smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(c1ccc(Cl)cc1)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000001167546 132239951 /nfs/dbraw/zinc/23/99/51/132239951.db2.gz CWJCGGJIZPBSHI-UHFFFAOYSA-N 1 0 419.978 3.315 50 0 HGAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3cccc(O)c3)CC2)CC1 ZINC000004676915 132282316 /nfs/dbraw/zinc/28/23/16/132282316.db2.gz PDPSLVDCNUZYFL-UHFFFAOYSA-N 1 0 423.557 3.352 50 0 HGAARO CCCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](C)CC2)c1 ZINC000004749450 132287395 /nfs/dbraw/zinc/28/73/95/132287395.db2.gz ZGJLWCMJECARIT-UHFFFAOYSA-N 1 0 411.502 3.266 50 0 HGAARO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N1CCN(c2ccccn2)CC1 ZINC000007554467 132325050 /nfs/dbraw/zinc/32/50/50/132325050.db2.gz ZBWIXZCTIYQNEP-SFHVURJKSA-N 1 0 421.570 3.220 50 0 HGAARO O[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000011821483 132351109 /nfs/dbraw/zinc/35/11/09/132351109.db2.gz YTAFHWNYZIAPCP-JWQCQUIFSA-N 1 0 420.532 3.131 50 0 HGAARO CCOc1ccc(C[NH2+]Cc2cccnc2N2CCN(C(C)=O)CC2)cc1Cl ZINC000012073431 132353546 /nfs/dbraw/zinc/35/35/46/132353546.db2.gz ZYXSUTCYWMVKQF-UHFFFAOYSA-N 1 0 402.926 3.092 50 0 HGAARO CC[NH+](CC)CCCNC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21 ZINC000020579231 520611665 /nfs/dbraw/zinc/61/16/65/520611665.db2.gz QZPPGNXMZDKTAX-UHFFFAOYSA-N 1 0 410.518 3.349 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 ZINC000031984576 520838095 /nfs/dbraw/zinc/83/80/95/520838095.db2.gz VBHHOOQOVGGJLV-WMZOPIPTSA-N 1 0 403.548 3.393 50 0 HGAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)Cc3c(F)cccc3Cl)cc2)CC1 ZINC000032933061 521687942 /nfs/dbraw/zinc/68/79/42/521687942.db2.gz DTXSDARKRUCSOV-UHFFFAOYSA-N 1 0 403.929 3.476 50 0 HGAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)/C=C/c2cc(OC)ccc2OC)CC1 ZINC000032915638 521688551 /nfs/dbraw/zinc/68/85/51/521688551.db2.gz OCTSQGOPUDESMO-FMIVXFBMSA-N 1 0 423.557 3.171 50 0 HGAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000045740230 521699929 /nfs/dbraw/zinc/69/99/29/521699929.db2.gz VRWQILAMOAUUBR-UHFFFAOYSA-N 1 0 408.424 3.417 50 0 HGAARO CC[C@H](CNC(=O)COc1ccc(C(C)=O)cc1OC)[N@@H+]1CCc2ccccc2C1 ZINC000032446210 522174000 /nfs/dbraw/zinc/17/40/00/522174000.db2.gz KOYDGEPONYNAKK-OAQYLSRUSA-N 1 0 410.514 3.230 50 0 HGAARO C[N@@H+]1CCCN(C(=O)c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)CC1 ZINC000040355947 523807063 /nfs/dbraw/zinc/80/70/63/523807063.db2.gz RHBNPURUZTXBDV-UHFFFAOYSA-N 1 0 412.437 3.192 50 0 HGAARO CN(C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1)[C@H]1CC[N@H+](C)C1 ZINC000040355839 523963019 /nfs/dbraw/zinc/96/30/19/523963019.db2.gz KUPQQFWWEGBLJM-NSHDSACASA-N 1 0 413.330 3.478 50 0 HGAARO C[NH+](C)CCCNC(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355793 524056982 /nfs/dbraw/zinc/05/69/82/524056982.db2.gz GSUJUCJQESMIAA-UHFFFAOYSA-N 1 0 401.319 3.384 50 0 HGAARO Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000032728641 525044530 /nfs/dbraw/zinc/04/45/30/525044530.db2.gz WUGFIVQLFCDCRB-JOCHJYFZSA-N 1 0 411.521 3.405 50 0 HGAARO COc1ccc([C@@H](CNC(=O)COC(=O)c2ccoc2C)[NH+]2CCCCC2)cc1 ZINC000032865233 525182758 /nfs/dbraw/zinc/18/27/58/525182758.db2.gz XTZWZZOQWXKFHX-HXUWFJFHSA-N 1 0 400.475 3.097 50 0 HGAARO COc1ccc([C@H](CNC(=O)COC(=O)c2ccoc2C)[NH+]2CCCCC2)cc1 ZINC000032865234 525356859 /nfs/dbraw/zinc/35/68/59/525356859.db2.gz XTZWZZOQWXKFHX-FQEVSTJZSA-N 1 0 400.475 3.097 50 0 HGAARO COc1ccc2c(c1)C=C(CN1CC[N@H+](Cc3cccs3)[C@H](CCO)C1)CO2 ZINC000043119838 525510654 /nfs/dbraw/zinc/51/06/54/525510654.db2.gz HXVQVSFPQOYDTP-LJQANCHMSA-N 1 0 400.544 3.101 50 0 HGAARO CSc1ccccc1NC(=O)C(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043941003 526165513 /nfs/dbraw/zinc/16/55/13/526165513.db2.gz SRROGIWZFOFPCK-UHFFFAOYSA-N 1 0 403.573 3.437 50 0 HGAARO O=C(CC[NH+]1CCN(CCOc2ccccc2Cl)CC1)N1CCc2ccccc21 ZINC000032870950 526487827 /nfs/dbraw/zinc/48/78/27/526487827.db2.gz GNEVKXFKJQUJNO-UHFFFAOYSA-N 1 0 413.949 3.316 50 0 HGAARO Cc1oc(-c2ccccc2)nc1CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000032759889 526738975 /nfs/dbraw/zinc/73/89/75/526738975.db2.gz PKGCOGJQZMCTNV-UHFFFAOYSA-N 1 0 418.541 3.127 50 0 HGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000032816973 526922696 /nfs/dbraw/zinc/92/26/96/526922696.db2.gz