBZGPJMKNP-NHCUHLMSSA-N 1 0 368.565 4.530 20 0 FJADRO Cc1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c(C[NH+](C)C)c1 ZINC000603694878 568136728 /nfs/dbraw/zinc/13/67/28/568136728.db2.gz UARKIKCJWVAJSI-UHFFFAOYSA-N 1 0 369.465 4.572 20 0 FJADRO COCCOc1ccc(C[NH2+]C2(c3ccccc3)CCCCC2)cc1OC ZINC000603723029 568141966 /nfs/dbraw/zinc/14/19/66/568141966.db2.gz LIRKCIXJOCITLU-UHFFFAOYSA-N 1 0 369.505 4.670 20 0 FJADRO C[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000603724012 568142467 /nfs/dbraw/zinc/14/24/67/568142467.db2.gz UBEHDFKRXKWUPY-GNJLHFKMSA-N 1 0 357.457 4.698 20 0 FJADRO C[C@H]([NH2+]C/C=C\c1ccccc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000603724013 568142513 /nfs/dbraw/zinc/14/25/13/568142513.db2.gz UBEHDFKRXKWUPY-MTIYJEKLSA-N 1 0 357.457 4.698 20 0 FJADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCC(C)(C)c1ccccc1 ZINC000603830741 568146059 /nfs/dbraw/zinc/14/60/59/568146059.db2.gz RLCAVGSKDAIMRJ-UHFFFAOYSA-N 1 0 364.489 4.592 20 0 FJADRO CCc1cccc2c(C(=O)[C@@H]([NH2+]CCSC)c3ccccc3)c[nH]c21 ZINC000603743743 568148205 /nfs/dbraw/zinc/14/82/05/568148205.db2.gz LHBABSSILHFQQV-FQEVSTJZSA-N 1 0 352.503 4.607 20 0 FJADRO Cn1cc(C[NH2+]CC(C)(C)c2cccs2)c(-c2cc3ccccc3o2)n1 ZINC000603949598 568186958 /nfs/dbraw/zinc/18/69/58/568186958.db2.gz JEZDYMZJUTWIKT-UHFFFAOYSA-N 1 0 365.502 4.962 20 0 FJADRO C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1Cl ZINC000604065283 568205347 /nfs/dbraw/zinc/20/53/47/568205347.db2.gz CSQRYJSHDHDZKK-LBPRGKRZSA-N 1 0 362.260 4.937 20 0 FJADRO COc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)c(OC(F)F)c1 ZINC000604066334 568205540 /nfs/dbraw/zinc/20/55/40/568205540.db2.gz VCWPTQKTYVZCKO-UHFFFAOYSA-N 1 0 365.420 4.764 20 0 FJADRO COc1cc(CC[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)ccc1O ZINC000604069627 568206119 /nfs/dbraw/zinc/20/61/19/568206119.db2.gz PDCDKHCFOXVWJG-UHFFFAOYSA-N 1 0 357.450 4.601 20 0 FJADRO Clc1cccc(-c2noc(CC[NH2+]Cc3cccc4ccccc43)n2)c1 ZINC000604069684 568206166 /nfs/dbraw/zinc/20/61/66/568206166.db2.gz AZLYIBHULFQBOP-UHFFFAOYSA-N 1 0 363.848 4.876 20 0 FJADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC(C)(C)Oc1ccccc1 ZINC000604072624 568210488 /nfs/dbraw/zinc/21/04/88/568210488.db2.gz VINDVOJZINYAAV-UHFFFAOYSA-N 1 0 367.468 4.575 20 0 FJADRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000604124458 568213966 /nfs/dbraw/zinc/21/39/66/568213966.db2.gz FWHKZLFATBQPSF-GCJKJVERSA-N 1 0 366.505 4.592 20 0 FJADRO C[C@@H](c1cccs1)N(C)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604202170 568227580 /nfs/dbraw/zinc/22/75/80/568227580.db2.gz QUBQCLZECBYLDL-PKOBYXMFSA-N 1 0 371.550 4.678 20 0 FJADRO C[C@H](c1cccs1)N(C)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604202168 568227585 /nfs/dbraw/zinc/22/75/85/568227585.db2.gz QUBQCLZECBYLDL-IEBWSBKVSA-N 1 0 371.550 4.678 20 0 FJADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2)C1 ZINC000604221413 568230779 /nfs/dbraw/zinc/23/07/79/568230779.db2.gz SMTWVKAMVMPXBT-QGZVFWFLSA-N 1 0 366.480 4.728 20 0 FJADRO Brc1cccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000302741733 568234208 /nfs/dbraw/zinc/23/42/08/568234208.db2.gz RDWVYWNILIRSFJ-MRXNPFEDSA-N 1 0 366.324 4.692 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cc1)C1CC1 ZINC000604258006 568239081 /nfs/dbraw/zinc/23/90/81/568239081.db2.gz QDSDXVSCVNPCCQ-GCJKJVERSA-N 1 0 362.517 4.689 20 0 FJADRO C[C@@H](CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cccnc1 ZINC000604313968 568249023 /nfs/dbraw/zinc/24/90/23/568249023.db2.gz JLPNTPPCDLZBHS-ZWKOTPCHSA-N 1 0 351.494 4.588 20 0 FJADRO CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1Br)c1cccnc1 ZINC000563124118 568250536 /nfs/dbraw/zinc/25/05/36/568250536.db2.gz HUZUGBUODKHOPA-INIZCTEOSA-N 1 0 353.691 4.984 20 0 FJADRO CCN(CC)[C@H](C[NH2+]Cc1cnc(-c2ccccc2)s1)c1ccco1 ZINC000236901437 568252908 /nfs/dbraw/zinc/25/29/08/568252908.db2.gz VZRMHNZNUFZTQX-GOSISDBHSA-N 1 0 355.507 4.576 20 0 FJADRO COCC1(CC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000563125488 568254523 /nfs/dbraw/zinc/25/45/23/568254523.db2.gz OYINAJCHUHIBCL-INIZCTEOSA-N 1 0 360.498 4.733 20 0 FJADRO CO[C@@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccccc1 ZINC000303208781 568257608 /nfs/dbraw/zinc/25/76/08/568257608.db2.gz ZSCYPUNYOQPVER-SFHVURJKSA-N 1 0 364.272 4.747 20 0 FJADRO Cc1csc(=O)n1CC[N@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC000303221527 568258862 /nfs/dbraw/zinc/25/88/62/568258862.db2.gz UYULCLVIJMJHJX-UHFFFAOYSA-N 1 0 366.530 4.816 20 0 FJADRO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)s1 ZINC000303286761 568264385 /nfs/dbraw/zinc/26/43/85/568264385.db2.gz KAJQCPYFPCPICV-GFCCVEGCSA-N 1 0 358.429 4.894 20 0 FJADRO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028165718 568266665 /nfs/dbraw/zinc/26/66/65/568266665.db2.gz GFXPIVFEWJROME-UHFFFAOYSA-N 1 0 372.896 4.732 20 0 FJADRO CCOc1cccc(C[NH2+]CCCc2c[nH]c3ccccc23)c1OC(F)F ZINC000518796591 568273221 /nfs/dbraw/zinc/27/32/21/568273221.db2.gz NQDDEIKKPUHPHA-UHFFFAOYSA-N 1 0 374.431 4.890 20 0 FJADRO Cc1c(F)cccc1-c1ccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)o1 ZINC000604416589 568274688 /nfs/dbraw/zinc/27/46/88/568274688.db2.gz LKIWLXYCGZDVBP-UHFFFAOYSA-N 1 0 366.436 4.901 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)o1 ZINC000604416615 568274705 /nfs/dbraw/zinc/27/47/05/568274705.db2.gz PLRYNDIAYNMNGR-UHFFFAOYSA-N 1 0 366.436 4.901 20 0 FJADRO COc1cccc(C[C@@H](C)[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)c1 ZINC000604416566 568274786 /nfs/dbraw/zinc/27/47/86/568274786.db2.gz ICFMFYCWVSDPJZ-MRXNPFEDSA-N 1 0 352.503 4.848 20 0 FJADRO Cc1ccc(-c2ncc(C[NH2+]C[C@H](C)N(C)Cc3ccccc3)s2)cc1 ZINC000604416563 568274804 /nfs/dbraw/zinc/27/48/04/568274804.db2.gz HUCHDGKUXANATL-SFHVURJKSA-N 1 0 365.546 4.729 20 0 FJADRO Brc1cccc(C2(C[NH2+]CC3=Cc4ccccc4OC3)CC2)c1 ZINC000604416865 568275189 /nfs/dbraw/zinc/27/51/89/568275189.db2.gz KYUYCBCKODRQBR-UHFFFAOYSA-N 1 0 370.290 4.546 20 0 FJADRO Cc1ccc(C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)c2ccccn2)cc1 ZINC000604414097 568278656 /nfs/dbraw/zinc/27/86/56/568278656.db2.gz WXWDXOBPBZVRBC-WMZHIEFXSA-N 1 0 373.500 4.599 20 0 FJADRO O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000303447767 568279119 /nfs/dbraw/zinc/27/91/19/568279119.db2.gz IVFUUOPWQWYEFN-GOSISDBHSA-N 1 0 352.865 4.801 20 0 FJADRO Cc1nc2ccccc2n1CC[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000604414688 568279582 /nfs/dbraw/zinc/27/95/82/568279582.db2.gz MOYPPWFDEOZMKO-UHFFFAOYSA-N 1 0 363.436 4.842 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(CNCc2cccnc2OC(C)C)o1 ZINC000604415080 568279997 /nfs/dbraw/zinc/27/99/97/568279997.db2.gz MWRIHDQMCZBUST-UHFFFAOYSA-N 1 0 354.425 4.866 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)o1 ZINC000604415439 568280829 /nfs/dbraw/zinc/28/08/29/568280829.db2.gz KATWINHKWNQZLV-UHFFFAOYSA-N 1 0 363.436 4.993 20 0 FJADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000604393001 568283090 /nfs/dbraw/zinc/28/30/90/568283090.db2.gz QGDBBLCYUDPIPA-YCPHGPKFSA-N 1 0 360.860 4.684 20 0 FJADRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000604393227 568283239 /nfs/dbraw/zinc/28/32/39/568283239.db2.gz WNOUCJWHCDUSJO-YOEHRIQHSA-N 1 0 353.853 4.768 20 0 FJADRO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c(C)c1 ZINC000604394467 568284381 /nfs/dbraw/zinc/28/43/81/568284381.db2.gz NTXQEOCGCKDQLJ-DYXWJJEUSA-N 1 0 350.506 4.817 20 0 FJADRO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c(C)c1 ZINC000604394469 568284412 /nfs/dbraw/zinc/28/44/12/568284412.db2.gz NTXQEOCGCKDQLJ-IRFCIJBXSA-N 1 0 350.506 4.817 20 0 FJADRO FC(F)(F)c1ccc(-n2ccnc2SCc2cn3ccccc3n2)cc1 ZINC000303542888 568291410 /nfs/dbraw/zinc/29/14/10/568291410.db2.gz YUNRNJIATMTIGQ-UHFFFAOYSA-N 1 0 374.391 4.831 20 0 FJADRO CC(C)(C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1cccs1 ZINC000303610300 568294723 /nfs/dbraw/zinc/29/47/23/568294723.db2.gz LIHPPKAEPPFJNK-UHFFFAOYSA-N 1 0 370.562 4.718 20 0 FJADRO CC(C)[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1Cl ZINC000604575927 568315685 /nfs/dbraw/zinc/31/56/85/568315685.db2.gz YRJGLBIOXQEDLX-FQEVSTJZSA-N 1 0 373.928 4.598 20 0 FJADRO CC[C@@H](c1ccccc1)N(CC)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000604593081 568321453 /nfs/dbraw/zinc/32/14/53/568321453.db2.gz LJQSQRGPLNMVAO-NRFANRHFSA-N 1 0 371.500 4.570 20 0 FJADRO c1ccc(COc2cccc(C[NH2+]C[C@H]3OCCc4ccccc43)c2)cc1 ZINC000313571020 568324941 /nfs/dbraw/zinc/32/49/41/568324941.db2.gz VWNJVQCDNKCJEA-XMMPIXPASA-N 1 0 359.469 4.669 20 0 FJADRO O=C(CSCc1ccc(F)cc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031621500 568334923 /nfs/dbraw/zinc/33/49/23/568334923.db2.gz KYHKXTHTKGGXBM-UHFFFAOYSA-N 1 0 372.509 4.684 20 0 FJADRO CC[C@@H](CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000604713765 568355176 /nfs/dbraw/zinc/35/51/76/568355176.db2.gz HUYZMIHTGCTXDY-UXHICEINSA-N 1 0 364.533 4.912 20 0 FJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2csc3ccccc23)CC1 ZINC000604714301 568355347 /nfs/dbraw/zinc/35/53/47/568355347.db2.gz VDKBGUUUIBXUAV-MRXNPFEDSA-N 1 0 364.514 4.857 20 0 FJADRO C[C@@H](CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cccc(F)c1 ZINC000604744933 568356044 /nfs/dbraw/zinc/35/60/44/568356044.db2.gz TUNGBVDRKTUNDC-IRXDYDNUSA-N 1 0 356.485 4.565 20 0 FJADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1csc2ccccc12)C(F)(F)F ZINC000604764907 568361689 /nfs/dbraw/zinc/36/16/89/568361689.db2.gz CAEPKYLDABHXEE-FUHWJXTLSA-N 1 0 365.420 4.525 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)o1 ZINC000604767876 568362415 /nfs/dbraw/zinc/36/24/15/568362415.db2.gz DUGQSBQTTVFMHO-IERDGZPVSA-N 1 0 353.437 4.648 20 0 FJADRO CCC(C)(CC)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000604768282 568362536 /nfs/dbraw/zinc/36/25/36/568362536.db2.gz ZKAZLJVAJYAVMC-UHFFFAOYSA-N 1 0 366.246 4.727 20 0 FJADRO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)o1 ZINC000604768418 568362595 /nfs/dbraw/zinc/36/25/95/568362595.db2.gz QAOKVDGXAPOWBQ-VFNWGFHPSA-N 1 0 353.437 4.648 20 0 FJADRO Cc1ccc(COc2ccc(C[NH2+][C@H](CO)c3cccc(F)c3)cc2)cc1 ZINC000604768984 568362628 /nfs/dbraw/zinc/36/26/28/568362628.db2.gz XCPZSVPTZSUAOZ-HSZRJFAPSA-N 1 0 365.448 4.536 20 0 FJADRO Cc1ccc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000604768722 568362648 /nfs/dbraw/zinc/36/26/48/568362648.db2.gz LRMCROKQWTWQCF-UHFFFAOYSA-N 1 0 368.484 4.575 20 0 FJADRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC000604769521 568362831 /nfs/dbraw/zinc/36/28/31/568362831.db2.gz HWIWJSJIQYFSAY-VXKWHMMOSA-N 1 0 350.506 4.527 20 0 FJADRO CCCOc1cccc(C[NH2+]C2CCN([C@H](C)c3ccccc3)CC2)c1 ZINC000604770429 568362940 /nfs/dbraw/zinc/36/29/40/568362940.db2.gz VBQGTXSPRKMZMS-LJQANCHMSA-N 1 0 352.522 4.791 20 0 FJADRO CCC(CC)CN(CC)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000604788670 568367094 /nfs/dbraw/zinc/36/70/94/568367094.db2.gz WDVYAVBTCXQGER-SFHVURJKSA-N 1 0 359.558 4.680 20 0 FJADRO C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@H]1c1cccc(Cl)c1)C(C)(C)C ZINC000604789133 568367236 /nfs/dbraw/zinc/36/72/36/568367236.db2.gz ZDUSTJWYMLSDHP-ZWKOTPCHSA-N 1 0 365.949 4.553 20 0 FJADRO Cc1ccc(Cl)cc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000604792290 568367693 /nfs/dbraw/zinc/36/76/93/568367693.db2.gz WJLIFUTUSJLRQF-MRXNPFEDSA-N 1 0 371.912 4.996 20 0 FJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000604792418 568367719 /nfs/dbraw/zinc/36/77/19/568367719.db2.gz DMTNITAMSVLOFJ-QGZVFWFLSA-N 1 0 363.505 4.522 20 0 FJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000604775046 568368945 /nfs/dbraw/zinc/36/89/45/568368945.db2.gz TYTGOJIGKHXNRK-OAHLLOKOSA-N 1 0 357.885 4.687 20 0 FJADRO Cc1ccc2[nH]c(C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)cc2c1C ZINC000604865706 568380133 /nfs/dbraw/zinc/38/01/33/568380133.db2.gz MVAACCYJPREOGQ-UHFFFAOYSA-N 1 0 367.537 4.513 20 0 FJADRO Cc1ccc(F)c(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000604891759 568381934 /nfs/dbraw/zinc/38/19/34/568381934.db2.gz UMTJWYSWKIJMFZ-UHFFFAOYSA-N 1 0 363.358 4.628 20 0 FJADRO Cc1c2ccccc2oc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000604874788 568382759 /nfs/dbraw/zinc/38/27/59/568382759.db2.gz ZAIGYRMQKNYIOU-UHFFFAOYSA-N 1 0 372.852 4.587 20 0 FJADRO CC[C@H](C)N(Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000604914085 568388550 /nfs/dbraw/zinc/38/85/50/568388550.db2.gz PENQMPMDEPJCRJ-UXHICEINSA-N 1 0 359.558 4.509 20 0 FJADRO CC[C@@H](C)N(Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000604914086 568388584 /nfs/dbraw/zinc/38/85/84/568388584.db2.gz PENQMPMDEPJCRJ-VQTJNVASSA-N 1 0 359.558 4.509 20 0 FJADRO CC[C@H](C)N(Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000604916417 568389287 /nfs/dbraw/zinc/38/92/87/568389287.db2.gz JUBRNDWRSOFBNF-ICSRJNTNSA-N 1 0 371.525 4.673 20 0 FJADRO CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000604916754 568389378 /nfs/dbraw/zinc/38/93/78/568389378.db2.gz GGMGBECGUJIAEE-IBGZPJMESA-N 1 0 367.537 4.649 20 0 FJADRO CCCCc1oc2ccccc2c1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000007127946 568453227 /nfs/dbraw/zinc/45/32/27/568453227.db2.gz BWSYFKCBEKPMAO-LJQANCHMSA-N 1 0 359.433 4.622 20 0 FJADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2SCc2cccs2)CC1 ZINC000365304270 568462999 /nfs/dbraw/zinc/46/29/99/568462999.db2.gz HUBQZGGIHWEHRD-MRXNPFEDSA-N 1 0 374.575 4.597 20 0 FJADRO CC(C)([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(Br)cc1 ZINC000319758053 568476464 /nfs/dbraw/zinc/47/64/64/568476464.db2.gz JWDKNPTYRBZLQZ-UHFFFAOYSA-N 1 0 370.294 4.660 20 0 FJADRO Cc1cccc(NC(=O)[C@H](C)[NH2+]CC(c2ccccc2)c2ccccc2)c1 ZINC000011046191 568482958 /nfs/dbraw/zinc/48/29/58/568482958.db2.gz VLDLRZVQGKEDKA-IBGZPJMESA-N 1 0 358.485 4.744 20 0 FJADRO Fc1cccc2c1SCC[C@H]2[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000433094675 568504349 /nfs/dbraw/zinc/50/43/49/568504349.db2.gz AJIZSWRURHRFCE-OXJNMPFZSA-N 1 0 356.510 4.869 20 0 FJADRO OCC1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CC(c2ccccc2)C1 ZINC000433097149 568504840 /nfs/dbraw/zinc/50/48/40/568504840.db2.gz KZEJAGVJDSIPFD-IPFXWSOASA-N 1 0 357.494 4.509 20 0 FJADRO CC(C)COC1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000604997583 568508113 /nfs/dbraw/zinc/50/81/13/568508113.db2.gz ODTOSZNDSMGIDI-HWKANZROSA-N 1 0 366.343 4.989 20 0 FJADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)c1cccc2ccccc21 ZINC000007443099 568511412 /nfs/dbraw/zinc/51/14/12/568511412.db2.gz IJYQCANADIUDFJ-OXJNMPFZSA-N 1 0 364.514 4.916 20 0 FJADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCCOC(C)(C)C1 ZINC000604999677 568512871 /nfs/dbraw/zinc/51/28/71/568512871.db2.gz HVPFZIMVWVZBGS-QGZVFWFLSA-N 1 0 352.478 4.501 20 0 FJADRO Cc1ccc(OCCC[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1C ZINC000605000896 568514577 /nfs/dbraw/zinc/51/45/77/568514577.db2.gz ZSQFDJUCPBAOAB-UHFFFAOYSA-N 1 0 369.349 4.889 20 0 FJADRO Cc1ccc(-c2csc(NC(=O)c3cccc(-n4ccnc4)c3)n2)s1 ZINC000605080100 568560730 /nfs/dbraw/zinc/56/07/30/568560730.db2.gz ZUEYRJFZJJOXRJ-UHFFFAOYSA-N 1 0 366.471 4.618 20 0 FJADRO CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605102427 568566084 /nfs/dbraw/zinc/56/60/84/568566084.db2.gz HAXHSOVJFLBYOC-RDJZCZTQSA-N 1 0 370.459 4.641 20 0 FJADRO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1cccc(Cl)c1Cl ZINC000605114742 568572200 /nfs/dbraw/zinc/57/22/00/568572200.db2.gz YAZCYQJNUOXJKJ-GFCCVEGCSA-N 1 0 351.277 4.546 20 0 FJADRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)CC1 ZINC000605123826 568578854 /nfs/dbraw/zinc/57/88/54/568578854.db2.gz LMDMTULJKKKJHH-UHFFFAOYSA-N 1 0 372.553 4.592 20 0 FJADRO Cc1cc(C)c(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000605151144 568580287 /nfs/dbraw/zinc/58/02/87/568580287.db2.gz FTNHFGCPCYPZIH-IBGZPJMESA-N 1 0 351.412 4.628 20 0 FJADRO CCC1(O)CCC([NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000643291600 568587085 /nfs/dbraw/zinc/58/70/85/568587085.db2.gz AMLQFIFZBBSGGB-UHFFFAOYSA-N 1 0 367.537 4.839 20 0 FJADRO Cc1cccc([C@H]2CCCCC[N@H+]2Cc2cccc(C(=O)N(C)C)c2)c1 ZINC000605157003 568588375 /nfs/dbraw/zinc/58/83/75/568588375.db2.gz DHOWLHBLKLMNIF-JOCHJYFZSA-N 1 0 350.506 4.814 20 0 FJADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)c1ccsc1)c1ccccc1Cl ZINC000606162290 568681035 /nfs/dbraw/zinc/68/10/35/568681035.db2.gz XNUBMBPCELZBLG-KSSFIOAISA-N 1 0 364.942 4.704 20 0 FJADRO CC(=O)N(c1nc(CN2CC3(CCC3)C[C@@H]2C)cs1)c1ccc(F)cc1 ZINC000365443648 568685895 /nfs/dbraw/zinc/68/58/95/568685895.db2.gz OTFSEDGULGTQLE-AWEZNQCLSA-N 1 0 373.497 4.731 20 0 FJADRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000606177154 568692549 /nfs/dbraw/zinc/69/25/49/568692549.db2.gz LCJFFTVMYJMRCK-SJORKVTESA-N 1 0 356.535 4.542 20 0 FJADRO CCCN(C(=O)[C@H](C)c1cccs1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000606189028 568709981 /nfs/dbraw/zinc/70/99/81/568709981.db2.gz YEEVPFXUHLXUQP-QUCCMNQESA-N 1 0 370.562 4.755 20 0 FJADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)C1 ZINC001165037254 721899710 /nfs/dbraw/zinc/89/97/10/721899710.db2.gz LXGLEGNDWIZSSO-CYBMUJFWSA-N 1 0 371.884 4.539 20 0 FJADRO C[NH+](C)CC1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1 ZINC001165045232 721950148 /nfs/dbraw/zinc/95/01/48/721950148.db2.gz NZLGTVROLJVSIR-UHFFFAOYSA-N 1 0 372.516 4.589 20 0 FJADRO Clc1ccc(-c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nn2)cc1 ZINC001165047022 721966309 /nfs/dbraw/zinc/96/63/09/721966309.db2.gz RCXYKUVRTQYZFB-IBGZPJMESA-N 1 0 370.928 4.642 20 0 FJADRO CC[NH+](CC)C1CCN(c2ncnc3scc(-c4cccs4)c32)CC1 ZINC001165053173 722001582 /nfs/dbraw/zinc/00/15/82/722001582.db2.gz JSCDJPFHMBUHLZ-UHFFFAOYSA-N 1 0 372.563 4.730 20 0 FJADRO CC[NH+](CC)C1CCN(C(F)(F)c2ccc3ccnc(Cl)c3c2)CC1 ZINC001165053913 722002297 /nfs/dbraw/zinc/00/22/97/722002297.db2.gz RVNVYQAOHBASDV-UHFFFAOYSA-N 1 0 367.871 4.744 20 0 FJADRO CC[NH+](CC)C1CCN(C(F)(F)c2cccc3ccnc(Cl)c32)CC1 ZINC001165053325 722003959 /nfs/dbraw/zinc/00/39/59/722003959.db2.gz MVNJUIMRECBWKN-UHFFFAOYSA-N 1 0 367.871 4.744 20 0 FJADRO CC[NH+](CC)C1CCN(c2ccc(-c3cccc4ccccc43)nn2)CC1 ZINC001165054685 722006692 /nfs/dbraw/zinc/00/66/92/722006692.db2.gz XVFOTDFBPGOFJU-UHFFFAOYSA-N 1 0 360.505 4.607 20 0 FJADRO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000110180505 209319339 /nfs/dbraw/zinc/31/93/39/209319339.db2.gz GAIYTYRIDVPWJC-DNVCBOLYSA-N 1 0 350.934 4.664 20 0 FJADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000109657199 209309895 /nfs/dbraw/zinc/30/98/95/209309895.db2.gz FEKLMCKHWDRUDX-HNNXBMFYSA-N 1 0 369.336 4.578 20 0 FJADRO O=C(Nc1ccc(Cl)cc1Cl)NC1CC[NH+](CC2CCCC2)CC1 ZINC000109380001 209305336 /nfs/dbraw/zinc/30/53/36/209305336.db2.gz CTPAUKSWOSLYAI-UHFFFAOYSA-N 1 0 370.324 4.770 20 0 FJADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000107930157 209281235 /nfs/dbraw/zinc/28/12/35/209281235.db2.gz UVDVLZYKOASABE-ZWKOTPCHSA-N 1 0 368.443 4.980 20 0 FJADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000107930149 209281297 /nfs/dbraw/zinc/28/12/97/209281297.db2.gz UVDVLZYKOASABE-MSOLQXFVSA-N 1 0 368.443 4.980 20 0 FJADRO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(F)cc1 ZINC000012816594 220034086 /nfs/dbraw/zinc/03/40/86/220034086.db2.gz HDWSGDIIONUWCM-UHFFFAOYSA-N 1 0 355.240 4.593 20 0 FJADRO Cc1sc2ncnc(NC[C@H](c3ccco3)[NH+]3CCCCC3)c2c1C ZINC000008063498 207218738 /nfs/dbraw/zinc/21/87/38/207218738.db2.gz QQTOWUWPZNIJEC-OAHLLOKOSA-N 1 0 356.495 4.540 20 0 FJADRO CCCc1ccc([C@@H]([NH2+][C@@H](C)c2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 ZINC000034872609 208112697 /nfs/dbraw/zinc/11/26/97/208112697.db2.gz YAXFUYLGAVQFNT-KKSFZXQISA-N 1 0 363.505 4.924 20 0 FJADRO c1ccc2c(c1)COC21CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000040835206 208269966 /nfs/dbraw/zinc/26/99/66/208269966.db2.gz IATSYFFDZXOGEO-UHFFFAOYSA-N 1 0 356.469 4.770 20 0 FJADRO C[NH+](C)[C@H](CNC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000071943367 221388860 /nfs/dbraw/zinc/38/88/60/221388860.db2.gz MFMHJAGLUIZPKK-MRXNPFEDSA-N 1 0 370.255 4.557 20 0 FJADRO O=C(CN[C@H](c1ccccc1)c1ccc(F)cc1)Nc1cccc(Cl)c1 ZINC000071982692 221394164 /nfs/dbraw/zinc/39/41/64/221394164.db2.gz FARTYGNWPKZJAS-OAQYLSRUSA-N 1 0 368.839 4.797 20 0 FJADRO CC(C)Cc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000601961700 567887613 /nfs/dbraw/zinc/88/76/13/567887613.db2.gz HJANNEHYZALFHZ-UHFFFAOYSA-N 1 0 350.506 4.626 20 0 FJADRO COc1ccc(C2([NH2+]Cc3ccc(Oc4cccnc4)c(C)c3)CC2)cc1 ZINC000602275565 567962363 /nfs/dbraw/zinc/96/23/63/567962363.db2.gz SZPAAZCDBWABAH-UHFFFAOYSA-N 1 0 360.457 4.970 20 0 FJADRO Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000602445571 567981082 /nfs/dbraw/zinc/98/10/82/567981082.db2.gz DCKLCDWJYYRTOS-JOCHJYFZSA-N 1 0 373.585 4.844 20 0 FJADRO C[C@H]([NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(F)cc1F ZINC000602584118 567994179 /nfs/dbraw/zinc/99/41/79/567994179.db2.gz NJWWVKKJEUZGIG-KSSFIOAISA-N 1 0 365.427 4.630 20 0 FJADRO O=C(NC1CC1)c1cccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000602567263 567995723 /nfs/dbraw/zinc/99/57/23/567995723.db2.gz MEQOAGSTCLNIPH-DEOSSOPVSA-N 1 0 370.496 4.652 20 0 FJADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000602567256 567995742 /nfs/dbraw/zinc/99/57/42/567995742.db2.gz MAURYOOQPMOLBY-OLZOCXBDSA-N 1 0 373.294 4.746 20 0 FJADRO COc1ccc(-c2nnc(C[N@@H+]3CCCCC[C@H]3c3ccccc3)o2)cc1 ZINC000521425783 568003792 /nfs/dbraw/zinc/00/37/92/568003792.db2.gz MDTDXSWJAGVLFB-FQEVSTJZSA-N 1 0 363.461 4.863 20 0 FJADRO CC[C@@H](C)Oc1cc(C[NH2+][C@H](C)Cc2cccc(OC)c2)ccc1OC ZINC000602909524 568010864 /nfs/dbraw/zinc/01/08/64/568010864.db2.gz YFLWOHZJRJZQDV-IAGOWNOFSA-N 1 0 357.494 4.602 20 0 FJADRO CSC1CC[NH+]([C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000602920552 568013141 /nfs/dbraw/zinc/01/31/41/568013141.db2.gz PEUNWWHPUFXWOI-SNVBAGLBSA-N 1 0 372.321 4.932 20 0 FJADRO FC(F)Oc1cccc(Cl)c1C[NH2+]CCc1cccc2cccnc21 ZINC000602902992 568015655 /nfs/dbraw/zinc/01/56/55/568015655.db2.gz XFAQZJMYLSAZQN-UHFFFAOYSA-N 1 0 362.807 4.822 20 0 FJADRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CCS2 ZINC000186986298 568037163 /nfs/dbraw/zinc/03/71/63/568037163.db2.gz LIQWMBTZKSFOLN-IBGZPJMESA-N 1 0 353.535 4.625 20 0 FJADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(C)(C)Cc1ccccc1)c1ccccc1 ZINC000522762515 568075430 /nfs/dbraw/zinc/07/54/30/568075430.db2.gz OUSPGADBQQZZDK-GOSISDBHSA-N 1 0 352.522 4.501 20 0 FJADRO COc1ccc(COCC[NH2+][C@H](c2cccnc2)C2CCCCC2)cc1 ZINC000603410495 568097851 /nfs/dbraw/zinc/09/78/51/568097851.db2.gz DQGDIKPSNNFILF-QFIPXVFZSA-N 1 0 354.494 4.518 20 0 FJADRO CCCCc1ccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000603451001 568099436 /nfs/dbraw/zinc/09/94/36/568099436.db2.gz MDSPCTKAVFJYHB-UHFFFAOYSA-N 1 0 364.533 4.766 20 0 FJADRO C[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000603512676 568110967 /nfs/dbraw/zinc/11/09/67/568110967.db2.gz CXAAERYAYOIZDI-LRDDRELGSA-N 1 0 370.440 4.876 20 0 FJADRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)ccc1OCc1c(C)noc1C ZINC000603516750 568111676 /nfs/dbraw/zinc/11/16/76/568111676.db2.gz ZFLXQYQUVXQQAZ-BXTJHSDWSA-N 1 0 372.509 4.793 20 0 FJADRO COc1ccc2[nH]cc(CC[NH2+]Cc3c(OC)ccc4ccccc43)c2c1 ZINC000603516511 568111697 /nfs/dbraw/zinc/11/16/97/568111697.db2.gz XBDREFPYEJNDOT-UHFFFAOYSA-N 1 0 360.457 4.671 20 0 FJADRO Cc1[nH]nc2ncc(C[NH2+][C@@H]3CCOc4c(-c5ccccc5)cccc43)cc12 ZINC000603518291 568112067 /nfs/dbraw/zinc/11/20/67/568112067.db2.gz DYVWYYMPIJGUQB-OAQYLSRUSA-N 1 0 370.456 4.547 20 0 FJADRO c1nc2cc(C[NH2+][C@H]3CCOc4c(-c5ccccc5)cccc43)ccc2[nH]1 ZINC000603518669 568112091 /nfs/dbraw/zinc/11/20/91/568112091.db2.gz IMIASXAGJJGQGK-FQEVSTJZSA-N 1 0 355.441 4.843 20 0 FJADRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000603518898 568112835 /nfs/dbraw/zinc/11/28/35/568112835.db2.gz PDFBQFOISDSPRS-HXUWFJFHSA-N 1 0 355.478 4.734 20 0 FJADRO CCN(Cc1ccoc1)C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000603611714 568126155 /nfs/dbraw/zinc/12/61/55/568126155.db2.gz NUFAWLMYETXYQL-SFHVURJKSA-N 1 0 371.525 4.721 20 0 FJADRO C[C@@H](NC(=O)Nc1cccc(C(C)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187033144 568129299 /nfs/dbraw/zinc/12/92/99/568129299.db2.gz KHSPRHPXDYYQOE-CABCVRRESA-N 1 0 365.468 4.573 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC000603686152 568135510 /nfs/dbraw/zinc/13/55/10/568135510.db2.gz NLYMSDGSSBYEKA-HZPDHXFCSA-N 1 0 373.928 4.548 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000603687107 568135696 /nfs/dbraw/zinc/13/56/96/568135696.db2.gz JXKBAERQMDVIGW-HZPDHXFCSA-N 1 0 374.525 4.767 20 0 FJADRO c1ccc(-c2ncc(C[NH2+]CCCO[C@@H]3CCCc4ccccc43)cn2)cc1 ZINC000603723583 568142173 /nfs/dbraw/zinc/14/21/73/568142173.db2.gz IDDWRHRBZNYQFU-HSZRJFAPSA-N 1 0 373.500 4.718 20 0 FJADRO Cc1ccc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)cc1C ZINC000603824563 568150861 /nfs/dbraw/zinc/15/08/61/568150861.db2.gz DOSZZTOKVCXHNH-UHFFFAOYSA-N 1 0 374.322 4.861 20 0 FJADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1 ZINC000603755783 568152453 /nfs/dbraw/zinc/15/24/53/568152453.db2.gz YCBGAHFQWKDZBM-KRWDZBQOSA-N 1 0 356.535 4.789 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)N2CCCc3c(C)cccc32)cc1)C(C)C ZINC000603850870 568165242 /nfs/dbraw/zinc/16/52/42/568165242.db2.gz BKHKKJZKNGKGJT-UHFFFAOYSA-N 1 0 350.506 4.818 20 0 FJADRO Brc1ccc(C2([NH2+]Cc3ccc4c(n3)CCC4)CCC2)cc1 ZINC000563099317 568167296 /nfs/dbraw/zinc/16/72/96/568167296.db2.gz UNSYUPIUFPABES-UHFFFAOYSA-N 1 0 357.295 4.502 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000603924434 568182196 /nfs/dbraw/zinc/18/21/96/568182196.db2.gz SPACMHGOGFRHIM-UHFFFAOYSA-N 1 0 374.550 4.680 20 0 FJADRO CC(C)(C[NH2+]Cc1ccccc1OCc1ccncc1)c1cccs1 ZINC000603949589 568186914 /nfs/dbraw/zinc/18/69/14/568186914.db2.gz GPYMEUDNFLSTPK-UHFFFAOYSA-N 1 0 352.503 4.790 20 0 FJADRO CCSCc1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000603954895 568189301 /nfs/dbraw/zinc/18/93/01/568189301.db2.gz JYWULICBYSVZMM-OAQYLSRUSA-N 1 0 368.546 4.507 20 0 FJADRO CC[C@H](NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1ccc(Cl)s1 ZINC000603989286 568192159 /nfs/dbraw/zinc/19/21/59/568192159.db2.gz KHPXTMQNIIKGOD-HNNXBMFYSA-N 1 0 371.978 4.614 20 0 FJADRO