AGGYPQMZOJXFGE-MRXNPFEDSA-N 1 0 415.419 3.290 50 0 HGAARO CCOc1ccccc1NC(=O)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697996 535526519 /nfs/dbraw/zinc/52/65/19/535526519.db2.gz BMJDZSJBNANJCB-UHFFFAOYSA-N 1 0 419.489 3.368 50 0 HGAARO COc1cc(C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc(OC)c1OC ZINC000000652166 557038972 /nfs/dbraw/zinc/03/89/72/557038972.db2.gz ZQEYRVRDNCHNJP-UHFFFAOYSA-N 1 0 414.546 3.295 50 0 HGAARO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000000896543 557113534 /nfs/dbraw/zinc/11/35/34/557113534.db2.gz DJBNUMBKLMJRSA-LLVKDONJSA-N 1 0 414.346 3.441 50 0 fda HGAARO CCOC(=O)c1ccccc1C(=O)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515223 557354087 /nfs/dbraw/zinc/35/40/87/557354087.db2.gz VEZBUNDOAZDLJS-UHFFFAOYSA-N 1 0 409.482 3.433 50 0 HGAARO CCCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677544 557365329 /nfs/dbraw/zinc/36/53/29/557365329.db2.gz ODFOYOSAILKRAW-SFHVURJKSA-N 1 0 420.941 3.249 50 0 HGAARO Cc1cccc(-n2nc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)nc2CCc2ccccc2)c1 ZINC000034911811 557476573 /nfs/dbraw/zinc/47/65/73/557476573.db2.gz SMYYSHGBSFZZAE-NRFANRHFSA-N 1 0 403.530 3.137 50 0 HGAARO CC[NH+](CC)CCCNC(=O)c1c(C)noc1-c1cc(OC)c(OC)c(OC)c1 ZINC000022643951 557490074 /nfs/dbraw/zinc/49/00/74/557490074.db2.gz NSAJIXKMCJSJTK-UHFFFAOYSA-N 1 0 405.495 3.138 50 0 HGAARO C[C@H](CCNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1)[NH+]1CCCCCC1 ZINC000035373760 557527043 /nfs/dbraw/zinc/52/70/43/557527043.db2.gz BDEXQECCXQJVLS-LJQANCHMSA-N 1 0 423.561 3.204 50 0 HGAARO COc1cc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)ccc1F ZINC000004373611 557548255 /nfs/dbraw/zinc/54/82/55/557548255.db2.gz KYYZHGSCDHYNAM-UHFFFAOYSA-N 1 0 408.539 3.109 50 0 HGAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000004507092 557561412 /nfs/dbraw/zinc/56/14/12/557561412.db2.gz TTZOAJROFJJRLX-UHFFFAOYSA-N 1 0 400.475 3.455 50 0 HGAARO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000005726262 557671189 /nfs/dbraw/zinc/67/11/89/557671189.db2.gz WZRLCVMIBSORLN-QGZVFWFLSA-N 1 0 405.376 3.086 50 0 HGAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000007843080 557764780 /nfs/dbraw/zinc/76/47/80/557764780.db2.gz RYXGEWCSUKTRON-UHFFFAOYSA-N 1 0 400.475 3.455 50 0 HGAARO CCOC(=O)C1CC[NH+]([C@@H](c2cccs2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697537 557784311 /nfs/dbraw/zinc/78/43/11/557784311.db2.gz ZCIUTGBITYEVIZ-IBGZPJMESA-N 1 0 404.532 3.308 50 0 HGAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccccc2Br)c2ccc(F)cc2)CC1 ZINC000022794675 557822001 /nfs/dbraw/zinc/82/20/01/557822001.db2.gz PZKDZMNXMNVFAC-IBGZPJMESA-N 1 0 420.326 3.307 50 0 HGAARO c1ccc(CC[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000019744629 558265213 /nfs/dbraw/zinc/26/52/13/558265213.db2.gz YDAQLLXUYXEECB-HSZRJFAPSA-N 1 0 407.558 3.240 50 0 HGAARO Cc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(C(=O)N2CCC[C@H](O)C2)c1 ZINC000011667995 558269803 /nfs/dbraw/zinc/26/98/03/558269803.db2.gz XNZDPODQIYHFIV-FQEVSTJZSA-N 1 0 409.530 3.030 50 0 HGAARO O=C(c1cccc(OC2CC[NH+](CCc3ccccc3)CC2)c1)N1CCC[C@H]1CO ZINC000011815126 558278948 /nfs/dbraw/zinc/27/89/48/558278948.db2.gz IHVQSDZLKWRIJD-QFIPXVFZSA-N 1 0 408.542 3.369 50 0 HGAARO COC[C@H]1CC[N@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000011819754 558283039 /nfs/dbraw/zinc/28/30/39/558283039.db2.gz QIBLWPGWKMAYJU-NRFANRHFSA-N 1 0 420.557 3.426 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C/C=C/c2ccco2)CC1 ZINC000011842235 558287488 /nfs/dbraw/zinc/28/74/88/558287488.db2.gz HPLMTRWOVJNLNV-HWKANZROSA-N 1 0 414.502 3.221 50 0 HGAARO COc1ccc(CNCc2cc(F)ccc2F)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011878631 558293058 /nfs/dbraw/zinc/29/30/58/558293058.db2.gz BMMGKIZZNQCDGA-HXUWFJFHSA-N 1 0 420.500 3.489 50 0 HGAARO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012001544 558308367 /nfs/dbraw/zinc/30/83/67/558308367.db2.gz UDELWFJCDJEDQO-HXUWFJFHSA-N 1 0 410.514 3.305 50 0 HGAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc[n+]([O-])cc1 ZINC000012005159 558308883 /nfs/dbraw/zinc/30/88/83/558308883.db2.gz DXLSWKOPJDJFKF-GOSISDBHSA-N 1 0 421.463 3.366 50 0 HGAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000012041706 558313015 /nfs/dbraw/zinc/31/30/15/558313015.db2.gz PNVWURPEMFQVEH-UHFFFAOYSA-N 1 0 422.508 3.417 50 0 HGAARO O=C(CCC1CC[NH+](Cc2cccn2-c2nccs2)CC1)NC[C@H]1CCCO1 ZINC000012072315 558317502 /nfs/dbraw/zinc/31/75/02/558317502.db2.gz VLTXCCAFSUTDEI-LJQANCHMSA-N 1 0 402.564 3.221 50 0 HGAARO Cc1c2ccccc2[nH]c1C[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 ZINC000012072383 558317833 /nfs/dbraw/zinc/31/78/33/558317833.db2.gz HWIIMKYATPZISH-QGZVFWFLSA-N 1 0 407.518 3.485 50 0 HGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cn(Cc2ccccc2F)nn1 ZINC000012090476 558323950 /nfs/dbraw/zinc/32/39/50/558323950.db2.gz NITYBTUYBMICJN-LJQANCHMSA-N 1 0 407.493 3.108 50 0 HGAARO Cc1cc(C)n(CC[NH2+]Cc2cc3ccc(F)cc3n(Cc3cccnc3)c2=O)n1 ZINC000012152883 558339647 /nfs/dbraw/zinc/33/96/47/558339647.db2.gz FFLGDACDNNJIFR-UHFFFAOYSA-N 1 0 405.477 3.187 50 0 HGAARO CC[NH+](CC)CCNC(=O)/C(=C\c1cccc(Br)c1)n1ccccc1=O ZINC000020169582 558343408 /nfs/dbraw/zinc/34/34/08/558343408.db2.gz XSZIFZZYDSHLJU-OBGWFSINSA-N 1 0 418.335 3.067 50 0 HGAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC000020449828 558364815 /nfs/dbraw/zinc/36/48/15/558364815.db2.gz UOSHCDHVTQJRLY-QHCPKHFHSA-N 1 0 422.573 3.440 50 0 HGAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1cc3ccccc3o1)CC2)c1cccc(F)c1 ZINC000020451117 558365566 /nfs/dbraw/zinc/36/55/66/558365566.db2.gz GJMUPPNCFLOTAC-UHFFFAOYSA-N 1 0 419.460 3.152 50 0 HGAARO O=C(NCc1ccc(Cl)s1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012299406 558369549 /nfs/dbraw/zinc/36/95/49/558369549.db2.gz UWOFXAOPZJVUGK-OAHLLOKOSA-N 1 0 409.983 3.131 50 0 HGAARO CCCCn1c(CN(C)C[C@@H]2CCC[N@@H+]2C)cnc1S(=O)(=O)C1CCCCC1 ZINC000020514628 558382669 /nfs/dbraw/zinc/38/26/69/558382669.db2.gz DYXRVFKRBMEWEH-SFHVURJKSA-N 1 0 410.628 3.316 50 0 HGAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000012387351 558396064 /nfs/dbraw/zinc/39/60/64/558396064.db2.gz CINXIDBRTUEDTE-INIZCTEOSA-N 1 0 412.925 3.418 50 0 HGAARO CSc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1 ZINC000020638167 558396662 /nfs/dbraw/zinc/39/66/62/558396662.db2.gz ALZVELSXXZIEBD-UHFFFAOYSA-N 1 0 408.531 3.235 50 0 HGAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccnn2C)CC1 ZINC000012433079 558407273 /nfs/dbraw/zinc/40/72/73/558407273.db2.gz DBWIWENEUZQKBK-JOCHJYFZSA-N 1 0 410.562 3.262 50 0 HGAARO CN(C(=O)COc1ncnc2ccccc21)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012443152 558412995 /nfs/dbraw/zinc/41/29/95/558412995.db2.gz UQFDMQPYMVCOEN-FQEVSTJZSA-N 1 0 416.525 3.099 50 0 HGAARO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012455440 558417019 /nfs/dbraw/zinc/41/70/19/558417019.db2.gz QFDXMROOQPLSTL-XMMPIXPASA-N 1 0 408.546 3.432 50 0 HGAARO CN(C)c1ncc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)s1 ZINC000020908294 558421403 /nfs/dbraw/zinc/42/14/03/558421403.db2.gz RDQNZHFWSLVKHP-UHFFFAOYSA-N 1 0 402.568 3.371 50 0 HGAARO Cc1cccn2c(C[NH2+]CCc3ccc(Cl)cc3)c(C(=O)N3CCOCC3)nc12 ZINC000020913036 558422335 /nfs/dbraw/zinc/42/23/35/558422335.db2.gz LTTKKPNLZUYVRO-UHFFFAOYSA-N 1 0 412.921 3.101 50 0 HGAARO CN(C(=O)CCc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012479267 558423128 /nfs/dbraw/zinc/42/31/28/558423128.db2.gz JUBFOHGVYKUDPH-NRFANRHFSA-N 1 0 406.526 3.438 50 0 HGAARO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccn3-c3ncccn3)C2)CC1 ZINC000020998429 558427478 /nfs/dbraw/zinc/42/74/78/558427478.db2.gz MKCXSDICNCIYER-FQEVSTJZSA-N 1 0 420.536 3.193 50 0 HGAARO Cn1cc(C(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)c(=O)c2ccccc21 ZINC000012574186 558430384 /nfs/dbraw/zinc/43/03/84/558430384.db2.gz UMMQVTFIOPLQTA-HXUWFJFHSA-N 1 0 403.526 3.318 50 0 HGAARO O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012582900 558433110 /nfs/dbraw/zinc/43/31/10/558433110.db2.gz COWIOGCWOGYWEJ-NRFANRHFSA-N 1 0 404.514 3.493 50 0 HGAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncn3nc(-c4ccccc4C)nc3c12 ZINC000021801912 558450309 /nfs/dbraw/zinc/45/03/09/558450309.db2.gz OEULFMZBMNBCGK-UHFFFAOYSA-N 1 0 404.518 3.394 50 0 HGAARO Cc1ccsc1CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012715637 558454910 /nfs/dbraw/zinc/45/49/10/558454910.db2.gz BVAQZWMCOYRWRH-SFHVURJKSA-N 1 0 403.592 3.128 50 0 HGAARO COC(=O)CCCC(=O)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012760803 