CC[C@@H](NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1ccc(Cl)s1 ZINC000603989287 568192164 /nfs/dbraw/zinc/19/21/64/568192164.db2.gz KHPXTMQNIIKGOD-OAHLLOKOSA-N 1 0 371.978 4.614 20 0 FJADRO CCC(CC)C[N@H+](CC)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000604049411 568201289 /nfs/dbraw/zinc/20/12/89/568201289.db2.gz VPSRBOFXSDDSST-UHFFFAOYSA-N 1 0 355.404 4.612 20 0 FJADRO CC(=O)N(c1nc(CN(C)Cc2ccc(C(C)(C)C)cc2)cs1)C1CC1 ZINC000604040788 568202907 /nfs/dbraw/zinc/20/29/07/568202907.db2.gz ILDHYZQFEQIXLL-UHFFFAOYSA-N 1 0 371.550 4.588 20 0 FJADRO CCc1noc([C@H](C)[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCCC2)n1 ZINC000604061966 568204705 /nfs/dbraw/zinc/20/47/05/568204705.db2.gz NWPKQPPDACJUCI-ZDUSSCGKSA-N 1 0 367.415 4.813 20 0 FJADRO CCCOc1ccccc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000604068356 568205859 /nfs/dbraw/zinc/20/58/59/568205859.db2.gz JGERQHJEOQBNBM-UHFFFAOYSA-N 1 0 354.494 4.562 20 0 FJADRO CC(C)c1ccc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000604069812 568206125 /nfs/dbraw/zinc/20/61/25/568206125.db2.gz LEMOCSFCOXVIJN-UHFFFAOYSA-N 1 0 355.869 4.846 20 0 FJADRO Cc1cc(C)c(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c(C)c1 ZINC000604069988 568206176 /nfs/dbraw/zinc/20/61/76/568206176.db2.gz WXGZDPXSTOIQCV-UHFFFAOYSA-N 1 0 355.869 4.648 20 0 FJADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1cccc2ccccc21 ZINC000604072173 568210429 /nfs/dbraw/zinc/21/04/29/568210429.db2.gz MISIPKPCINHIIS-HXUWFJFHSA-N 1 0 359.473 4.626 20 0 FJADRO Cc1cc(C)c(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000604092302 568211830 /nfs/dbraw/zinc/21/18/30/568211830.db2.gz IIUPSXRGEPIUFQ-GOSISDBHSA-N 1 0 371.912 4.743 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000604198931 568225057 /nfs/dbraw/zinc/22/50/57/568225057.db2.gz LRIZYRVVYQHTFZ-YCRPNKLZSA-N 1 0 374.550 4.536 20 0 FJADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2)C1 ZINC000604221412 568230752 /nfs/dbraw/zinc/23/07/52/568230752.db2.gz SMTWVKAMVMPXBT-KRWDZBQOSA-N 1 0 366.480 4.728 20 0 FJADRO CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000604318691 568246592 /nfs/dbraw/zinc/24/65/92/568246592.db2.gz WYTVWHOPVNHJFJ-OAQYLSRUSA-N 1 0 350.591 4.808 20 0 FJADRO COc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1SC ZINC000303181455 568256099 /nfs/dbraw/zinc/25/60/99/568256099.db2.gz KUCBBLLNWJVWSQ-SFHVURJKSA-N 1 0 370.518 4.583 20 0 FJADRO COc1ccccc1[C@H]1CCCN1Cc1nc2ccccc2n1C(F)F ZINC000303217857 568258576 /nfs/dbraw/zinc/25/85/76/568258576.db2.gz UCFMMNJOUPORKA-MRXNPFEDSA-N 1 0 357.404 4.777 20 0 FJADRO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(F)c(Br)c2)s1 ZINC000303257922 568260233 /nfs/dbraw/zinc/26/02/33/568260233.db2.gz CIVWLPCVWRQSFM-SNVBAGLBSA-N 1 0 357.292 4.855 20 0 FJADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)c1cccc2ccccc21 ZINC000212788113 568263276 /nfs/dbraw/zinc/26/32/76/568263276.db2.gz CEKDMHKHEXMNOJ-RBUKOAKNSA-N 1 0 358.485 4.653 20 0 FJADRO CCCC[NH+]1CCC(NC(=O)c2ccc(-c3ccc(C)cc3)cc2F)CC1 ZINC000303309408 568265920 /nfs/dbraw/zinc/26/59/20/568265920.db2.gz OOCIFRXSLYVVBX-UHFFFAOYSA-N 1 0 368.496 4.795 20 0 FJADRO Cc1nc(C)c([C@H](C)N(C)CC(=O)N[C@H](CC(C)C)c2ccccc2)s1 ZINC000303357825 568267887 /nfs/dbraw/zinc/26/78/87/568267887.db2.gz ZYYCWWFYXOZPEZ-QFBILLFUSA-N 1 0 373.566 4.656 20 0 FJADRO Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)o1 ZINC000604416606 568274697 /nfs/dbraw/zinc/27/46/97/568274697.db2.gz OAXGBEGWNCWIPR-FQEVSTJZSA-N 1 0 355.384 4.628 20 0 FJADRO Cc1cccnc1[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C(C)C ZINC000604417160 568275282 /nfs/dbraw/zinc/27/52/82/568275282.db2.gz JIROQNCMPMMMLS-QFIPXVFZSA-N 1 0 361.489 4.851 20 0 FJADRO CSc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc([S@@](C)=O)cc1)CCC2 ZINC000563136268 568275313 /nfs/dbraw/zinc/27/53/13/568275313.db2.gz QVIWYKHDHOIOSR-UHXKVLTISA-N 1 0 359.560 4.874 20 0 FJADRO Cc1nc(COc2ccc(C[NH2+][C@@H](CCC(C)C)C(C)(C)C)cc2)no1 ZINC000604417656 568275796 /nfs/dbraw/zinc/27/57/96/568275796.db2.gz ORQFPKYXNCILPG-IBGZPJMESA-N 1 0 359.514 4.898 20 0 FJADRO Cc1cccc([C@H](C)N[C@@H](C(=O)N2CCCCC2)c2ccccc2)c1C ZINC000604413192 568278144 /nfs/dbraw/zinc/27/81/44/568278144.db2.gz VECDIUGFARFTAK-SIKLNZKXSA-N 1 0 350.506 4.708 20 0 FJADRO O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000303447769 568279123 /nfs/dbraw/zinc/27/91/23/568279123.db2.gz IVFUUOPWQWYEFN-SFHVURJKSA-N 1 0 352.865 4.801 20 0 FJADRO C[C@H]([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1ccc2c(c1)OCO2 ZINC000604414839 568279520 /nfs/dbraw/zinc/27/95/20/568279520.db2.gz CWIVXDFZSGBMFK-LBPRGKRZSA-N 1 0 357.356 4.804 20 0 FJADRO Cc1ccc(-c2ncc(C[NH2+]CCc3cnn(-c4ccccc4)c3)s2)cc1 ZINC000604414849 568279579 /nfs/dbraw/zinc/27/95/79/568279579.db2.gz FNXZYOLHWIVFOV-UHFFFAOYSA-N 1 0 374.513 4.637 20 0 FJADRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)cn1 ZINC000604415195 568280360 /nfs/dbraw/zinc/28/03/60/568280360.db2.gz CNJDXWUFZCXZBX-UHFFFAOYSA-N 1 0 367.468 4.925 20 0 FJADRO COC1CCC([N@H+](C)CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000604392707 568282922 /nfs/dbraw/zinc/28/29/22/568282922.db2.gz KZFMOPIGEAVOKS-UHFFFAOYSA-N 1 0 353.506 4.682 20 0 FJADRO CCOc1ccc(-c2noc(C[N@@H+]3C[C@H](c4ccccc4)C[C@H]3C)n2)cc1 ZINC000604392919 568283117 /nfs/dbraw/zinc/28/31/17/568283117.db2.gz KPBVUEVTBNSTDA-VQIMIIECSA-N 1 0 363.461 4.513 20 0 FJADRO Cc1sc2nc([C@H](C)[N@@H+]3C[C@H](c4ccccc4)C[C@@H]3C)nc(N)c2c1C ZINC000604393907 568283775 /nfs/dbraw/zinc/28/37/75/568283775.db2.gz QLAQENNSSBCOIA-RVSPLBMKSA-N 1 0 366.534 4.829 20 0 FJADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000604394104 568284077 /nfs/dbraw/zinc/28/40/77/568284077.db2.gz AYPGDAOOLAETGN-RHSMWYFYSA-N 1 0 354.400 4.998 20 0 FJADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000604394535 568284640 /nfs/dbraw/zinc/28/46/40/568284640.db2.gz RXSSANHGNKYTGH-NVXWUHKLSA-N 1 0 353.491 4.609 20 0 FJADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1 ZINC000303508285 568285019 /nfs/dbraw/zinc/28/50/19/568285019.db2.gz NLHSPMUNMUWWGB-LAUBAEHRSA-N 1 0 374.550 4.519 20 0 FJADRO C[C@H](OC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000604608377 568326150 /nfs/dbraw/zinc/32/61/50/568326150.db2.gz RCWIAWXPSWOIKB-HBCLNWRISA-N 1 0 373.924 4.657 20 0 FJADRO CC1CCC([NH+]2CCN(C(=O)Nc3cccc(Cl)c3Cl)CC2)CC1 ZINC000604609074 568326597 /nfs/dbraw/zinc/32/65/97/568326597.db2.gz QSUVCILHYBDCFC-UHFFFAOYSA-N 1 0 370.324 4.722 20 0 FJADRO Cc1ccc([C@@H](CNC(=O)Nc2ccccc2OC(C)(C)C)[NH+](C)C)cc1 ZINC000604630501 568332092 /nfs/dbraw/zinc/33/20/92/568332092.db2.gz AVWNHVFXMHCGKQ-LJQANCHMSA-N 1 0 369.509 4.597 20 0 FJADRO CC[C@H](C)c1ccc([C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000604634362 568333196 /nfs/dbraw/zinc/33/31/96/568333196.db2.gz SCWNASVOBXXCHV-NNMXDRDESA-N 1 0 373.585 4.880 20 0 FJADRO CC(C)[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1Cl ZINC000604657088 568339962 /nfs/dbraw/zinc/33/99/62/568339962.db2.gz BLBCZPZBTXCOLL-SFHVURJKSA-N 1 0 365.949 4.553 20 0 FJADRO Cc1cccc([C@@H](C)NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1C ZINC000604670001 568344694 /nfs/dbraw/zinc/34/46/94/568344694.db2.gz QJSIEKFHWDEPPR-HXUWFJFHSA-N 1 0 371.569 4.662 20 0 FJADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000604699767 568347546 /nfs/dbraw/zinc/34/75/46/568347546.db2.gz HGHLYFJDXYRKBR-IAGOWNOFSA-N 1 0 358.432 4.549 20 0 FJADRO Cc1ccccc1[C@H](C)CC(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000604701284 568347917 /nfs/dbraw/zinc/34/79/17/568347917.db2.gz KXSKHBQCADRNQE-LJQANCHMSA-N 1 0 350.506 4.616 20 0 FJADRO C[NH+](C)CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000604726891 568353394 /nfs/dbraw/zinc/35/33/94/568353394.db2.gz YDQQILBIZAMCBH-VBQJREDUSA-N 1 0 371.352 4.580 20 0 FJADRO C[NH+](C)CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000604726888 568353414 /nfs/dbraw/zinc/35/34/14/568353414.db2.gz YDQQILBIZAMCBH-CPUCHLNUSA-N 1 0 371.352 4.580 20 0 FJADRO C[C@H](CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cccc(F)c1 ZINC000604744935 568356029 /nfs/dbraw/zinc/35/60/29/568356029.db2.gz TUNGBVDRKTUNDC-SJORKVTESA-N 1 0 356.485 4.565 20 0 FJADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](CC2CCCC2)C(C)C)CC1 ZINC000604746792 568356356 /nfs/dbraw/zinc/35/63/56/568356356.db2.gz IWRKAJYKINJZOJ-NRFANRHFSA-N 1 0 350.591 4.809 20 0 FJADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1csc2ccccc12)C(F)(F)F ZINC000604764909 568361725 /nfs/dbraw/zinc/36/17/25/568361725.db2.gz CAEPKYLDABHXEE-WMZOPIPTSA-N 1 0 365.420 4.525 20 0 FJADRO C[C@H]([NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(C)(C)O ZINC000604764983 568361762 /nfs/dbraw/zinc/36/17/62/568361762.db2.gz KMMSBFOSXAIYDT-ZDUSSCGKSA-N 1 0 368.304 4.821 20 0 FJADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000604767365 568362279 /nfs/dbraw/zinc/36/22/79/568362279.db2.gz IPVCXVKJDCNWBK-SFHVURJKSA-N 1 0 362.498 4.590 20 0 FJADRO C[C@](CO)([NH2+]Cc1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1 ZINC000604767297 568362291 /nfs/dbraw/zinc/36/22/91/568362291.db2.gz IBBJPDKWNJZIBC-HXUWFJFHSA-N 1 0 359.391 4.856 20 0 FJADRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000604769760 568362780 /nfs/dbraw/zinc/36/27/80/568362780.db2.gz NFUBICOCIRVYIE-SJLPKXTDSA-N 1 0 374.525 4.727 20 0 FJADRO CCCOc1ccc(C[NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)cc1 ZINC000604769677 568362846 /nfs/dbraw/zinc/36/28/46/568362846.db2.gz HOKOSKYNGSDYTD-IBGZPJMESA-N 1 0 352.522 4.791 20 0 FJADRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000604770379 568362962 /nfs/dbraw/zinc/36/29/62/568362962.db2.gz WKMGRLCJJNQBJV-ZWKOTPCHSA-N 1 0 356.535 4.588 20 0 FJADRO CCCOc1cccc(C[NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)c1 ZINC000604770427 568362968 /nfs/dbraw/zinc/36/29/68/568362968.db2.gz VBQGTXSPRKMZMS-IBGZPJMESA-N 1 0 352.522 4.791 20 0 FJADRO CN(C)C(=O)[C@H]([NH2+]CC1(Sc2ccccc2)CCCC1)c1ccccc1 ZINC000604773759 568363718 /nfs/dbraw/zinc/36/37/18/568363718.db2.gz WQWUOSWOOHMGQV-HXUWFJFHSA-N 1 0 368.546 4.511 20 0 FJADRO C[C@@H](C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1c(Cl)cccc1Cl ZINC000604773798 568363862 /nfs/dbraw/zinc/36/38/62/568363862.db2.gz YVLRBEIGWPWGJK-SCLBCKFNSA-N 1 0 365.304 4.516 20 0 FJADRO CC(C)(C)[NH+]1CCC(Nc2ccnc3cc(Br)ccc32)CC1 ZINC000604756998 568365160 /nfs/dbraw/zinc/36/51/60/568365160.db2.gz ROVLHCQLHISRJM-UHFFFAOYSA-N 1 0 362.315 4.672 20 0 FJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]2C2CCCC2)CC1 ZINC000604788356 568367032 /nfs/dbraw/zinc/36/70/32/568367032.db2.gz RTGPFMHYZHELDM-XMSQKQJNSA-N 1 0 369.553 4.576 20 0 FJADRO CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)c1cc2ccccc2o1 ZINC000604789176 568367214 /nfs/dbraw/zinc/36/72/14/568367214.db2.gz SZTNJYYJAKADMQ-UZLBHIALSA-N 1 0 373.541 4.892 20 0 FJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000604775045 568368931 /nfs/dbraw/zinc/36/89/31/568368931.db2.gz TYTGOJIGKHXNRK-HNNXBMFYSA-N 1 0 357.885 4.687 20 0 FJADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC000604861252 568379266 /nfs/dbraw/zinc/37/92/66/568379266.db2.gz NRKRTDXJWCMHFP-IBGZPJMESA-N 1 0 374.594 4.720 20 0 FJADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 ZINC000604866329 568380271 /nfs/dbraw/zinc/38/02/71/568380271.db2.gz IQGCUBRLFNIEOJ-UGKGYDQZSA-N 1 0 358.570 4.787 20 0 FJADRO C[C@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000604892083 568382082 /nfs/dbraw/zinc/38/20/82/568382082.db2.gz JGHLUCKTIJNQDE-PIKOESSRSA-N 1 0 370.562 4.705 20 0 FJADRO CC[C@@H](C)N(Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000604916418 568389277 /nfs/dbraw/zinc/38/92/77/568389277.db2.gz JUBRNDWRSOFBNF-QUCCMNQESA-N 1 0 371.525 4.673 20 0 FJADRO CCCC[C@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000604943813 568406792 /nfs/dbraw/zinc/40/67/92/568406792.db2.gz JXMVTOGBOQFIOI-BHGTWAMESA-N 1 0 356.554 4.905 20 0 FJADRO C[NH+](C)Cc1ccc(C(=O)Nc2nc(/C=C\c3ccccc3)cs2)cc1 ZINC000604963145 568428666 /nfs/dbraw/zinc/42/86/66/568428666.db2.gz ZRXGCJWGVZHJMO-RAXLEYEMSA-N 1 0 363.486 4.627 20 0 FJADRO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000007093155 568446107 /nfs/dbraw/zinc/44/61/07/568446107.db2.gz RZRIAXMDSMEAKT-GHMZBOCLSA-N 1 0 355.240 4.810 20 0 FJADRO Cc1cc([C@H]2CCC[N@@H+]2CC/C=C\c2ccc(Br)cc2)on1 ZINC000604997226 568507811 /nfs/dbraw/zinc/50/78/11/568507811.db2.gz BCZLTYJFYSFWDJ-OMUXJLDVSA-N 1 0 361.283 4.986 20 0 FJADRO CCc1ccc(C[N@H+](Cc2cccc(OC)c2)C2CCC(O)CC2)cc1 ZINC000604997710 568508011 /nfs/dbraw/zinc/50/80/11/568508011.db2.gz DFAXLDBSMGZSHW-UHFFFAOYSA-N 1 0 353.506 4.563 20 0 FJADRO CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2nc(C)cs2)cc1 ZINC000605008477 568515843 /nfs/dbraw/zinc/51/58/43/568515843.db2.gz XCXCYJOKKZILMJ-OALUTQOASA-N 1 0 360.523 4.720 20 0 FJADRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]Cc2csc(C(C)(C)C)n2)C1 ZINC000605008914 568516073 /nfs/dbraw/zinc/51/60/73/568516073.db2.gz DFQJUAGVEXDDLZ-INIZCTEOSA-N 1 0 361.530 4.647 20 0 FJADRO Cc1ccc([C@@H]([NH2+]CC(=O)N[C@@H](C)c2cccs2)c2ccccc2)cc1 ZINC000007542201 568529900 /nfs/dbraw/zinc/52/99/00/568529900.db2.gz BOVLBFASBMDYHO-JTSKRJEESA-N 1 0 364.514 4.613 20 0 FJADRO CSc1ccc(F)cc1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000525802504 568541885 /nfs/dbraw/zinc/54/18/85/568541885.db2.gz ZMNGOCJJRXAHPN-UHFFFAOYSA-N 1 0 368.477 4.811 20 0 FJADRO Cc1csc(CC[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)n1 ZINC000643287222 568543547 /nfs/dbraw/zinc/54/35/47/568543547.db2.gz PYLNCNLBNZNSQE-UHFFFAOYSA-N 1 0 366.534 4.762 20 0 FJADRO CCc1ccc([C@H]2CCCN2C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)o1 ZINC000605097081 568563425 /nfs/dbraw/zinc/56/34/25/568563425.db2.gz GQLVDXZFOSUWSO-OAQYLSRUSA-N 1 0 366.505 4.804 20 0 FJADRO CC(C)CCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605102807 568566230 /nfs/dbraw/zinc/56/62/30/568566230.db2.gz GQJPMMIBNLKDJM-APWZRJJASA-N 1 0 370.459 4.641 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)o1 ZINC000605113637 568571607 /nfs/dbraw/zinc/57/16/07/568571607.db2.gz QNDYQXVRJWWBPD-LBPRGKRZSA-N 1 0 369.292 4.919 20 0 FJADRO CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCS[C@@H](c2ccccc2)C1 ZINC000605155482 568600353 /nfs/dbraw/zinc/60/03/53/568600353.db2.gz RYHIZXLAQWZTEO-DYESRHJHSA-N 1 0 368.546 4.927 20 0 FJADRO c1csc(-c2noc(CCC[N@@H+]3CCS[C@@H](c4ccccc4)C3)n2)c1 ZINC000605155671 568600981 /nfs/dbraw/zinc/60/09/81/568600981.db2.gz XKGYZIVQWMREHH-QGZVFWFLSA-N 1 0 371.531 4.521 20 0 FJADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)c1cccs1)c1ccccc1Cl ZINC000606162317 568681017 /nfs/dbraw/zinc/68/10/17/568681017.db2.gz YYMIFMRIPAWDBB-WMLDXEAASA-N 1 0 364.942 4.704 20 0 FJADRO C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1cccs1 ZINC000606163079 568681490 /nfs/dbraw/zinc/68/14/90/568681490.db2.gz WLZVXBICTRTZEP-CVEARBPZSA-N 1 0 362.564 4.503 20 0 FJADRO O=C(CC/C=C/c1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000606164538 568682653 /nfs/dbraw/zinc/68/26/53/568682653.db2.gz MGHGWISSAAHRIA-WLRTZDKTSA-N 1 0 362.517 4.782 20 0 FJADRO CCc1ccc([C@H](C)CC(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000606177983 568693183 /nfs/dbraw/zinc/69/31/83/568693183.db2.gz ZNPRBOXASSHSJA-LJQANCHMSA-N 1 0 364.533 4.870 20 0 FJADRO CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000182058259 568713858 /nfs/dbraw/zinc/71/38/58/568713858.db2.gz NTYHHCGTEFIUEO-MRXNPFEDSA-N 1 0 358.482 4.519 20 0 FJADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCCCC12CC[NH2+]CC2 ZINC001164422227 718910342 /nfs/dbraw/zinc/91/03/42/718910342.db2.gz XSEWZAWDCQSOFI-UHFFFAOYSA-N 1 0 365.855 4.546 20 0 FJADRO C[NH+](C)[C@H]1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)C1 ZINC001165034626 721895404 /nfs/dbraw/zinc/89/54/04/721895404.db2.gz GHEFWKKFZQFKGA-HNNXBMFYSA-N 1 0 372.925 4.542 20 0 FJADRO Cc1nc2scc(-c3cccs3)c2c(N(C)CC2CC[NH+](C)CC2)n1 ZINC001165042052 721937212 /nfs/dbraw/zinc/93/72/12/721937212.db2.gz DADSRILFWVLTKU-UHFFFAOYSA-N 1 0 372.563 4.506 20 0 FJADRO Clc1cccc(-c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nn2)c1 ZINC001165046594 721975922 /nfs/dbraw/zinc/97/59/22/721975922.db2.gz AOTGESAZIXMRDR-IBGZPJMESA-N 1 0 370.928 4.642 20 0 FJADRO Clc1nc(Cl)c(N2CCCC[C@@H]2CC[NH+]2CCCC2)c(C2CC2)n1 ZINC001165049645 721978559 /nfs/dbraw/zinc/97/85/59/721978559.db2.gz MGXLMIUKQNUJCK-CQSZACIVSA-N 1 0 369.340 4.506 20 0 FJADRO CC[NH+](CC)C1CCN(c2c(C)c(Cl)nc3cc(F)cc(F)c32)CC1 ZINC001165053738 722007377 /nfs/dbraw/zinc/00/73/77/722007377.db2.gz DRHLACXNNDKFQA-UHFFFAOYSA-N 1 0 367.871 4.785 20 0 FJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc4ccccc4n2)C3)c1 ZINC001164994243 722191908 /nfs/dbraw/zinc/19/19/08/722191908.db2.gz LZENCGKEHQDJRF-QHCPKHFHSA-N 1 0 361.464 4.619 20 0 FJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nccc4ccsc42)C3)c1 ZINC001164993275 722196876 /nfs/dbraw/zinc/19/68/76/722196876.db2.gz DZEGIHWNTLWAFS-NRFANRHFSA-N 1 0 367.493 4.680 20 0 FJADRO Fc1cccc2c1SCC[C@H]2[NH2+]Cc1ccc(Br)s1 ZINC000030910423 209845579 /nfs/dbraw/zinc/84/55/79/209845579.db2.gz PVNZDWVIRKRSBV-GFCCVEGCSA-N 1 0 358.301 4.976 20 0 FJADRO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000109102568 209298208 /nfs/dbraw/zinc/29/82/08/209298208.db2.gz ICRBYGSXIRVMBJ-IBGZPJMESA-N 1 0 354.519 4.883 20 0 FJADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c(Cl)c1 ZINC000109016966 209295497 /nfs/dbraw/zinc/29/54/97/209295497.db2.gz MIQBJWQDZAIQLY-MRXNPFEDSA-N 1 0 360.860 4.638 20 0 FJADRO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000108553093 209290011 /nfs/dbraw/zinc/29/00/11/209290011.db2.gz PBOGLZHUYHYZOP-QGZVFWFLSA-N 1 0 374.843 4.566 20 0 FJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000107941209 209281654 /nfs/dbraw/zinc/28/16/54/209281654.db2.gz VFYXJUOPRUHZLD-JOCHJYFZSA-N 1 0 365.521 4.575 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c(F)cccc1Cl ZINC000107604763 209277647 /nfs/dbraw/zinc/27/76/47/209277647.db2.gz JQBCCJUBCXJJBW-OAHLLOKOSA-N 1 0 374.887 4.784 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1ccccc1Cl ZINC000107586858 209277041 /nfs/dbraw/zinc/27/70/41/209277041.db2.gz YESGKCPLQFQCEJ-QGZVFWFLSA-N 1 0 370.924 4.573 20 0 FJADRO c1ccc(CC[N@@H+](Cc2ccncc2)CC2=Cc3ccccc3OC2)cc1 ZINC000013990123 220100156 /nfs/dbraw/zinc/10/01/56/220100156.db2.gz XOQLCOOAUGBHOY-UHFFFAOYSA-N 1 0 356.469 4.602 20 0 FJADRO Cc1oc(C)c(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000071961423 208789261 /nfs/dbraw/zinc/78/92/61/208789261.db2.gz NLXOAQKAINUCEF-HZPDHXFCSA-N 1 0 368.521 4.613 20 0 FJADRO O=C(c1ccccc1)C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000052412017 221038009 /nfs/dbraw/zinc/03/80/09/221038009.db2.gz SSZXVMUJZJJVJH-UHFFFAOYSA-N 1 0 364.876 4.983 20 0 FJADRO O=C(c1ccccc1)C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000052412020 221038170 /nfs/dbraw/zinc/03/81/70/221038170.db2.gz FOGYATISULNXDW-UHFFFAOYSA-N 1 0 364.876 4.983 20 0 FJADRO CC(C)[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000061016029 221133802 /nfs/dbraw/zinc/13/38/02/221133802.db2.gz VETDEARQMCWKQL-IBGZPJMESA-N 1 0 365.395 4.964 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)N2CCCc3c(F)cc(F)cc32)cc1)C(C)C ZINC000110125026 132246484 /nfs/dbraw/zinc/24/64/84/132246484.db2.gz QIRRCMOXKINDKZ-UHFFFAOYSA-N 1 0 372.459 4.788 20 0 FJADRO c1ccc(-c2ccc(C[NH+]3CCC(c4nnc5ccccn54)CC3)cc2)cc1 ZINC000096955623 222146763 /nfs/dbraw/zinc/14/67/63/222146763.db2.gz KSEZTLRXSJWOIK-UHFFFAOYSA-N 1 0 368.484 4.776 20 0 FJADRO COc1ccccc1CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000105445602 222369873 /nfs/dbraw/zinc/36/98/73/222369873.db2.gz XJGRBPGCDAKYAA-UHFFFAOYSA-N 1 0 366.505 4.641 20 0 FJADRO C[NH+](C)Cc1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000008062812 567864507 /nfs/dbraw/zinc/86/45/07/567864507.db2.gz NIOGKNHXHDXWQA-UHFFFAOYSA-N 1 0 372.512 4.587 20 0 FJADRO CC(C)c1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000062372756 567950039 /nfs/dbraw/zinc/95/00/39/567950039.db2.gz NCVIFYRFYCSVHV-UHFFFAOYSA-N 1 0 357.473 4.545 20 0 FJADRO CCN(C(C)=O)c1nc(C[NH2+]C(C)(C)CC2CCCCCC2)cs1 ZINC000186610311 567957352 /nfs/dbraw/zinc/95/73/52/567957352.db2.gz BYXSOPYLQPTTRJ-UHFFFAOYSA-N 1 0 351.560 4.745 20 0 FJADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000521415320 567960653 /nfs/dbraw/zinc/96/06/53/567960653.db2.gz FJXVNJXOUOCSNU-HNAYVOBHSA-N 1 0 374.525 4.806 20 0 FJADRO C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1cc(Cl)ccc1Cl ZINC000186772692 567981920 /nfs/dbraw/zinc/98/19/20/567981920.db2.gz ZLYRPLRXHHGEMM-ZDUSSCGKSA-N 1 0 371.352 4.929 20 0 FJADRO C[C@@H]([NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(F)c(F)c1 ZINC000602584082 567994134 /nfs/dbraw/zinc/99/41/34/567994134.db2.gz DFYPEUBUAUIAIY-KDOFPFPSSA-N 1 0 365.427 4.630 20 0 FJADRO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000521424443 567994971 /nfs/dbraw/zinc/99/49/71/567994971.db2.gz DCFYSXGIHCITPT-HXUWFJFHSA-N 1 0 350.437 4.996 20 0 FJADRO O=C(NC1CC1)c1cccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000602567270 567995731 /nfs/dbraw/zinc/99/57/31/567995731.db2.gz MEQOAGSTCLNIPH-XMMPIXPASA-N 1 0 370.496 4.652 20 0 FJADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000602570267 567995990 /nfs/dbraw/zinc/99/59/90/567995990.db2.gz SOPKELKTYMTZRJ-ZIAGYGMSSA-N 1 0 361.436 4.907 20 0 FJADRO C[C@@H](c1cccc2ccccc21)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000602879908 568003984 /nfs/dbraw/zinc/00/39/84/568003984.db2.gz HOHLNVOBMBTRMU-ZWKOTPCHSA-N 1 0 352.522 4.775 20 0 FJADRO C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000602910965 568011148 /nfs/dbraw/zinc/01/11/48/568011148.db2.gz PPJRAJBRETVEMG-CQSZACIVSA-N 1 0 360.876 4.543 20 0 FJADRO C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000602660317 568012087 /nfs/dbraw/zinc/01/20/87/568012087.db2.gz QYHNSWHPAAGWEB-DBXWQHBBSA-N 1 0 358.526 4.595 20 0 FJADRO CSC1CC[NH+]([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000602921455 568013313 /nfs/dbraw/zinc/01/33/13/568013313.db2.gz ZRNBOZIPMCGUBP-JTQLQIEISA-N 1 0 372.321 4.932 20 0 FJADRO FC(F)Oc1ccc([C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c2ccccc2)cc1 ZINC000186937104 568017663 /nfs/dbraw/zinc/01/76/63/568017663.db2.gz KNXPSPQQBVKDGJ-UAFMIMERSA-N 1 0 359.416 4.535 20 0 FJADRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(Cn3ccnc3)cc1)CCS2 ZINC000186992042 568040040 /nfs/dbraw/zinc/04/00/40/568040040.db2.gz CMUWAHZMYZNRAY-NRFANRHFSA-N 1 0 363.530 4.875 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1cccc(F)c1F ZINC000065425820 568045277 /nfs/dbraw/zinc/04/52/77/568045277.db2.gz DGZCLJBJMBLONR-OAHLLOKOSA-N 1 0 373.447 4.661 20 0 FJADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187013828 568045531 /nfs/dbraw/zinc/04/55/31/568045531.db2.gz LBODOYUQPPOTOW-HNNXBMFYSA-N 1 0 353.457 4.574 20 0 FJADRO CCOC(=O)c1ncc(C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)s1 ZINC000602806084 568048586 /nfs/dbraw/zinc/04/85/86/568048586.db2.gz OOUQPRJEGAXMIB-CYBMUJFWSA-N 1 0 364.536 4.671 20 0 FJADRO COc1ccc(C[NH2+][C@H]2CCSc3cc(C)c(C)cc32)c(OC)c1OC ZINC000187026306 568049575 /nfs/dbraw/zinc/04/95/75/568049575.db2.gz JAEINVDLSRSXAX-KRWDZBQOSA-N 1 0 373.518 4.656 20 0 FJADRO CN1CCC[C@@H](C[NH2+]Cc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522756755 568049637 /nfs/dbraw/zinc/04/96/37/568049637.db2.gz FLJVRHNCOHZDCP-AZUAARDMSA-N 1 0 362.439 4.878 20 0 FJADRO OC[C@H]1[C@@H]2C[N@H+](Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)C[C@H]12 ZINC000644836586 568071776 /nfs/dbraw/zinc/07/17/76/568071776.db2.gz CVDWGXXKVYGKPF-LNWKWYTESA-N 1 0 370.496 4.827 20 0 FJADRO Cc1ccc([C@H]([NH2+]Cc2ccccc2N2CCOCC2)c2ccccc2)cc1 ZINC000066969921 568072625 /nfs/dbraw/zinc/07/26/25/568072625.db2.gz NCHGDJHQABVTCE-RUZDIDTESA-N 1 0 372.512 4.711 20 0 FJADRO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603410034 568097796 /nfs/dbraw/zinc/09/77/96/568097796.db2.gz XRJLLCJYOZBCNH-MAUKXSAKSA-N 1 0 373.460 4.554 20 0 FJADRO CSCc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1 ZINC000603468854 568102859 /nfs/dbraw/zinc/10/28/59/568102859.db2.gz KACSKRKESLCOJK-UHFFFAOYSA-N 1 0 365.502 4.878 20 0 FJADRO CC(C)[C@@H]1CCC[N@@H+]1Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000063618809 568104955 /nfs/dbraw/zinc/10/49/55/568104955.db2.gz DQPYEMYJBUICDR-KRWDZBQOSA-N 1 0 350.915 4.996 20 0 FJADRO CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1cc[nH+]c2cc(F)ccc21 ZINC000603493680 568107852 /nfs/dbraw/zinc/10/78/52/568107852.db2.gz BLHKNSJVCYIRQW-JTSKRJEESA-N 1 0 350.437 4.978 20 0 FJADRO Fc1ccc2c(NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)cc[nH+]c2c1 ZINC000603493880 568107924 /nfs/dbraw/zinc/10/79/24/568107924.db2.gz MESCRDHBHCXJTF-CYBMUJFWSA-N 1 0 357.379 4.591 20 0 FJADRO Fc1ccc2c(NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)cc[nH+]c2c1 ZINC000603493885 568107954 /nfs/dbraw/zinc/10/79/54/568107954.db2.gz MESCRDHBHCXJTF-ZDUSSCGKSA-N 1 0 357.379 4.591 20 0 FJADRO COc1ccc(OCc2nc(C[NH2+][C@H](C)Cc3ccsc3)cs2)cc1 ZINC000603511870 568110722 /nfs/dbraw/zinc/11/07/22/568110722.db2.gz CKOFAVPDJZNABU-CQSZACIVSA-N 1 0 374.531 4.513 20 0 FJADRO CC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)C(C)(C)C ZINC000603513330 568111109 /nfs/dbraw/zinc/11/11/09/568111109.db2.gz FAUWPRHXKDQACG-QGZVFWFLSA-N 1 0 363.502 4.881 20 0 FJADRO COc1ccc(C[NH2+]CC2CCSCC2)cc1OCc1ccccc1 ZINC000603515171 568111416 /nfs/dbraw/zinc/11/14/16/568111416.db2.gz XHSXPJZJGBZOIR-UHFFFAOYSA-N 1 0 357.519 4.507 20 0 FJADRO O=C(CC[NH2+]Cc1c(Cl)ccc(Cl)c1Cl)Nc1ccccc1 ZINC000603516779 568111783 /nfs/dbraw/zinc/11/17/83/568111783.db2.gz IWSYLQMFQFJSGF-UHFFFAOYSA-N 1 0 357.668 4.765 20 0 FJADRO c1nc2cc(C[NH2+][C@@H]3CCOc4c(-c5ccccc5)cccc43)ccc2[nH]1 ZINC000603518670 568112119 /nfs/dbraw/zinc/11/21/19/568112119.db2.gz IMIASXAGJJGQGK-HXUWFJFHSA-N 1 0 355.441 4.843 20 0 FJADRO c1ccc(-c2cccc(C[NH2+]Cc3ccnc(OC4CCOCC4)c3)c2)cc1 ZINC000603518580 568112155 /nfs/dbraw/zinc/11/21/55/568112155.db2.gz UQOMSNLKUPZEGO-UHFFFAOYSA-N 1 0 374.484 4.596 20 0 FJADRO COc1ccc(-c2cc(C[N@H+](C)CCc3ccc(Cl)cc3)on2)cc1 ZINC000603498321 568112370 /nfs/dbraw/zinc/11/23/70/568112370.db2.gz SFGBZZWFHLFDAF-UHFFFAOYSA-N 1 0 356.853 4.678 20 0 FJADRO O=C(Nc1cccc(Sc2ccccc2)c1)N1CC[NH+](C2CCC2)CC1 ZINC000603579904 568121973 /nfs/dbraw/zinc/12/19/73/568121973.db2.gz CMOSTKLIXUFWNQ-UHFFFAOYSA-N 