558460871 /nfs/dbraw/zinc/46/08/71/558460871.db2.gz XRPINWLZIKITOL-QGZVFWFLSA-N 1 0 408.489 3.369 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1 ZINC000012981013 558493363 /nfs/dbraw/zinc/49/33/63/558493363.db2.gz UVAAEBLVSTTZSL-GOSISDBHSA-N 1 0 403.523 3.159 50 0 HGAARO COc1cccc([C@H](CNC(=O)CCc2c(C)nc3cc(C)nn3c2C)[NH+](C)C)c1 ZINC000022683544 558504424 /nfs/dbraw/zinc/50/44/24/558504424.db2.gz BRDBKYHIYQNHQY-NRFANRHFSA-N 1 0 409.534 3.015 50 0 HGAARO CCCn1c2ccccc2n(CCC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1=O ZINC000022682473 558504431 /nfs/dbraw/zinc/50/44/31/558504431.db2.gz BPABRIDBGZIOKM-NRFANRHFSA-N 1 0 412.509 3.161 50 0 HGAARO Cn1cc(C[NH2+]CCN2CCC(O)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000022918593 558522129 /nfs/dbraw/zinc/52/21/29/558522129.db2.gz JUWGSBHROXWVOF-UHFFFAOYSA-N 1 0 406.530 3.426 50 0 HGAARO C[NH+]1CCC(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000023242119 558545383 /nfs/dbraw/zinc/54/53/83/558545383.db2.gz RUNFVQOJEGSUQD-UHFFFAOYSA-N 1 0 404.864 3.181 50 0 HGAARO CCc1nc(-c2ccc(C)c(S(=O)(=O)NCCC[NH+]3CCCCCC3)c2)no1 ZINC000064980349 558547855 /nfs/dbraw/zinc/54/78/55/558547855.db2.gz AFTZCRYFVUCNMS-UHFFFAOYSA-N 1 0 406.552 3.152 50 0 HGAARO O=C(c1nc2sccn2c1C[NH2+]CC1(c2ccccc2)CCOCC1)N1CCCC1 ZINC000023339056 558550231 /nfs/dbraw/zinc/55/02/31/558550231.db2.gz GMWXMTYGFKRXIS-UHFFFAOYSA-N 1 0 424.570 3.470 50 0 HGAARO OCC[C@@H]1CN(Cc2cccn2-c2nccs2)CC[N@@H+]1CCCc1ccccc1 ZINC000023373643 558553678 /nfs/dbraw/zinc/55/36/78/558553678.db2.gz RIOYQIWRUOWAMW-OAQYLSRUSA-N 1 0 410.587 3.435 50 0 HGAARO OCC[C@H]1CN(Cc2cccn2-c2nccs2)CC[N@@H+]1CCCc1ccccc1 ZINC000023373645 558553764 /nfs/dbraw/zinc/55/37/64/558553764.db2.gz RIOYQIWRUOWAMW-NRFANRHFSA-N 1 0 410.587 3.435 50 0 HGAARO O=C(CCNC(=O)c1ccccc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000024045350 558586247 /nfs/dbraw/zinc/58/62/47/558586247.db2.gz XGFGUHNPEWDHHY-UHFFFAOYSA-N 1 0 401.510 3.304 50 0 HGAARO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 ZINC000024926292 558620837 /nfs/dbraw/zinc/62/08/37/558620837.db2.gz CPIAYSMRANNXBJ-UHFFFAOYSA-N 1 0 401.532 3.103 50 0 HGAARO Cc1nn(C)c2nc(C)c(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c(C)c12 ZINC000024969889 558623014 /nfs/dbraw/zinc/62/30/14/558623014.db2.gz ZICDVDAHKNXIOS-FQEVSTJZSA-N 1 0 405.546 3.217 50 0 HGAARO CC1CCN(S(=O)(=O)c2ccc(C(=O)NCC(C)(C)[NH+]3CCCCC3)cc2)CC1 ZINC000014182839 558628994 /nfs/dbraw/zinc/62/89/94/558628994.db2.gz UGAXORZPJASFJJ-UHFFFAOYSA-N 1 0 421.607 3.102 50 0 HGAARO COc1ccc(CCNC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1OC ZINC000025114008 558631957 /nfs/dbraw/zinc/63/19/57/558631957.db2.gz AWZCQKNMWRPOMC-UHFFFAOYSA-N 1 0 412.534 3.128 50 0 HGAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](C1CCCCCC1)CC2 ZINC000014534678 558657572 /nfs/dbraw/zinc/65/75/72/558657572.db2.gz NUKHGDNOQCSBAP-UHFFFAOYSA-N 1 0 414.550 3.050 50 0 HGAARO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(Cl)cc3Cl)cn2)CC1 ZINC000026284479 558658301 /nfs/dbraw/zinc/65/83/01/558658301.db2.gz GZRKORXVVDAYCO-UHFFFAOYSA-N 1 0 408.333 3.140 50 0 HGAARO CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3sc4ccccc4c3Cl)CN2C1=O ZINC000014733753 558666364 /nfs/dbraw/zinc/66/63/64/558666364.db2.gz KOGFXAVEQMWKPP-CFVMTHIKSA-N 1 0 405.951 3.158 50 0 HGAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](C1CCSCC1)CC2 ZINC000014741631 558667130 /nfs/dbraw/zinc/66/71/30/558667130.db2.gz HUSKSKFFDOVNJV-UHFFFAOYSA-N 1 0 416.591 3.232 50 0 HGAARO COCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccccc2)C1 ZINC000014743083 558667877 /nfs/dbraw/zinc/66/78/77/558667877.db2.gz LDPGIFLFMMMIQY-LEWJYISDSA-N 1 0 414.521 3.496 50 0 HGAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000014748879 558670134 /nfs/dbraw/zinc/67/01/34/558670134.db2.gz XNKCOEGIXCTIHG-OAQYLSRUSA-N 1 0 410.562 3.489 50 0 HGAARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](Cc3cccc(OC)c3OC)CC2)C1=O ZINC000014749496 558670429 /nfs/dbraw/zinc/67/04/29/558670429.db2.gz CJMRRRNNBQUQML-UHFFFAOYSA-N 1 0 417.550 3.369 50 0 HGAARO COc1cccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)c1 ZINC000014749317 558670450 /nfs/dbraw/zinc/67/04/50/558670450.db2.gz HNCPTFGJDDGIPF-HXUWFJFHSA-N 1 0 418.541 3.289 50 0 