1 0 367.518 4.540 20 0 FJADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc3sccc3s2)C1 ZINC000603686258 568135533 /nfs/dbraw/zinc/13/55/33/568135533.db2.gz QHBFOBXQVZKFIP-GJZGRUSLSA-N 1 0 362.564 4.689 20 0 FJADRO O=C(c1cc(F)ccc1F)C1CC[NH+](CCSc2ccccc2)CC1 ZINC000522778164 568137697 /nfs/dbraw/zinc/13/76/97/568137697.db2.gz DDBMTCYEUIHHJV-UHFFFAOYSA-N 1 0 361.457 4.652 20 0 FJADRO C[C@H]([NH2+]Cc1ccccc1Cl)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000603723781 568142369 /nfs/dbraw/zinc/14/23/69/568142369.db2.gz PGXMXXMGQAYTED-HNNXBMFYSA-N 1 0 365.864 4.838 20 0 FJADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1 ZINC000603755784 568152430 /nfs/dbraw/zinc/15/24/30/568152430.db2.gz YCBGAHFQWKDZBM-QGZVFWFLSA-N 1 0 356.535 4.789 20 0 FJADRO COC(=O)c1c(C[N@H+](C)CC2CC2)nc2ccccc2c1-c1ccccc1 ZINC000603855554 568167847 /nfs/dbraw/zinc/16/78/47/568167847.db2.gz AVRFUZKIMXAHCA-UHFFFAOYSA-N 1 0 360.457 4.530 20 0 FJADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000563109355 568197627 /nfs/dbraw/zinc/19/76/27/568197627.db2.gz YIMOTAHNDRQTCQ-DSKWVYQCSA-N 1 0 352.265 4.883 20 0 FJADRO Cc1ccc(C(=O)NCCCCc2ccccc2)cc1Oc1ccncc1 ZINC000604214644 568227006 /nfs/dbraw/zinc/22/70/06/568227006.db2.gz IMXJOCHUUWYRTN-UHFFFAOYSA-N 1 0 360.457 4.935 20 0 FJADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(C)(C)c2cccs2)cc1 ZINC000604313132 568248694 /nfs/dbraw/zinc/24/86/94/568248694.db2.gz CVWUZXFHCBDWGQ-KRWDZBQOSA-N 1 0 370.562 4.717 20 0 FJADRO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000303137032 568252975 /nfs/dbraw/zinc/25/29/75/568252975.db2.gz CZGKRHMBUBASOV-SJLPKXTDSA-N 1 0 356.897 4.937 20 0 FJADRO COc1ccccc1[C@@H]1CCCN1Cc1nc2ccccc2n1C(F)F ZINC000303217852 568258553 /nfs/dbraw/zinc/25/85/53/568258553.db2.gz UCFMMNJOUPORKA-INIZCTEOSA-N 1 0 357.404 4.777 20 0 FJADRO COc1ccc(-c2nc(CN(C)Cc3ccsc3)cs2)cc1OC ZINC000007806163 568260012 /nfs/dbraw/zinc/26/00/12/568260012.db2.gz NBVCOQNINCYUMM-UHFFFAOYSA-N 1 0 360.504 4.521 20 0 FJADRO O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000303285202 568264336 /nfs/dbraw/zinc/26/43/36/568264336.db2.gz VQWAMZSHIGWAHA-QFIPXVFZSA-N 1 0 366.480 4.693 20 0 FJADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000604346954 568264682 /nfs/dbraw/zinc/26/46/82/568264682.db2.gz GGRKFVFMDNLYSP-LLVKDONJSA-N 1 0 371.333 4.622 20 0 FJADRO Cc1ccc(-c2nc(CC[NH2+]Cc3cccc(Br)c3)co2)cc1 ZINC000303304149 568265719 /nfs/dbraw/zinc/26/57/19/568265719.db2.gz QPHSPMHISWVXRV-UHFFFAOYSA-N 1 0 371.278 4.745 20 0 FJADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(C)(C)c3cccs3)cc2)C1 ZINC000303634230 568268294 /nfs/dbraw/zinc/26/82/94/568268294.db2.gz PGKFKSGRTWXLGO-KRWDZBQOSA-N 1 0 370.562 4.574 20 0 FJADRO Cc1ccc([C@H](CNC(=O)CCCCCc2cccs2)[NH+]2CCCC2)o1 ZINC000518796596 568274524 /nfs/dbraw/zinc/27/45/24/568274524.db2.gz ODFXTHHEDQDRNZ-IBGZPJMESA-N 1 0 374.550 4.706 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)o1 ZINC000604415816 568281170 /nfs/dbraw/zinc/28/11/70/568281170.db2.gz XHEJCNVZXJLJMC-UHFFFAOYSA-N 1 0 367.420 4.845 20 0 FJADRO C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000604391480 568282448 /nfs/dbraw/zinc/28/24/48/568282448.db2.gz OFFIMGSKBWVSLI-SFHVURJKSA-N 1 0 364.533 4.564 20 0 FJADRO O=C(c1ccccc1Oc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150850489 568283502 /nfs/dbraw/zinc/28/35/02/568283502.db2.gz CCPQZYXCYJWZTE-IBGZPJMESA-N 1 0 364.489 4.569 20 0 FJADRO CCc1cccc(CC)c1NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000604394098 568284055 /nfs/dbraw/zinc/28/40/55/568284055.db2.gz AQNQTKMWEJOQKV-UWJYYQICSA-N 1 0 350.506 4.628 20 0 FJADRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1noc(Cc2ccccc2)n1 ZINC000525796758 568286076 /nfs/dbraw/zinc/28/60/76/568286076.db2.gz HUYRGWMFLAADSS-RTWAWAEBSA-N 1 0 361.489 4.819 20 0 FJADRO CCc1ccc(CC[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 ZINC000604383737 568287530 /nfs/dbraw/zinc/28/75/30/568287530.db2.gz HFJKCWDNGQSCTH-HUUCEWRRSA-N 1 0 353.350 4.854 20 0 FJADRO Brc1cccc2c1CC[C@@H]2NCc1ccn(C2CCCC2)n1 ZINC000152006898 568288147 /nfs/dbraw/zinc/28/81/47/568288147.db2.gz WKEFNJQBXVUMOK-SFHVURJKSA-N 1 0 360.299 4.538 20 0 FJADRO CSCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1C ZINC000604478461 568299988 /nfs/dbraw/zinc/29/99/88/568299988.db2.gz BRIZYJVONXAERO-UHFFFAOYSA-N 1 0 351.519 4.609 20 0 FJADRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)ccc1Oc1cccnc1 ZINC000563151618 568303526 /nfs/dbraw/zinc/30/35/26/568303526.db2.gz YYHRBZDSRYXXNG-TZIWHRDSSA-N 1 0 352.478 4.573 20 0 FJADRO C[NH+](C)Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F ZINC000604608978 568326544 /nfs/dbraw/zinc/32/65/44/568326544.db2.gz ITWSRFXVVKXKOZ-UHFFFAOYSA-N 1 0 370.255 4.516 20 0 FJADRO CC(C)Cc1ccc([C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000604634216 568333129 /nfs/dbraw/zinc/33/31/29/568333129.db2.gz JEQZTQYSDDLRPU-IFMALSPDSA-N 1 0 373.585 4.565 20 0 FJADRO CC[NH+](CC)CC1CCN(C(=O)N[C@H](CCC(C)C)C(C)(C)C)CC1 ZINC000604664410 568342321 /nfs/dbraw/zinc/34/23/21/568342321.db2.gz DAMNGSAMZKSXDK-LJQANCHMSA-N 1 0 353.595 4.601 20 0 FJADRO Cc1cccc2sc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(Cl)c21 ZINC000604726835 568353402 /nfs/dbraw/zinc/35/34/02/568353402.db2.gz UPNXUMHCRMUFNU-AWEZNQCLSA-N 1 0 366.958 4.959 20 0 FJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3)[nH]2)CC1 ZINC000604712518 568355002 /nfs/dbraw/zinc/35/50/02/568355002.db2.gz CXYLIYZJANVJKV-GOSISDBHSA-N 1 0 373.500 4.637 20 0 FJADRO C[NH+](C)CC[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(C)(C)C ZINC000604727097 568355146 /nfs/dbraw/zinc/35/51/46/568355146.db2.gz YTHHCNPINYISSY-AWEZNQCLSA-N 1 0 370.921 4.790 20 0 FJADRO CC[C@H](CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000604713766 568355170 /nfs/dbraw/zinc/35/51/70/568355170.db2.gz HUYZMIHTGCTXDY-VQTJNVASSA-N 1 0 364.533 4.912 20 0 FJADRO Cc1ccccc1[C@H](C)CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604744074 568360014 /nfs/dbraw/zinc/36/00/14/568360014.db2.gz SZCLKQSFHCSIAU-HXUWFJFHSA-N 1 0 356.554 4.603 20 0 FJADRO Cc1ccccc1-c1cccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000604766666 568362094 /nfs/dbraw/zinc/36/20/94/568362094.db2.gz NCOYPFQMIPIYHJ-QFIPXVFZSA-N 1 0 370.496 4.837 20 0 FJADRO OC[C@H]([NH2+]Cc1cccc(OCC2CCCCC2)c1)c1cccc(F)c1 ZINC000604768732 568362624 /nfs/dbraw/zinc/36/26/24/568362624.db2.gz MRUDVYQKAPSODQ-QFIPXVFZSA-N 1 0 357.469 4.608 20 0 FJADRO C[C@H](c1ccccc1)N1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000604769912 568362787 /nfs/dbraw/zinc/36/27/87/568362787.db2.gz LEUDTTUHXHXZNH-MRXNPFEDSA-N 1 0 373.338 4.764 20 0 FJADRO C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000604769911 568362803 /nfs/dbraw/zinc/36/28/03/568362803.db2.gz LEUDTTUHXHXZNH-INIZCTEOSA-N 1 0 373.338 4.764 20 0 FJADRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC000604772884 568363585 /nfs/dbraw/zinc/36/35/85/568363585.db2.gz UYCRTXMASBVEMV-FCHUYYIVSA-N 1 0 350.506 4.527 20 0 FJADRO CC(C)C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccs1 ZINC000604787745 568366890 /nfs/dbraw/zinc/36/68/90/568366890.db2.gz FGHQHRVVCIOWHX-DOTOQJQBSA-N 1 0 353.576 4.501 20 0 FJADRO Cc1nc(-c2ccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc2)cs1 ZINC000604794812 568368079 /nfs/dbraw/zinc/36/80/79/568368079.db2.gz YKJJCVINGTWTHT-SFHVURJKSA-N 1 0 374.554 4.606 20 0 FJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000604799665 568370489 /nfs/dbraw/zinc/37/04/89/568370489.db2.gz ZRIXMFNGBJGCDJ-HNNXBMFYSA-N 1 0 373.447 4.971 20 0 FJADRO CC[C@@H](C)[C@H](C(=O)NCc1cccc(C[N@H+](C)CC)c1)c1ccccc1 ZINC000604864099 568379830 /nfs/dbraw/zinc/37/98/30/568379830.db2.gz YLKFZDIBBYTVEV-GCJKJVERSA-N 1 0 352.522 4.584 20 0 FJADRO Fc1ccc2c(N[C@@H]3CCN(c4ccccc4OC(F)F)C3)cc[nH+]c2c1 ZINC000604883678 568384311 /nfs/dbraw/zinc/38/43/11/568384311.db2.gz ICSUWDSGQGXQQL-CQSZACIVSA-N 1 0 373.378 4.666 20 0 FJADRO Fc1ccc(CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1 ZINC000604903318 568385491 /nfs/dbraw/zinc/38/54/91/568385491.db2.gz HIJUOGHLFWPEMA-UHFFFAOYSA-N 1 0 371.843 4.736 20 0 FJADRO Fc1ccc(CC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C2CC2)cc1 ZINC000604903183 568385506 /nfs/dbraw/zinc/38/55/06/568385506.db2.gz UFDKWKSQFZVMDM-UHFFFAOYSA-N 1 0 371.843 4.736 20 0 FJADRO COc1ccc(-c2nc(C[N@H+](CCc3ccc(F)cc3)C3CC3)co2)cc1 ZINC000604903488 568385588 /nfs/dbraw/zinc/38/55/88/568385588.db2.gz UPCYMVWIKAGIQZ-UHFFFAOYSA-N 1 0 366.436 4.696 20 0 FJADRO CC[C@@H](C)N(Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000604914256 568388675 /nfs/dbraw/zinc/38/86/75/568388675.db2.gz ZJBDXOACQXWNAV-UXHICEINSA-N 1 0 359.558 4.651 20 0 FJADRO C[C@@H](c1cccs1)[N@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000032937820 568428896 /nfs/dbraw/zinc/42/88/96/568428896.db2.gz MVWIZCFYQZCFCT-MQJDWESPSA-N 1 0 362.347 4.856 20 0 FJADRO Cc1c2ccc3ccccc3c2oc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000010812570 568433985 /nfs/dbraw/zinc/43/39/85/568433985.db2.gz LZJZKCUKAHTNEZ-UHFFFAOYSA-N 1 0 364.489 4.933 20 0 FJADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000011046333 568483091 /nfs/dbraw/zinc/48/30/91/568483091.db2.gz NSUSJPWOMWMAFH-IBGZPJMESA-N 1 0 358.485 4.744 20 0 FJADRO Fc1cccc2c1SCC[C@H]2[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000433094676 568504737 /nfs/dbraw/zinc/50/47/37/568504737.db2.gz AJIZSWRURHRFCE-OXQOHEQNSA-N 1 0 356.510 4.869 20 0 FJADRO CCOC[C@H]1CCC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000604998605 568511984 /nfs/dbraw/zinc/51/19/84/568511984.db2.gz HTCNBRQJZNWOTP-SVEBXFOSSA-N 1 0 352.316 4.601 20 0 FJADRO Cc1cc([C@@H]2CCC[N@@H+]2CC/C=C\c2ccc(Br)cc2)on1 ZINC000604997225 568507857 /nfs/dbraw/zinc/50/78/57/568507857.db2.gz BCZLTYJFYSFWDJ-NCSHICFUSA-N 1 0 361.283 4.986 20 0 FJADRO Cc1cc([C@H]2CCC[N@@H+]2CC/C=C/c2ccc(Br)cc2)on1 ZINC000604997228 568507896 /nfs/dbraw/zinc/50/78/96/568507896.db2.gz BCZLTYJFYSFWDJ-WAUBUAMCSA-N 1 0 361.283 4.986 20 0 FJADRO Fc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000433094673 568510077 /nfs/dbraw/zinc/51/00/77/568510077.db2.gz AJIZSWRURHRFCE-JXFKEZNVSA-N 1 0 356.510 4.869 20 0 FJADRO CC[C@H]1CCC[N@H+](Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)CC1 ZINC000604998766 568512282 /nfs/dbraw/zinc/51/22/82/568512282.db2.gz ACDXRIFLWQGWRW-INIZCTEOSA-N 1 0 366.465 4.712 20 0 FJADRO CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2nc(C)cs2)cc1 ZINC000605008476 568515812 /nfs/dbraw/zinc/51/58/12/568515812.db2.gz XCXCYJOKKZILMJ-MOPGFXCFSA-N 1 0 360.523 4.720 20 0 FJADRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(C)cs2)cc1 ZINC000605008479 568515979 /nfs/dbraw/zinc/51/59/79/568515979.db2.gz XCXCYJOKKZILMJ-RTBURBONSA-N 1 0 360.523 4.720 20 0 FJADRO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCCC[C@H]2C(C)C)o1 ZINC000605026526 568531456 /nfs/dbraw/zinc/53/14/56/568531456.db2.gz ZQPSIBBEMXLARA-KRWDZBQOSA-N 1 0 366.465 4.711 20 0 FJADRO C[C@H](C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1)c1ccncc1 ZINC000643290352 568555455 /nfs/dbraw/zinc/55/54/55/568555455.db2.gz WGOWOXMKMSGTGO-GOSISDBHSA-N 1 0 360.505 4.954 20 0 FJADRO CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605102425 568566102 /nfs/dbraw/zinc/56/61/02/568566102.db2.gz HAXHSOVJFLBYOC-DOTOQJQBSA-N 1 0 370.459 4.641 20 0 FJADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2nc3ccsc3s2)cc1 ZINC000605145755 568584476 /nfs/dbraw/zinc/58/44/76/568584476.db2.gz ISFZZNMHTXANAD-UHFFFAOYSA-N 1 0 359.520 4.842 20 0 FJADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)c1ccsc1)c1ccccc1Cl ZINC000606162288 568681055 /nfs/dbraw/zinc/68/10/55/568681055.db2.gz XNUBMBPCELZBLG-KBXCAEBGSA-N 1 0 364.942 4.704 20 0 FJADRO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1cccs1 ZINC000606163089 568681452 /nfs/dbraw/zinc/68/14/52/568681452.db2.gz WLZVXBICTRTZEP-JKSUJKDBSA-N 1 0 362.564 4.503 20 0 FJADRO C[C@@H](Cc1ccccc1F)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000606174654 568690520 /nfs/dbraw/zinc/69/05/20/568690520.db2.gz YHRKQFLUSCIBSB-KRWDZBQOSA-N 1 0 354.469 4.629 20 0 FJADRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000606177147 568692413 /nfs/dbraw/zinc/69/24/13/568692413.db2.gz LCJFFTVMYJMRCK-IAGOWNOFSA-N 1 0 356.535 4.542 20 0 FJADRO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000606177144 568692453 /nfs/dbraw/zinc/69/24/53/568692453.db2.gz LCJFFTVMYJMRCK-DLBZAZTESA-N 1 0 356.535 4.542 20 0 FJADRO O=C(NCCCCC[NH+]1CCCCC1)C1(c2cccs2)CCCCC1 ZINC000606197554 568716807 /nfs/dbraw/zinc/71/68/07/568716807.db2.gz AWUBXCXRJIIEDO-UHFFFAOYSA-N 1 0 362.583 4.722 20 0 FJADRO C[NH+](C)CC1CCN(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 ZINC001165042907 721944125 /nfs/dbraw/zinc/94/41/25/721944125.db2.gz XPSYSUGIEUHQHA-UHFFFAOYSA-N 1 0 372.516 4.589 20 0 FJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC[C@@H]2c2cccnc2)nc1 ZINC001165048183 721964033 /nfs/dbraw/zinc/96/40/33/721964033.db2.gz XKZVTSNCDATATC-LEWJYISDSA-N 1 0 350.510 4.755 20 0 FJADRO Clc1cccc(-c2cccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)n2)n1 ZINC001165049452 721970662 /nfs/dbraw/zinc/97/06/62/721970662.db2.gz TUCQURMYAWWZRJ-QGZVFWFLSA-N 1 0 370.928 4.642 20 0 FJADRO Clc1ncc(-c2ccccc2)c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165049349 721971203 /nfs/dbraw/zinc/97/12/03/721971203.db2.gz RJBFUCQVJLZODK-SFHVURJKSA-N 1 0 370.928 4.642 20 0 FJADRO Cc1nc2c3ccccc3oc2c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165049045 721972873 /nfs/dbraw/zinc/97/28/73/721972873.db2.gz LUFKFCFBRVKHAE-QGZVFWFLSA-N 1 0 364.493 4.529 20 0 FJADRO CC[NH+](CC)C1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC001165053508 722002590 /nfs/dbraw/zinc/00/25/90/722002590.db2.gz ODQWUGLNLFAWBZ-UHFFFAOYSA-N 1 0 360.505 4.607 20 0 FJADRO Cc1cc2c(ccnc2N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)o1 ZINC001164994082 722210277 /nfs/dbraw/zinc/21/02/77/722210277.db2.gz FJNGVTDZVOKBFU-QFIPXVFZSA-N 1 0 365.452 4.520 20 0 FJADRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cc2ccccc2s1 ZINC000109350761 209304077 /nfs/dbraw/zinc/30/40/77/209304077.db2.gz ATKXOGILSZOWRV-UHFFFAOYSA-N 1 0 356.535 4.676 20 0 FJADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1sccc1-c1ccccc1 ZINC000109372695 209303498 /nfs/dbraw/zinc/30/34/98/209303498.db2.gz WXVDCXDNOATPFJ-UHFFFAOYSA-N 1 0 368.546 4.800 20 0 FJADRO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000108982518 209295270 /nfs/dbraw/zinc/29/52/70/209295270.db2.gz AIJYYLDEZGSBFM-JOCHJYFZSA-N 1 0 374.484 4.932 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000107942572 209281837 /nfs/dbraw/zinc/28/18/37/209281837.db2.gz JJENKOWUVOFINZ-GOSISDBHSA-N 1 0 364.411 4.562 20 0 FJADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)C1 ZINC000107592182 209277566 /nfs/dbraw/zinc/27/75/66/209277566.db2.gz GBCUEWYRGUQDSY-CQSZACIVSA-N 1 0 360.860 4.963 20 0 FJADRO Brc1ccc(C[NH2+]Cc2ccc(Br)cc2)s1 ZINC000037982967 208197063 /nfs/dbraw/zinc/19/70/63/208197063.db2.gz GFWKHQDJUZINGA-UHFFFAOYSA-N 1 0 361.102 4.563 20 0 FJADRO Cc1cccc(C2(C(=O)Nc3ccc(CC[NH+](C)C)cc3)CCCC2)c1 ZINC000078464433 208926038 /nfs/dbraw/zinc/92/60/38/208926038.db2.gz RGWYNEOPCPCGFT-UHFFFAOYSA-N 1 0 350.506 4.550 20 0 FJADRO c1ccc2c(c1)COC21CC[NH+](Cc2ccccc2-c2cccnc2)CC1 ZINC000040380722 220901705 /nfs/dbraw/zinc/90/17/05/220901705.db2.gz QACCJIIUHKLTNI-UHFFFAOYSA-N 1 0 356.469 4.770 20 0 FJADRO Cc1sc2ncnc(NCc3ccccc3C[N@@H+](C)C(C)C)c2c1C ZINC000071954784 221390359 /nfs/dbraw/zinc/39/03/59/221390359.db2.gz JTGQASSYGLLNMS-UHFFFAOYSA-N 1 0 354.523 4.760 20 0 FJADRO CC[NH+](CC)[C@H](CNCc1nc(C)cs1)c1ccc(C(F)(F)F)cc1 ZINC000236898939 567854074 /nfs/dbraw/zinc/85/40/74/567854074.db2.gz CPPROGGQJSAAQE-MRXNPFEDSA-N 1 0 371.472 4.643 20 0 FJADRO c1cc2ncnc(NCc3cccc(C[NH+]4CCCCCC4)c3)c2s1 ZINC000060862866 567855637 /nfs/dbraw/zinc/85/56/37/567855637.db2.gz SENBYOIRQREDAC-UHFFFAOYSA-N 1 0 352.507 4.679 20 0 FJADRO c1[nH]nc(-c2ccccc2)c1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000061044347 567860048 /nfs/dbraw/zinc/86/00/48/567860048.db2.gz XVWXWHSNDPNROG-UHFFFAOYSA-N 1 0 369.468 4.946 20 0 FJADRO Cc1c2ccccc2oc1[C@@H](NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)C(C)C ZINC000601904142 567870963 /nfs/dbraw/zinc/87/09/63/567870963.db2.gz ISNVCAMAWJDYGR-PXNSSMCTSA-N 1 0 371.525 4.610 20 0 FJADRO Cc1c2ccccc2oc1[C@H](NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)C(C)C ZINC000601904145 567870976 /nfs/dbraw/zinc/87/09/76/567870976.db2.gz ISNVCAMAWJDYGR-YLJYHZDGSA-N 1 0 371.525 4.610 20 0 FJADRO C[NH+]1CCC(N(C(=O)c2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 ZINC000601961600 567887597 /nfs/dbraw/zinc/88/75/97/567887597.db2.gz FKBMMDZKVZDPNH-UHFFFAOYSA-N 1 0 363.288 4.734 20 0 FJADRO CC[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000601947431 567892106 /nfs/dbraw/zinc/89/21/06/567892106.db2.gz YEWWQWJMUIWVRN-NRFANRHFSA-N 1 0 364.533 4.558 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H](c2ccccc2C)C(C)C)o1 ZINC000602028627 567904559 /nfs/dbraw/zinc/90/45/59/567904559.db2.gz HQYRSLDRZMOMJH-NRFANRHFSA-N 1 0 356.510 4.899 20 0 FJADRO Cc1cccc(C)c1OCCN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618498219 567914364 /nfs/dbraw/zinc/91/43/64/567914364.db2.gz SGEUPBBNXFPYDO-OKILXGFUSA-N 1 0 369.349 4.745 20 0 FJADRO C[C@H](CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C(=O)c1ccccc1 ZINC000602089295 567922302 /nfs/dbraw/zinc/92/23/02/567922302.db2.gz COQSMRMILUNLFI-GOSISDBHSA-N 1 0 364.489 4.520 20 0 FJADRO FC(F)(F)Oc1cccc(C[NH2+]Cc2sccc2Br)c1 ZINC000222065917 567936695 /nfs/dbraw/zinc/93/66/95/567936695.db2.gz XHXNNCYFBMYAMY-UHFFFAOYSA-N 1 0 366.202 4.699 20 0 FJADRO CCCC[N@H+](C)CCNC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000602176764 567942020 /nfs/dbraw/zinc/94/20/20/567942020.db2.gz IXMCCDQQOSVFAB-UHFFFAOYSA-N 1 0 359.322 4.670 20 0 FJADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(OC(F)(F)F)cc1 ZINC000602550727 567990692 /nfs/dbraw/zinc/99/06/92/567990692.db2.gz LXIDJZONDRNWID-OLZOCXBDSA-N 1 0 367.367 4.768 20 0 FJADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000602550744 567990731 /nfs/dbraw/zinc/99/07/31/567990731.db2.gz YLFBHSGJHRFAPV-LLVKDONJSA-N 1 0 355.240 4.730 20 0 FJADRO C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1cccc(C(F)(F)F)c1 ZINC000521424420 567994977 /nfs/dbraw/zinc/99/49/77/567994977.db2.gz ARANQXHHJDLEMM-UHFFFAOYSA-N 1 0 370.802 4.819 20 0 FJADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1Br ZINC000602567259 567995757 /nfs/dbraw/zinc/99/57/57/567995757.db2.gz MAURYOOQPMOLBY-QWHCGFSZSA-N 1 0 373.294 4.746 20 0 FJADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](c3ccc(C)cc3)C3CCC3)cn2)n1 ZINC000187022135 568001954 /nfs/dbraw/zinc/00/19/54/568001954.db2.gz NNQNARYVTBXNCQ-QHCPKHFHSA-N 1 0 360.505 4.824 20 0 FJADRO c1ccc(C[N@H+]2CCC[C@H](SCc3nnc(-c4ccccc4)o3)C2)cc1 ZINC000521435105 568003920 /nfs/dbraw/zinc/00/39/20/568003920.db2.gz OVRWQNQJNJZQKR-IBGZPJMESA-N 1 0 365.502 4.634 20 0 FJADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CO[C@@H]3CCC[C@H](C)C3)c2C1 ZINC000602681866 568010270 /nfs/dbraw/zinc/01/02/70/568010270.db2.gz TXUFHDBIWNMTKW-PKOBYXMFSA-N 1 0 358.526 4.582 20 0 FJADRO Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H](C)c1ccc(-n3cncn3)cc1)CCS2 ZINC000186936989 568017642 /nfs/dbraw/zinc/01/76/42/568017642.db2.gz GKAYOEAVJHHQPE-JXFKEZNVSA-N 1 0 364.518 4.772 20 0 FJADRO COc1ccc(Cl)c(NC(=O)c2cccc(Oc3ccncc3)c2)c1 ZINC000602754272 568031006 /nfs/dbraw/zinc/03/10/06/568031006.db2.gz HFNLVVFZXFASIW-UHFFFAOYSA-N 1 0 354.793 4.788 20 0 FJADRO CC(F)(F)c1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000186981430 568034798 /nfs/dbraw/zinc/03/47/98/568034798.db2.gz RZHBVOWOZNUMQM-UHFFFAOYSA-N 1 0 373.447 4.538 20 0 FJADRO CN1CCC[C@H](C[NH2+]Cc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522756757 568049695 /nfs/dbraw/zinc/04/96/95/568049695.db2.gz FLJVRHNCOHZDCP-QUCCMNQESA-N 1 0 362.439 4.878 20 0 FJADRO Cc1ccc([C@@H](C)C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000151999106 568066385 /nfs/dbraw/zinc/06/63/85/568066385.db2.gz GGLLPTFLPAMZNU-KRWDZBQOSA-N 1 0 370.924 4.646 20 0 FJADRO C[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C1CC[NH+](C)CC1 ZINC000603326538 568088299 /nfs/dbraw/zinc/08/82/99/568088299.db2.gz XCQIXTXOFDNZRH-HNNXBMFYSA-N 1 0 372.896 4.592 20 0 FJADRO CC(C)Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000603452194 568099583 /nfs/dbraw/zinc/09/95/83/568099583.db2.gz WSRBHPYNKBEQBS-UHFFFAOYSA-N 1 0 364.533 4.622 20 0 FJADRO Clc1cnc2oc(CNc3cccc(C[NH+]4CCSCC4)c3)cc2c1 ZINC000648395402 568100741 /nfs/dbraw/zinc/10/07/41/568100741.db2.gz XGQMLRYPBBYALJ-UHFFFAOYSA-N 1 0 373.909 4.642 20 0 FJADRO C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430780134 568104673 /nfs/dbraw/zinc/10/46/73/568104673.db2.gz JJZATIIJGSSZNC-DNVFCKCGSA-N 1 0 351.490 4.512 20 0 FJADRO Cc1ccc(OCc2nc(C[NH2+][C@@H](C)CCc3ccco3)cs2)cc1 ZINC000603509961 568110381 /nfs/dbraw/zinc/11/03/81/568110381.db2.gz PPOFYWGOFBYAOY-INIZCTEOSA-N 1 0 356.491 4.734 20 0 FJADRO CC[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000121748185 568110461 /nfs/dbraw/zinc/11/04/61/568110461.db2.gz KIWHZSOCEVSBSO-ACJLOTCBSA-N 1 0 351.899 4.545 20 0 FJADRO Brc1cccc(CCC[NH2+]Cc2csc(C3CC3)n2)c1 ZINC000603513933 568111281 /nfs/dbraw/zinc/11/12/81/568111281.db2.gz NIDNWLPSPPYQEH-UHFFFAOYSA-N 1 0 351.313 4.505 20 0 FJADRO COc1ccc2[nH]cc(CC[NH2+]Cc3cnc(-c4ccccc4)s3)c2c1 ZINC000603515582 568111483 /nfs/dbraw/zinc/11/14/83/568111483.db2.gz FLJSEJQVYKTSRO-UHFFFAOYSA-N 1 0 363.486 4.632 20 0 FJADRO CCCCCOc1cc(C[NH2+]C[C@H]2OCCc3ccccc32)ccc1OC ZINC000603515887 568111551 /nfs/dbraw/zinc/11/15/51/568111551.db2.gz LXXITXWINHZNRE-HSZRJFAPSA-N 1 0 369.505 4.668 20 0 FJADRO CCCCOc1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)cc1OCC ZINC000603516223 568111635 /nfs/dbraw/zinc/11/16/35/568111635.db2.gz PIBBMKKETXCDNB-QHCPKHFHSA-N 1 0 369.505 4.668 20 0 FJADRO FC(F)(F)c1cc(C[NH2+]C[C@@H]2OCCc3ccccc32)ccc1Cl ZINC000603516499 568111690 /nfs/dbraw/zinc/11/16/90/568111690.db2.gz WQAVWWZEWQIZBN-KRWDZBQOSA-N 1 0 355.787 4.762 20 0 FJADRO FC(F)(F)c1cc(C[NH2+]C[C@H]2OCCc3ccccc32)ccc1Cl ZINC000603516500 568111710 /nfs/dbraw/zinc/11/17/10/568111710.db2.gz WQAVWWZEWQIZBN-QGZVFWFLSA-N 1 0 355.787 4.762 20 0 FJADRO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)cc1)c1ccc(NC(N)=O)cc1 ZINC000603516718 568111718 /nfs/dbraw/zinc/11/17/18/568111718.db2.gz DRAAQXNURSFQFC-KRWDZBQOSA-N 1 0 374.488 4.796 20 0 FJADRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)ccc1OCc1c(C)noc1C ZINC000603516755 568111721 /nfs/dbraw/zinc/11/17/21/568111721.db2.gz ZFLXQYQUVXQQAZ-STXHMFSFSA-N 1 0 372.509 4.793 20 0 FJADRO C[C@H](NC(=O)Nc1cccc(C(C)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187033128 568126035 /nfs/dbraw/zinc/12/60/35/568126035.db2.gz KHSPRHPXDYYQOE-GJZGRUSLSA-N 1 0 365.468 4.573 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc3sccc3s2)C1 ZINC000603686172 568135494 /nfs/dbraw/zinc/13/54/94/568135494.db2.gz QHBFOBXQVZKFIP-CABCVRRESA-N 1 0 362.564 4.689 20 0 FJADRO Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000603686112 568135505 /nfs/dbraw/zinc/13/55/05/568135505.db2.gz DGTIHBMUZQKZSN-RDJZCZTQSA-N 1 0 372.484 4.607 20 0 FJADRO CC(C)Cc1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000603689599 568135938 /nfs/dbraw/zinc/13/59/38/568135938.db2.gz DDEDVNSDLGVQFZ-FPOVZHCZSA-N 1 0 356.554 4.612 20 0 FJADRO CC(C)Cc1ccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000603689601 568135962 /nfs/dbraw/zinc/13/59/62/568135962.db2.gz DDEDVNSDLGVQFZ-TZIWHRDSSA-N 1 0 356.554 4.612 20 0 FJADRO CCOC(=O)CCCCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000522776890 568135998 /nfs/dbraw/zinc/13/59/98/568135998.db2.gz DWMMFKQKSBTTCS-UHFFFAOYSA-N 1 0 360.523 4.599 20 0 FJADRO CCC(CC)[N@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CC1 ZINC000603933002 568183539 /nfs/dbraw/zinc/18/35/39/568183539.db2.gz IRUUSSKESIHACI-UHFFFAOYSA-N 1 0 370.316 4.714 20 0 FJADRO Cn1cc(C[NH2+]Cc2coc3ccccc23)c(-c2cc3ccccc3o2)n1 ZINC000603949632 568186966 /nfs/dbraw/zinc/18/69/66/568186966.db2.gz YNRLVKDQSXYWJK-UHFFFAOYSA-N 1 0 357.413 4.869 20 0 FJADRO Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028162706 568197263 /nfs/dbraw/zinc/19/72/63/568197263.db2.gz IGGHHVRHJCIPLC-MRXNPFEDSA-N 1 0 372.896 4.650 20 0 FJADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000563109356 568197657 /nfs/dbraw/zinc/19/76/57/568197657.db2.gz YIMOTAHNDRQTCQ-FCIGDQIPSA-N 1 0 352.265 4.883 20 0 FJADRO COc1ccccc1C[C@@H](C)[N@H+](CCc1cccnc1)Cc1ccccc1 ZINC000604045012 568203722 /nfs/dbraw/zinc/20/37/22/568203722.db2.gz CBLMROPYPYGWSE-HXUWFJFHSA-N 1 0 360.501 4.766 20 0 FJADRO COc1cc(CC[NH2+]Cc2ccc(-c3ccccc3F)s2)ccc1O ZINC000604069620 568206089 /nfs/dbraw/zinc/20/60/89/568206089.db2.gz NZEOCDBTBQXPHQ-UHFFFAOYSA-N 1 0 357.450 4.601 20 0 FJADRO CC(C)(C[NH2+]Cc1ccccc1OCc1ccncc1)Oc1ccccc1 ZINC000604081048 568208887 /nfs/dbraw/zinc/20/88/87/568208887.db2.gz SEMVYEXGDDLQRR-UHFFFAOYSA-N 1 0 362.473 4.608 20 0 FJADRO CC(=O)N(c1nc(C[NH2+][C@H]2CCC[C@H](F)C2)cs1)c1ccc(C)cc1 ZINC000563121718 568222688 /nfs/dbraw/zinc/22/26/88/568222688.db2.gz CQMISOYZIAHJKJ-HOTGVXAUSA-N 1 0 361.486 4.506 20 0 FJADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000122277694 568225018 /nfs/dbraw/zinc/22/50/18/568225018.db2.gz DSWMTJSPAIOACK-OLZOCXBDSA-N 1 0 371.424 4.521 20 0 FJADRO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000122277548 568225031 /nfs/dbraw/zinc/22/50/31/568225031.db2.gz DSWMTJSPAIOACK-STQMWFEESA-N 1 0 371.424 4.521 20 0 FJADRO Cc1cc(CNC(=O)c2ccc(C)c(Oc3ccncc3)c2)ccc1F ZINC000604214657 568227004 /nfs/dbraw/zinc/22/70/04/568227004.db2.gz KDKQDVHRWORJKU-UHFFFAOYSA-N 1 0 350.393 4.560 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](c2ccccc2Cl)C(C)C)o1 ZINC000604234389 568231724 /nfs/dbraw/zinc/23/17/24/568231724.db2.gz PWNTWFZBHJMWDW-LJQANCHMSA-N 1 0 362.901 4.902 20 0 FJADRO CC1CC[NH+]([C@H](CNC(=O)C(C)(C)c2cccs2)c2ccccc2)CC1 ZINC000604317940 568246428 /nfs/dbraw/zinc/24/64/28/568246428.db2.gz RXCARMNEZNCVIS-LJQANCHMSA-N 1 0 370.562 4.615 20 0 FJADRO CC[NH+](CC)CC1CCN(C(=O)[C@@H](CC2CCCCC2)C(C)C)CC1 ZINC000604320886 568246898 /nfs/dbraw/zinc/24/68/98/568246898.db2.gz FOMMTNJVOCTNQV-NRFANRHFSA-N 1 0 350.591 4.809 20 0 FJADRO C[C@H](CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccnc1 ZINC000604313965 568248974 /nfs/dbraw/zinc/24/89/74/568248974.db2.gz JLPNTPPCDLZBHS-MSOLQXFVSA-N 1 0 351.494 4.588 20 0 FJADRO C[C@@H](CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccnc1 ZINC000604313967 568248991 /nfs/dbraw/zinc/24/89/91/568248991.db2.gz JLPNTPPCDLZBHS-ROUUACIJSA-N 1 0 351.494 4.588 20 0 FJADRO c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000303181680 568256090 /nfs/dbraw/zinc/25/60/90/568256090.db2.gz SYFVLHLDQAYXBS-GOSISDBHSA-N 1 0 364.470 4.876 20 0 FJADRO COc1ccccc1CC1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000303202450 568257325 /nfs/dbraw/zinc/25/73/25/568257325.db2.gz XSSWRTGSDTYTJX-UHFFFAOYSA-N 1 0 368.502 4.866 20 0 FJADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2oc3c(cccc3F)c2C)cc1 ZINC000007828929 568258667 /nfs/dbraw/zinc/25/86/67/568258667.db2.gz RTAFHUAPSNHSTP-UHFFFAOYSA-N 1 0 368.452 4.652 20 0 FJADRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000563130466 568262190 /nfs/dbraw/zinc/26/21/90/568262190.db2.gz OWKJOAOLSNSPQM-NWDGAFQWSA-N 1 0 370.349 4.676 20 0 FJADRO Brc1cc(C[NH2+][C@H](c2ccccc2)C2CCC2)cc2c1OCO2 ZINC000303303514 568265735 /nfs/dbraw/zinc/26/57/35/568265735.db2.gz ZFPBBBUEPYRPNV-GOSISDBHSA-N 1 0 374.278 4.809 20 0 FJADRO Cc1ccc(-c2ncc(C[NH2+]C(C)(C)C(=O)Nc3ccccc3)s2)cc1 ZINC000604416557 568274788 /nfs/dbraw/zinc/27/47/88/568274788.db2.gz GMXBNXNEIDQGFC-UHFFFAOYSA-N 1 0 365.502 4.625 20 0 FJADRO FC(F)(F)c1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Cl)s3)C2)cc1 ZINC000604417432 568275665 /nfs/dbraw/zinc/27/56/65/568275665.db2.gz BLZHIKXEIRWUGU-GFCCVEGCSA-N 1 0 360.832 4.789 20 0 FJADRO Brc1ccccc1SCCCC[NH2+]Cc1nccs1 ZINC000604417829 568275738 /nfs/dbraw/zinc/27/57/38/568275738.db2.gz ZOHJXCDYDSFVBI-UHFFFAOYSA-N 1 0 357.342 4.568 20 0 FJADRO CC(C)C[NH+]1CCC(Nc2ccc3cc(Br)ccc3n2)CC1 ZINC000303777215 568275878 /nfs/dbraw/zinc/27/58/78/568275878.db2.gz GHNOHDUSOKYORB-UHFFFAOYSA-N 1 0 362.315 4.530 20 0 FJADRO C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000303438851 568278089 /nfs/dbraw/zinc/27/80/89/568278089.db2.gz HINUEMOARRGRGH-ROUUACIJSA-N 1 0 362.395 4.509 20 0 FJADRO O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@H](c2ccccc2)CC1 ZINC000303446424 568278910 /nfs/dbraw/zinc/27/89/10/568278910.db2.gz HCOAARGDAXVIPJ-QFIPXVFZSA-N 1 0 371.569 4.622 20 0 FJADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000604393225 568283204 /nfs/dbraw/zinc/28/32/04/568283204.db2.gz WNOUCJWHCDUSJO-RHSMWYFYSA-N 1 0 353.853 4.768 20 0 FJADRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000604394106 568284074 /nfs/dbraw/zinc/28/40/74/568284074.db2.gz AYPGDAOOLAETGN-YOEHRIQHSA-N 1 0 354.400 4.998 20 0 FJADRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000604394118 568284080 /nfs/dbraw/zinc/28/40/80/568284080.db2.gz BNKMUDOWTAIGKO-YOEHRIQHSA-N 1 0 353.853 4.768 20 0 FJADRO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c(C)c1 ZINC000604394473 568284378 /nfs/dbraw/zinc/28/43/78/568284378.db2.gz NTXQEOCGCKDQLJ-ZJOUEHCJSA-N 1 0 350.506 4.817 20 0 FJADRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000604394536 568284637 /nfs/dbraw/zinc/28/46/37/568284637.db2.gz RXSSANHGNKYTGH-RDJZCZTQSA-N 1 0 353.491 4.609 20 0 FJADRO Cc1c2cc(F)ccc2sc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000303536915 568290729 /nfs/dbraw/zinc/29/07/29/568290729.db2.gz SWAMMBBOWNOIDR-UHFFFAOYSA-N 1 0 362.514 4.735 20 0 FJADRO Fc1ccc(-c2cnc(C[N@H+](CCc3cccc(F)c3)C3CC3)o2)cc1 ZINC000303577418 568293169 /nfs/dbraw/zinc/29/31/69/568293169.db2.gz JWBIMIZIZPUKEG-UHFFFAOYSA-N 1 0 354.400 4.827 20 0 FJADRO Cc1ccc(OCc2nc(C[NH2+]CCc3c(F)cccc3F)cs2)cc1 ZINC000303598297 568294177 /nfs/dbraw/zinc/29/41/77/568294177.db2.gz NKCXBCDLYBLFLT-UHFFFAOYSA-N 1 0 374.456 4.641 20 0 FJADRO Brc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000152004165 568295510 /nfs/dbraw/zinc/29/55/10/568295510.db2.gz JKJDWFYCMHOJFK-GUYCJALGSA-N 1 0 350.300 4.518 20 0 FJADRO Brc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000152004090 568295517 /nfs/dbraw/zinc/29/55/17/568295517.db2.gz JKJDWFYCMHOJFK-CXAGYDPISA-N 1 0 350.300 4.518 20 0 FJADRO C[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(Br)cc1 ZINC000094370170 568297276 /nfs/dbraw/zinc/29/72/76/568297276.db2.gz OSCLMTKFZKEXAA-XJKSGUPXSA-N 1 0 370.356 4.545 20 0 FJADRO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc1Oc1cccnc1 ZINC000563151616 568303499 /nfs/dbraw/zinc/30/34/99/568303499.db2.gz YYHRBZDSRYXXNG-FPOVZHCZSA-N 1 0 352.478 4.573 20 0 FJADRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)ccc1Oc1cccnc1 ZINC000563151617 568303502 /nfs/dbraw/zinc/30/35/02/568303502.db2.gz YYHRBZDSRYXXNG-PZJWPPBQSA-N 1 0 352.478 4.573 20 0 FJADRO CC(C)OC(=O)Cc1nc(C[N@H+](C)C2CCC(C(C)(C)C)CC2)cs1 ZINC000604492633 568303570 /nfs/dbraw/zinc/30/35/70/568303570.db2.gz TYTWKHHPBTWCLN-UHFFFAOYSA-N 1 0 366.571 4.674 20 0 FJADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 ZINC000604628825 568330310 /nfs/dbraw/zinc/33/03/10/568330310.db2.gz WOLZHHBTGYWNOG-MSOLQXFVSA-N 1 0 369.509 4.678 20 0 FJADRO C[N@H+](CCCNC(=O)Nc1ccccc1OC(C)(C)C)Cc1ccccc1 ZINC000604630244 568332016 /nfs/dbraw/zinc/33/20/16/568332016.db2.gz WNPNONAZJOPFTJ-UHFFFAOYSA-N 1 0 369.509 4.508 20 0 FJADRO Cc1nc(CNCc2cc3cc(Br)ccc3o2)sc1C ZINC000518796956 568340667 /nfs/dbraw/zinc/34/06/67/568340667.db2.gz GBMPBCYVNSZVSS-UHFFFAOYSA-N 1 0 351.269 4.558 20 0 FJADRO Cc1cccc([C@@H](C)NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1C ZINC000604669484 568344594 /nfs/dbraw/zinc/34/45/94/568344594.db2.gz KRACDNMDFMKLSR-RTWAWAEBSA-N 1 0 371.569 4.662 20 0 FJADRO Cc1cccc([C@@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000604669825 568344715 /nfs/dbraw/zinc/34/47/15/568344715.db2.gz GRIJWTRETVLJRL-NHCUHLMSSA-N 1 0 371.569 4.518 20 0 FJADRO O=C(Nc1cc(Cl)ccc1Cl)N1CCC([NH2+]C2CCCC2)CC1 ZINC000365239200 568347529 /nfs/dbraw/zinc/34/75/29/568347529.db2.gz KFQSJGDNJPEJKD-UHFFFAOYSA-N 1 0 356.297 4.522 20 0 FJADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000604699766 568347559 /nfs/dbraw/zinc/34/75/59/568347559.db2.gz HGHLYFJDXYRKBR-DLBZAZTESA-N 1 0 358.432 4.549 20 0 FJADRO C[NH+](C)CC[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(C)(C)C ZINC000604727098 568355116 /nfs/dbraw/zinc/35/51/16/568355116.db2.gz YTHHCNPINYISSY-CQSZACIVSA-N 1 0 370.921 4.790 20 0 FJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2csc3ccccc23)CC1 ZINC000604714300 568355356 /nfs/dbraw/zinc/35/53/56/568355356.db2.gz VDKBGUUUIBXUAV-INIZCTEOSA-N 1 0 364.514 4.857 20 0 FJADRO Cc1ccc2c(Cl)c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)sc2c1 ZINC000604728006 568357136 /nfs/dbraw/zinc/35/71/36/568357136.db2.gz MOBVPZGYAHYIFM-OAHLLOKOSA-N 1 0 366.958 4.959 20 0 FJADRO Cc1ccccc1[C@@H](C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000604742286 568359819 /nfs/dbraw/zinc/35/98/19/568359819.db2.gz RMMPFYBUMOJEKH-UNMCSNQZSA-N 1 0 364.533 4.517 20 0 FJADRO Clc1cccc(Cl)c1-c1nnc(C[NH+]2CCc3ccccc3CC2)o1 ZINC000604759278 568360284 /nfs/dbraw/zinc/36/02/84/568360284.db2.gz GPQQCRNPFCEVER-UHFFFAOYSA-N 1 0 374.271 4.644 20 0 FJADRO COc1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)cc2c1OCO2 ZINC000604765409 568361852 /nfs/dbraw/zinc/36/18/52/568361852.db2.gz OVKQICJIBCOIDR-UHFFFAOYSA-N 1 0 359.853 4.636 20 0 FJADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCc3ccc(C)cc3)c2)cc1 ZINC000604768721 568362670 /nfs/dbraw/zinc/36/26/70/568362670.db2.gz LRJHFAOVDNIODF-UHFFFAOYSA-N 1 0 374.484 4.588 20 0 FJADRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC000604769522 568362790 /nfs/dbraw/zinc/36/27/90/568362790.db2.gz HWIWJSJIQYFSAY-YADHBBJMSA-N 1 0 350.506 4.527 20 0 FJADRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000604769763 568362830 /nfs/dbraw/zinc/36/28/30/568362830.db2.gz NFWPOFMUMQWMHL-HOTGVXAUSA-N 1 0 374.525 4.727 20 0 FJADRO OC[C@H]([NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000604769997 568362923 /nfs/dbraw/zinc/36/29/23/568362923.db2.gz GUSLBSGWXPWULZ-QHCPKHFHSA-N 1 0 374.459 4.652 20 0 FJADRO Fc1cccc(N2CCC[C@@H]([NH2+]Cc3nc(-c4ccccc4)cs3)C2)c1 ZINC000604772778 568363497 /nfs/dbraw/zinc/36/34/97/568363497.db2.gz XBOLEQNXAILMMN-GOSISDBHSA-N 1 0 367.493 4.708 20 0 FJADRO CN(Cc1c(Cl)cccc1Cl)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604788971 568367143 /nfs/dbraw/zinc/36/71/43/568367143.db2.gz VNUOGRGLNDBLHH-INIZCTEOSA-N 1 0 374.356 4.501 20 0 FJADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1C ZINC000604791548 568367586 /nfs/dbraw/zinc/36/75/86/568367586.db2.gz WZFJJSZLMOWDNA-SFHVURJKSA-N 1 0 351.494 4.651 20 0 FJADRO Cc1cc(Cl)ccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000604792253 568367731 /nfs/dbraw/zinc/36/77/31/568367731.db2.gz SWSWGMDHZHOOQZ-INIZCTEOSA-N 1 0 371.912 4.996 20 0 FJADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 ZINC000604866326 568380285 /nfs/dbraw/zinc/38/02/85/568380285.db2.gz IQGCUBRLFNIEOJ-DENIHFKCSA-N 1 0 358.570 4.787 20 0 FJADRO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)C(=O)N(C)c1ccccc1 ZINC000604891858 568381930 /nfs/dbraw/zinc/38/19/30/568381930.db2.gz CBXYTUDFFHFUMJ-YLJYHZDGSA-N 1 0 364.514 4.673 20 0 FJADRO CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2cccnc2C)cc1 ZINC000604892291 568382098 /nfs/dbraw/zinc/38/20/98/568382098.db2.gz PJSYBMFQYBCXGW-VXKWHMMOSA-N 1 0 354.494 4.659 20 0 FJADRO CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2cccnc2C)cc1 ZINC000604892292 568382103 /nfs/dbraw/zinc/38/21/03/568382103.db2.gz PJSYBMFQYBCXGW-YADHBBJMSA-N 1 0 354.494 4.659 20 0 FJADRO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](Cc1ccccc1)c1cccs1)C(C)C ZINC000604892611 568383149 /nfs/dbraw/zinc/38/31/49/568383149.db2.gz YVHFPCZPGKXZCJ-PKOBYXMFSA-N 1 0 358.551 4.655 20 0 FJADRO CC(C)([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccs1 ZINC000604892713 568384449 /nfs/dbraw/zinc/38/44/49/568384449.db2.gz UZZRVTXOBPFVIZ-UHFFFAOYSA-N 1 0 365.424 4.978 20 0 FJADRO CC[C@@H](C)N(Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000604914258 568388632 /nfs/dbraw/zinc/38/86/32/568388632.db2.gz ZJBDXOACQXWNAV-WOJBJXKFSA-N 1 0 359.558 4.651 20 0 FJADRO O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1ccc(-n2ccnc2)cc1 ZINC000604963078 568428497 /nfs/dbraw/zinc/42/84/97/568428497.db2.gz XSMUTFUBRVCJKV-RMKNXTFCSA-N 1 0 372.453 4.752 20 0 FJADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+]CC(c2ccccc2)c2ccccc2)c1 ZINC000011046187 568482991 /nfs/dbraw/zinc/48/29/91/568482991.db2.gz VLDLRZVQGKEDKA-LJQANCHMSA-N 1 0 358.485 4.744 20 0 FJADRO Cc1ccccc1NC(=O)[C@@H](C)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000011046328 568483014 /nfs/dbraw/zinc/48/30/14/568483014.db2.gz NSUSJPWOMWMAFH-LJQANCHMSA-N 1 0 358.485 4.744 20 0 FJADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000007375355 568503448 /nfs/dbraw/zinc/50/34/48/568503448.db2.gz IFZFVNFMCWKCJM-GUYCJALGSA-N 1 0 361.283 4.517 20 0 FJADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000007375356 568503533 /nfs/dbraw/zinc/50/35/33/568503533.db2.gz IFZFVNFMCWKCJM-SUMWQHHRSA-N 1 0 361.283 4.517 20 0 FJADRO Cc1csc(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)n1 ZINC000605008445 568515821 /nfs/dbraw/zinc/51/58/21/568515821.db2.gz JPCVYGXKGPKSDE-UHFFFAOYSA-N 1 0 351.313 4.773 20 0 FJADRO FC(F)(F)c1cc(C[NH2+]Cc2cccc(-n3cccn3)c2)ccc1Cl ZINC000605008452 568515867 /nfs/dbraw/zinc/51/58/67/568515867.db2.gz NJYLWLHKZHWQIA-UHFFFAOYSA-N 1 0 365.786 4.834 20 0 FJADRO Cc1ccc(OCc2nc(C[NH2+]CC3Cc4ccccc4C3)cs2)cc1 ZINC000605008581 568515930 /nfs/dbraw/zinc/51/59/30/568515930.db2.gz HHHCHQRJJCBBRA-UHFFFAOYSA-N 1 0 364.514 4.535 20 0 FJADRO CCC[NH+]1CCC(Nc2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000007468586 568520608 /nfs/dbraw/zinc/52/06/08/568520608.db2.gz LYPZVGOICBIKLW-UHFFFAOYSA-N 1 0 352.507 4.645 20 0 FJADRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000643285448 568527805 /nfs/dbraw/zinc/52/78/05/568527805.db2.gz DYCFMZXEPHUGII-QHCPKHFHSA-N 1 0 354.538 4.567 20 0 FJADRO Cc1ccc([C@@H]([NH2+]CC(=O)N[C@H](C)c2cccs2)c2ccccc2)cc1 ZINC000007542213 568529869 /nfs/dbraw/zinc/52/98/69/568529869.db2.gz BOVLBFASBMDYHO-VGSWGCGISA-N 1 0 364.514 4.613 20 0 FJADRO Cc1ccc([C@H]([NH2+]CC(=O)N[C@@H](C)c2cccs2)c2ccccc2)cc1 ZINC000007542191 568529918 /nfs/dbraw/zinc/52/99/18/568529918.db2.gz BOVLBFASBMDYHO-HTAPYJJXSA-N 1 0 364.514 4.613 20 0 FJADRO Clc1ccc(Cl)c(-c2csc(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)n2)c1 ZINC000563159214 568552123 /nfs/dbraw/zinc/55/21/23/568552123.db2.gz ZEXYLPNILWAPBT-BZNIZROVSA-N 1 0 369.317 4.728 20 0 FJADRO CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605102428 568566136 /nfs/dbraw/zinc/56/61/36/568566136.db2.gz HAXHSOVJFLBYOC-WBVHZDCISA-N 1 0 370.459 4.641 20 0 FJADRO CN(C(=O)c1ccc(C2=CCCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000637193278 568567421 /nfs/dbraw/zinc/56/74/21/568567421.db2.gz PSYUWMZWVIMNDU-UHFFFAOYSA-N 1 0 374.528 4.991 20 0 FJADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000605122174 568574615 /nfs/dbraw/zinc/57/46/15/568574615.db2.gz NEWFLUFNQDAVPX-SFHVURJKSA-N 1 0 360.542 4.638 20 0 FJADRO c1sc(N2CCCC2)nc1CC[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000605164991 568593428 /nfs/dbraw/zinc/59/34/28/568593428.db2.gz AMEKYNOAIKSNOP-UHFFFAOYSA-N 1 0 363.530 4.743 20 0 FJADRO Brc1ccc2c(c1)C=C(C[NH2+][C@H]1CSc3ccccc31)CO2 ZINC000605165873 568593995 /nfs/dbraw/zinc/59/39/95/568593995.db2.gz CSZCCXPVOZZFNJ-INIZCTEOSA-N 1 0 374.303 4.662 20 0 FJADRO CN1CCC[C@H](C[NH2+]Cc2ccsc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165798 568594058 /nfs/dbraw/zinc/59/40/58/568594058.db2.gz WYPKDIFPYDEJMM-SJLPKXTDSA-N 1 0 368.468 4.940 20 0 FJADRO FC(F)(F)COc1ccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000605154210 568598187 /nfs/dbraw/zinc/59/81/87/568598187.db2.gz LNPQAGANVDEBDF-GOSISDBHSA-N 1 0 367.436 4.918 20 0 FJADRO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCS[C@H](c4ccccc4)C3)cc2)n1 ZINC000605154507 568598933 /nfs/dbraw/zinc/59/89/33/568598933.db2.gz SGJQDTYWTOKUBE-QFIPXVFZSA-N 1 0 363.530 4.779 20 0 FJADRO CC(C)(C)c1ccccc1NC(=O)CN1CCS[C@@H](c2ccccc2)C1 ZINC000605155529 568600518 /nfs/dbraw/zinc/60/05/18/568600518.db2.gz UCRSNVGJUILYKG-HXUWFJFHSA-N 1 0 368.546 4.713 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(NC3CCCC3)c2)o1 ZINC000605180325 568605176 /nfs/dbraw/zinc/60/51/76/568605176.db2.gz DLEYLHIKEBAUMK-UHFFFAOYSA-N 1 0 355.482 4.728 20 0 FJADRO Cc1cccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)COCc2cccs2)c1 ZINC000605187803 568615350 /nfs/dbraw/zinc/61/53/50/568615350.db2.gz QKPIQGQXHZSFSB-FPOVZHCZSA-N 1 0 359.535 4.551 20 0 FJADRO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)cc2)n1 ZINC000025946831 568627251 /nfs/dbraw/zinc/62/72/51/568627251.db2.gz HDMAXZNBCXRBLQ-UHFFFAOYSA-N 1 0 373.500 4.584 20 0 FJADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000063771510 568641073 /nfs/dbraw/zinc/64/10/73/568641073.db2.gz NQKDMJINTJQQJI-UHFFFAOYSA-N 1 0 363.505 4.658 20 0 FJADRO O=C(c1ccc(Oc2ccccc2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000050009344 568657584 /nfs/dbraw/zinc/65/75/84/568657584.db2.gz HBKYXOLQPSDEDF-UHFFFAOYSA-N 1 0 364.489 4.569 20 0 FJADRO Cc1ccc(-c2ccc(C)c(NC(=O)N3CCC([NH+]4CCCC4)CC3)c2)o1 ZINC000365433993 568672060 /nfs/dbraw/zinc/67/20/60/568672060.db2.gz DPGZRKYCPRRMFD-UHFFFAOYSA-N 1 0 367.493 4.656 20 0 FJADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)c1cccs1)c1ccccc1Cl ZINC000606162315 568680983 /nfs/dbraw/zinc/68/09/83/568680983.db2.gz YYMIFMRIPAWDBB-PBHICJAKSA-N 1 0 364.942 4.704 20 0 FJADRO C[C@H](Cc1ccccc1F)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000606174655 568690417 /nfs/dbraw/zinc/69/04/17/568690417.db2.gz YHRKQFLUSCIBSB-QGZVFWFLSA-N 1 0 354.469 4.629 20 0 FJADRO CC(C)c1ccc([C@H](C)CC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000606195033 568714573 /nfs/dbraw/zinc/71/45/73/568714573.db2.gz MQAHSFCNZBTNIU-DENIHFKCSA-N 1 0 356.554 4.781 20 0 FJADRO CC(C)(c1ccnc(Cl)c1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164625035 719113502 /nfs/dbraw/zinc/11/35/02/719113502.db2.gz GCWMEODYDLMPPT-ICSRJNTNSA-N 1 0 369.940 4.567 20 0 FJADRO Clc1ccc(-c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)cc1 ZINC001165047027 721966428 /nfs/dbraw/zinc/96/64/28/721966428.db2.gz RCXYKUVRTQYZFB-LJQANCHMSA-N 1 0 370.928 4.642 20 0 FJADRO Clc1cc(-c2ccnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2)ccn1 ZINC001165049682 721967734 /nfs/dbraw/zinc/96/77/34/721967734.db2.gz UKODWEMDNQCPPO-LJQANCHMSA-N 1 0 370.928 4.642 20 0 FJADRO CC[NH+](CC)C1CCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC001165053676 722006112 /nfs/dbraw/zinc/00/61/12/722006112.db2.gz RTENVRHRMMSSPK-UHFFFAOYSA-N 1 0 366.534 4.669 20 0 FJADRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2ccccc2C)CC1 ZINC001165054055 722007288 /nfs/dbraw/zinc/00/72/88/722007288.db2.gz HIINBWHLYLDIGA-UHFFFAOYSA-N 1 0 374.916 4.541 20 0 FJADRO Cc1cc2c(ccnc2N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)o1 ZINC001164994081 722210130 /nfs/dbraw/zinc/21/01/30/722210130.db2.gz FJNGVTDZVOKBFU-JOCHJYFZSA-N 1 0 365.452 4.520 20 0 FJADRO CCSc1ccnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995876 722211964 /nfs/dbraw/zinc/21/19/64/722211964.db2.gz LDAFNGZCWYNFDQ-NRFANRHFSA-N 1 0 371.525 4.578 20 0 FJADRO COc1ccc(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)cc1 ZINC000109870909 209315275 /nfs/dbraw/zinc/31/52/75/209315275.db2.gz LWSWNXZELMOSMM-UHFFFAOYSA-N 1 0 350.245 4.568 20 0 FJADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc(C)s3)ccc21 ZINC000109613576 209310519 /nfs/dbraw/zinc/31/05/19/209310519.db2.gz LQZKRXURPWLDTQ-UHFFFAOYSA-N 1 0 355.507 4.605 20 0 FJADRO Brc1cccc(C2([NH2+]CCCc3ccccc3)CCOCC2)c1 ZINC000108810288 209293537 /nfs/dbraw/zinc/29/35/37/209293537.db2.gz YCQPUDQWJCMEMB-UHFFFAOYSA-N 1 0 374.322 4.677 20 0 FJADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1[nH]c2ccccc2c1Cl ZINC000108610675 209291257 /nfs/dbraw/zinc/29/12/57/209291257.db2.gz LSDHPTDJESPEPW-UHFFFAOYSA-N 1 0 369.896 4.592 20 0 FJADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(C)(C)c3ccccc3)cc2)C1 ZINC000107590645 209277946 /nfs/dbraw/zinc/27/79/46/209277946.db2.gz OWHJHMAZXZLIQJ-SFHVURJKSA-N 1 0 350.506 4.835 20 0 FJADRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2csc(-c3ccccc3F)n2)s1 ZINC000462801940 370698671 /nfs/dbraw/zinc/69/86/71/370698671.db2.gz FIXYFMFRZWYNJB-NSHDSACASA-N 1 0 361.511 4.916 20 0 FJADRO Cc1nc(C)c(CC[NH2+][C@H](C)c2csc(-c3ccccc3F)n2)s1 ZINC000462801939 370698701 /nfs/dbraw/zinc/69/87/01/370698701.db2.gz FIXYFMFRZWYNJB-LLVKDONJSA-N 1 0 361.511 4.916 20 0 FJADRO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCCc2ccccc21 ZINC000018935251 220234005 /nfs/dbraw/zinc/23/40/05/220234005.db2.gz BXZFHBAYWKNMTL-SFHVURJKSA-N 1 0 362.395 4.653 20 0 FJADRO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCCc2ccccc21 ZINC000018935250 220234128 /nfs/dbraw/zinc/23/41/28/220234128.db2.gz BXZFHBAYWKNMTL-GOSISDBHSA-N 1 0 362.395 4.653 20 0 FJADRO CSc1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000054226143 221051242 /nfs/dbraw/zinc/05/12/42/221051242.db2.gz RZTXZXDCZRVKDR-HOCLYGCPSA-N 1 0 374.937 4.627 20 0 FJADRO C[C@H]([NH2+][C@@H](C)c1ccc(I)cc1)c1ccsc1 ZINC000061361501 221133454 /nfs/dbraw/zinc/13/34/54/221133454.db2.gz XOXFJKPWIHNOMO-QWRGUYRKSA-N 1 0 357.260 4.765 20 0 FJADRO CC(C)c1ccccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000109189348 132244762 /nfs/dbraw/zinc/24/47/62/132244762.db2.gz KXHRYFXJCZVJFU-UHFFFAOYSA-N 1 0 365.521 4.593 20 0 FJADRO Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000106036026 222380727 /nfs/dbraw/zinc/38/07/27/222380727.db2.gz GBBYRMJRUYDATP-HOTGVXAUSA-N 1 0 372.896 4.510 20 0 FJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000109569799 222466730 /nfs/dbraw/zinc/46/67/30/222466730.db2.gz BHZZCPDXQJEKGW-SFTDATJTSA-N 1 0 370.924 4.602 20 0 FJADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000605951700 567835319 /nfs/dbraw/zinc/83/53/19/567835319.db2.gz FILSAELBOPGYGV-OALUTQOASA-N 1 0 361.530 4.561 20 0 FJADRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cnc(-c2ccccc2OC)nc1 ZINC000644832580 567840213 /nfs/dbraw/zinc/84/02/13/567840213.db2.gz ZWUNEFBEPOUVBY-OAQYLSRUSA-N 1 0 359.473 4.662 20 0 FJADRO CCN(CC)[C@H](C[NH2+]Cc1scnc1C)c1ccc(C(F)(F)F)cc1 ZINC000236899106 567854472 /nfs/dbraw/zinc/85/44/72/567854472.db2.gz XWQSWGNRAHMFKP-MRXNPFEDSA-N 1 0 371.472 4.643 20 0 FJADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2F)ccc1OC(F)F ZINC000060833378 567855309 /nfs/dbraw/zinc/85/53/09/567855309.db2.gz AJSQKTJFKUBXCV-NSHDSACASA-N 1 0 357.347 4.816 20 0 FJADRO CCCCOc1ncccc1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000063579223 567878274 /nfs/dbraw/zinc/87/82/74/567878274.db2.gz IOBSIYMKLZXARY-UHFFFAOYSA-N 1 0 354.494 4.872 20 0 FJADRO CC[C@@H](CC(=O)N(c1ccccc1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000601961278 567887353 /nfs/dbraw/zinc/88/73/53/567887353.db2.gz WZLCMERPVUSIQS-IBGZPJMESA-N 1 0 350.506 4.698 20 0 FJADRO C[NH+]1CCC(N(C(=O)c2cccc(Cl)c2Cl)c2ccccc2)CC1 ZINC000601963332 567888101 /nfs/dbraw/zinc/88/81/01/567888101.db2.gz UJDJLORISQMWEM-UHFFFAOYSA-N 1 0 363.288 4.734 20 0 FJADRO Fc1cc(CN2CCC[C@H]2c2nc3ccccc3s2)c2c(c1)COCO2 ZINC000014929278 567903899 /nfs/dbraw/zinc/90/38/99/567903899.db2.gz GOEFPYHTUBRAKF-KRWDZBQOSA-N 1 0 370.449 4.639 20 0 FJADRO CC[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000602093034 567932687 /nfs/dbraw/zinc/93/26/87/567932687.db2.gz GQBZHWHEIHNSFN-QUCCMNQESA-N 1 0 358.551 4.516 20 0 FJADRO COc1cc(-c2nc(C[N@H+](C3CC3)C3CCCCC3)cs2)ccc1O ZINC000602238527 567954654 /nfs/dbraw/zinc/95/46/54/567954654.db2.gz HPKPNDKMJWRDLI-UHFFFAOYSA-N 1 0 358.507 4.821 20 0 FJADRO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000602238746 567954923 /nfs/dbraw/zinc/95/49/23/567954923.db2.gz DCJVVJKARYNENJ-HNAYVOBHSA-N 1 0 360.295 4.974 20 0 FJADRO Cc1ccccc1[C@H](C(C)C)[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000602251761 567959856 /nfs/dbraw/zinc/95/98/56/567959856.db2.gz LNSBSTBPXNVLBI-SFHVURJKSA-N 1 0 352.507 4.738 20 0 FJADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccc(OC(F)(F)F)cc1 ZINC000602550726 567990686 /nfs/dbraw/zinc/99/06/86/567990686.db2.gz LXIDJZONDRNWID-CHWSQXEVSA-N 1 0 367.367 4.768 20 0 FJADRO C[C@H]([NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(F)cc1F ZINC000602584116 567994182 /nfs/dbraw/zinc/99/41/82/567994182.db2.gz NJWWVKKJEUZGIG-KBXCAEBGSA-N 1 0 365.427 4.630 20 0 FJADRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000602576661 567996787 /nfs/dbraw/zinc/99/67/87/567996787.db2.gz DMONGGWORXCVMH-LLVKDONJSA-N 1 0 355.240 4.730 20 0 FJADRO CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)c1 ZINC000187017582 567999790 /nfs/dbraw/zinc/99/97/90/567999790.db2.gz ZVJAFAMBNFLIJD-HXUWFJFHSA-N 1 0 368.546 4.770 20 0 FJADRO CCCNC(=O)c1cccc(C[NH2+][C@H]2CCSc3cc(C)c(C)cc32)c1 ZINC000187017603 567999883 /nfs/dbraw/zinc/99/98/83/567999883.db2.gz ZVJAFAMBNFLIJD-FQEVSTJZSA-N 1 0 368.546 4.770 20 0 FJADRO CCN(C(=O)NCc1cccc(C[N@H+](C)CC)c1)[C@H](C)c1ccc(F)cc1 ZINC000064229365 568001291 /nfs/dbraw/zinc/00/12/91/568001291.db2.gz RPRCOGSNDVFHDM-QGZVFWFLSA-N 1 0 371.500 4.570 20 0 FJADRO C[C@@H](c1cccc2ccccc21)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000602879904 568004031 /nfs/dbraw/zinc/00/40/31/568004031.db2.gz HOHLNVOBMBTRMU-ROUUACIJSA-N 1 0 352.522 4.775 20 0 FJADRO CCC(CC)C(=O)N1CCC([NH2+][C@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000187030703 568004329 /nfs/dbraw/zinc/00/43/29/568004329.db2.gz REHIBTYVRXTCHV-QFIPXVFZSA-N 1 0 356.554 4.853 20 0 FJADRO CC[C@@H](C)Oc1cc(C[NH2+][C@@H](C)Cc2cccc(OC)c2)ccc1OC ZINC000602909515 568010906 /nfs/dbraw/zinc/01/09/06/568010906.db2.gz YFLWOHZJRJZQDV-DLBZAZTESA-N 1 0 357.494 4.602 20 0 FJADRO COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)c1 ZINC000602910118 568011058 /nfs/dbraw/zinc/01/10/58/568011058.db2.gz ISMOWIWTGBEYAX-UHFFFAOYSA-N 1 0 365.420 4.764 20 0 FJADRO FC(F)Oc1cccc(Cl)c1C[NH2+]CCc1ccc2ccccc2n1 ZINC000602911175 568011130 /nfs/dbraw/zinc/01/11/30/568011130.db2.gz SMSRYNBABQBXBI-UHFFFAOYSA-N 1 0 362.807 4.822 20 0 FJADRO C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000602910964 568011201 /nfs/dbraw/zinc/01/12/01/568011201.db2.gz PPJRAJBRETVEMG-AWEZNQCLSA-N 1 0 360.876 4.543 20 0 FJADRO CCC[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000461108922 568022275 /nfs/dbraw/zinc/02/22/75/568022275.db2.gz MHJRVYRZEOZARA-ROUUACIJSA-N 1 0 360.325 4.602 20 0 FJADRO C[C@H]1CCC[C@H](OCC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000602753112 568030454 /nfs/dbraw/zinc/03/04/54/568030454.db2.gz HOKADSPATHWKBC-RXVVDRJESA-N 1 0 358.526 4.596 20 0 FJADRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(Cn3ccnc3)c1)CCS2 ZINC000186987385 568037765 /nfs/dbraw/zinc/03/77/65/568037765.db2.gz SWAGTHGMRNFWGY-OAQYLSRUSA-N 1 0 363.530 4.875 20 0 FJADRO Cc1ccc([C@@H]([NH2+]Cc2ccccc2CN2CCCC2=O)C2CCC2)cc1 ZINC000186988008 568038142 /nfs/dbraw/zinc/03/81/42/568038142.db2.gz DGVVVZFKEIKJNU-DEOSSOPVSA-N 1 0 362.517 4.748 20 0 FJADRO COc1ccccc1-c1cnc(CNC2(c3nc(C)cs3)CCCC2)o1 ZINC000083222325 568040220 /nfs/dbraw/zinc/04/02/20/568040220.db2.gz REYUTPSXHAMLQU-UHFFFAOYSA-N 1 0 369.490 4.674 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187013807 568045605 /nfs/dbraw/zinc/04/56/05/568045605.db2.gz LBODOYUQPPOTOW-OAHLLOKOSA-N 1 0 353.457 4.574 20 0 FJADRO C[C@H](CCC(C)(C)C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000605984829 568060516 /nfs/dbraw/zinc/06/05/16/568060516.db2.gz ACMSCUCDDDAIDD-GOSISDBHSA-N 1 0 359.558 4.507 20 0 FJADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)[C@H]1CC1(F)F ZINC000666445188 568082592 /nfs/dbraw/zinc/08/25/92/568082592.db2.gz QWIWPZJZNLMDSN-RDDDGLTNSA-N 1 0 358.148 4.601 20 0 FJADRO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(Cl)c1Cl ZINC000522766061 568087590 /nfs/dbraw/zinc/08/75/90/568087590.db2.gz AWEZAWWQJKOFGT-NSHDSACASA-N 1 0 372.340 4.663 20 0 FJADRO CN(C(=O)c1cc2sccc2s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000603451101 568099429 /nfs/dbraw/zinc/09/94/29/568099429.db2.gz SIHBHCXNEIJWPS-UHFFFAOYSA-N 1 0 370.543 4.699 20 0 FJADRO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cccc(-c3ccccc3)c1)C[C@H](C)O2 ZINC000430780135 568104701 /nfs/dbraw/zinc/10/47/01/568104701.db2.gz JJZATIIJGSSZNC-MSYCTHLASA-N 1 0 351.490 4.512 20 0 