HGAARO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](C[C@@H]2CC=CCC2)CC3)CC1 ZINC000014882438 558676625 /nfs/dbraw/zinc/67/66/25/558676625.db2.gz RRTYXIISTKYERG-QUCCMNQESA-N 1 0 403.567 3.182 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCCC[C@H]2CO)c1 ZINC000014948794 558680629 /nfs/dbraw/zinc/68/06/29/558680629.db2.gz DQWKVIUEPIVQSV-IBGZPJMESA-N 1 0 416.562 3.468 50 0 HGAARO CC[N@H+](C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014955740 558682376 /nfs/dbraw/zinc/68/23/76/558682376.db2.gz VFDSLGOGCBSIRD-JOCHJYFZSA-N 1 0 401.595 3.283 50 0 HGAARO Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000027793298 558682595 /nfs/dbraw/zinc/68/25/95/558682595.db2.gz WVMUIGIBPLKRIR-FQEVSTJZSA-N 1 0 401.938 3.132 50 0 HGAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@@H](C)CC(C)(C)O)CC2)c(Cl)c1 ZINC000014957944 558682946 /nfs/dbraw/zinc/68/29/46/558682946.db2.gz SIGXGDTWRZEZJG-HNNXBMFYSA-N 1 0 412.958 3.109 50 0 HGAARO CC(C)c1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000014959844 558683656 /nfs/dbraw/zinc/68/36/56/558683656.db2.gz GXNWQVVOACIULY-INIZCTEOSA-N 1 0 422.508 3.368 50 0 HGAARO O=C(C1CC[NH+](C2CCN(Cc3ccc(O)c(Cl)c3)CC2)CC1)N1CCCC1 ZINC000014972808 558688031 /nfs/dbraw/zinc/68/80/31/558688031.db2.gz UPMWPMZXIFYRGT-UHFFFAOYSA-N 1 0 405.970 3.344 50 0 HGAARO O=C1CCCCN1CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000014981012 558691397 /nfs/dbraw/zinc/69/13/97/558691397.db2.gz WLJNAGWEDANFCU-UHFFFAOYSA-N 1 0 418.497 3.370 50 0 HGAARO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc5nonc5c4)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000015062540 558705392 /nfs/dbraw/zinc/70/53/92/558705392.db2.gz QDIGQPAIIPLNNW-HYVJGQCMSA-N 1 0 404.470 3.169 50 0 HGAARO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016012109 558766500 /nfs/dbraw/zinc/76/65/00/558766500.db2.gz NAGKCLVBCKSYTI-KGYLXKDPSA-N 1 0 423.900 3.229 50 0 HGAARO CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCc2ccccc2C1)OCO3 ZINC000034847925 558784628 /nfs/dbraw/zinc/78/46/28/558784628.db2.gz LYURDMGWTPAOKT-UHFFFAOYSA-N 1 0 421.453 3.070 50 0 HGAARO COc1cccc(-c2cc3nc(SCC[NH+]4CCCCC4)n(N)c(=O)c3s2)c1 ZINC000036646163 558800745 /nfs/dbraw/zinc/80/07/45/558800745.db2.gz YZPUAPIQKQEHKV-UHFFFAOYSA-N 1 0 416.572 3.425 50 0 HGAARO COc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016752959 558805312 /nfs/dbraw/zinc/80/53/12/558805312.db2.gz AEDICOFGHJTWSP-FQEVSTJZSA-N 1 0 410.445 3.438 50 0 HGAARO COc1ccc(NC(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000017012188 558811657 /nfs/dbraw/zinc/81/16/57/558811657.db2.gz RGTXJAKQRSAAKZ-UHFFFAOYSA-N 1 0 410.522 3.138 50 0 HGAARO COc1cc(OC)c(OC)cc1CN1CC[N@H+](CC2CCCCC2)[C@H](CCO)C1 ZINC000039447052 558821436 /nfs/dbraw/zinc/82/14/36/558821436.db2.gz HEHRYADQWKJZGA-HXUWFJFHSA-N 1 0 406.567 3.161 50 0 HGAARO Cc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(C(=O)N2CCC[C@H]2CO)c1 ZINC000039468224 558821713 /nfs/dbraw/zinc/82/17/13/558821713.db2.gz GDUGFVPNAVWVJW-FQEVSTJZSA-N 1 0 409.530 3.030 50 0 HGAARO Cc1cc2nc3sc(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)cc(=O)n3c2cc1C ZINC000033009105 558828332 /nfs/dbraw/zinc/82/83/32/558828332.db2.gz IDONNBYIRNLICF-CQSZACIVSA-N 1 0 412.559 3.378 50 0 HGAARO Cc1cc(C)c(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1C ZINC000019225042 558852539 /nfs/dbraw/zinc/85/25/39/558852539.db2.gz ORXZERWSJWWWKB-GOSISDBHSA-N 1 0 407.518 3.346 50 0 HGAARO O=C(CCc1cccnc1)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055060862 558871149 /nfs/dbraw/zinc/87/11/49/558871149.db2.gz LWQOXPSBZXPDQY-QFIPXVFZSA-N 1 0 412.965 3.481 50 0 HGAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1CC[NH+](C2CCCCC2)CC1 ZINC000019372030 558879507 /nfs/dbraw/zinc/87/95/07/558879507.db2.gz JWAJIOYGIZUNAH-MRXNPFEDSA-N 1 0 412.534 3.232 50 0 HGAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000004706131 558912715 /nfs/dbraw/zinc/91/27/15/558912715.db2.gz MYGWHAFGLKCPJC-JOCHJYFZSA-N 1 0 411.590 3.239 50 0 HGAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(Br)c3)cc2)C1 ZINC000058306542 558918204 /nfs/dbraw/zinc/91/82/04/558918204.db2.gz NRAIGUCVOCLSJB-ZDUSSCGKSA-N 1 0 422.348 3.460 50 0 HGAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000058441234 558927623 /nfs/dbraw/zinc/92/76/23/558927623.db2.gz