FJADRO COc1ccc2[nH]cc(CC[NH2+]Cc3csc(-c4ccccc4)n3)c2c1 ZINC000603515849 568111592 /nfs/dbraw/zinc/11/15/92/568111592.db2.gz KJGMZGNUCIMKRI-UHFFFAOYSA-N 1 0 363.486 4.632 20 0 FJADRO COc1ccc2[nH]cc(CC[NH2+]Cc3csc(-c4ccsc4)n3)c2c1 ZINC000603516415 568111647 /nfs/dbraw/zinc/11/16/47/568111647.db2.gz VPIGYBVMBLOGKD-UHFFFAOYSA-N 1 0 369.515 4.694 20 0 FJADRO CCCc1ccc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)cc1 ZINC000603517736 568111947 /nfs/dbraw/zinc/11/19/47/568111947.db2.gz NOZGSGNXBYKHLZ-UHFFFAOYSA-N 1 0 351.519 4.880 20 0 FJADRO Cc1[nH]nc2ncc(C[NH2+][C@H]3CCOc4c(-c5ccccc5)cccc43)cc12 ZINC000603518288 568112033 /nfs/dbraw/zinc/11/20/33/568112033.db2.gz DYVWYYMPIJGUQB-NRFANRHFSA-N 1 0 370.456 4.547 20 0 FJADRO Clc1ccc2nc(C[NH2+][C@@H](c3cccnc3)C3CCCCC3)cn2c1 ZINC000603556893 568116783 /nfs/dbraw/zinc/11/67/83/568116783.db2.gz HMVVOLZUXVXDRM-HXUWFJFHSA-N 1 0 354.885 4.794 20 0 FJADRO O=[S@](CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000522775845 568131933 /nfs/dbraw/zinc/13/19/33/568131933.db2.gz CPZNOJODNJYUNH-NPMXOYFQSA-N 1 0 368.329 4.591 20 0 FJADRO Cc1cccc(C2(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)CCC2)c1 ZINC000603686319 568135579 /nfs/dbraw/zinc/13/55/79/568135579.db2.gz XMSDCBZGPJMKNP-SFTDATJTSA-N 1 0 368.565 4.530 20 0 FJADRO Cc1ccc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)c(C[NH+](C)C)c1 ZINC000603694768 568136735 /nfs/dbraw/zinc/13/67/35/568136735.db2.gz IBTQLDLPNJKVBB-QGZVFWFLSA-N 1 0 364.411 4.731 20 0 FJADRO COc1ccc(-c2cc(C[N@H+](CCc3cccc(F)c3)C3CC3)on2)cc1 ZINC000603713060 568138047 /nfs/dbraw/zinc/13/80/47/568138047.db2.gz TXEANFNSRLFSSE-UHFFFAOYSA-N 1 0 366.436 4.696 20 0 FJADRO C[C@@H](C(=O)Nc1ccccc1SCC(F)(F)F)[NH+]1CCCCCC1 ZINC000603793802 568164966 /nfs/dbraw/zinc/16/49/66/568164966.db2.gz QLLABDRMYVISNF-ZDUSSCGKSA-N 1 0 360.445 4.544 20 0 FJADRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCc3c(C)cccc32)cc1 ZINC000603926107 568182427 /nfs/dbraw/zinc/18/24/27/568182427.db2.gz HXMZCCDXVRXTGY-UHFFFAOYSA-N 1 0 350.506 4.820 20 0 FJADRO O=C(CC1CC[NH+](CCc2ccc3ccccc3c2)CC1)NC1CCCC1 ZINC000603932804 568183478 /nfs/dbraw/zinc/18/34/78/568183478.db2.gz PYFZVRXWMZOILX-UHFFFAOYSA-N 1 0 364.533 4.543 20 0 FJADRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000603944332 568185822 /nfs/dbraw/zinc/18/58/22/568185822.db2.gz LBDQRAUVFHSDPM-QHCPKHFHSA-N 1 0 374.484 4.719 20 0 FJADRO C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000122163718 568200437 /nfs/dbraw/zinc/20/04/37/568200437.db2.gz MYMGYMNNCVCLRS-CHWSQXEVSA-N 1 0 371.424 4.521 20 0 FJADRO CC[NH+]1CCN(c2ccc(NCc3ccc(Cl)c(F)c3)c(C)c2)CC1 ZINC000604063001 568204920 /nfs/dbraw/zinc/20/49/20/568204920.db2.gz HVKGUAHFZDFDSE-UHFFFAOYSA-N 1 0 361.892 4.542 20 0 FJADRO Clc1ccc(C2(C[NH2+]Cc3nccn3Cc3ccccc3)CCC2)cc1 ZINC000604066735 568205613 /nfs/dbraw/zinc/20/56/13/568205613.db2.gz YHZQGNJHGXHVAX-UHFFFAOYSA-N 1 0 365.908 4.796 20 0 FJADRO CC(C)(C[NH2+]Cc1ccc(OCc2ccccn2)cc1)Oc1ccccc1 ZINC000604072190 568210428 /nfs/dbraw/zinc/21/04/28/568210428.db2.gz BYWIJFZKSBVGGV-UHFFFAOYSA-N 1 0 362.473 4.608 20 0 FJADRO CCCCN(C(=O)NC1CC[NH+](CCC)CC1)[C@@H](CC)c1ccccc1 ZINC000604072888 568210560 /nfs/dbraw/zinc/21/05/60/568210560.db2.gz SBPNDWFOXJICGB-NRFANRHFSA-N 1 0 359.558 4.824 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cc1)C1CC1 ZINC000604258008 568239041 /nfs/dbraw/zinc/23/90/41/568239041.db2.gz QDSDXVSCVNPCCQ-XMSQKQJNSA-N 1 0 362.517 4.689 20 0 FJADRO O=C(C[C@H]1CCc2ccccc21)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000604280389 568240554 /nfs/dbraw/zinc/24/05/54/568240554.db2.gz ZFWYUIVEMCCJBY-LJQANCHMSA-N 1 0 371.484 4.945 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1cccc(Cl)c1 ZINC000303147913 568253349 /nfs/dbraw/zinc/25/33/49/568253349.db2.gz FLPVHOBWEJZKNT-QGZVFWFLSA-N 1 0 370.924 4.573 20 0 FJADRO CC[NH+](CC)[C@@H](CNC(=O)C[C@H](C)c1ccccc1F)c1ccccc1 ZINC000303171404 568255366 /nfs/dbraw/zinc/25/53/66/568255366.db2.gz RGNCKNYSUWKNJJ-UWJYYQICSA-N 1 0 356.485 4.519 20 0 FJADRO CC(C)CNC(=O)c1cccc(CN(C)[C@@H](C)c2ccccc2Cl)c1 ZINC000303209281 568257601 /nfs/dbraw/zinc/25/76/01/568257601.db2.gz QRFQZDXSRAIULD-INIZCTEOSA-N 1 0 358.913 4.919 20 0 FJADRO COCC1(CC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000563126947 568258711 /nfs/dbraw/zinc/25/87/11/568258711.db2.gz VSZLHHYZWRRLNI-INIZCTEOSA-N 1 0 360.498 4.733 20 0 FJADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1cccc2ccccc21 ZINC000212788052 568261170 /nfs/dbraw/zinc/26/11/70/568261170.db2.gz CEKDMHKHEXMNOJ-OALUTQOASA-N 1 0 358.485 4.653 20 0 FJADRO Cc1nc(COc2ccc(C[NH2+][C@H](CCC(C)C)C(C)(C)C)cc2)no1 ZINC000604417657 568275760 /nfs/dbraw/zinc/27/57/60/568275760.db2.gz ORQFPKYXNCILPG-LJQANCHMSA-N 1 0 359.514 4.898 20 0 FJADRO CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccccc3)c2)[C@H](C)C1 ZINC000604417994 568276114 /nfs/dbraw/zinc/27/61/14/568276114.db2.gz BAWJANUUTXKLLF-YKSBVNFPSA-N 1 0 366.549 4.580 20 0 FJADRO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000303438852 568278160 /nfs/dbraw/zinc/27/81/60/568278160.db2.gz HINUEMOARRGRGH-ZWKOTPCHSA-N 1 0 362.395 4.509 20 0 FJADRO Fc1cccc(F)c1-c1ccc(C[NH2+]CCCn2cnc3ccccc32)o1 ZINC000604414668 568279556 /nfs/dbraw/zinc/27/95/56/568279556.db2.gz JTQBVZNOWADPCO-UHFFFAOYSA-N 1 0 367.399 4.754 20 0 FJADRO CN(C)[C@@H](C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1ccsc1 ZINC000604414901 568279680 /nfs/dbraw/zinc/27/96/80/568279680.db2.gz PCAWWVGFRDNLDL-KRWDZBQOSA-N 1 0 362.445 4.679 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H](c2ccsc2)N(C)C)o1 ZINC000604414889 568279739 /nfs/dbraw/zinc/27/97/39/568279739.db2.gz LTRQAUTULVVDDC-IBGZPJMESA-N 1 0 358.482 4.848 20 0 FJADRO Fc1cccc(F)c1-c1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)o1 ZINC000604415444 568280840 /nfs/dbraw/zinc/28/08/40/568280840.db2.gz KPBKDBGQOOSXQJ-UHFFFAOYSA-N 1 0 367.399 4.824 20 0 FJADRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000604393226 568283225 /nfs/dbraw/zinc/28/32/25/568283225.db2.gz WNOUCJWHCDUSJO-WMLDXEAASA-N 1 0 353.853 4.768 20 0 FJADRO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000604393204 568283254 /nfs/dbraw/zinc/28/32/54/568283254.db2.gz UVIYMFSPBAUCKW-AZUAARDMSA-N 1 0 350.506 4.935 20 0 FJADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000604394115 568284029 /nfs/dbraw/zinc/28/40/29/568284029.db2.gz BNKMUDOWTAIGKO-PBHICJAKSA-N 1 0 353.853 4.768 20 0 FJADRO CCc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000604395288 568284947 /nfs/dbraw/zinc/28/49/47/568284947.db2.gz JKTIVEOHRWYQAA-UHFFFAOYSA-N 1 0 354.469 4.547 20 0 FJADRO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1 ZINC000303508286 568285082 /nfs/dbraw/zinc/28/50/82/568285082.db2.gz NLHSPMUNMUWWGB-UTKZUKDTSA-N 1 0 374.550 4.519 20 0 FJADRO FC(F)(F)[C@H]1C[C@H](C(F)(F)F)C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC000604383708 568287433 /nfs/dbraw/zinc/28/74/33/568287433.db2.gz FOQVEELHNXRHIN-GJZGRUSLSA-N 1 0 351.334 4.738 20 0 FJADRO c1ccc(-c2noc(C3CC[NH+](Cc4ccc5c(c4)CCC5)CC3)n2)cc1 ZINC000604387122 568289005 /nfs/dbraw/zinc/28/90/05/568289005.db2.gz ZJFXJYUYMWHYTJ-UHFFFAOYSA-N 1 0 359.473 4.605 20 0 FJADRO Clc1ccc(OCc2cccnc2)c(C[NH+](CC2CC2)CC2CC2)c1 ZINC000604395479 568294985 /nfs/dbraw/zinc/29/49/85/568294985.db2.gz CUKJGWMJKMMTOL-UHFFFAOYSA-N 1 0 356.897 4.936 20 0 FJADRO Cc1c(C(=O)NCCCCC[NH+]2CCCCC2)oc2c1c(C)ccc2C ZINC000303516191 568296058 /nfs/dbraw/zinc/29/60/58/568296058.db2.gz PJOAOKVBHMRRAA-UHFFFAOYSA-N 1 0 356.510 4.744 20 0 FJADRO C[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1cccc(Br)c1 ZINC000094368539 568296624 /nfs/dbraw/zinc/29/66/24/568296624.db2.gz LBMNPTAKFHSSIV-CJNGLKHVSA-N 1 0 370.356 4.545 20 0 FJADRO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)ccc1Oc1cccnc1 ZINC000563151615 568303424 /nfs/dbraw/zinc/30/34/24/568303424.db2.gz YYHRBZDSRYXXNG-CTNGQTDRSA-N 1 0 352.478 4.573 20 0 FJADRO Cc1cc(OC(C)C)ccc1NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000604616660 568325084 /nfs/dbraw/zinc/32/50/84/568325084.db2.gz FEZWROMTZAFNCB-UHFFFAOYSA-N 1 0 373.541 4.510 20 0 FJADRO COC1CCC([N@H+](C)CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000604607983 568326074 /nfs/dbraw/zinc/32/60/74/568326074.db2.gz JKNOZRBYNFFONP-UHFFFAOYSA-N 1 0 359.432 4.754 20 0 FJADRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 ZINC000604628827 568330343 /nfs/dbraw/zinc/33/03/43/568330343.db2.gz WOLZHHBTGYWNOG-ROUUACIJSA-N 1 0 369.509 4.678 20 0 FJADRO Cc1ccc([C@H](CNC(=O)Nc2ccccc2OC(C)(C)C)[NH+](C)C)cc1 ZINC000604630500 568332113 /nfs/dbraw/zinc/33/21/13/568332113.db2.gz AVWNHVFXMHCGKQ-IBGZPJMESA-N 1 0 369.509 4.597 20 0 FJADRO CC(C)Cc1ccc([C@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000604634218 568333168 /nfs/dbraw/zinc/33/31/68/568333168.db2.gz JEQZTQYSDDLRPU-RBBKRZOGSA-N 1 0 373.585 4.565 20 0 FJADRO Cc1cccc([C@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000604669824 568344722 /nfs/dbraw/zinc/34/47/22/568344722.db2.gz GRIJWTRETVLJRL-LEWJYISDSA-N 1 0 371.569 4.518 20 0 FJADRO Cc1cccc2sc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(Cl)c21 ZINC000604726836 568353438 /nfs/dbraw/zinc/35/34/38/568353438.db2.gz UPNXUMHCRMUFNU-CQSZACIVSA-N 1 0 366.958 4.959 20 0 FJADRO C[C@@H](CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000604727021 568354277 /nfs/dbraw/zinc/35/42/77/568354277.db2.gz PPLDBYSCIRDMRK-WMLDXEAASA-N 1 0 372.475 4.682 20 0 FJADRO Cc1ccc(CCC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c1 ZINC000604713859 568355260 /nfs/dbraw/zinc/35/52/60/568355260.db2.gz QXYVUZSZTNRAKI-FQEVSTJZSA-N 1 0 364.533 4.578 20 0 FJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(C(F)F)cc2)CC1 ZINC000604714379 568355305 /nfs/dbraw/zinc/35/53/05/568355305.db2.gz LXZDKVWGBFBHMU-OAHLLOKOSA-N 1 0 358.432 4.580 20 0 FJADRO CC(C)=C[C@@H]1[C@H](C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1(C)C ZINC000604714361 568355325 /nfs/dbraw/zinc/35/53/25/568355325.db2.gz KTJQUZKDTDSYOD-IOMROCGXSA-N 1 0 354.538 4.567 20 0 FJADRO CC(C)=C[C@@H]1[C@H](C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1(C)C ZINC000604714360 568355379 /nfs/dbraw/zinc/35/53/79/568355379.db2.gz KTJQUZKDTDSYOD-DUXKGJEZSA-N 1 0 354.538 4.567 20 0 FJADRO Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000604744438 568355967 /nfs/dbraw/zinc/35/59/67/568355967.db2.gz OYAUISRYCXZYKC-LEWJYISDSA-N 1 0 356.554 4.603 20 0 FJADRO Cc1ccccc1[C@H](C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000604742278 568359766 /nfs/dbraw/zinc/35/97/66/568359766.db2.gz RMMPFYBUMOJEKH-IFMALSPDSA-N 1 0 364.533 4.517 20 0 FJADRO Cc1ccccc1[C@@H](C)CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604744068 568360013 /nfs/dbraw/zinc/36/00/13/568360013.db2.gz SZCLKQSFHCSIAU-FQEVSTJZSA-N 1 0 356.554 4.603 20 0 FJADRO C[C@](CO)([NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000604765538 568361818 /nfs/dbraw/zinc/36/18/18/568361818.db2.gz VTVLQQWXWQBQAS-RUZDIDTESA-N 1 0 370.496 4.687 20 0 FJADRO C[C@H]([NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)C(C)(C)O ZINC000604765586 568361826 /nfs/dbraw/zinc/36/18/26/568361826.db2.gz UNINCAMFRZOGFV-ZDUSSCGKSA-N 1 0 353.384 4.747 20 0 FJADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000604766624 568362085 /nfs/dbraw/zinc/36/20/85/568362085.db2.gz KPJICJZMMDXBKM-LJQANCHMSA-N 1 0 362.498 4.590 20 0 FJADRO CC(C)c1ccc(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000604767460 568362347 /nfs/dbraw/zinc/36/23/47/568362347.db2.gz LGWGOEDJSZIMDJ-IBGZPJMESA-N 1 0 351.412 4.826 20 0 FJADRO Cc1cc(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)c2ccccc2n1 ZINC000604767664 568362372 /nfs/dbraw/zinc/36/23/72/568362372.db2.gz UUGUZBQGLOPHEO-HXUWFJFHSA-N 1 0 374.406 4.559 20 0 FJADRO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)o1 ZINC000604768419 568362587 /nfs/dbraw/zinc/36/25/87/568362587.db2.gz QAOKVDGXAPOWBQ-YCRPNKLZSA-N 1 0 353.437 4.648 20 0 FJADRO Cc1ccc(COc2ccc(C[NH2+][C@@H](CO)c3cccc(F)c3)cc2)cc1 ZINC000604768985 568362650 /nfs/dbraw/zinc/36/26/50/568362650.db2.gz XCPZSVPTZSUAOZ-QHCPKHFHSA-N 1 0 365.448 4.536 20 0 FJADRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000604769762 568362791 /nfs/dbraw/zinc/36/27/91/568362791.db2.gz NFWPOFMUMQWMHL-CVEARBPZSA-N 1 0 374.525 4.727 20 0 FJADRO CCCOc1ccc(C[NH2+]C2CCN([C@H](C)c3ccccc3)CC2)cc1 ZINC000604769678 568362814 /nfs/dbraw/zinc/36/28/14/568362814.db2.gz HOKOSKYNGSDYTD-LJQANCHMSA-N 1 0 352.522 4.791 20 0 FJADRO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccccc2OCC2CC2)CC1 ZINC000604770019 568362904 /nfs/dbraw/zinc/36/29/04/568362904.db2.gz SBKHLUZQYDPBPM-LJQANCHMSA-N 1 0 364.533 4.791 20 0 FJADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCC2CCCCC2)CC1 ZINC000604785076 568366462 /nfs/dbraw/zinc/36/64/62/568366462.db2.gz CSWDJSOZDJSFCL-LJQANCHMSA-N 1 0 371.569 4.824 20 0 FJADRO CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000604789174 568367206 /nfs/dbraw/zinc/36/72/06/568367206.db2.gz SZTNJYYJAKADMQ-OXJNMPFZSA-N 1 0 373.541 4.892 20 0 FJADRO CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)c1cc2ccccc2o1 ZINC000604789175 568367237 /nfs/dbraw/zinc/36/72/37/568367237.db2.gz SZTNJYYJAKADMQ-OXQOHEQNSA-N 1 0 373.541 4.892 20 0 FJADRO CC(C)CN(C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CCCC1 ZINC000604821961 568370178 /nfs/dbraw/zinc/37/01/78/568370178.db2.gz GIBRYASCSNXSCJ-LJQANCHMSA-N 1 0 371.569 4.822 20 0 FJADRO CC(C)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000604827717 568376700 /nfs/dbraw/zinc/37/67/00/568376700.db2.gz XUXAGZRBKKAHOW-VQTJNVASSA-N 1 0 371.569 4.680 20 0 FJADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sccc1-c1ccc(C)cc1 ZINC000647747283 568377228 /nfs/dbraw/zinc/37/72/28/568377228.db2.gz MDSSWSXWBKIACM-QGZVFWFLSA-N 1 0 358.551 4.964 20 0 FJADRO CC(C)n1ccc(C[N@H+](C)CCCCCc2cc(-c3ccccc3)n[nH]2)n1 ZINC000604885194 568380688 /nfs/dbraw/zinc/38/06/88/568380688.db2.gz HJBNUGFFYFKDHG-UHFFFAOYSA-N 1 0 365.525 4.699 20 0 FJADRO C[C@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000604892085 568382042 /nfs/dbraw/zinc/38/20/42/568382042.db2.gz JGHLUCKTIJNQDE-RAUXBKROSA-N 1 0 370.562 4.705 20 0 FJADRO CC(C)c1ccsc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000604875220 568382751 /nfs/dbraw/zinc/38/27/51/568382751.db2.gz OKNPPOCSRGQOOT-UHFFFAOYSA-N 1 0 366.914 4.718 20 0 FJADRO CC(C)N(C(=O)[C@@H](C)[NH2+][C@H](Cc1ccccc1)c1cccs1)C(C)C ZINC000604892609 568383130 /nfs/dbraw/zinc/38/31/30/568383130.db2.gz YVHFPCZPGKXZCJ-IEBWSBKVSA-N 1 0 358.551 4.655 20 0 FJADRO Fc1ccc(CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C2CC2)cc1 ZINC000604903189 568385503 /nfs/dbraw/zinc/38/55/03/568385503.db2.gz WJKZXUHOXBRQBV-UHFFFAOYSA-N 1 0 372.390 4.966 20 0 FJADRO CC[C@H](C)N(Cc1ccccc1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000604914004 568388546 /nfs/dbraw/zinc/38/85/46/568388546.db2.gz KSDJEXPXJJUTHN-FQEVSTJZSA-N 1 0 359.558 4.509 20 0 FJADRO CC(C)c1ccc(CCCNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000604921613 568390659 /nfs/dbraw/zinc/39/06/59/568390659.db2.gz BIYFTCVYHDYTBN-UHFFFAOYSA-N 1 0 373.585 4.504 20 0 FJADRO Cc1nnc([C@@H]2CC23CCN(Cc2csc(Cl)c2Cl)CC3)o1 ZINC000365269308 568391230 /nfs/dbraw/zinc/39/12/30/568391230.db2.gz RWWWWJUAHLPFDN-NSHDSACASA-N 1 0 358.294 4.516 20 0 FJADRO CCCC[C@@H](CC)CC(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000604936879 568400850 /nfs/dbraw/zinc/40/08/50/568400850.db2.gz UCBBDGFUBFCCKG-BEFAXECRSA-N 1 0 361.917 4.886 20 0 FJADRO CC1(C)CN(C(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)[C@H]1c1ccccc1 ZINC000644853764 568414482 /nfs/dbraw/zinc/41/44/82/568414482.db2.gz JKIYNVUARKZXSV-CTNGQTDRSA-N 1 0 359.473 4.541 20 0 FJADRO CC[NH+](CC)[C@@H](CNC(=O)c1oc2c(cccc2F)c1C)c1ccsc1 ZINC000031992845 568416056 /nfs/dbraw/zinc/41/60/56/568416056.db2.gz BRWRXXDSUFYGSO-KRWDZBQOSA-N 1 0 374.481 4.755 20 0 FJADRO O=C(CC[N@@H+]1CCC[C@H]1c1ccsc1)Nc1ccc(Cl)cc1F ZINC000051852949 568486796 /nfs/dbraw/zinc/48/67/96/568486796.db2.gz LRPYRVGWLOHLDF-INIZCTEOSA-N 1 0 352.862 4.706 20 0 FJADRO OCC1(C[NH2+][C@H]2CCSc3c(F)cccc32)CC(c2ccccc2)C1 ZINC000433097148 568504871 /nfs/dbraw/zinc/50/48/71/568504871.db2.gz KZEJAGVJDSIPFD-BSLVTKGXSA-N 1 0 357.494 4.509 20 0 FJADRO Brc1ccc(/C=C\CC[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000604997458 568508097 /nfs/dbraw/zinc/50/80/97/568508097.db2.gz YYEVMSNFSWMRGI-DIIYHRTISA-N 1 0 372.310 4.522 20 0 FJADRO CCOC[C@@H]1CCC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000604998604 568512014 /nfs/dbraw/zinc/51/20/14/568512014.db2.gz HTCNBRQJZNWOTP-GPCFVJJQSA-N 1 0 352.316 4.601 20 0 FJADRO CC[C@H]1CCC[N@H+](Cc2csc(-c3cccc(OC)c3OC)n2)CC1 ZINC000604999192 568512603 /nfs/dbraw/zinc/51/26/03/568512603.db2.gz UOIGXOKTJIIEGP-HNNXBMFYSA-N 1 0 360.523 4.839 20 0 FJADRO Brc1ccc(CC[NH2+]Cc2cnc(-c3ccccc3)s2)cc1 ZINC000605008556 568515922 /nfs/dbraw/zinc/51/59/22/568515922.db2.gz FNPYNEXBTIXJAK-UHFFFAOYSA-N 1 0 373.319 4.905 20 0 FJADRO Cc1cc(-c2noc([C@H](C)[NH2+]C[C@H]3CCc4ccccc4C3)n2)ccc1F ZINC000605007996 568521100 /nfs/dbraw/zinc/52/11/00/568521100.db2.gz PCXOOFWJMSYCJH-HOTGVXAUSA-N 1 0 365.452 4.640 20 0 FJADRO c1ccc(COc2ccc(CN3CCC([NH+]4CCCCC4)CC3)cc2)cc1 ZINC000034081702 568572381 /nfs/dbraw/zinc/57/23/81/568572381.db2.gz WFEBADQJUBDFFL-UHFFFAOYSA-N 1 0 364.533 4.716 20 0 FJADRO CN1CCC[C@@H](C[NH2+]Cc2ccsc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165797 568594125 /nfs/dbraw/zinc/59/41/25/568594125.db2.gz WYPKDIFPYDEJMM-FUHWJXTLSA-N 1 0 368.468 4.940 20 0 FJADRO FC(F)(F)COc1cccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000605155275 568600071 /nfs/dbraw/zinc/60/00/71/568600071.db2.gz MUYXIJYGCJYVGQ-SFHVURJKSA-N 1 0 367.436 4.918 20 0 FJADRO C[C@H](CC(=O)NCC1([NH+](C)C)CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000606159251 568678447 /nfs/dbraw/zinc/67/84/47/568678447.db2.gz TYWJGKNIGDZNIB-OAHLLOKOSA-N 1 0 370.459 4.580 20 0 FJADRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000606177150 568692273 /nfs/dbraw/zinc/69/22/73/568692273.db2.gz LCJFFTVMYJMRCK-IRXDYDNUSA-N 1 0 356.535 4.542 20 0 FJADRO CCCN(C(=O)[C@H](C)c1cccs1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000606189029 568710103 /nfs/dbraw/zinc/71/01/03/568710103.db2.gz YEEVPFXUHLXUQP-UYAOXDASSA-N 1 0 370.562 4.755 20 0 FJADRO CC(C)c1ccc([C@@H](C)CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000606195043 568714650 /nfs/dbraw/zinc/71/46/50/568714650.db2.gz MQAHSFCNZBTNIU-UGKGYDQZSA-N 1 0 356.554 4.781 20 0 FJADRO C[C@@H](CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000606201265 568720211 /nfs/dbraw/zinc/72/02/11/568720211.db2.gz VLCVBYGIVVZGKD-WMLDXEAASA-N 1 0 372.475 4.682 20 0 FJADRO C[C@H](CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000606201264 568720227 /nfs/dbraw/zinc/72/02/27/568720227.db2.gz VLCVBYGIVVZGKD-RHSMWYFYSA-N 1 0 372.475 4.682 20 0 FJADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164418509 718893689 /nfs/dbraw/zinc/89/36/89/718893689.db2.gz CSLOTJJBRVQOLV-KRWDZBQOSA-N 1 0 369.887 4.516 20 0 FJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCCCC12CC[NH2+]CC2 ZINC001164420041 718909986 /nfs/dbraw/zinc/90/99/86/718909986.db2.gz GGRBTJTUVFZPQH-UHFFFAOYSA-N 1 0 365.855 4.546 20 0 FJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCCCC12CC[NH2+]CC2 ZINC001164420597 718911953 /nfs/dbraw/zinc/91/19/53/718911953.db2.gz LMYNTSTYHXKGCA-UHFFFAOYSA-N 1 0 365.855 4.546 20 0 FJADRO C[NH+](C)[C@@H]1CCCN(c2nc(Cl)nc3sc(-c4ccccc4)cc32)C1 ZINC001165034299 721893940 /nfs/dbraw/zinc/89/39/40/721893940.db2.gz BJQUDBMPSXEPKY-CQSZACIVSA-N 1 0 372.925 4.542 20 0 FJADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)C1 ZINC001165037257 721899739 /nfs/dbraw/zinc/89/97/39/721899739.db2.gz LXGLEGNDWIZSSO-ZDUSSCGKSA-N 1 0 371.884 4.539 20 0 FJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCC[C@H]2c2cccnc2)nc1 ZINC001165048187 721964065 /nfs/dbraw/zinc/96/40/65/721964065.db2.gz XKZVTSNCDATATC-RTWAWAEBSA-N 1 0 350.510 4.755 20 0 FJADRO CC[NH+](CC)C1CCN(c2cc(Cl)nc3cc(Cl)ccc32)CC1 ZINC001165054337 722002018 /nfs/dbraw/zinc/00/20/18/722002018.db2.gz YFCANWFJVZGKEC-UHFFFAOYSA-N 1 0 352.309 4.852 20 0 FJADRO CC[NH+](CC)C1CCN(c2nc(C)nc3sc4c(c32)CCCCC4)CC1 ZINC001165053126 722006089 /nfs/dbraw/zinc/00/60/89/722006089.db2.gz KBQBNRNTQMYABN-UHFFFAOYSA-N 1 0 372.582 4.579 20 0 FJADRO CC[NH+](CC)C1CCN(c2c(Cl)ccc3ccc(Cl)nc32)CC1 ZINC001165054683 722007449 /nfs/dbraw/zinc/00/74/49/722007449.db2.gz XRAINJZJVRJGLK-UHFFFAOYSA-N 1 0 352.309 4.852 20 0 FJADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000110303166 209322039 /nfs/dbraw/zinc/32/20/39/209322039.db2.gz RAPXUOVXRITZMX-SFHVURJKSA-N 1 0 368.496 4.724 20 0 FJADRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cccc(Cl)c1Cl ZINC000109350534 209303290 /nfs/dbraw/zinc/30/32/90/209303290.db2.gz UPNFIIBAYBGSGT-UHFFFAOYSA-N 1 0 369.336 4.768 20 0 FJADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1ccccc1Cl ZINC000107586861 209278090 /nfs/dbraw/zinc/27/80/90/209278090.db2.gz YESGKCPLQFQCEJ-KRWDZBQOSA-N 1 0 370.924 4.573 20 0 FJADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c(F)cccc1Cl ZINC000107604766 209277106 /nfs/dbraw/zinc/27/71/06/209277106.db2.gz JQBCCJUBCXJJBW-HNNXBMFYSA-N 1 0 374.887 4.784 20 0 FJADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)C1 ZINC000107592185 209277188 /nfs/dbraw/zinc/27/71/88/209277188.db2.gz GBCUEWYRGUQDSY-AWEZNQCLSA-N 1 0 360.860 4.963 20 0 FJADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1ccc(Cl)cc1 ZINC000107585061 209277049 /nfs/dbraw/zinc/27/70/49/209277049.db2.gz BIUIJDGUXDOQTO-KRWDZBQOSA-N 1 0 370.924 4.573 20 0 FJADRO O=C(N[C@H]1CCSc2ccccc21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000018134446 220225064 /nfs/dbraw/zinc/22/50/64/220225064.db2.gz GVEDBNAIUSXEQV-FQEVSTJZSA-N 1 0 366.530 4.639 20 0 FJADRO Brc1csc(C[NH2+]Cc2ccc(Br)s2)c1 ZINC000037985188 220845412 /nfs/dbraw/zinc/84/54/12/220845412.db2.gz UHWVOYLSSMJSLQ-UHFFFAOYSA-N 1 0 367.131 4.624 20 0 FJADRO COc1ccccc1N1CC[NH+](Cc2ccccc2-c2ccccc2C)CC1 ZINC000096910029 132226279 /nfs/dbraw/zinc/22/62/79/132226279.db2.gz GAIFFACGCZRTSQ-UHFFFAOYSA-N 1 0 372.512 4.993 20 0 FJADRO CC[NH+](CC)Cc1ccc(CNC(=O)NC(C)(C)c2cccc(C)c2)cc1 ZINC000605952717 567842372 /nfs/dbraw/zinc/84/23/72/567842372.db2.gz LJXGKWKAFXRWDZ-UHFFFAOYSA-N 1 0 367.537 4.571 20 0 FJADRO Cc1cc(C)c(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(C)c1 ZINC000043150678 567850907 /nfs/dbraw/zinc/85/09/07/567850907.db2.gz UVKDSUDUGDQCEY-FQEVSTJZSA-N 1 0 351.494 4.570 20 0 FJADRO Cc1ccc(-c2ccsc2C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000150806051 567875685 /nfs/dbraw/zinc/87/56/85/567875685.db2.gz SUIAJKGSFMLELY-IBGZPJMESA-N 1 0 368.546 4.814 20 0 FJADRO Cc1ccc(C)c(SCC(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000601959655 567886777 /nfs/dbraw/zinc/88/67/77/567886777.db2.gz HNRJGDBZNLPTRY-UHFFFAOYSA-N 1 0 368.546 4.523 20 0 FJADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)ccc1OC(F)F ZINC000602562568 567991891 /nfs/dbraw/zinc/99/18/91/567991891.db2.gz ABWPGRSQWSWUAN-QWRGUYRKSA-N 1 0 357.347 4.987 20 0 FJADRO C[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000602567261 567995762 /nfs/dbraw/zinc/99/57/62/567995762.db2.gz MAURYOOQPMOLBY-STQMWFEESA-N 1 0 373.294 4.746 20 0 FJADRO CC[C@H](C)Oc1cc(C[NH2+][C@@H](C)Cc2cccc(OC)c2)ccc1OC ZINC000602909527 568010882 /nfs/dbraw/zinc/01/08/82/568010882.db2.gz YFLWOHZJRJZQDV-IRXDYDNUSA-N 1 0 357.494 4.602 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000602910968 568011138 /nfs/dbraw/zinc/01/11/38/568011138.db2.gz PWWILIPXICECHO-CQSZACIVSA-N 1 0 360.876 4.686 20 0 FJADRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)C1CCC(C)CC1 ZINC000602911917 568011409 /nfs/dbraw/zinc/01/14/09/568011409.db2.gz NKQDNIFAOOBFNG-PZYUZEHPSA-N 1 0 364.533 4.680 20 0 FJADRO C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000602660318 568012131 /nfs/dbraw/zinc/01/21/31/568012131.db2.gz QYHNSWHPAAGWEB-LQWHRVPQSA-N 1 0 358.526 4.595 20 0 FJADRO CSC1CC[NH+]([C@H](C)c2nnc(-c3ccc4ccccc4c3)o2)CC1 ZINC000602919638 568013012 /nfs/dbraw/zinc/01/30/12/568013012.db2.gz JALLXXJXVDLXIL-CQSZACIVSA-N 1 0 353.491 4.778 20 0 FJADRO CSC1CC[NH+]([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000602921456 568013239 /nfs/dbraw/zinc/01/32/39/568013239.db2.gz ZRNBOZIPMCGUBP-SNVBAGLBSA-N 1 0 372.321 4.932 20 0 FJADRO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC000218954418 568019332 /nfs/dbraw/zinc/01/93/32/568019332.db2.gz KQTZZGGFKOCSJK-VHSXEESVSA-N 1 0 356.251 4.764 20 0 FJADRO C[C@H](C1CC1)[N@H+](Cc1coc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000521428131 568024912 /nfs/dbraw/zinc/02/49/12/568024912.db2.gz VYSNCFMYQNGVOS-GFCCVEGCSA-N 1 0 361.283 4.867 20 0 FJADRO COc1ccc(C[NH2+][C@H](c2ccc(C)cc2)C2CCC2)c(OC)c1OC ZINC000187026362 568049555 /nfs/dbraw/zinc/04/95/55/568049555.db2.gz BOIHQURCZLIZPB-FQEVSTJZSA-N 1 0 355.478 4.652 20 0 FJADRO c1sc(N2CCCC2)nc1CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000522757405 568052019 /nfs/dbraw/zinc/05/20/19/568052019.db2.gz FPSUACQHJMXNJL-UHFFFAOYSA-N 1 0 363.530 4.743 20 0 FJADRO Cc1ccc([C@H](C)C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000151999184 568064462 /nfs/dbraw/zinc/06/44/62/568064462.db2.gz GGLLPTFLPAMZNU-QGZVFWFLSA-N 1 0 370.924 4.646 20 0 FJADRO CC(C)c1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000043231437 568068231 /nfs/dbraw/zinc/06/82/31/568068231.db2.gz LANLOJOYIFQJHP-UHFFFAOYSA-N 1 0 351.494 4.596 20 0 FJADRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000067504160 568076324 /nfs/dbraw/zinc/07/63/24/568076324.db2.gz AVCVJIDTBCPFPF-KRWDZBQOSA-N 1 0 370.905 4.924 20 0 FJADRO C[NH+](C)CCN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)C1CCCC1 ZINC000603271077 568081232 /nfs/dbraw/zinc/08/12/32/568081232.db2.gz ZNSVWGZIFAQGFR-UHFFFAOYSA-N 1 0 370.468 4.564 20 0 FJADRO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(Cl)c1Cl ZINC000522766060 568087634 /nfs/dbraw/zinc/08/76/34/568087634.db2.gz AWEZAWWQJKOFGT-LLVKDONJSA-N 1 0 372.340 4.663 20 0 FJADRO COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H](C)c3cccnc3)cc2)c1 ZINC000068478310 568088905 /nfs/dbraw/zinc/08/89/05/568088905.db2.gz WKOJHAOPNHHWNT-MRXNPFEDSA-N 1 0 364.445 4.742 20 0 FJADRO COc1ccc(COCC[NH2+][C@@H](c2cccnc2)C2CCCCC2)cc1 ZINC000603410494 568097873 /nfs/dbraw/zinc/09/78/73/568097873.db2.gz DQGDIKPSNNFILF-JOCHJYFZSA-N 1 0 354.494 4.518 20 0 FJADRO C[C@@H]([NH2+]C1(CNC(=O)c2cc3ccsc3[nH]2)CCCC1)c1ccccc1 ZINC000603471432 568103220 /nfs/dbraw/zinc/10/32/20/568103220.db2.gz YTDXFZXCCGIZEL-OAHLLOKOSA-N 1 0 367.518 4.623 20 0 FJADRO C[C@H](C[C@H]1CCCO1)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000603512677 568110907 /nfs/dbraw/zinc/11/09/07/568110907.db2.gz CXAAERYAYOIZDI-MLGOLLRUSA-N 1 0 370.440 4.876 20 0 FJADRO C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000603512678 568110962 /nfs/dbraw/zinc/11/09/62/568110962.db2.gz CXAAERYAYOIZDI-WBMJQRKESA-N 1 0 370.440 4.876 20 0 FJADRO Cc1ccc(OCc2nc(C[NH2+]CCc3cccc(F)c3F)cs2)cc1 ZINC000603513901 568111315 /nfs/dbraw/zinc/11/13/15/568111315.db2.gz MSDFKDRYRQBQBC-UHFFFAOYSA-N 1 0 374.456 4.641 20 0 FJADRO FC(F)Oc1ccc2ccccc2c1C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000603516551 568111756 /nfs/dbraw/zinc/11/17/56/568111756.db2.gz XTPRDJWUFMTHJA-OAQYLSRUSA-N 1 0 369.411 4.845 20 0 FJADRO O=C(NCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)c1cccs1 ZINC000603518181 568112064 /nfs/dbraw/zinc/11/20/64/568112064.db2.gz BGBKNKWLAARTAB-UHFFFAOYSA-N 1 0 374.893 4.571 20 0 FJADRO c1nn2ccccc2c1C[NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000603518674 568112083 /nfs/dbraw/zinc/11/20/83/568112083.db2.gz IQIIVUKNXGQCHF-OAQYLSRUSA-N 1 0 355.441 4.615 20 0 FJADRO CCc1ccccc1NC(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000043402896 568126863 /nfs/dbraw/zinc/12/68/63/568126863.db2.gz ZUQUYINKVBNAHE-UHFFFAOYSA-N 1 0 359.539 4.686 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc3sccc3s2)C1 ZINC000603686259 568135476 /nfs/dbraw/zinc/13/54/76/568135476.db2.gz QHBFOBXQVZKFIP-HUUCEWRRSA-N 1 0 362.564 4.689 20 0 FJADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000603687106 568135651 /nfs/dbraw/zinc/13/56/51/568135651.db2.gz JXKBAERQMDVIGW-HOTGVXAUSA-N 1 0 374.525 4.767 20 0 FJADRO CC(C)Cc1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000603689598 568135945 /nfs/dbraw/zinc/13/59/45/568135945.db2.gz DDEDVNSDLGVQFZ-CTNGQTDRSA-N 1 0 356.554 4.612 20 0 FJADRO C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000603723782 568142385 /nfs/dbraw/zinc/14/23/85/568142385.db2.gz PGXMXXMGQAYTED-OAHLLOKOSA-N 1 0 365.864 4.838 20 0 FJADRO CC[C@H](CC1CCCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000603863125 568172092 /nfs/dbraw/zinc/17/20/92/568172092.db2.gz RFTABFOIVLBJIE-FGZHOGPDSA-N 1 0 356.554 4.621 20 0 FJADRO CC[C@@H](CC1CCCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000603863126 568172120 /nfs/dbraw/zinc/17/21/20/568172120.db2.gz RFTABFOIVLBJIE-VXKWHMMOSA-N 1 0 356.554 4.621 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccnc(Oc3ccccc3)c2)o1 ZINC000603883953 568176768 /nfs/dbraw/zinc/17/67/68/568176768.db2.gz MEXWFPIYBHZPKU-UHFFFAOYSA-N 1 0 365.433 4.561 20 0 FJADRO CCSCc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000603949269 568186873 /nfs/dbraw/zinc/18/68/73/568186873.db2.gz AKVJUWIMBROBKX-GOSISDBHSA-N 1 0 374.575 4.568 20 0 FJADRO Fc1ccc(C2(C[NH2+]Cc3nccn3Cc3ccccc3)CCCC2)cc1 ZINC000604063433 568205052 /nfs/dbraw/zinc/20/50/52/568205052.db2.gz TVYJWHFTIAEICQ-UHFFFAOYSA-N 1 0 363.480 4.672 20 0 FJADRO Cc1cc(-c2noc([C@H](C)[NH2+]CC(C)(C)Oc3ccccc3)n2)ccc1F ZINC000604065284 568205389 /nfs/dbraw/zinc/20/53/89/568205389.db2.gz CXFSRNFOMGNOJN-HNNXBMFYSA-N 1 0 369.440 4.692 20 0 FJADRO CCCOc1cccc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000604069951 568206171 /nfs/dbraw/zinc/20/61/71/568206171.db2.gz RRUOVEBKORWTCJ-UHFFFAOYSA-N 1 0 371.868 4.511 20 0 FJADRO CCCC[N@H+](Cc1nc(-c2ccccn2)no1)[C@@H](CC)c1ccccc1 ZINC000604052856 568206903 /nfs/dbraw/zinc/20/69/03/568206903.db2.gz SLFKFYAFGNXFGR-IBGZPJMESA-N 1 0 350.466 4.885 20 0 FJADRO CCOc1c(Cl)cc(C[NH2+]CC(C)(C)Oc2ccccc2)cc1OC ZINC000604079259 568208506 /nfs/dbraw/zinc/20/85/06/568208506.db2.gz DIFLLWFJMZXACS-UHFFFAOYSA-N 1 0 363.885 4.695 20 0 FJADRO CC(C)c1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604089172 568210171 /nfs/dbraw/zinc/21/01/71/568210171.db2.gz UKPAWZYXNCYGKX-LJQANCHMSA-N 1 0 351.494 4.596 20 0 FJADRO CCN(Cc1cccs1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604207025 568225586 /nfs/dbraw/zinc/22/55/86/568225586.db2.gz XQLANMRSWWROAV-HXUWFJFHSA-N 1 0 371.550 4.507 20 0 FJADRO CC(C)(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccs1 ZINC000604224080 568228905 /nfs/dbraw/zinc/22/89/05/568228905.db2.gz RRHFMHOYWOZGHL-UHFFFAOYSA-N 1 0 356.535 4.693 20 0 FJADRO Cc1ccc([C@H](C[NH2+][C@H]2CCSc3c(F)cccc32)N2CCCC2)o1 ZINC000482018144 568229136 /nfs/dbraw/zinc/22/91/36/568229136.db2.gz QSSIKVOABUDBOI-ROUUACIJSA-N 1 0 360.498 4.691 20 0 FJADRO C[C@H](c1ccccc1)[N@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000302746117 568234228 /nfs/dbraw/zinc/23/42/28/568234228.db2.gz YJJDJZMFKMZRDT-LJQANCHMSA-N 1 0 362.473 4.501 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)cc1)C1CC1 ZINC000604258007 568239068 /nfs/dbraw/zinc/23/90/68/568239068.db2.gz QDSDXVSCVNPCCQ-PGRDOPGGSA-N 1 0 362.517 4.689 20 0 FJADRO CC1CC[NH+]([C@@H](CNC(=O)C(C)(C)c2cccs2)c2ccccc2)CC1 ZINC000604317939 568246431 /nfs/dbraw/zinc/24/64/31/568246431.db2.gz RXCARMNEZNCVIS-IBGZPJMESA-N 1 0 370.562 4.615 20 0 FJADRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)C1(c2cccc(F)c2)CC1 ZINC000604320561 568246825 /nfs/dbraw/zinc/24/68/25/568246825.db2.gz YZSSKEUVJOERCT-UHFFFAOYSA-N 1 0 366.480 4.872 20 0 FJADRO CC(C)(C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccs1 ZINC000604320948 568246894 /nfs/dbraw/zinc/24/68/94/568246894.db2.gz NVJKYGOLNHPNLS-UHFFFAOYSA-N 1 0 370.562 4.718 20 0 FJADRO CC1CCC(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000604308188 568247802 /nfs/dbraw/zinc/24/78/02/568247802.db2.gz RCGPGNQJPKVYJQ-UHFFFAOYSA-N 1 0 362.945 4.637 20 0 FJADRO Cc1c2cc(Cl)ccc2oc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000604342509 568262947 /nfs/dbraw/zinc/26/29/47/568262947.db2.gz ZVNJGTTXKHONFM-UHFFFAOYSA-N 1 0 374.843 4.525 20 0 FJADRO C[N@H+](Cc1ccccc1NCC(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000007977034 568272911 /nfs/dbraw/zinc/27/29/11/568272911.db2.gz JBLCUFLVJIRQCI-UHFFFAOYSA-N 1 0 369.484 4.641 20 0 FJADRO FC(F)Oc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1Cl ZINC000604416723 568275032 /nfs/dbraw/zinc/27/50/32/568275032.db2.gz BCUUHHASKRECGI-OAHLLOKOSA-N 1 0 366.839 4.700 20 0 FJADRO Cc1c2ccccc2oc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000604417011 568275163 /nfs/dbraw/zinc/27/51/63/568275163.db2.gz XFUNWROLWPUKTM-UHFFFAOYSA-N 1 0 357.837 4.846 20 0 FJADRO Fc1ccc(-c2nc(C[NH2+][C@@H]3CCCN(c4ccccc4)C3)cs2)cc1 ZINC000604416892 568275200 /nfs/dbraw/zinc/27/52/00/568275200.db2.gz NCIZKZHYNRXMHU-GOSISDBHSA-N 1 0 367.493 4.708 20 0 FJADRO CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccccc3)c2)[C@@H](C)C1 ZINC000604417993 568276086 /nfs/dbraw/zinc/27/60/86/568276086.db2.gz BAWJANUUTXKLLF-RDPSFJRHSA-N 1 0 366.549 4.580 20 0 FJADRO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000303438850 568278155 /nfs/dbraw/zinc/27/81/55/568278155.db2.gz HINUEMOARRGRGH-QZTJIDSGSA-N 1 0 362.395 4.509 20 0 FJADRO O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000303446420 568278995 /nfs/dbraw/zinc/27/89/95/568278995.db2.gz HCOAARGDAXVIPJ-JOCHJYFZSA-N 1 0 371.569 4.622 20 0 FJADRO COCCOc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)cc1 ZINC000604415126 568280138 /nfs/dbraw/zinc/28/01/38/568280138.db2.gz SXAKMVUZKCVGRQ-UHFFFAOYSA-N 1 0 369.436 4.709 20 0 FJADRO COC1CCC([N@H+](C)Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000604392754 568282913 /nfs/dbraw/zinc/28/29/13/568282913.db2.gz SWQVBMWLSHISRV-UHFFFAOYSA-N 1 0 364.942 4.777 20 0 FJADRO Cc1sc2nc([C@H](C)[N@@H+]3C[C@@H](c4ccccc4)C[C@H]3C)nc(N)c2c1C ZINC000604393905 568283702 /nfs/dbraw/zinc/28/37/02/568283702.db2.gz QLAQENNSSBCOIA-IFIJOSMWSA-N 1 0 366.534 4.829 20 0 FJADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(C)c2C)cc1 ZINC000604426099 568283715 /nfs/dbraw/zinc/28/37/15/568283715.db2.gz BMVXHHBFDYYZRH-IBGZPJMESA-N 1 0 367.537 4.706 20 0 FJADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(F)c(Cl)cc1Cl ZINC000028170663 568284820 /nfs/dbraw/zinc/28/48/20/568284820.db2.gz WEKPKAOQZUEZKZ-UHFFFAOYSA-N 1 0 367.251 4.981 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000604384892 568288089 /nfs/dbraw/zinc/28/80/89/568288089.db2.gz YMODIYLONSPJPP-UHFFFAOYSA-N 1 0 374.550 4.632 20 0 FJADRO CC1CCC([NH+]2CCN(C(=O)Nc3ccccc3C(C)(C)C)CC2)CC1 ZINC000604609598 568326757 /nfs/dbraw/zinc/32/67/57/568326757.db2.gz TUVWCRIULRGCTA-UHFFFAOYSA-N 1 0 357.542 4.712 20 0 FJADRO CC(C)[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1Cl ZINC000604657087 568339965 /nfs/dbraw/zinc/33/99/65/568339965.db2.gz BLBCZPZBTXCOLL-GOSISDBHSA-N 1 0 365.949 4.553 20 0 FJADRO Cc1ccccc1[C@@H](C)CC(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000604701283 568347878 /nfs/dbraw/zinc/34/78/78/568347878.db2.gz KXSKHBQCADRNQE-IBGZPJMESA-N 1 0 350.506 4.616 20 0 FJADRO Cc1ccccc1[C@H](C)CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000604697773 568351381 /nfs/dbraw/zinc/35/13/81/568351381.db2.gz CJMBRQCAUHGWIJ-HXUWFJFHSA-N 1 0 364.533 4.791 20 0 FJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3)[nH]2)CC1 ZINC000604712521 568354985 /nfs/dbraw/zinc/35/49/85/568354985.db2.gz CXYLIYZJANVJKV-SFHVURJKSA-N 1 0 373.500 4.637 20 0 FJADRO CCSc1ccccc1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000604712594 568355073 /nfs/dbraw/zinc/35/50/73/568355073.db2.gz GEULZZUPCXRKHH-KRWDZBQOSA-N 1 0 368.546 4.754 20 0 FJADRO CC(C)Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000604713492 568355217 /nfs/dbraw/zinc/35/52/17/568355217.db2.gz FPHFDWFQBVTQDB-IBGZPJMESA-N 1 0 364.533 4.841 20 0 FJADRO CCc1ccc(CCC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000604713882 568355289 /nfs/dbraw/zinc/35/52/89/568355289.db2.gz LYVOBNAXQLAQHZ-IBGZPJMESA-N 1 0 364.533 4.523 20 0 FJADRO Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000604744439 568355960 /nfs/dbraw/zinc/35/59/60/568355960.db2.gz OYAUISRYCXZYKC-NHCUHLMSSA-N 1 0 356.554 4.603 20 0 FJADRO CC(C)[C@@H](CC1CCCC1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000604744982 568356038 /nfs/dbraw/zinc/35/60/38/568356038.db2.gz VMPIURXJNFUXLT-XZOQPEGZSA-N 1 0 370.581 4.520 20 0 FJADRO C[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1c(Cl)cccc1Cl ZINC000604727646 568357066 /nfs/dbraw/zinc/35/70/66/568357066.db2.gz HLDOCGHPVYDCPW-WFASDCNBSA-N 1 0 359.341 4.580 20 0 FJADRO CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H](C)c2ccccc2C)cc1 ZINC000604737962 568359031 /nfs/dbraw/zinc/35/90/31/568359031.db2.gz BDGJAFKNXZDHRG-IBGZPJMESA-N 1 0 352.522 4.647 20 0 FJADRO CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H](C)c2ccccc2C)cc1 ZINC000604737963 568359061 /nfs/dbraw/zinc/35/90/61/568359061.db2.gz BDGJAFKNXZDHRG-LJQANCHMSA-N 1 0 352.522 4.647 20 0 FJADRO Cc1ccc([C@@H]2CSCCN2CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000604761745 568361345 /nfs/dbraw/zinc/36/13/45/568361345.db2.gz VSQWXULEMCLRJC-NRFANRHFSA-N 1 0 368.546 4.847 20 0 FJADRO COc1ccc(C2([NH2+]Cc3cc4c(cc3OC)C[C@@H](C)O4)CCCC2)cc1 ZINC000604765067 568361771 /nfs/dbraw/zinc/36/17/71/568361771.db2.gz NBPMUXPTZHLSKG-MRXNPFEDSA-N 1 0 367.489 4.586 20 0 FJADRO OC[C@H]([NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000604765089 568361798 /nfs/dbraw/zinc/36/17/98/568361798.db2.gz ACPDRWBGEKXIAE-QHCPKHFHSA-N 1 0 356.469 4.513 20 0 FJADRO C[C@@H]([NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)C(C)(C)O ZINC000604765584 568361823 /nfs/dbraw/zinc/36/18/23/568361823.db2.gz UNINCAMFRZOGFV-CYBMUJFWSA-N 1 0 353.384 4.747 20 0 FJADRO C[C@](CO)([NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1)c1ccccc1 ZINC000604765618 568361827 /nfs/dbraw/zinc/36/18/27/568361827.db2.gz ZISQYTKXANESMS-JOCHJYFZSA-N 1 0 369.411 4.754 20 0 FJADRO COc1ccc(C2([NH2+]Cc3cc(OC)cc4c3O[C@@H](C)C4)CCCC2)cc1 ZINC000604765562 568361869 /nfs/dbraw/zinc/36/18/69/568361869.db2.gz SZGNFKMJHLZGJS-INIZCTEOSA-N 1 0 367.489 4.586 20 0 FJADRO Cc1ccccc1-c1cccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000604766661 568362098 /nfs/dbraw/zinc/36/20/98/568362098.db2.gz NCOYPFQMIPIYHJ-JOCHJYFZSA-N 1 0 370.496 4.837 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)o1 ZINC000604767878 568362466 /nfs/dbraw/zinc/36/24/66/568362466.db2.gz DUGQSBQTTVFMHO-KKSFZXQISA-N 1 0 353.437 4.648 20 0 FJADRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000604768283 568362527 /nfs/dbraw/zinc/36/25/27/568362527.db2.gz MZHILNPXLTWKNC-CYFREDJKSA-N 1 0 361.485 4.520 20 0 FJADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000604768286 568362533 /nfs/dbraw/zinc/36/25/33/568362533.db2.gz MZHILNPXLTWKNC-NTKDMRAZSA-N 1 0 361.485 4.520 20 0 FJADRO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)o1 ZINC000604768417 568362565 /nfs/dbraw/zinc/36/25/65/568362565.db2.gz QAOKVDGXAPOWBQ-QVKFZJNVSA-N 1 0 353.437 4.648 20 0 FJADRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC000604769519 568362825 /nfs/dbraw/zinc/36/28/25/568362825.db2.gz HWIWJSJIQYFSAY-FGZHOGPDSA-N 1 0 350.506 4.527 20 0 FJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H]2C2CCCC2)CC1 ZINC000604788347 568367034 /nfs/dbraw/zinc/36/70/34/568367034.db2.gz RTGPFMHYZHELDM-AVRDEDQJSA-N 1 0 369.553 4.576 20 0 FJADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1C ZINC000604791547 568367576 /nfs/dbraw/zinc/36/75/76/568367576.db2.gz WZFJJSZLMOWDNA-GOSISDBHSA-N 1 0 351.494 4.651 20 0 FJADRO CCCCN(CCCC)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000604823278 568370336 /nfs/dbraw/zinc/37/03/36/568370336.db2.gz XNVOOIIZKYCALN-IBGZPJMESA-N 1 0 359.558 4.824 20 0 FJADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(OC3CCCCC3)cc2)CC1 ZINC000604803673 568371272 /nfs/dbraw/zinc/37/12/72/568371272.db2.gz TWKWGWDUQXVOPP-UHFFFAOYSA-N 1 0 373.541 4.783 20 0 FJADRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C(C)(C)C ZINC000604827832 568374235 /nfs/dbraw/zinc/37/42/35/568374235.db2.gz ZLAGVJYTEXONGC-QGZVFWFLSA-N 1 0 374.529 4.613 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)o1 ZINC000604849895 568377303 /nfs/dbraw/zinc/37/73/03/568377303.db2.gz RFUJHWNXJWRJPE-UHFFFAOYSA-N 1 0 356.510 4.607 20 0 FJADRO CC[C@@H](C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000604860597 568379137 /nfs/dbraw/zinc/37/91/37/568379137.db2.gz HMSRXERYZCZNRO-AUSIDOKSSA-N 1 0 364.533 4.729 20 0 FJADRO CC[C@H](C)[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000604860598 568379149 /nfs/dbraw/zinc/37/91/49/568379149.db2.gz HMSRXERYZCZNRO-CVDCTZTESA-N 1 0 364.533 4.729 20 0 FJADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 ZINC000604866327 568380268 /nfs/dbraw/zinc/38/02/68/568380268.db2.gz IQGCUBRLFNIEOJ-KNQAVFIVSA-N 1 0 358.570 4.787 20 0 FJADRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2cnc(C)s2)cc1 ZINC000604892226 568382018 /nfs/dbraw/zinc/38/20/18/568382018.db2.gz KWWXRLQMBWLEOR-VQTJNVASSA-N 1 0 360.523 4.720 20 0 FJADRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)C(=O)Nc1ccccc1 ZINC000604891887 568382020 /nfs/dbraw/zinc/38/20/20/568382020.db2.gz FIQMDCKBISEGHW-APWZRJJASA-N 1 0 350.487 4.649 20 0 FJADRO C[C@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)C(=O)Nc1ccccc1 ZINC000604891889 568382035 /nfs/dbraw/zinc/38/20/35/568382035.db2.gz FIQMDCKBISEGHW-QFBILLFUSA-N 1 0 350.487 4.649 20 0 FJADRO CCc1ccc([C@@H](C)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cc1 ZINC000604874117 568382640 /nfs/dbraw/zinc/38/26/40/568382640.db2.gz QHAOKBAURVZBAO-OAHLLOKOSA-N 1 0 374.912 4.585 20 0 FJADRO CC(C)N(C(=O)[C@@H](C)[NH2+][C@@H](Cc1ccccc1)c1cccs1)C(C)C ZINC000604892610 568383137 /nfs/dbraw/zinc/38/31/37/568383137.db2.gz YVHFPCZPGKXZCJ-MJGOQNOKSA-N 1 0 358.551 4.655 20 0 FJADRO Fc1ccc(CC[N@H+](CCCc2nc(-c3cccs3)no2)C2CC2)cc1 ZINC000604903056 568385325 /nfs/dbraw/zinc/38/53/25/568385325.db2.gz FGJDFBYRVXAGLK-UHFFFAOYSA-N 1 0 371.481 4.577 20 0 FJADRO CC[NH+](CC)CC1CCN(C(=O)NCCCc2ccc(C(C)C)cc2)CC1 ZINC000604921907 568390729 /nfs/dbraw/zinc/39/07/29/568390729.db2.gz TXUVPDQJMCTGBQ-UHFFFAOYSA-N 1 0 373.585 4.506 20 0 FJADRO C[NH+](C)Cc1ccc(C(=O)Nc2nc(/C=C/c3ccccc3)cs2)cc1 ZINC000604963144 568428597 /nfs/dbraw/zinc/42/85/97/568428597.db2.gz ZRXGCJWGVZHJMO-JLHYYAGUSA-N 1 0 363.486 4.627 20 0 FJADRO CCC[N@H+](Cc1ccc(CC)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000604997973 568508187 /nfs/dbraw/zinc/50/81/87/568508187.db2.gz XCAVJMDFQOQTRS-UHFFFAOYSA-N 1 0 364.533 4.766 20 0 FJADRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc2c(cnn2C(C)C)c1)c1ccccc1 ZINC000604991935 568509981 /nfs/dbraw/zinc/50/99/81/568509981.db2.gz SVMYEZARWFBZKG-OAQYLSRUSA-N 1 0 364.493 4.639 20 0 FJADRO CNC(=O)c1cccc(C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000605000364 568513858 /nfs/dbraw/zinc/51/38/58/568513858.db2.gz LKFBOQUXCUMBHK-FQEVSTJZSA-N 1 0 356.897 4.817 20 0 FJADRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2)ccc1SC ZINC000605009222 568516233 /nfs/dbraw/zinc/51/62/33/568516233.db2.gz WRXAJILSWIDGOP-SFHVURJKSA-N 1 0 374.525 4.623 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1F ZINC000605022198 568525525 /nfs/dbraw/zinc/52/55/25/568525525.db2.gz WNXWALDFQKBVBV-GOSISDBHSA-N 1 0 372.459 4.543 20 0 FJADRO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3C(C)C)o2)cc1 ZINC000605026144 568531124 /nfs/dbraw/zinc/53/11/24/568531124.db2.gz CUIWQUHQWPRQLT-IBGZPJMESA-N 1 0 357.498 4.926 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)o1 ZINC000605113636 568571645 /nfs/dbraw/zinc/57/16/45/568571645.db2.gz QNDYQXVRJWWBPD-GFCCVEGCSA-N 1 0 369.292 4.919 20 0 FJADRO Cc1ccccc1-n1nccc1CN[C@@H](c1nccs1)c1ccccc1 ZINC000365389472 568593858 /nfs/dbraw/zinc/59/38/58/568593858.db2.gz YEBZJQYFHVWPFX-HXUWFJFHSA-N 1 0 360.486 4.516 20 0 FJADRO FC(F)(F)COc1ccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000605154211 568598360 /nfs/dbraw/zinc/59/83/60/568598360.db2.gz LNPQAGANVDEBDF-SFHVURJKSA-N 1 0 367.436 4.918 20 0 FJADRO CC(C)(C)c1ccccc1NC(=O)CN1CCS[C@H](c2ccccc2)C1 ZINC000605155528 568600645 /nfs/dbraw/zinc/60/06/45/568600645.db2.gz UCRSNVGJUILYKG-FQEVSTJZSA-N 1 0 368.546 4.713 20 0 FJADRO Clc1cccc(-c2nnc(CN3CCS[C@H](c4ccccc4)C3)o2)c1 ZINC000605156212 568601862 /nfs/dbraw/zinc/60/18/62/568601862.db2.gz NMQILMBKZAMWNK-KRWDZBQOSA-N 1 0 371.893 4.680 20 0 FJADRO O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000606155868 568675874 /nfs/dbraw/zinc/67/58/74/568675874.db2.gz XDRKIQAWXAKYIT-OAHLLOKOSA-N 1 0 352.384 4.612 20 0 FJADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)c1ccsc1)c1ccccc1Cl ZINC000606162289 568680967 /nfs/dbraw/zinc/68/09/67/568680967.db2.gz XNUBMBPCELZBLG-KDOFPFPSSA-N 1 0 364.942 4.704 20 0 FJADRO C[NH+](C)Cc1cccc(NC(=O)c2cccc(OC3CCCCC3)c2)c1 ZINC000606172321 568704867 /nfs/dbraw/zinc/70/48/67/568704867.db2.gz CLCXEFAMOYLENN-UHFFFAOYSA-N 1 0 352.478 4.712 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)NC(c2cccs2)c2cccs2)o1 ZINC000606220369 568735100 /nfs/dbraw/zinc/73/51/00/568735100.db2.gz ZYWBXZFICMHYTA-UHFFFAOYSA-N 1 0 374.531 4.764 20 0 FJADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000022621612 571337029 /nfs/dbraw/zinc/33/70/29/571337029.db2.gz WNDLLLJHNFIUSA-GFCCVEGCSA-N 1 0 370.921 4.934 20 0 FJADRO Cc1ccc(-c2nnc(N3CCC(C[NH+](C)C)CC3)c3ccccc32)cc1C ZINC001165045292 721948928 /nfs/dbraw/zinc/94/89/28/721948928.db2.gz PWEHBPOYBKOPJZ-UHFFFAOYSA-N 1 0 374.532 4.692 20 0 FJADRO CC[NH+](CC)C1CCN(C(F)(F)c2ccc3ccc(Cl)nc3c2)CC1 ZINC001165052618 722002241 /nfs/dbraw/zinc/00/22/41/722002241.db2.gz ACUYPFVGSDENLE-UHFFFAOYSA-N 1 0 367.871 4.744 20 0 FJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc4ccccc4n2)C3)c1 ZINC001164994240 722191758 /nfs/dbraw/zinc/19/17/58/722191758.db2.gz LZENCGKEHQDJRF-HSZRJFAPSA-N 1 0 361.464 4.619 20 0 FJADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000110303162 209321260 /nfs/dbraw/zinc/32/12/60/209321260.db2.gz RAPXUOVXRITZMX-GOSISDBHSA-N 1 0 368.496 4.724 20 0 FJADRO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000110180496 209320298 /nfs/dbraw/zinc/32/02/98/209320298.db2.gz GAIYTYRIDVPWJC-KXBFYZLASA-N 1 0 350.934 4.664 20 0 FJADRO Brc1ccc(C[NH2+]Cc2sccc2Br)s1 ZINC000043675124 209310680 /nfs/dbraw/zinc/31/06/80/209310680.db2.gz YCMQBHMQIUTQCQ-UHFFFAOYSA-N 1 0 367.131 4.624 20 0 FJADRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c(Cl)c1 ZINC000109016967 209295455 /nfs/dbraw/zinc/29/54/55/209295455.db2.gz MIQBJWQDZAIQLY-INIZCTEOSA-N 1 0 360.860 4.638 20 0 FJADRO c1ccc2c(c1)COC21CC[NH+](Cc2ccc(-c3cccnc3)cc2)CC1 ZINC000040836286 208270993 /nfs/dbraw/zinc/27/09/93/208270993.db2.gz SPVVVSUTWZBZLN-UHFFFAOYSA-N 1 0 356.469 4.770 20 0 FJADRO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1-c1ccccc1 ZINC000022197455 220378536 /nfs/dbraw/zinc/37/85/36/220378536.db2.gz DJGRYHOUSGUCCT-UHFFFAOYSA-N 1 0 356.469 4.741 20 0 FJADRO O=C(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)Nc1c(Cl)cccc1Cl ZINC000022198605 220378867 /nfs/dbraw/zinc/37/88/67/220378867.db2.gz UQHKKYCSDNFWRY-JTQLQIEISA-N 1 0 369.214 4.596 20 0 FJADRO CC1CC[NH+](CCCCNC(=O)N[C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000071935578 208788933 /nfs/dbraw/zinc/78/89/33/208788933.db2.gz VJFNLKDSCGTYQQ-HXUWFJFHSA-N 1 0 359.558 4.585 20 0 FJADRO FC(F)(F)c1nc2ccccc2n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000095076846 209017954 /nfs/dbraw/zinc/01/79/54/209017954.db2.gz ZZLHASAPQXOICP-UHFFFAOYSA-N 1 0 359.395 4.892 20 0 FJADRO COCc1cccc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)c1 ZINC000038010741 263399643 /nfs/dbraw/zinc/39/96/43/263399643.db2.gz VAGABPNHSDWSHJ-LBPRGKRZSA-N 1 0 352.247 4.585 20 0 FJADRO CC(C)[NH+]1CCC(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)CC1 ZINC000461100395 567860272 /nfs/dbraw/zinc/86/02/72/567860272.db2.gz QNEMXNJSHJYZEN-UHFFFAOYSA-N 1 0 363.914 4.522 20 0 FJADRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000521406790 567869099 /nfs/dbraw/zinc/86/90/99/567869099.db2.gz PNYYNNCQDUPHNN-HXUWFJFHSA-N 1 0 354.881 4.523 20 0 FJADRO Cc1c2cc(F)ccc2oc1C(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000601954691 567885003 /nfs/dbraw/zinc/88/50/03/567885003.db2.gz DFAHXCZSVZRJDC-UHFFFAOYSA-N 1 0 366.436 4.621 20 0 FJADRO CC(C)Sc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000601961058 567887357 /nfs/dbraw/zinc/88/73/57/567887357.db2.gz CJTGYNPWDTZHNO-UHFFFAOYSA-N 1 0 368.546 4.928 20 0 FJADRO C[NH+]1CCC(N(C(=O)Cc2cccc3ccccc32)c2ccccc2)CC1 ZINC000601966919 567889319 /nfs/dbraw/zinc/88/93/19/567889319.db2.gz JZCMFICNLLBYDC-UHFFFAOYSA-N 1 0 358.485 4.510 20 0 FJADRO C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C(=O)c1ccccc1 ZINC000602089297 567922268 /nfs/dbraw/zinc/92/22/68/567922268.db2.gz COQSMRMILUNLFI-SFHVURJKSA-N 1 0 364.489 4.520 20 0 FJADRO CC[C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000602093033 567932741 /nfs/dbraw/zinc/93/27/41/567932741.db2.gz GQBZHWHEIHNSFN-ICSRJNTNSA-N 1 0 358.551 4.516 20 0 FJADRO C[C@@H](c1cccc2ccccc21)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000602238793 567954876 /nfs/dbraw/zinc/95/48/76/567954876.db2.gz DPIFTEKAGYJBFS-KRWDZBQOSA-N 1 0 356.473 4.823 20 0 FJADRO Cc1cc(C[NH2+]CCc2ccc(F)cc2F)ccc1Oc1cccnc1 ZINC000602275615 567962350 /nfs/dbraw/zinc/96/23/50/567962350.db2.gz ZMXLWDRMOOAQMQ-UHFFFAOYSA-N 1 0 354.400 4.793 20 0 FJADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)cc1 ZINC000602570201 567996028 /nfs/dbraw/zinc/99/60/28/567996028.db2.gz ALTUOTXEXNJBTE-KBPBESRZSA-N 1 0 361.436 4.907 20 0 FJADRO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000521425758 568003521 /nfs/dbraw/zinc/00/35/21/568003521.db2.gz KUQSXVCSQAWBMS-FQEVSTJZSA-N 1 0 352.478 4.559 20 0 FJADRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CCCC(C)C)c1ccccc1 ZINC000028370748 568005748 /nfs/dbraw/zinc/00/57/48/568005748.db2.gz FGYVNKVKCZCIDU-NRFANRHFSA-N 1 0 354.494 4.709 20 0 FJADRO CCN(CC)[C@@H](C[NH2+]Cc1c(Cl)cccc1OC(F)F)c1ccco1 ZINC000602909650 568010848 /nfs/dbraw/zinc/01/08/48/568010848.db2.gz GITGHIKBJSGENK-HNNXBMFYSA-N 1 0 372.843 4.707 20 0 FJADRO FC(F)Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000602909557 568010855 /nfs/dbraw/zinc/01/08/55/568010855.db2.gz YSAZLQKSOLFJHJ-GFCCVEGCSA-N 1 0 353.796 4.597 20 0 FJADRO CCN(CC)[C@H](C[NH2+]Cc1c(Cl)cccc1OC(F)F)c1ccco1 ZINC000602909651 568010887 /nfs/dbraw/zinc/01/08/87/568010887.db2.gz GITGHIKBJSGENK-OAHLLOKOSA-N 1 0 372.843 4.707 20 0 FJADRO COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)c1 ZINC000602909601 568010915 /nfs/dbraw/zinc/01/09/15/568010915.db2.gz CMZFYCMWDWTMTF-UHFFFAOYSA-N 1 0 360.404 4.685 20 0 FJADRO Cc1ccccc1[C@H]([NH2+]Cc1cnc(N(C)C)nc1)C1CCC(C)CC1 ZINC000602911662 568011280 /nfs/dbraw/zinc/01/12/80/568011280.db2.gz IJAZCQZPXCSQSH-VFIGECHUSA-N 1 0 352.526 4.508 20 0 FJADRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)C1CCC(C)CC1 ZINC000602911913 568011493 /nfs/dbraw/zinc/01/14/93/568011493.db2.gz NKQDNIFAOOBFNG-INYXTNAKSA-N 1 0 364.533 4.680 20 0 FJADRO C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000602660320 568012073 /nfs/dbraw/zinc/01/20/73/568012073.db2.gz QYHNSWHPAAGWEB-OPYAIIAOSA-N 1 0 358.526 4.595 20 0 FJADRO Fc1ccc(C2([NH2+]CCSc3ccc(Cl)cc3)CCOCC2)cc1 ZINC000261450393 568024952 /nfs/dbraw/zinc/02/49/52/568024952.db2.gz QFSJVVSWOXCEPA-UHFFFAOYSA-N 1 0 365.901 4.867 20 0 FJADRO Cc1ccc([C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C2CCC2)cc1 ZINC000186998285 568047262 /nfs/dbraw/zinc/04/72/62/568047262.db2.gz YUNRHSCXRADDQC-XMMPIXPASA-N 1 0 362.517 4.748 20 0 FJADRO C[NH+](C)CCc1ccccc1NC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000446576564 568054611 /nfs/dbraw/zinc/05/46/11/568054611.db2.gz PQLWFFMUDKAESJ-FQEVSTJZSA-N 1 0 371.500 4.839 20 0 FJADRO C[C@@H](CCC(C)(C)C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000605984832 568060584 /nfs/dbraw/zinc/06/05/84/568060584.db2.gz ACMSCUCDDDAIDD-SFHVURJKSA-N 1 0 359.558 4.507 20 0 FJADRO c1c(C[NH+]2CCC(C3CC3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000644836926 568080444 /nfs/dbraw/zinc/08/04/44/568080444.db2.gz LXTAFICOEKAVNN-UHFFFAOYSA-N 1 0 358.489 4.556 20 0 FJADRO COc1cc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)ccc1OC(F)F ZINC000067691116 568080746 /nfs/dbraw/zinc/08/07/46/568080746.db2.gz ZEYSZKZGANCFLA-CQSZACIVSA-N 1 0 365.420 4.935 20 0 FJADRO COc1cc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)ccc1OC(F)F ZINC000067691118 568080757 /nfs/dbraw/zinc/08/07/57/568080757.db2.gz