KABBWVBJPYNDIN-NRFANRHFSA-N 1 0 424.541 3.304 50 0 HGAARO Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2cc(C)c(C)cc2C)[nH+]1 ZINC000072140646 558929185 /nfs/dbraw/zinc/92/91/85/558929185.db2.gz GFASWMFJQLEMOY-UHFFFAOYSA-N 1 0 417.579 3.091 50 0 HGAARO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn32)cc1 ZINC000059336030 558934210 /nfs/dbraw/zinc/93/42/10/558934210.db2.gz WYBBDKAXWZNHTP-FQEVSTJZSA-N 1 0 407.518 3.427 50 0 HGAARO C[NH+](C)CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021809833 558953052 /nfs/dbraw/zinc/95/30/52/558953052.db2.gz DALDEPSXSVTCDB-QFIPXVFZSA-N 1 0 416.591 3.318 50 0 HGAARO CSc1cccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c1 ZINC000064800116 558965739 /nfs/dbraw/zinc/96/57/39/558965739.db2.gz GVYJCYCIWFQGMN-UHFFFAOYSA-N 1 0 412.563 3.461 50 0 HGAARO Cc1ccc([C@H](NC(=O)CCc2cc3n(n2)CCC[NH2+]C3)c2cccnc2)cc1C ZINC000072423101 558978601 /nfs/dbraw/zinc/97/86/01/558978601.db2.gz MGORTPMWOCTABL-DEOSSOPVSA-N 1 0 403.530 3.227 50 0 HGAARO COc1cc(C[N@@H+](Cc2cc(=O)n3ccsc3n2)CC(C)C)cc(OC)c1OC ZINC000033068989 558981546 /nfs/dbraw/zinc/98/15/46/558981546.db2.gz DLBACOZQFPXJTE-UHFFFAOYSA-N 1 0 417.531 3.440 50 0 HGAARO COc1ccc(C)cc1NC(=O)N1CCN(c2nc(N3CCCCC3)cc(C)[nH+]2)CC1 ZINC000067612880 558988987 /nfs/dbraw/zinc/98/89/87/558988987.db2.gz XWFDNYAFUIKHGF-UHFFFAOYSA-N 1 0 424.549 3.446 50 0 HGAARO C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)CC1 ZINC000077407781 559004354 /nfs/dbraw/zinc/00/43/54/559004354.db2.gz QOTLPXPWGDMMCC-UHFFFAOYSA-N 1 0 410.562 3.496 50 0 HGAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000023115034 559012589 /nfs/dbraw/zinc/01/25/89/559012589.db2.gz ZYNATUNTWGFCSD-APNVUFTPSA-N 1 0 414.590 3.411 50 0 HGAARO CC[NH+](CC)CCSc1nnc(N2CCN(c3ccccc3OC)CC2)s1 ZINC000023139953 559020066 /nfs/dbraw/zinc/02/00/66/559020066.db2.gz QGIAVRJKRPOKBG-UHFFFAOYSA-N 1 0 407.609 3.307 50 0 HGAARO CSCCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082126117 559039792 /nfs/dbraw/zinc/03/97/92/559039792.db2.gz XZKXUVZETDEGOL-QGZVFWFLSA-N 1 0 416.591 3.378 50 0 HGAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cscn3)CC2)C1 ZINC000082138752 559040657 /nfs/dbraw/zinc/04/06/57/559040657.db2.gz QIPOMCJCTYIHJG-HXUWFJFHSA-N 1 0 412.603 3.178 50 0 HGAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082166729 559042062 /nfs/dbraw/zinc/04/20/62/559042062.db2.gz YFFBXGIVXPAUAC-QHCPKHFHSA-N 1 0 406.574 3.417 50 0 HGAARO CCc1ccc(Oc2nccnc2N2CCC(C(=O)NCC[NH+]3CCCC3)CC2)cc1 ZINC000033288335 559044268 /nfs/dbraw/zinc/04/42/68/559044268.db2.gz KLNYLNKYDPJUNR-UHFFFAOYSA-N 1 0 423.561 3.260 50 0 HGAARO C[NH2+]CC(=O)N1CC(=O)N(c2cccc(-c3ccccc3)c2)C[C@@H]1Cc1ccccc1 ZINC000091644776 559072592 /nfs/dbraw/zinc/07/25/92/559072592.db2.gz UEVNEFCSIRXTDQ-DEOSSOPVSA-N 1 0 413.521 3.360 50 0 HGAARO c1ccc2[nH]c(CN3C[C@@H](c4ccc5c(c4)OCO5)[C@@H]4[C@H]3C3CC[NH+]4CC3)nc2c1 ZINC000095366609 559080117 /nfs/dbraw/zinc/08/01/17/559080117.db2.gz MMBDBAFWFIEPDG-PKKBDPGCSA-N 1 0 402.498 3.354 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCCOCC2)c1 ZINC000095499258 559081977 /nfs/dbraw/zinc/08/19/77/559081977.db2.gz MNEYUTFLAZTPMU-UHFFFAOYSA-N 1 0 402.535 3.344 50 0 HGAARO Cc1cc(CN(C)Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)[nH]n1 ZINC000095521427 559085242 /nfs/dbraw/zinc/08/52/42/559085242.db2.gz SBICQBCBQYDRTD-JOCHJYFZSA-N 1 0 400.567 3.354 50 0 HGAARO COCCN(C[C@H]1C[N@H+](Cc2cccs2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247808689 559119564 /nfs/dbraw/zinc/11/95/64/559119564.db2.gz BFMVLCFRMIGXQR-NQIIRXRSSA-N 1 0 420.550 3.224 50 0 HGAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000005068476 559240486 /nfs/dbraw/zinc/24/04/86/559240486.db2.gz GOKQVHHBOIENNV-KBPBESRZSA-N 1 0 417.506 3.421 50 0 HGAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc4c(c3)OCCO4)sc2c1 ZINC000005115093 559247203 /nfs/dbraw/zinc/24/72/03/559247203.db2.gz DECVRIASOQUFIN-UHFFFAOYSA-N 1 0 413.499 3.285 50 0 HGAARO C[NH+](C)CCN(C(=O)COc1ccccc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000005121489 559248569 /nfs/dbraw/zinc/24/85/69/559248569.db2.gz WZCLEWQUPIIWFJ-UHFFFAOYSA-N 1 0 413.499 3.041 50 0 HGAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000409415101 559250970 /nfs/dbraw/zinc/25/09/70/559250970.db2.gz