ZEYSZKZGANCFLA-AWEZNQCLSA-N 1 0 365.420 4.935 20 0 FJADRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(OC(F)F)c(OC)c2)c1 ZINC000068840329 568092795 /nfs/dbraw/zinc/09/27/95/568092795.db2.gz YDRAHIIYEGGQAC-CYBMUJFWSA-N 1 0 351.393 4.546 20 0 FJADRO CCOc1c(OC)cc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1OC ZINC000069878432 568098112 /nfs/dbraw/zinc/09/81/12/568098112.db2.gz XOOAJLJAKIEFDO-UHFFFAOYSA-N 1 0 361.869 4.535 20 0 FJADRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000121747866 568110438 /nfs/dbraw/zinc/11/04/38/568110438.db2.gz KIWHZSOCEVSBSO-UGSOOPFHSA-N 1 0 351.899 4.545 20 0 FJADRO CC[C@@H](C)[N@H+](C)CCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000603512635 568110897 /nfs/dbraw/zinc/11/08/97/568110897.db2.gz UESMWFLTQMHOJD-CYBMUJFWSA-N 1 0 371.472 4.649 20 0 FJADRO C[C@@H](C[C@H]1CCCO1)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000603512675 568110900 /nfs/dbraw/zinc/11/09/00/568110900.db2.gz CXAAERYAYOIZDI-BLLLJJGKSA-N 1 0 370.440 4.876 20 0 FJADRO COc1cc(C[NH2+][C@H]2C[C@H](C)c3ccccc32)c(Br)cc1O ZINC000603513476 568111152 /nfs/dbraw/zinc/11/11/52/568111152.db2.gz QRJPENXEDHZGRS-ZBEGNZNMSA-N 1 0 362.267 4.501 20 0 FJADRO COc1cc(C[NH2+][C@@H]2C[C@H](C)c3ccccc32)c(Br)cc1O ZINC000603513475 568111154 /nfs/dbraw/zinc/11/11/54/568111154.db2.gz QRJPENXEDHZGRS-MEDUHNTESA-N 1 0 362.267 4.501 20 0 FJADRO FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+]CC1CCSCC1 ZINC000603515124 568111440 /nfs/dbraw/zinc/11/14/40/568111440.db2.gz OFQXUPHTJXFATA-UHFFFAOYSA-N 1 0 356.265 4.828 20 0 FJADRO CCCCCOc1cc(C[NH2+]C[C@@H]2OCCc3ccccc32)ccc1OC ZINC000603515888 568111549 /nfs/dbraw/zinc/11/15/49/568111549.db2.gz LXXITXWINHZNRE-QHCPKHFHSA-N 1 0 369.505 4.668 20 0 FJADRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(OCC(C)C)cc3)c2c1 ZINC000603516235 568111669 /nfs/dbraw/zinc/11/16/69/568111669.db2.gz QCJSVOOARJMCEJ-UHFFFAOYSA-N 1 0 352.478 4.544 20 0 FJADRO Cc1cc(C[NH2+]Cc2cnc3ccccn23)ccc1Oc1ccc(F)cc1 ZINC000603516586 568111678 /nfs/dbraw/zinc/11/16/78/568111678.db2.gz NNGQNPGEMZJUBZ-UHFFFAOYSA-N 1 0 361.420 4.864 20 0 FJADRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)[C@H]1CCC[C@H](C)C1 ZINC000603517136 568111810 /nfs/dbraw/zinc/11/18/10/568111810.db2.gz VSTVUEVPZCMGRS-CODAWKSHSA-N 1 0 364.533 4.680 20 0 FJADRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)[C@@H]1CCC[C@@H](C)C1 ZINC000603517137 568111817 /nfs/dbraw/zinc/11/18/17/568111817.db2.gz VSTVUEVPZCMGRS-NYQDVAGCSA-N 1 0 364.533 4.680 20 0 FJADRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000603518919 568112909 /nfs/dbraw/zinc/11/29/09/568112909.db2.gz QGHNOEOODZPTHR-AWEZNQCLSA-N 1 0 369.795 4.563 20 0 FJADRO C[C@@H](NC(=O)Nc1cccc(C(C)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187033112 568117073 /nfs/dbraw/zinc/11/70/73/568117073.db2.gz KHSPRHPXDYYQOE-HUUCEWRRSA-N 1 0 365.468 4.573 20 0 FJADRO CC[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000603601519 568124670 /nfs/dbraw/zinc/12/46/70/568124670.db2.gz WKJXIEVUBKJAJH-QFIPXVFZSA-N 1 0 371.569 4.651 20 0 FJADRO Cc1ccc(-c2nnc([C@H](C)N3C[C@H](C)O[C@@H](c4ccccc4)C3)o2)cc1 ZINC000522775894 568132040 /nfs/dbraw/zinc/13/20/40/568132040.db2.gz KTALPRGYSCYNDC-ABSDTBQOSA-N 1 0 363.461 4.568 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000603687105 568135655 /nfs/dbraw/zinc/13/56/55/568135655.db2.gz JXKBAERQMDVIGW-CVEARBPZSA-N 1 0 374.525 4.767 20 0 FJADRO CC(C)Cc1ccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000603689600 568135995 /nfs/dbraw/zinc/13/59/95/568135995.db2.gz DDEDVNSDLGVQFZ-PZJWPPBQSA-N 1 0 356.554 4.612 20 0 FJADRO Cc1ccc(NC(=O)c2cccc(OC3CCCC3)c2)c(C[NH+](C)C)c1 ZINC000603694599 568136713 /nfs/dbraw/zinc/13/67/13/568136713.db2.gz NKSXACUWWUTZFV-UHFFFAOYSA-N 1 0 352.478 4.630 20 0 FJADRO Cc1ccc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c(C[NH+](C)C)c1 ZINC000603694767 568136744 /nfs/dbraw/zinc/13/67/44/568136744.db2.gz IBTQLDLPNJKVBB-KRWDZBQOSA-N 1 0 364.411 4.731 20 0 FJADRO Cc1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)c(C[NH+](C)C)c1 ZINC000603694963 568136803 /nfs/dbraw/zinc/13/68/03/568136803.db2.gz QTXRGBCTMBXDAD-UHFFFAOYSA-N 1 0 352.478 4.630 20 0 FJADRO Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)c(C[NH+](C)C)c1 ZINC000603695119 568136832 /nfs/dbraw/zinc/13/68/32/568136832.db2.gz FLRJGEYJGLVNBM-UHFFFAOYSA-N 1 0 369.852 4.617 20 0 FJADRO CCCc1ccc(-c2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)cc1 ZINC000522780398 568154861 /nfs/dbraw/zinc/15/48/61/568154861.db2.gz HISFHSLQIKEDKO-UHFFFAOYSA-N 1 0 351.494 4.522 20 0 FJADRO CC[C@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)c1ccc(Cl)s1 ZINC000603835255 568159154 /nfs/dbraw/zinc/15/91/54/568159154.db2.gz SWCUVVBWXXZZEU-ZDUSSCGKSA-N 1 0 354.903 4.717 20 0 FJADRO CC(C)(C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)c1cccs1 ZINC000603949627 568186963 /nfs/dbraw/zinc/18/69/63/568186963.db2.gz XLLJCPIVGNVHBU-UHFFFAOYSA-N 1 0 359.926 4.714 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C)c(OC(F)F)c2)cc1 ZINC000604014546 568198921 /nfs/dbraw/zinc/19/89/21/568198921.db2.gz KXYSSWOZWNGMCM-UHFFFAOYSA-N 1 0 362.420 4.691 20 0 FJADRO c1nc(-c2ccccc2)sc1C[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000604069714 568206139 /nfs/dbraw/zinc/20/61/39/568206139.db2.gz CPNYFEHGOMONJN-FQEVSTJZSA-N 1 0 363.530 4.564 20 0 FJADRO Clc1cccc(-c2noc(CC[NH2+]Cc3ccc4ccccc4c3)n2)c1 ZINC000604069815 568206150 /nfs/dbraw/zinc/20/61/50/568206150.db2.gz LXCJFTQAPUJEPL-UHFFFAOYSA-N 1 0 363.848 4.876 20 0 FJADRO Clc1cccc(-c2noc(CC[NH2+]Cc3csc4ccccc34)n2)c1 ZINC000604069971 568206158 /nfs/dbraw/zinc/20/61/58/568206158.db2.gz UDTWEYZHOFSUAH-UHFFFAOYSA-N 1 0 369.877 4.937 20 0 FJADRO CCCCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H](CC)c1ccccc1 ZINC000604075773 568207950 /nfs/dbraw/zinc/20/79/50/568207950.db2.gz ZCVSMWNZSWLHCJ-JOCHJYFZSA-N 1 0 371.569 4.824 20 0 FJADRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000604124460 568213983 /nfs/dbraw/zinc/21/39/83/568213983.db2.gz FWHKZLFATBQPSF-PGRDOPGGSA-N 1 0 366.505 4.592 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000007240602 568219976 /nfs/dbraw/zinc/21/99/76/568219976.db2.gz FPYLWSWFKZAEOL-GFCCVEGCSA-N 1 0 368.905 4.688 20 0 FJADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000007240605 568220019 /nfs/dbraw/zinc/22/00/19/568220019.db2.gz FPYLWSWFKZAEOL-LBPRGKRZSA-N 1 0 368.905 4.688 20 0 FJADRO CC1CCC([N@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000302769664 568235388 /nfs/dbraw/zinc/23/53/88/568235388.db2.gz YEOJMDOVZQGBHO-ZYKWQNGHSA-N 1 0 374.525 4.603 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cc1)C(C)C ZINC000604259411 568239330 /nfs/dbraw/zinc/23/93/30/568239330.db2.gz TWALLFGCBBQOER-AUSIDOKSSA-N 1 0 364.533 4.935 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)cc1)C(C)C ZINC000604259412 568239355 /nfs/dbraw/zinc/23/93/55/568239355.db2.gz TWALLFGCBBQOER-CVDCTZTESA-N 1 0 364.533 4.935 20 0 FJADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC1CCC(C)CC1 ZINC000604281757 568240778 /nfs/dbraw/zinc/24/07/78/568240778.db2.gz WEWDJKULKBVLOS-UHFFFAOYSA-N 1 0 360.567 4.699 20 0 FJADRO CC1CC[NH+](Cc2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2)CC1 ZINC000604314336 568245681 /nfs/dbraw/zinc/24/56/81/568245681.db2.gz YHTNRCZLUDIHSC-UHFFFAOYSA-N 1 0 366.480 4.728 20 0 FJADRO Cc1csc(Sc2ccc(NC(=O)C[N@@H+](C)C(C)C)cc2Cl)n1 ZINC000303145866 568253279 /nfs/dbraw/zinc/25/32/79/568253279.db2.gz LSSKFERAAPXMSE-UHFFFAOYSA-N 1 0 369.943 4.535 20 0 FJADRO CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)c1ccccc1F)c1ccccc1 ZINC000303171399 568255375 /nfs/dbraw/zinc/25/53/75/568255375.db2.gz RGNCKNYSUWKNJJ-LAUBAEHRSA-N 1 0 356.485 4.519 20 0 FJADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc2sc3ccccc3c2s1 ZINC000604346131 568264090 /nfs/dbraw/zinc/26/40/90/568264090.db2.gz KJNSXYPFKPYKBQ-ZDUSSCGKSA-N 1 0 358.532 4.530 20 0 FJADRO C[C@H](c1ccc2ccccc2c1)[N@H+](CC(=O)N(C)Cc1ccco1)C1CC1 ZINC000303282210 568264276 /nfs/dbraw/zinc/26/42/76/568264276.db2.gz UUJPIYJPQSBQQZ-QGZVFWFLSA-N 1 0 362.473 4.617 20 0 FJADRO Cc1nc(C)c([C@@H](C)N(C)CC(=O)N[C@H](CC(C)C)c2ccccc2)s1 ZINC000303357827 568267901 /nfs/dbraw/zinc/26/79/01/568267901.db2.gz ZYYCWWFYXOZPEZ-VQIMIIECSA-N 1 0 373.566 4.656 20 0 FJADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000028168340 568268544 /nfs/dbraw/zinc/26/85/44/568268544.db2.gz OLFJFIQVLQERGQ-UHFFFAOYSA-N 1 0 364.420 4.934 20 0 FJADRO Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028168739 568268595 /nfs/dbraw/zinc/26/85/95/568268595.db2.gz OQPJXCYPVRPVIS-UHFFFAOYSA-N 1 0 352.409 4.728 20 0 FJADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000303431731 568272803 /nfs/dbraw/zinc/27/28/03/568272803.db2.gz FYXJHTJCQHXVPJ-ZDUSSCGKSA-N 1 0 357.325 4.624 20 0 FJADRO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCCN(c4ccccc4)C3)s2)cc1 ZINC000604417173 568275256 /nfs/dbraw/zinc/27/52/56/568275256.db2.gz KIHZLOPYDCLZDU-IBGZPJMESA-N 1 0 363.530 4.877 20 0 FJADRO FC(F)(F)c1ccc(N2CC[C@H]([NH2+]Cc3cccc4cc[nH]c43)C2)cc1 ZINC000604417779 568275688 /nfs/dbraw/zinc/27/56/88/568275688.db2.gz WNDPDVNDXXLHMV-KRWDZBQOSA-N 1 0 359.395 4.555 20 0 FJADRO COc1ccc(CC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)cc1OC ZINC000604414469 568279271 /nfs/dbraw/zinc/27/92/71/568279271.db2.gz TWYRCNFZDPBUDW-UHFFFAOYSA-N 1 0 373.399 4.574 20 0 FJADRO CN(C)[C@@H](C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1cccs1 ZINC000604414649 568279572 /nfs/dbraw/zinc/27/95/72/568279572.db2.gz HKAVPEZGTONHLZ-INIZCTEOSA-N 1 0 362.445 4.679 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H](c2ccsc2)N(C)C)o1 ZINC000604414890 568279699 /nfs/dbraw/zinc/27/96/99/568279699.db2.gz LTRQAUTULVVDDC-LJQANCHMSA-N 1 0 358.482 4.848 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)o1 ZINC000604414872 568279722 /nfs/dbraw/zinc/27/97/22/568279722.db2.gz JCQKTXCIAHYGAL-UHFFFAOYSA-N 1 0 365.452 4.679 20 0 FJADRO C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000303460193 568280124 /nfs/dbraw/zinc/28/01/24/568280124.db2.gz LHCDIOCTNHMZOK-IAGOWNOFSA-N 1 0 373.928 4.563 20 0 FJADRO Cc1c(F)cccc1-c1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)o1 ZINC000604415382 568280737 /nfs/dbraw/zinc/28/07/37/568280737.db2.gz BVABOOWUPINJKO-UHFFFAOYSA-N 1 0 363.436 4.993 20 0 FJADRO COc1ccccc1OCCC[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000604416157 568281262 /nfs/dbraw/zinc/28/12/62/568281262.db2.gz KFAGDFDTHXPSQD-UHFFFAOYSA-N 1 0 368.502 4.686 20 0 FJADRO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000604392997 568283087 /nfs/dbraw/zinc/28/30/87/568283087.db2.gz QGDBBLCYUDPIPA-FMKPAKJESA-N 1 0 360.860 4.684 20 0 FJADRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1 ZINC000303508284 568285058 /nfs/dbraw/zinc/28/50/58/568285058.db2.gz NLHSPMUNMUWWGB-DYESRHJHSA-N 1 0 374.550 4.519 20 0 FJADRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1noc(Cc2ccccc2)n1 ZINC000525796759 568286069 /nfs/dbraw/zinc/28/60/69/568286069.db2.gz HUYRGWMFLAADSS-SFTDATJTSA-N 1 0 361.489 4.819 20 0 FJADRO Clc1ccc(OCc2nc(C[NH+](CC3CC3)CC3CC3)cs2)cc1 ZINC000604395478 568295069 /nfs/dbraw/zinc/29/50/69/568295069.db2.gz CQEMIRACXMDSKK-UHFFFAOYSA-N 1 0 362.926 4.998 20 0 FJADRO CCOc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cccc(F)c1 ZINC000071810654 568302890 /nfs/dbraw/zinc/30/28/90/568302890.db2.gz AOBVBOANYOTGPK-UHFFFAOYSA-N 1 0 367.468 4.513 20 0 FJADRO Cc1cc(C(=O)CCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(C)s1 ZINC000028173968 568309926 /nfs/dbraw/zinc/30/99/26/568309926.db2.gz BFLAJUFXNKKRAV-UHFFFAOYSA-N 1 0 370.518 4.562 20 0 FJADRO CCSc1cccc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000604623534 568328814 /nfs/dbraw/zinc/32/88/14/568328814.db2.gz GTNVJJFCFWAGOA-UHFFFAOYSA-N 1 0 361.555 4.527 20 0 FJADRO Cc1cccc([C@@H](C)NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1C ZINC000604622774 568331834 /nfs/dbraw/zinc/33/18/34/568331834.db2.gz NJRGVIJGTJWORG-GOSISDBHSA-N 1 0 369.509 4.517 20 0 FJADRO CC(C)Cc1ccc([C@@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000604634219 568333157 /nfs/dbraw/zinc/33/31/57/568333157.db2.gz JEQZTQYSDDLRPU-UNMCSNQZSA-N 1 0 373.585 4.565 20 0 FJADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000604699769 568347540 /nfs/dbraw/zinc/34/75/40/568347540.db2.gz HGHLYFJDXYRKBR-SJORKVTESA-N 1 0 358.432 4.549 20 0 FJADRO C[C@@H](CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000604727022 568354256 /nfs/dbraw/zinc/35/42/56/568354256.db2.gz PPLDBYSCIRDMRK-YOEHRIQHSA-N 1 0 372.475 4.682 20 0 FJADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(C(F)F)cc2)CC1 ZINC000604714378 568355333 /nfs/dbraw/zinc/35/53/33/568355333.db2.gz LXZDKVWGBFBHMU-HNNXBMFYSA-N 1 0 358.432 4.580 20 0 FJADRO Cc1ccccc1[C@@H](C)CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000604744923 568356012 /nfs/dbraw/zinc/35/60/12/568356012.db2.gz TZVNDBIJWLOEGW-IBGZPJMESA-N 1 0 352.522 4.645 20 0 FJADRO CC(C)[C@H](CC1CCCC1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000604744980 568356023 /nfs/dbraw/zinc/35/60/23/568356023.db2.gz VMPIURXJNFUXLT-GOTSBHOMSA-N 1 0 370.581 4.520 20 0 FJADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H](C)c1ccccc1C ZINC000604743890 568360028 /nfs/dbraw/zinc/36/00/28/568360028.db2.gz PVUXCTDOFSPGOC-LJQANCHMSA-N 1 0 352.522 4.599 20 0 FJADRO COc1ccc(C2([NH2+]Cc3cc4c(cc3OC)C[C@H](C)O4)CCCC2)cc1 ZINC000604765065 568361803 /nfs/dbraw/zinc/36/18/03/568361803.db2.gz NBPMUXPTZHLSKG-INIZCTEOSA-N 1 0 367.489 4.586 20 0 FJADRO C[C@@](CO)([NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1)c1ccccc1 ZINC000604765620 568361860 /nfs/dbraw/zinc/36/18/60/568361860.db2.gz ZISQYTKXANESMS-QFIPXVFZSA-N 1 0 369.411 4.754 20 0 FJADRO Fc1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)ccc1-n1cncn1 ZINC000604765456 568361879 /nfs/dbraw/zinc/36/18/79/568361879.db2.gz PSJSYUMGKQMEMP-UHFFFAOYSA-N 1 0 370.859 4.619 20 0 FJADRO Cc1cc(C)c(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)cc1C ZINC000604767067 568362178 /nfs/dbraw/zinc/36/21/78/568362178.db2.gz BZDQBBBYORPJKK-LJQANCHMSA-N 1 0 351.412 4.628 20 0 FJADRO C[C@](CO)([NH2+]Cc1csc2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000604767404 568362289 /nfs/dbraw/zinc/36/22/89/568362289.db2.gz JTGZKPNKKJZSRV-GOSISDBHSA-N 1 0 365.420 4.917 20 0 FJADRO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)o1 ZINC000604767877 568362425 /nfs/dbraw/zinc/36/24/25/568362425.db2.gz DUGQSBQTTVFMHO-IIBYNOLFSA-N 1 0 353.437 4.648 20 0 FJADRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000604768287 568362547 /nfs/dbraw/zinc/36/25/47/568362547.db2.gz MZHILNPXLTWKNC-YADARESESA-N 1 0 361.485 4.520 20 0 FJADRO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)o1 ZINC000604768416 568362599 /nfs/dbraw/zinc/36/25/99/568362599.db2.gz QAOKVDGXAPOWBQ-BTYIYWSLSA-N 1 0 353.437 4.648 20 0 FJADRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000604769758 568362774 /nfs/dbraw/zinc/36/27/74/568362774.db2.gz NFUBICOCIRVYIE-AEFFLSMTSA-N 1 0 374.525 4.727 20 0 FJADRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000604769767 568362781 /nfs/dbraw/zinc/36/27/81/568362781.db2.gz NFWPOFMUMQWMHL-JKSUJKDBSA-N 1 0 374.525 4.727 20 0 FJADRO Cc1ccccc1-c1cccc(C[NH2+][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)c1 ZINC000604772245 568363393 /nfs/dbraw/zinc/36/33/93/568363393.db2.gz NNTDDHZAJWMOFM-FCHUYYIVSA-N 1 0 364.533 4.835 20 0 FJADRO Cc1ccccc1-c1cccc(C[NH2+][C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)c1 ZINC000604772246 568363399 /nfs/dbraw/zinc/36/33/99/568363399.db2.gz NNTDDHZAJWMOFM-FGZHOGPDSA-N 1 0 364.533 4.835 20 0 FJADRO CC(C)C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccs1 ZINC000604787748 568366923 /nfs/dbraw/zinc/36/69/23/568366923.db2.gz FGHQHRVVCIOWHX-RDJZCZTQSA-N 1 0 353.576 4.501 20 0 FJADRO Cc1csc(-c2cccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c2)n1 ZINC000604799203 568370467 /nfs/dbraw/zinc/37/04/67/568370467.db2.gz IULLJXMGTBTWBM-QGZVFWFLSA-N 1 0 374.554 4.606 20 0 FJADRO Cc1csc(-c2ccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc2)n1 ZINC000604799657 568370520 /nfs/dbraw/zinc/37/05/20/568370520.db2.gz ZIOIXLLEXGSHIF-KRWDZBQOSA-N 1 0 374.554 4.606 20 0 FJADRO Cc1csc(-c2ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc2)n1 ZINC000604799659 568370534 /nfs/dbraw/zinc/37/05/34/568370534.db2.gz ZIOIXLLEXGSHIF-QGZVFWFLSA-N 1 0 374.554 4.606 20 0 FJADRO CSc1ccc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000003587105 568372670 /nfs/dbraw/zinc/37/26/70/568372670.db2.gz XRWBAKILPYJLSZ-UHFFFAOYSA-N 1 0 369.317 4.786 20 0 FJADRO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)C(=O)Nc1ccccc1 ZINC000604891890 568382028 /nfs/dbraw/zinc/38/20/28/568382028.db2.gz FIQMDCKBISEGHW-VQIMIIECSA-N 1 0 350.487 4.649 20 0 FJADRO Cc1ccccc1C(C)(C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000604873508 568382580 /nfs/dbraw/zinc/38/25/80/568382580.db2.gz IYSGOVBJMHWXBK-UHFFFAOYSA-N 1 0 374.912 4.505 20 0 FJADRO CCc1ccc([C@H](C)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cc1 ZINC000604874116 568382598 /nfs/dbraw/zinc/38/25/98/568382598.db2.gz QHAOKBAURVZBAO-HNNXBMFYSA-N 1 0 374.912 4.585 20 0 FJADRO Fc1ccc(CC[N@H+](Cc2csc(-c3ccccn3)n2)C2CC2)cc1 ZINC000604903048 568385335 /nfs/dbraw/zinc/38/53/35/568385335.db2.gz DMWAJGYVFUPTIY-UHFFFAOYSA-N 1 0 353.466 4.551 20 0 FJADRO CC[C@@H](C)N(Cc1ccccc1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000604914005 568388611 /nfs/dbraw/zinc/38/86/11/568388611.db2.gz KSDJEXPXJJUTHN-HXUWFJFHSA-N 1 0 359.558 4.509 20 0 FJADRO CC[C@H](C)N(Cc1ccccc1)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000604916416 568389326 /nfs/dbraw/zinc/38/93/26/568389326.db2.gz JUBRNDWRSOFBNF-AZUAARDMSA-N 1 0 371.525 4.673 20 0 FJADRO CC(C)(NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cccs1 ZINC000604920716 568390384 /nfs/dbraw/zinc/39/03/84/568390384.db2.gz GYOJSKPLIHEHHB-GOSISDBHSA-N 1 0 371.550 4.510 20 0 FJADRO COc1cc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)c(C2CC2)cc1Cl ZINC000655531565 568391588 /nfs/dbraw/zinc/39/15/88/568391588.db2.gz VKQOCIBADDSARF-QGZVFWFLSA-N 1 0 358.869 4.645 20 0 FJADRO CCCC[C@H](CC)CC(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000604936882 568400883 /nfs/dbraw/zinc/40/08/83/568400883.db2.gz UCBBDGFUBFCCKG-KXBFYZLASA-N 1 0 361.917 4.886 20 0 FJADRO O[C@H](C[NH2+][C@H](CC(F)F)c1ccccc1)COc1ccc2ccccc2c1 ZINC000643255728 568406733 /nfs/dbraw/zinc/40/67/33/568406733.db2.gz REJXYTZQWXTUDQ-TZIWHRDSSA-N 1 0 371.427 4.566 20 0 FJADRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000319743197 568414198 /nfs/dbraw/zinc/41/41/98/568414198.db2.gz RCDFUQDIIIBLJL-PIGZYNQJSA-N 1 0 364.258 4.935 20 0 FJADRO O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1ccc(-n2ccnc2)cc1 ZINC000604963079 568428568 /nfs/dbraw/zinc/42/85/68/568428568.db2.gz XSMUTFUBRVCJKV-TWGQIWQCSA-N 1 0 372.453 4.752 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3c(cnn3C(C)C)c2)cc1 ZINC000604993689 568505198 /nfs/dbraw/zinc/50/51/98/568505198.db2.gz PRTDTGARDFQRRS-UHFFFAOYSA-N 1 0 364.493 4.711 20 0 FJADRO Cc1ncsc1C[N@H+](C)CC/C=C/c1ccc(Br)cc1 ZINC000604998651 568512010 /nfs/dbraw/zinc/51/20/10/568512010.db2.gz NZAMNOXERAHPAF-HWKANZROSA-N 1 0 351.313 4.749 20 0 FJADRO CC1(C)C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCCO1 ZINC000604999463 568512763 /nfs/dbraw/zinc/51/27/63/568512763.db2.gz QXWKEVTXTJXDCE-UHFFFAOYSA-N 1 0 361.489 4.540 20 0 FJADRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2nc(C)cs2)cc1 ZINC000605008478 568515802 /nfs/dbraw/zinc/51/58/02/568515802.db2.gz XCXCYJOKKZILMJ-RBUKOAKNSA-N 1 0 360.523 4.720 20 0 FJADRO c1ccc(COc2ccc(C[NH2+]C[C@H]3CCc4ccccc4C3)cc2)nc1 ZINC000605008855 568515963 /nfs/dbraw/zinc/51/59/63/568515963.db2.gz ZAPDGXKANAAZPL-FQEVSTJZSA-N 1 0 358.485 4.555 20 0 FJADRO COc1cccc(N2CCC[C@H]([NH2+]Cc3csc4ccccc34)C2)c1 ZINC000605008899 568516054 /nfs/dbraw/zinc/51/60/54/568516054.db2.gz BYUMNDRRSPADCQ-KRWDZBQOSA-N 1 0 352.503 4.669 20 0 FJADRO O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1cccc(-n2ccnc2)c1 ZINC000605094499 568562850 /nfs/dbraw/zinc/56/28/50/568562850.db2.gz BNCCZQYSMDKBBW-FQEVSTJZSA-N 1 0 373.481 4.648 20 0 FJADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000605122173 568574639 /nfs/dbraw/zinc/57/46/39/568574639.db2.gz NEWFLUFNQDAVPX-GOSISDBHSA-N 1 0 360.542 4.638 20 0 FJADRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc(-n2ccnc2)c1 ZINC000605124434 568579040 /nfs/dbraw/zinc/57/90/40/568579040.db2.gz NOKFESSGTIFUES-UHFFFAOYSA-N 1 0 374.488 4.501 20 0 FJADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cc2cc(F)ccc2o1 ZINC000605125754 568579516 /nfs/dbraw/zinc/57/95/16/568579516.db2.gz PNYTUXFJXFJWIC-LJQANCHMSA-N 1 0 366.436 4.529 20 0 FJADRO FC(F)(F)[C@@H]1C[C@@H](C(F)(F)F)C[NH+](CCSc2ccccc2)C1 ZINC000605150023 568587206 /nfs/dbraw/zinc/58/72/06/568587206.db2.gz FMPKVPKDEAMAEU-VXGBXAGGSA-N 1 0 357.363 4.841 20 0 FJADRO Brc1ccc2c(c1)C=C(C[NH2+][C@@H]1CSc3ccccc31)CO2 ZINC000605165874 568594051 /nfs/dbraw/zinc/59/40/51/568594051.db2.gz CSZCCXPVOZZFNJ-MRXNPFEDSA-N 1 0 374.303 4.662 20 0 FJADRO c1nc2ccccc2n1-c1ccc(C[NH2+][C@@H]2CSc3ccccc32)cc1 ZINC000605165932 568594399 /nfs/dbraw/zinc/59/43/99/568594399.db2.gz HIDCKLIMKSZLDE-HXUWFJFHSA-N 1 0 357.482 4.962 20 0 FJADRO Fc1ccc(-c2cc(C[N@@H+]3CCS[C@@H](c4ccccc4)C3)on2)cc1 ZINC000605154225 568598254 /nfs/dbraw/zinc/59/82/54/568598254.db2.gz LXFKZLKTAPZJAM-HXUWFJFHSA-N 1 0 354.450 4.771 20 0 FJADRO O=C(c1ccc(F)cc1)[C@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000606155862 568675935 /nfs/dbraw/zinc/67/59/35/568675935.db2.gz XDRKIQAWXAKYIT-HNNXBMFYSA-N 1 0 352.384 4.612 20 0 FJADRO O=C(Nc1ccc(-n2ccnc2)c(F)c1)C1(c2cccs2)CCCCC1 ZINC000606180669 568695387 /nfs/dbraw/zinc/69/53/87/568695387.db2.gz BPHVDLCUIQYJLM-UHFFFAOYSA-N 1 0 369.465 4.914 20 0 FJADRO C[C@@H](CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000606201266 568720219 /nfs/dbraw/zinc/72/02/19/568720219.db2.gz VLCVBYGIVVZGKD-YOEHRIQHSA-N 1 0 372.475 4.682 20 0 FJADRO CC(C)(NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000606216795 568725034 /nfs/dbraw/zinc/72/50/34/568725034.db2.gz IJEYESOFWLARGQ-UHFFFAOYSA-N 1 0 370.924 4.604 20 0 FJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164388115 718803323 /nfs/dbraw/zinc/80/33/23/718803323.db2.gz TUJVEGIPWUIVDU-UHFFFAOYSA-N 1 0 365.855 4.546 20 0 FJADRO FC(F)(c1cc2ccccc2nc1Cl)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164388135 718803400 /nfs/dbraw/zinc/80/34/00/718803400.db2.gz ULDYGEXVYGOFTE-UHFFFAOYSA-N 1 0 365.855 4.546 20 0 FJADRO CC(C)(c1ccnc(Cl)c1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164625026 719113381 /nfs/dbraw/zinc/11/33/81/719113381.db2.gz GCWMEODYDLMPPT-AZUAARDMSA-N 1 0 369.940 4.567 20 0 FJADRO Clc1cccc(-c2cccc(N3CCCC[C@H]3CC[NH+]3CCCC3)n2)n1 ZINC001165049451 721970529 /nfs/dbraw/zinc/97/05/29/721970529.db2.gz TUCQURMYAWWZRJ-KRWDZBQOSA-N 1 0 370.928 4.642 20 0 FJADRO Clc1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c(-c2ccccc2)nn1 ZINC001165046532 721970698 /nfs/dbraw/zinc/97/06/98/721970698.db2.gz GSDOFVFUTDUCQJ-GOSISDBHSA-N 1 0 370.928 4.642 20 0 FJADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3)c3ccccc32)CC1 ZINC001165053298 722005456 /nfs/dbraw/zinc/00/54/56/722005456.db2.gz LOIVRXBCYFNCQW-UHFFFAOYSA-N 1 0 374.532 4.531 20 0 FJADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cccc4ccccc43)C2)CC1 ZINC000109675358 209310495 /nfs/dbraw/zinc/31/04/95/209310495.db2.gz WRUYKAMJPAFOPO-IBGZPJMESA-N 1 0 365.521 4.816 20 0 FJADRO Cc1nnc([C@@H]2CC23CC[NH+](Cc2ccc(Oc4ccccc4)o2)CC3)o1 ZINC000359995663 223143891 /nfs/dbraw/zinc/14/38/91/223143891.db2.gz DLYBYUUYKQMNQH-SFHVURJKSA-N 1 0 365.433 4.533 20 0 FJADRO C[N@H+](Cc1ccccc1CNC(=O)c1ccccc1F)C1CCCCC1 ZINC000108573603 209289715 /nfs/dbraw/zinc/28/97/15/209289715.db2.gz PQRZCZGKQRXVLZ-UHFFFAOYSA-N 1 0 354.469 4.520 20 0 FJADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000010136988 207296321 /nfs/dbraw/zinc/29/63/21/207296321.db2.gz WLPDLLTXZJYDIT-SFHVURJKSA-N 1 0 351.277 4.919 20 0 FJADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000022621614 220392832 /nfs/dbraw/zinc/39/28/32/220392832.db2.gz WNDLLLJHNFIUSA-LBPRGKRZSA-N 1 0 370.921 4.934 20 0 FJADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000071943394 221388996 /nfs/dbraw/zinc/38/89/96/221388996.db2.gz CYJXBJYEHFOREU-INIZCTEOSA-N 1 0 370.255 4.557 20 0 FJADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1 ZINC000107922986 222405337 /nfs/dbraw/zinc/40/53/37/222405337.db2.gz OWJAMBPSYZTTJV-FGTMMUONSA-N 1 0 370.459 4.554 20 0 FJADRO FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC000218954503 568019591 /nfs/dbraw/zinc/01/95/91/568019591.db2.gz KQTZZGGFKOCSJK-UWVGGRQHSA-N 1 0 356.251 4.764 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000605951699 567835300 /nfs/dbraw/zinc/83/53/00/567835300.db2.gz FILSAELBOPGYGV-MOPGFXCFSA-N 1 0 361.530 4.561 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000605951704 567835354 /nfs/dbraw/zinc/83/53/54/567835354.db2.gz FILSAELBOPGYGV-RTBURBONSA-N 1 0 361.530 4.561 20 0 FJADRO Brc1ccc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)nc1 ZINC000601756634 567836566 /nfs/dbraw/zinc/83/65/66/567836566.db2.gz UNAWBLRWAOPOTA-HNNXBMFYSA-N 1 0 370.294 4.705 20 0 FJADRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000521406789 567869113 /nfs/dbraw/zinc/86/91/13/567869113.db2.gz PNYYNNCQDUPHNN-FQEVSTJZSA-N 1 0 354.881 4.523 20 0 FJADRO Cc1c2ccccc2oc1[C@@H](NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)C(C)C ZINC000601904143 567871033 /nfs/dbraw/zinc/87/10/33/567871033.db2.gz ISNVCAMAWJDYGR-XLIONFOSSA-N 1 0 371.525 4.610 20 0 FJADRO CCc1cccc(C)c1NC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000043156243 567886767 /nfs/dbraw/zinc/88/67/67/567886767.db2.gz AAABZZJLIBZLEB-SFHVURJKSA-N 1 0 359.539 4.824 20 0 FJADRO CC(C)[C@@H](CC(=O)N(c1ccccc1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000601960677 567887167 /nfs/dbraw/zinc/88/71/67/567887167.db2.gz VWRRJQCHDDSXPY-HSZRJFAPSA-N 1 0 364.533 4.944 20 0 FJADRO C[NH+]1CCC(N(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)CC1 ZINC000601962276 567887697 /nfs/dbraw/zinc/88/76/97/567887697.db2.gz LSASHFKGSRWRFB-UHFFFAOYSA-N 1 0 363.288 4.734 20 0 FJADRO CC(C)c1ccc(CCC(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000601962680 567887871 /nfs/dbraw/zinc/88/78/71/567887871.db2.gz OZJNIFAQCCFBHS-UHFFFAOYSA-N 1 0 364.533 4.870 20 0 FJADRO C[NH+]1CCC(N(C(=O)CCCc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000601963388 567888129 /nfs/dbraw/zinc/88/81/29/567888129.db2.gz VRECLGBTRSCPTQ-UHFFFAOYSA-N 1 0 370.924 4.790 20 0 FJADRO CSc1ccc(Cl)c(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000601963852 567888527 /nfs/dbraw/zinc/88/85/27/567888527.db2.gz WSCWAMSHHKMAPT-UHFFFAOYSA-N 1 0 374.937 4.803 20 0 FJADRO CC(C)Cc1ccc(CC(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000601968776 567889954 /nfs/dbraw/zinc/88/99/54/567889954.db2.gz QUXBRRPTDDWEQY-UHFFFAOYSA-N 1 0 364.533 4.555 20 0 FJADRO CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000601973285 567891469 /nfs/dbraw/zinc/89/14/69/567891469.db2.gz XINPVKQAMGMIEC-OAQYLSRUSA-N 1 0 350.506 4.532 20 0 FJADRO Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](COCc4ccccc4)C3)co2)cc1 ZINC000075864401 567897479 /nfs/dbraw/zinc/89/74/79/567897479.db2.gz WLKATACGUCSQJC-HXUWFJFHSA-N 1 0 362.473 4.689 20 0 FJADRO COc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2)cc1Br ZINC000221875703 567931657 /nfs/dbraw/zinc/93/16/57/567931657.db2.gz ZRUKYTCCYHSZJX-SNVBAGLBSA-N 1 0 356.210 4.587 20 0 FJADRO Cc1ccc([C@@H](CNC(=O)N2CCCCC[C@@H]2c2ccco2)[NH+](C)C)cc1 ZINC000605962017 567942917 /nfs/dbraw/zinc/94/29/17/567942917.db2.gz DNDNMQKHXNIHGF-WOJBJXKFSA-N 1 0 369.509 4.518 20 0 FJADRO C[C@H](c1ccc(Br)cc1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000602238745 567954895 /nfs/dbraw/zinc/95/48/95/567954895.db2.gz DCJVVJKARYNENJ-DNVCBOLYSA-N 1 0 360.295 4.974 20 0 FJADRO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000521415322 567960641 /nfs/dbraw/zinc/96/06/41/567960641.db2.gz FJXVNJXOUOCSNU-KXBFYZLASA-N 1 0 374.525 4.806 20 0 FJADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2)cc1C ZINC000602377480 567971022 /nfs/dbraw/zinc/97/10/22/567971022.db2.gz DJRLCAVIYJTFEU-KRWDZBQOSA-N 1 0 355.482 4.639 20 0 FJADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1Cl ZINC000602576749 567993227 /nfs/dbraw/zinc/99/32/27/567993227.db2.gz QFBXDZWVMJVYOU-GFCCVEGCSA-N 1 0 367.276 4.600 20 0 FJADRO C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(F)cc1 ZINC000602578801 567993472 /nfs/dbraw/zinc/99/34/72/567993472.db2.gz KERPPOGWPBWWFJ-QGZVFWFLSA-N 1 0 353.485 4.531 20 0 FJADRO C[C@H]([NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc(F)ccc1F ZINC000602584077 567994091 /nfs/dbraw/zinc/99/40/91/567994091.db2.gz CSTSNBQHHBNVPO-KBXCAEBGSA-N 1 0 365.427 4.630 20 0 FJADRO C[C@@H]([NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(F)cc1F ZINC000602584117 567994157 /nfs/dbraw/zinc/99/41/57/567994157.db2.gz NJWWVKKJEUZGIG-KDOFPFPSSA-N 1 0 365.427 4.630 20 0 FJADRO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000521425759 568003561 /nfs/dbraw/zinc/00/35/61/568003561.db2.gz KUQSXVCSQAWBMS-HXUWFJFHSA-N 1 0 352.478 4.559 20 0 FJADRO COc1ccc(-c2nnc(C[N@@H+]3CCCCC[C@@H]3c3ccccc3)o2)cc1 ZINC000521425788 568003959 /nfs/dbraw/zinc/00/39/59/568003959.db2.gz MDTDXSWJAGVLFB-HXUWFJFHSA-N 1 0 363.461 4.863 20 0 FJADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000187030686 568004449 /nfs/dbraw/zinc/00/44/49/568004449.db2.gz REHIBTYVRXTCHV-JOCHJYFZSA-N 1 0 356.554 4.853 20 0 FJADRO CC[N@H+](CC1CCOCC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000602870187 568008937 /nfs/dbraw/zinc/00/89/37/568008937.db2.gz LQHLMJJOPIDQAP-MRXNPFEDSA-N 1 0 370.356 4.735 20 0 FJADRO CC(C)c1nc(CC[NH2+]Cc2c(Cl)cccc2OC(F)F)cs1 ZINC000602909630 568010892 /nfs/dbraw/zinc/01/08/92/568010892.db2.gz FLDLXBUJNIGDJJ-UHFFFAOYSA-N 1 0 360.857 4.854 20 0 FJADRO CSC1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000602922616 568013536 /nfs/dbraw/zinc/01/35/36/568013536.db2.gz LICGRNLEVIXLSJ-UHFFFAOYSA-N 1 0 354.519 4.510 20 0 FJADRO COc1cc(C[NH2+][C@H]2CCSc3cc(C)c(C)cc32)cc(OC)c1OC ZINC000186945617 568020783 /nfs/dbraw/zinc/02/07/83/568020783.db2.gz YZFFOYQOFUDXLI-KRWDZBQOSA-N 1 0 373.518 4.656 20 0 FJADRO C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000602753110 568030418 /nfs/dbraw/zinc/03/04/18/568030418.db2.gz HOKADSPATHWKBC-NQIIRXRSSA-N 1 0 358.526 4.596 20 0 FJADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(C)(C)CCCc2ccccc2)CC1 ZINC000602754107 568030935 /nfs/dbraw/zinc/03/09/35/568030935.db2.gz AFTJGMGMGURYKK-UHFFFAOYSA-N 1 0 358.570 4.614 20 0 FJADRO Cc1c2cc(F)ccc2oc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000522755449 568033778 /nfs/dbraw/zinc/03/37/78/568033778.db2.gz LGESQICYEVUYKF-UHFFFAOYSA-N 1 0 361.800 4.595 20 0 FJADRO CN1CCC[C@@H](C[NH2+]Cc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522756756 568049632 /nfs/dbraw/zinc/04/96/32/568049632.db2.gz FLJVRHNCOHZDCP-ICSRJNTNSA-N 1 0 362.439 4.878 20 0 FJADRO COc1cc(C[NH2+]CC2(O)CCCCCC2)c(-c2ccccc2)cc1OC ZINC000522758434 568053525 /nfs/dbraw/zinc/05/35/25/568053525.db2.gz YHHUUXNKSWKLEM-UHFFFAOYSA-N 1 0 369.505 4.546 20 0 FJADRO COc1cccc(NC(=O)[C@@H](NCc2sccc2C)c2ccccc2)c1 ZINC000028383763 568071087 /nfs/dbraw/zinc/07/10/87/568071087.db2.gz XZXZLBWLBZUXIX-FQEVSTJZSA-N 1 0 366.486 4.535 20 0 FJADRO C[C@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)[C@@H]1CC1(F)F ZINC000666445186 568082549 /nfs/dbraw/zinc/08/25/49/568082549.db2.gz QWIWPZJZNLMDSN-CPCISQLKSA-N 1 0 358.148 4.601 20 0 FJADRO CCC[C@@H](CC1CCCCC1)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000603465915 568102383 /nfs/dbraw/zinc/10/23/83/568102383.db2.gz LQTLQBCPCOBVIZ-NRFANRHFSA-N 1 0 350.591 4.952 20 0 FJADRO C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430780136 568104844 /nfs/dbraw/zinc/10/48/44/568104844.db2.gz JJZATIIJGSSZNC-PWHSHALESA-N 1 0 351.490 4.512 20 0 FJADRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 ZINC000603509834 568110325 /nfs/dbraw/zinc/11/03/25/568110325.db2.gz RJMPZGPEXGFRFN-ZWKOTPCHSA-N 1 0 362.395 4.552 20 0 FJADRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000121748334 568110434 /nfs/dbraw/zinc/11/04/34/568110434.db2.gz KIWHZSOCEVSBSO-FZKQIMNGSA-N 1 0 351.899 4.545 20 0 FJADRO Cc1ccc(OCc2nc(C[NH2+][C@H](C)Cc3ccsc3)cs2)cc1 ZINC000603511938 568110735 /nfs/dbraw/zinc/11/07/35/568110735.db2.gz IPLUTCMESLKFMI-OAHLLOKOSA-N 1 0 358.532 4.813 20 0 FJADRO CC[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)C(C)(C)C ZINC000603513329 568111092 /nfs/dbraw/zinc/11/10/92/568111092.db2.gz FAUWPRHXKDQACG-KRWDZBQOSA-N 1 0 363.502 4.881 20 0 FJADRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2cn3cc(Cl)ccc3n2)c1C ZINC000603513142 568111121 /nfs/dbraw/zinc/11/11/21/568111121.db2.gz LZUWCLPSRPWTQA-UHFFFAOYSA-N 1 0 352.869 4.684 20 0 FJADRO CCCCOc1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)cc1OCC ZINC000603516222 568111662 /nfs/dbraw/zinc/11/16/62/568111662.db2.gz PIBBMKKETXCDNB-HSZRJFAPSA-N 1 0 369.505 4.668 20 0 FJADRO FC(F)Oc1ccc2ccccc2c1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000603516547 568111684 /nfs/dbraw/zinc/11/16/84/568111684.db2.gz XTPRDJWUFMTHJA-NRFANRHFSA-N 1 0 369.411 4.845 20 0 FJADRO COc1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)cc1OCCC(C)C ZINC000603516460 568111715 /nfs/dbraw/zinc/11/17/15/568111715.db2.gz UJGSSGHTOLYEPR-QHCPKHFHSA-N 1 0 369.505 4.524 20 0 FJADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)o1 ZINC000603668533 568132797 /nfs/dbraw/zinc/13/27/97/568132797.db2.gz LRWWRABABUDOHT-UHFFFAOYSA-N 1 0 365.433 4.561 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000603668834 568132868 /nfs/dbraw/zinc/13/28/68/568132868.db2.gz YWQDXVPIAQKCED-MRXNPFEDSA-N 1 0 374.550 4.680 20 0 FJADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc3sccc3s2)C1 ZINC000603686260 568135528 /nfs/dbraw/zinc/13/55/28/568135528.db2.gz QHBFOBXQVZKFIP-LSDHHAIUSA-N 1 0 362.564 4.689 20 0 FJADRO Cc1cn2c(C[NH2+]CCCO[C@H]3CCCc4ccccc43)c(C)nc2s1 ZINC000603723605 568142243 /nfs/dbraw/zinc/14/22/43/568142243.db2.gz LPZGGEFSCYMHGI-FQEVSTJZSA-N 1 0 369.534 4.587 20 0 FJADRO COC(=O)c1cccc(C[NH+]2CCC(c3c(C)[nH]c4ccccc43)CC2)c1 ZINC000603869851 568173762 /nfs/dbraw/zinc/17/37/62/568173762.db2.gz QYJYBGLGRZACCG-UHFFFAOYSA-N 1 0 362.473 4.643 20 0 FJADRO C[NH+](C)C[C@H]1CCN(C(=O)C2(c3ccc(C(C)(C)C)cc3)CCCCC2)C1 ZINC000603906540 568178078 /nfs/dbraw/zinc/17/80/78/568178078.db2.gz DRXMPZFCKJVTOO-LJQANCHMSA-N 1 0 370.581 4.596 20 0 FJADRO FC(F)Oc1ccc(Cl)cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000603937797 568184335 /nfs/dbraw/zinc/18/43/35/568184335.db2.gz CLCYSDZEOHEIDO-UHFFFAOYSA-N 1 0 367.823 4.737 20 0 FJADRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000563109357 568197629 /nfs/dbraw/zinc/19/76/29/568197629.db2.gz YIMOTAHNDRQTCQ-HOZXKAFVSA-N 1 0 352.265 4.883 20 0 FJADRO c1coc(-c2nc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)cs2)c1 ZINC000604041488 568203141 /nfs/dbraw/zinc/20/31/41/568203141.db2.gz RMYXVJOMZLAURY-AWEZNQCLSA-N 1 0 365.458 4.924 20 0 FJADRO c1c2ccccc2[nH]c1[C@@H]1CCCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000604042574 568203215 /nfs/dbraw/zinc/20/32/15/568203215.db2.gz FXAXQRDHGJLBJI-GOSISDBHSA-N 1 0 358.445 4.598 20 0 FJADRO CC(=O)N(c1nc(CN2CCCC[C@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000070945985 568207917 /nfs/dbraw/zinc/20/79/17/568207917.db2.gz YRKDPBMYLAJXNM-MRXNPFEDSA-N 1 0 357.523 4.819 20 0 FJADRO CCCCc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000604079256 568208536 /nfs/dbraw/zinc/20/85/36/568208536.db2.gz DIBDGNOLYRDRPN-IAGOWNOFSA-N 1 0 356.510 4.512 20 0 FJADRO CC(C)(C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)Oc1ccccc1 ZINC000604081828 568208935 /nfs/dbraw/zinc/20/89/35/568208935.db2.gz VJWLHTGTVMUGHO-UHFFFAOYSA-N 1 0 355.869 4.677 20 0 FJADRO Cc1cc(C)c(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000604092304 568211798 /nfs/dbraw/zinc/21/17/98/568211798.db2.gz IIUPSXRGEPIUFQ-SFHVURJKSA-N 1 0 371.912 4.743 20 0 FJADRO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000563118110 568223491 /nfs/dbraw/zinc/22/34/91/568223491.db2.gz XYMZJQLFNYWVLP-DEOSSOPVSA-N 1 0 358.485 4.653 20 0 FJADRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000122277914 568225042 /nfs/dbraw/zinc/22/50/42/568225042.db2.gz DSWMTJSPAIOACK-QWHCGFSZSA-N 1 0 371.424 4.521 20 0 FJADRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(Cl)c1 ZINC000607813460 568227330 /nfs/dbraw/zinc/22/73/30/568227330.db2.gz YHGKXSIUOBSIOD-HNNXBMFYSA-N 1 0 374.937 4.631 20 0 FJADRO C[C@H](c1cccs1)N(C)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604202169 568227565 /nfs/dbraw/zinc/22/75/65/568227565.db2.gz QUBQCLZECBYLDL-MJGOQNOKSA-N 1 0 371.550 4.678 20 0 FJADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cc1)C(C)C ZINC000604259414 568239363 /nfs/dbraw/zinc/23/93/63/568239363.db2.gz TWALLFGCBBQOER-XXBNENTESA-N 1 0 364.533 4.935 20 0 FJADRO CSCc1c2ccccc2oc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000604300337 568245365 /nfs/dbraw/zinc/24/53/65/568245365.db2.gz BRPMYVQEGYKIMI-HNNXBMFYSA-N 1 0 374.550 4.536 20 0 FJADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(C)(C)c2cccs2)cc1 ZINC000604313133 568248739 /nfs/dbraw/zinc/24/87/39/568248739.db2.gz CVWUZXFHCBDWGQ-QGZVFWFLSA-N 1 0 370.562 4.717 20 0 FJADRO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000303137033 568252920 /nfs/dbraw/zinc/25/29/20/568252920.db2.gz CZGKRHMBUBASOV-WMZOPIPTSA-N 1 0 356.897 4.937 20 0 FJADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1cccc(Cl)c1 ZINC000303147911 568253360 /nfs/dbraw/zinc/25/33/60/568253360.db2.gz FLPVHOBWEJZKNT-KRWDZBQOSA-N 1 0 370.924 4.573 20 0 FJADRO CC(C)Sc1ccc(Cl)cc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000303239293 568261999 /nfs/dbraw/zinc/26/19/99/568261999.db2.gz IKXBSZMDRNWEDH-UHFFFAOYSA-N 1 0 369.962 4.835 20 0 FJADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc2sc3ccccc3c2s1 ZINC000604346130 568264129 /nfs/dbraw/zinc/26/41/29/568264129.db2.gz KJNSXYPFKPYKBQ-CYBMUJFWSA-N 1 0 358.532 4.530 20 0 FJADRO CC[NH+](CC)[C@@H](CNC(=O)c1sccc1C)c1ccccc1Cl ZINC000022681720 568269864 /nfs/dbraw/zinc/26/98/64/568269864.db2.gz LYQVARIKFPVNMQ-INIZCTEOSA-N 1 0 350.915 4.523 20 0 FJADRO Cc1c2ccccc2oc1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000604416786 568275016 /nfs/dbraw/zinc/27/50/16/568275016.db2.gz GSUCXMJZIHMVFN-UHFFFAOYSA-N 1 0 351.837 4.870 20 0 FJADRO CSc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)CCC2 ZINC000563136261 568275331 /nfs/dbraw/zinc/27/53/31/568275331.db2.gz QVIWYKHDHOIOSR-FDORUFNTSA-N 1 0 359.560 4.874 20 0 FJADRO CC[C@H](C)Oc1cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)ccc1OC ZINC000604417268 568275432 /nfs/dbraw/zinc/27/54/32/568275432.db2.gz STEKTPNMJXHREY-ICSRJNTNSA-N 1 0 368.521 4.631 20 0 FJADRO Cc1ccc(-c2ncc(C[NH2+]CCc3ccc(-n4cccn4)cc3)s2)cc1 ZINC000604414993 568279633 /nfs/dbraw/zinc/27/96/33/568279633.db2.gz ZYRARNJNIXSIOM-UHFFFAOYSA-N 1 0 374.513 4.637 20 0 FJADRO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000303460194 568280059 /nfs/dbraw/zinc/28/00/59/568280059.db2.gz LHCDIOCTNHMZOK-IRXDYDNUSA-N 1 0 373.928 4.563 20 0 FJADRO Cc1ccc(-c2ncc(C[NH2+][C@H](C)COc3ccc(F)cc3F)s2)cc1 ZINC000604415235 568280341 /nfs/dbraw/zinc/28/03/41/568280341.db2.gz HYFYSLBOQQQAMD-CQSZACIVSA-N 1 0 374.456 4.954 20 0 FJADRO COc1ccc(CCC[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)cc1 ZINC000604415215 568280379 /nfs/dbraw/zinc/28/03/79/568280379.db2.gz FOIDPMMHXVOGTB-UHFFFAOYSA-N 1 0 352.503 4.850 20 0 FJADRO CCOc1ccc(-c2nc(CN3CC(C)(C)OCC3(C)C)cs2)cc1 ZINC000604388933 568281531 /nfs/dbraw/zinc/28/15/31/568281531.db2.gz ORJFIGHTSPPLIC-UHFFFAOYSA-N 1 0 360.523 4.598 20 0 FJADRO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000604393205 568283281 /nfs/dbraw/zinc/28/32/81/568283281.db2.gz UVIYMFSPBAUCKW-ICSRJNTNSA-N 1 0 350.506 4.935 20 0 FJADRO O=C(c1ccccc1Oc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150850511 568283788 /nfs/dbraw/zinc/28/37/88/568283788.db2.gz CCPQZYXCYJWZTE-LJQANCHMSA-N 1 0 364.489 4.569 20 0 FJADRO CCc1cccc(CC)c1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000604394096 568284070 /nfs/dbraw/zinc/28/40/70/568284070.db2.gz AQNQTKMWEJOQKV-LAUBAEHRSA-N 1 0 350.506 4.628 20 0 FJADRO CCc1ccc(CC[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000604383735 568287522 /nfs/dbraw/zinc/28/75/22/568287522.db2.gz HFJKCWDNGQSCTH-GASCZTMLSA-N 1 0 353.350 4.854 20 0 FJADRO C[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(Br)cc1 ZINC000094370172 568297290 /nfs/dbraw/zinc/29/72/90/568297290.db2.gz OSCLMTKFZKEXAA-BBRMVZONSA-N 1 0 370.356 4.545 20 0 FJADRO CSCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000604477493 568299753 /nfs/dbraw/zinc/29/97/53/568299753.db2.gz ZFVRGTVSSDDSKX-UHFFFAOYSA-N 1 0 369.317 4.698 20 0 FJADRO CCC(CC)C[N@H+](CC)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000051824400 568304126 /nfs/dbraw/zinc/30/41/26/568304126.db2.gz JPUSUZDGHJSSHZ-UHFFFAOYSA-N 1 0 368.481 4.958 20 0 FJADRO Cc1ccc([C@@H](Cc2ccccc2Br)[NH2+]C2CCOCC2)cc1 ZINC000463551084 568314263 /nfs/dbraw/zinc/31/42/63/568314263.db2.gz HRCIOYHYRKCUTH-HXUWFJFHSA-N 1 0 374.322 4.810 20 0 FJADRO CC(C)Cc1ccc([C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000604634217 568333125 /nfs/dbraw/zinc/33/31/25/568333125.db2.gz JEQZTQYSDDLRPU-IRLDBZIGSA-N 1 0 373.585 4.565 20 0 FJADRO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](CCC(C)C)C(C)(C)C)CC1 ZINC000604664409 568342306 /nfs/dbraw/zinc/34/23/06/568342306.db2.gz DAMNGSAMZKSXDK-IBGZPJMESA-N 1 0 353.595 4.601 20 0 FJADRO C[C@H]1CCC[C@@H](CCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000604667011 568344324 /nfs/dbraw/zinc/34/43/24/568344324.db2.gz JIRKCUHFNIZKOB-PMACEKPBSA-N 1 0 371.569 4.509 20 0 FJADRO C[C@@H]1CCC[C@H](CCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000604667014 568344329 /nfs/dbraw/zinc/34/43/29/568344329.db2.gz JIRKCUHFNIZKOB-WOJBJXKFSA-N 1 0 371.569 4.509 20 0 FJADRO Cc1cccc([C@H](C)NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1C ZINC000604669485 568344565 /nfs/dbraw/zinc/34/45/65/568344565.db2.gz KRACDNMDFMKLSR-SFTDATJTSA-N 1 0 371.569 4.662 20 0 FJADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H](C)c1ccccc1C ZINC000604696849 568351186 /nfs/dbraw/zinc/35/11/86/568351186.db2.gz NQOVNQUFNVHBEZ-LJQANCHMSA-N 1 0 368.521 4.848 20 0 FJADRO C[NH+](C)CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000604726890 568353405 /nfs/dbraw/zinc/35/34/05/568353405.db2.gz YDQQILBIZAMCBH-KEYYUXOJSA-N 1 0 371.352 4.580 20 0 FJADRO CC[C@@H](CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000604713764 568355186 /nfs/dbraw/zinc/35/51/86/568355186.db2.gz HUYZMIHTGCTXDY-PMACEKPBSA-N 1 0 364.533 4.912 20 0 FJADRO CCc1ccc([C@H](C)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000604713752 568355215 /nfs/dbraw/zinc/35/52/15/568355215.db2.gz GTYWABDSNDFQPA-RBUKOAKNSA-N 1 0 364.533 4.694 20 0 FJADRO Cc1ccc(CCC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)c1 ZINC000604713860 568355263 /nfs/dbraw/zinc/35/52/63/568355263.db2.gz QXYVUZSZTNRAKI-HXUWFJFHSA-N 1 0 364.533 4.578 20 0 FJADRO Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000604744440 568355983 /nfs/dbraw/zinc/35/59/83/568355983.db2.gz OYAUISRYCXZYKC-RTWAWAEBSA-N 1 0 356.554 4.603 20 0 FJADRO C[C@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1c(Cl)cccc1Cl ZINC000604727643 568357021 /nfs/dbraw/zinc/35/70/21/568357021.db2.gz HLDOCGHPVYDCPW-SWLSCSKDSA-N 1 0 359.341 4.580 20 0 FJADRO Cc1ccccc1[C@@H](C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000604742284 568359839 /nfs/dbraw/zinc/35/98/39/568359839.db2.gz RMMPFYBUMOJEKH-RBBKRZOGSA-N 1 0 364.533 4.517 20 0 FJADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000604766622 568362100 /nfs/dbraw/zinc/36/21/00/568362100.db2.gz KPJICJZMMDXBKM-IBGZPJMESA-N 1 0 362.498 4.590 20 0 FJADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000604766976 568362166 /nfs/dbraw/zinc/36/21/66/568362166.db2.gz ZALKEOYTGAYTSR-QFIPXVFZSA-N 1 0 356.469 4.528 20 0 FJADRO CC(C)c1ccc(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000604767461 568362336 /nfs/dbraw/zinc/36/23/36/568362336.db2.gz LGWGOEDJSZIMDJ-LJQANCHMSA-N 1 0 351.412 4.826 20 0 FJADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000604767850 568362436 /nfs/dbraw/zinc/36/24/36/568362436.db2.gz DJJUDXRVUAPZLE-QRWLVFNGSA-N 1 0 355.865 4.854 20 0 FJADRO OC[C@@H]([NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)c1cccc(F)c1 ZINC000604768438 568362572 /nfs/dbraw/zinc/36/25/72/568362572.db2.gz BQOPYLCQJLJOFY-OAQYLSRUSA-N 1 0 373.374 4.719 20 0 FJADRO Cc1ccc(CC[NH2+]Cc2csc(COc3ccc(C)cc3)n2)cc1 ZINC000604768441 568362603 /nfs/dbraw/zinc/36/26/03/568362603.db2.gz CAVDQVGOIJYQQJ-UHFFFAOYSA-N 1 0 352.503 4.671 20 0 FJADRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000604769759 568362776 /nfs/dbraw/zinc/36/27/76/568362776.db2.gz NFUBICOCIRVYIE-FUHWJXTLSA-N 1 0 374.525 4.727 20 0 FJADRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000604769765 568362851 /nfs/dbraw/zinc/36/28/51/568362851.db2.gz NFWPOFMUMQWMHL-HZPDHXFCSA-N 1 0 374.525 4.727 20 0 FJADRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000604772936 568363577 /nfs/dbraw/zinc/36/35/77/568363577.db2.gz XCLFLWRPFJQTIL-CVEARBPZSA-N 1 0 374.912 4.773 20 0 FJADRO CCc1cc2c(ncnc2NC2CC[NH+]([C@H](C)c3ccccc3)CC2)s1 ZINC000604757546 568365337 /nfs/dbraw/zinc/36/53/37/568365337.db2.gz IYMNVIOVWQWLDO-OAHLLOKOSA-N 1 0 366.534 4.891 20 0 FJADRO COc1cc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c(C2CC2)cc1Cl ZINC000655529964 568366184 /nfs/dbraw/zinc/36/61/84/568366184.db2.gz FKSJWHIYQNNADG-HXPMCKFVSA-N 1 0 358.869 4.501 20 0 FJADRO Cc1ccccc1[C@@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000604784909 568366404 /nfs/dbraw/zinc/36/64/04/568366404.db2.gz JPFNCEFFKHTRIT-RTBURBONSA-N 1 0 365.521 4.581 20 0 FJADRO CN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604787454 568366837 /nfs/dbraw/zinc/36/68/37/568366837.db2.gz CAZDXPMDNZIFAL-INIZCTEOSA-N 1 0 374.356 4.501 20 0 FJADRO Cc1ccc(Cl)cc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000604792289 568367705 /nfs/dbraw/zinc/36/77/05/568367705.db2.gz WJLIFUTUSJLRQF-INIZCTEOSA-N 1 0 371.912 4.996 20 0 FJADRO CSc1ccc(Cl)cc1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604799160 568368712 /nfs/dbraw/zinc/36/87/12/568368712.db2.gz XMADHCBGAZLYFX-HNNXBMFYSA-N 1 0 357.951 4.550 20 0 FJADRO CC(C)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000604827718 568376706 /nfs/dbraw/zinc/37/67/06/568376706.db2.gz XUXAGZRBKKAHOW-WOJBJXKFSA-N 1 0 371.569 4.680 20 0 FJADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1sccc1-c1ccc(C)cc1 ZINC000647747282 568377248 /nfs/dbraw/zinc/37/72/48/568377248.db2.gz MDSSWSXWBKIACM-KRWDZBQOSA-N 1 0 358.551 4.964 20 0 FJADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1(Sc2ccccc2)CCCC1 ZINC000604861349 568379307 /nfs/dbraw/zinc/37/93/07/568379307.db2.gz ZITSPOWQJNAPIY-IBGZPJMESA-N 1 0 374.594 4.862 20 0 FJADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 ZINC000604866328 568380262 /nfs/dbraw/zinc/38/02/62/568380262.db2.gz IQGCUBRLFNIEOJ-SIKLNZKXSA-N 1 0 358.570 4.787 20 0 FJADRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)C(=O)N(C)c1ccccc1 ZINC000604891857 568381927 /nfs/dbraw/zinc/38/19/27/568381927.db2.gz CBXYTUDFFHFUMJ-XLIONFOSSA-N 1 0 364.514 4.673 20 0 FJADRO C[C@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)C(=O)N(C)c1ccccc1 ZINC000604891855 568381993 /nfs/dbraw/zinc/38/19/93/568381993.db2.gz CBXYTUDFFHFUMJ-FXAWDEMLSA-N 1 0 364.514 4.673 20 0 FJADRO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)c1ccccc1 ZINC000604884126 568384415 /nfs/dbraw/zinc/38/44/15/568384415.db2.gz XPYNFSBGSQHBCF-OAHLLOKOSA-N 1 0 364.411 4.770 20 0 FJADRO CC[C@H](C)N(Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000604914084 568388603 /nfs/dbraw/zinc/38/86/03/568388603.db2.gz PENQMPMDEPJCRJ-PMACEKPBSA-N 1 0 359.558 4.509 20 0 FJADRO CCCC[C@@H](CC)CC(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000604936880 568400888 /nfs/dbraw/zinc/40/08/88/568400888.db2.gz UCBBDGFUBFCCKG-DNVCBOLYSA-N 1 0 361.917 4.886 20 0 FJADRO COc1ccc(-c2nc(C[N@H+](C)C3CCC(C)CC3)cs2)c(OC)c1 ZINC000061799197 568468397 /nfs/dbraw/zinc/46/83/97/568468397.db2.gz QMAPFZAZXSARLH-UHFFFAOYSA-N 1 0 360.523 4.838 20 0 FJADRO CCCC[C@H](CC)CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000604976027 568468904 /nfs/dbraw/zinc/46/89/04/568468904.db2.gz GSAXIECFUUTDEJ-FQEVSTJZSA-N 1 0 358.570 4.964 20 0 FJADRO C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000433074735 568503027 /nfs/dbraw/zinc/50/30/27/568503027.db2.gz FBZYAAXOAHCUPI-NFOMZHRRSA-N 1 0 354.416 4.505 20 0 FJADRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000605000329 568513866 /nfs/dbraw/zinc/51/38/66/568513866.db2.gz JBDRWWSBHNLPJG-LBPRGKRZSA-N 1 0 370.316 4.571 20 0 FJADRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000605000332 568513873 /nfs/dbraw/zinc/51/38/73/568513873.db2.gz JEXVHRRJHGYUKR-HNNXBMFYSA-N 1 0 353.388 4.766 20 0 FJADRO CC(C)Oc1cccc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC000051857549 568520599 /nfs/dbraw/zinc/52/05/99/568520599.db2.gz ATYLOCBKRMEFIJ-UHFFFAOYSA-N 1 0 373.443 4.847 20 0 FJADRO O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(-n2ccnc2)c1 ZINC000605077873 568555549 /nfs/dbraw/zinc/55/55/49/568555549.db2.gz FGDUBZVHQKJLMZ-UHFFFAOYSA-N 1 0 355.397 4.917 20 0 FJADRO C[N@@H+]1CCC[C@H](CNC(=O)CC(C)(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605103350 568566437 /nfs/dbraw/zinc/56/64/37/568566437.db2.gz RWMCPSBZPPCZBG-QAPCUYQASA-N 1 0 370.459 4.641 20 0 FJADRO C[C@](CO)([NH2+]Cc1cccc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000605151939 568580584 /nfs/dbraw/zinc/58/05/84/568580584.db2.gz JADSHCGZQRMZAV-HXUWFJFHSA-N 1 0 359.391 4.856 20 0 FJADRO FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CCSc2ccccc2)C1 ZINC000605150022 568587223 /nfs/dbraw/zinc/58/72/23/568587223.db2.gz FMPKVPKDEAMAEU-TXEJJXNPSA-N 1 0 357.363 4.841 20 0 FJADRO c1ccc(SCC[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000605150681 568587723 /nfs/dbraw/zinc/58/77/23/568587723.db2.gz OHXUEAVVXDLOIU-UHFFFAOYSA-N 1 0 365.502 4.708 20 0 FJADRO c1cc(-c2ccccc2)sc1C[NH2+]CCc1csc(N2CCCC2)n1 ZINC000605165248 568593566 /nfs/dbraw/zinc/59/35/66/568593566.db2.gz VLVUFTOLDLDJRR-UHFFFAOYSA-N 1 0 369.559 4.804 20 0 FJADRO CN1CCC[C@H](C[NH2+]Cc2cccs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165706 568594069 /nfs/dbraw/zinc/59/40/69/568594069.db2.gz RCUGFBYEODUPDX-CRAIPNDOSA-N 1 0 368.468 4.940 20 0 FJADRO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCS[C@@H](c4ccccc4)C3)cc2)n1 ZINC000605154506 568598956 /nfs/dbraw/zinc/59/89/56/568598956.db2.gz SGJQDTYWTOKUBE-JOCHJYFZSA-N 1 0 363.530 4.779 20 0 FJADRO COc1cc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)ccc1OC(F)F ZINC000605187588 568614999 /nfs/dbraw/zinc/61/49/99/568614999.db2.gz FXVYVKQHKYMZHO-SFHVURJKSA-N 1 0 365.445 4.587 20 0 FJADRO Cc1cccc([C@H]2CCCCC[N@@H+]2C[C@H](O)COCc2cccs2)c1 ZINC000605187804 568615387 /nfs/dbraw/zinc/61/53/87/568615387.db2.gz QKPIQGQXHZSFSB-PZJWPPBQSA-N 1 0 359.535 4.551 20 0 FJADRO CC[C@H](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000606161081 568679906 /nfs/dbraw/zinc/67/99/06/568679906.db2.gz CNRJTYOAJRDPEY-CTNGQTDRSA-N 1 0 368.521 4.815 20 0 FJADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)c1cccs1)c1ccccc1Cl ZINC000606162318 568681004 /nfs/dbraw/zinc/68/10/04/568681004.db2.gz YYMIFMRIPAWDBB-YOEHRIQHSA-N 1 0 364.942 4.704 20 0 FJADRO C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1cccs1 ZINC000606163083 568681457 /nfs/dbraw/zinc/68/14/57/568681457.db2.gz WLZVXBICTRTZEP-HOTGVXAUSA-N 1 0 362.564 4.503 20 0 FJADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1coc(-c2ccccc2)n1 ZINC000606174198 568690225 /nfs/dbraw/zinc/69/02/25/568690225.db2.gz RTKIVOHDHMJAMX-UHFFFAOYSA-N 1 0 361.445 4.580 20 0 FJADRO CCCN(C(=O)[C@H](C)c1ccsc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000606187811 568709388 /nfs/dbraw/zinc/70/93/88/568709388.db2.gz HPUMSUYHBGUFGQ-WIYYLYMNSA-N 1 0 370.562 4.755 20 0 FJADRO CC(C)c1ccc([C@H](C)CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000606195041 568714551 /nfs/dbraw/zinc/71/45/51/568714551.db2.gz MQAHSFCNZBTNIU-KNQAVFIVSA-N 1 0 356.554 4.781 20 0 FJADRO CC(C)c1ccc([C@@H](C)CC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000606195042 568714565 /nfs/dbraw/zinc/71/45/65/568714565.db2.gz MQAHSFCNZBTNIU-SIKLNZKXSA-N 1 0 356.554 4.781 20 0 FJADRO