TYWNKCPILYIKAG-DENIHFKCSA-N 1 0 411.550 3.215 50 0 HGAARO Cc1oc2c(c1C(=O)NCC1CC[NH+](Cc3ccc(F)cc3)CC1)C1=NCCN1C=N2 ZINC000100696470 559257358 /nfs/dbraw/zinc/25/73/58/559257358.db2.gz VSWVHOSJPUEWGK-UHFFFAOYSA-N 1 0 423.492 3.105 50 0 HGAARO CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000005184078 559290306 /nfs/dbraw/zinc/29/03/06/559290306.db2.gz QUMWUHGCJYLWBL-WTIAFYNJSA-N 1 0 404.551 3.288 50 0 HGAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(CCc2ccccn2)CC1 ZINC000061721386 560537510 /nfs/dbraw/zinc/53/75/10/560537510.db2.gz GJICURDTOJFTCU-JOCHJYFZSA-N 1 0 414.553 3.411 50 0 HGAARO CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cccc(F)c3)c(=O)c2C1 ZINC000062007147 560566332 /nfs/dbraw/zinc/56/63/32/560566332.db2.gz SHMMPSSIXGLKKE-UHFFFAOYSA-N 1 0 424.451 3.205 50 0 HGAARO Cc1cc(OCC(=O)NCCC[NH+](C)C)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000005348475 560570987 /nfs/dbraw/zinc/57/09/87/560570987.db2.gz HADCBMUWKSHOBB-UHFFFAOYSA-N 1 0 422.525 3.447 50 0 HGAARO COc1ccc([N+]2=C3COCCN3C[C@]2(O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001779546 560583507 /nfs/dbraw/zinc/58/35/07/560583507.db2.gz UAJOZKOGEGOUJI-VWLOTQADSA-N 1 0 401.486 3.469 50 0 HGAARO COCCN(C[C@H]1C[N@H+](Cc2ccc(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000105050261 560860822 /nfs/dbraw/zinc/86/08/22/560860822.db2.gz RFSADAQIBLDOOY-DENIHFKCSA-N 1 0 418.509 3.064 50 0 HGAARO CCc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)n2)cc1 ZINC000014853340 560871347 /nfs/dbraw/zinc/87/13/47/560871347.db2.gz QPWNDPUWFILTLR-UHFFFAOYSA-N 1 0 420.517 3.017 50 0 HGAARO Cc1nc(CSCCC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cs1 ZINC000046934097 560879488 /nfs/dbraw/zinc/87/94/88/560879488.db2.gz AGLMWOQNIRJHJL-UHFFFAOYSA-N 1 0 404.605 3.461 50 0 HGAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3cc(C)n(C)n3)nc21 ZINC000012229312 560896030 /nfs/dbraw/zinc/89/60/30/560896030.db2.gz VGGOBMLQEGDNAK-UHFFFAOYSA-N 1 0 407.927 3.209 50 0 HGAARO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](C(C)C)[NH+](C)C)cc2)cc1C ZINC000022754922 568500134 /nfs/dbraw/zinc/50/01/34/568500134.db2.gz GRVXWOYYZKLAEV-OAQYLSRUSA-N 1 0 417.575 3.420 50 0 HGAARO CCOC(=O)C1=C(C[NH2+]CCc2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000020283122 568596713 /nfs/dbraw/zinc/59/67/13/568596713.db2.gz YQMGEGVFZQMBOJ-FQEVSTJZSA-N 1 0 413.905 3.343 50 0 HGAARO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000095403452 568605772 /nfs/dbraw/zinc/60/57/72/568605772.db2.gz GVZFGRRKMBNIFS-LBPRGKRZSA-N 1 0 417.369 3.005 50 0 HGAARO CC(=O)N1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000095432505 568609351 /nfs/dbraw/zinc/60/93/51/568609351.db2.gz SUWVARXENIZMGT-UWJYYQICSA-N 1 0 403.567 3.359 50 0 HGAARO COc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)nc1I ZINC000095445117 568611556 /nfs/dbraw/zinc/61/15/56/568611556.db2.gz ZQTKPPQFPRONCV-UHFFFAOYSA-N 1 0 411.243 3.009 50 0 HGAARO COc1cccc(C(=O)N2CCN([C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1OC ZINC000095457068 568617969 /nfs/dbraw/zinc/61/79/69/568617969.db2.gz NJGANIVXBYATLN-OAQYLSRUSA-N 1 0 423.557 3.126 50 0 HGAARO Brc1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3cncn3)C1)OCCCO2 ZINC000095464606 568622601 /nfs/dbraw/zinc/62/26/01/568622601.db2.gz QLAZYAKDRMXELD-CQSZACIVSA-N 1 0 407.312 3.114 50 0 HGAARO Cc1cc(C(=O)NCCC2CC[NH+](C)CC2)ccc1NS(=O)(=O)c1ccccc1 ZINC000095472015 568627217 /nfs/dbraw/zinc/62/72/17/568627217.db2.gz PKCFPCDJUSZICT-UHFFFAOYSA-N 1 0 415.559 3.258 50 0 HGAARO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000225500094 568643789 /nfs/dbraw/zinc/64/37/89/568643789.db2.gz IMRPHRBFTKBQKT-HKUYNNGSSA-N 1 0 419.953 3.086 50 0 HGAARO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1NC(=O)CC(C)C ZINC000096006416 568682727 /nfs/dbraw/zinc/68/27/27/568682727.db2.gz ZRRZSLAUIGSMLI-JOCHJYFZSA-N 1 0 423.557 3.476 50 0 HGAARO O=S(=O)(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000096099732 568690801 /nfs/dbraw/zinc/69/08/01/568690801.db2.gz RXSUKFQLJKHRLA-FQEVSTJZSA-N 1 0 420.962 3.227 50 0 HGAARO COc1ccc(OC)c(-c2cc(CN(CC[NH+](C)C)C(=O)NC(C)(C)C)no2)c1 ZINC000096210728 568704515 /nfs/dbraw/zinc/70/45/15/568704515.db2.gz COCWGUBMVYZMFY-UHFFFAOYSA-N 1 0 404.511 3.231 50 0 HGAARO Cn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCC[NH+]1CCCCC1 ZINC000021529838 568710333 /nfs/dbraw/zinc/71/03/33/568710333.db2.gz TYGXMRHSFZMMNY-UHFFFAOYSA-N 1 0 400.498 3.050 50 0 HGAARO CO[C@@](C)(C(=O)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1)c1ccccc1F ZINC000240423809 568730107 /nfs/dbraw/zinc/73/01/07/568730107.db2.gz FRBKMPGVLBGIBR-UZUQRXQVSA-N 1 0 414.525 3.412 50 0 HGAARO O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096343571 568736968 /nfs/dbraw/zinc/73/69/68/568736968.db2.gz SOZSZWOEIJUELM-VGOFRKELSA-N 1 0 424.541 3.431 50 0 HGAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCc2sc(C(=O)N3CCCCC3)cc2C1 ZINC000096398386 568747113 /nfs/dbraw/zinc/74/71/13/568747113.db2.gz QMQAYRPHIKEUDM-QGZVFWFLSA-N 1 0 403.592 3.081 50 0 HGAARO COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc(C)cc1)N1CC[NH+](C)CC1 ZINC000022582559 568770745 /nfs/dbraw/zinc/77/07/45/568770745.db2.gz RKPCIVCHOQMESK-HXUWFJFHSA-N 1 0 401.938 3.376 50 0 HGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1-n1cnc2ccccc2c1=O ZINC000299754387 568782229 /nfs/dbraw/zinc/78/22/29/568782229.db2.gz FZXYMWKDMRGFDF-AVRDEDQJSA-N 1 0 416.525 3.380 50 0 biogenic HGAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000002631280 568791032 /nfs/dbraw/zinc/79/10/32/568791032.db2.gz ODDFIUJTAGTZCI-QFBILLFUSA-N 1 0 420.575 3.030 50 0 HGAARO Cn1nc(C(F)(F)F)c(Br)c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000002780231 568808354 /nfs/dbraw/zinc/80/83/54/568808354.db2.gz ZZYKFENOLRVZNF-UHFFFAOYSA-N 1 0 411.266 3.240 50 0 HGAARO C[NH+](C)C1(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CCCC1 ZINC000056530350 568810353 /nfs/dbraw/zinc/81/03/53/568810353.db2.gz YBDWHMBOXSXDCE-UHFFFAOYSA-N 1 0 400.544 3.265 50 0 HGAARO COc1ccccc1N1CCN([C@@H](CNC(=O)c2cccs2)c2cccnc2)CC1 ZINC000056896212 568820938 /nfs/dbraw/zinc/82/09/38/568820938.db2.gz NSLFKEVJDQMADO-FQEVSTJZSA-N 1 0 422.554 3.445 50 0 HGAARO CCOc1cc(/C=C\C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)ccc1OC ZINC000057054141 568823766 /nfs/dbraw/zinc/82/37/66/568823766.db2.gz WGFJHENSHGNUDY-LUAWRHEFSA-N 1 0 409.530 3.493 50 0 HGAARO CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCCCC1 ZINC000002973561 568832110 /nfs/dbraw/zinc/83/21/10/568832110.db2.gz PIZUYGFHIQWFEY-UHFFFAOYSA-N 1 0 416.591 3.233 50 0 HGAARO CC(C)[C@@H]([NH2+]CC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000057435051 568836685 /nfs/dbraw/zinc/83/66/85/568836685.db2.gz CBXSUIFJAOOKQN-JOCHJYFZSA-N 1 0 409.578 3.410 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)c1cccc(F)c1 ZINC000012551865 568853790 /nfs/dbraw/zinc/85/37/90/568853790.db2.gz UMUAVHLWHVUAIX-HNNXBMFYSA-N 1 0 419.551 3.244 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)c1cccc(F)c1 ZINC000012551867 568853886 /nfs/dbraw/zinc/85/38/86/568853886.db2.gz UMUAVHLWHVUAIX-OAHLLOKOSA-N 1 0 419.551 3.244 50 0 HGAARO Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000012561177 568858529 /nfs/dbraw/zinc/85/85/29/568858529.db2.gz LSQDYGYJSHGGHG-UHFFFAOYSA-N 1 0 415.559 3.398 50 0 HGAARO C[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000057789068 568860964 /nfs/dbraw/zinc/86/09/64/568860964.db2.gz IRUSWNFQDXPMQT-OAHLLOKOSA-N 1 0 421.950 3.414 50 0 HGAARO Cc1cnc(-n2ncc(C(=O)NCC[NH+]3CCCC3)c2C2CC2)nc1-c1cccs1 ZINC000299760060 568873224 /nfs/dbraw/zinc/87/32/24/568873224.db2.gz UPRPZQLWTSVIPB-UHFFFAOYSA-N 1 0 422.558 3.402 50 0 HGAARO CS(=O)(=O)c1ccc(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)cc1 ZINC000670447689 568917228 /nfs/dbraw/zinc/91/72/28/568917228.db2.gz RIJMJVHFGDJHRQ-JOCHJYFZSA-N 1 0 414.571 3.366 50 0 HGAARO CC[NH+](CC)CCCNC(=O)c1ccc(C)c(NC(=O)C2=C(C)OCCS2)c1 ZINC000012730330 568922541 /nfs/dbraw/zinc/92/25/41/568922541.db2.gz QUKDUIQAIWOFFF-UHFFFAOYSA-N 1 0 405.564 3.390 50 0 HGAARO Cc1c(Br)c(C(F)F)nn1CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000002780199 568925545 /nfs/dbraw/zinc/92/55/45/568925545.db2.gz FWHUEHWVEAPEOK-UHFFFAOYSA-N 1 0 407.303 3.317 50 0 HGAARO CCc1ccc([C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[NH+](C)C)cc1 ZINC000012745557 568931125 /nfs/dbraw/zinc/93/11/25/568931125.db2.gz PILMHKQQMRAWJD-BJKOFHAPSA-N 1 0 420.557 3.197 50 0 HGAARO COc1cc(Br)c(OC)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000012762259 568946543 /nfs/dbraw/zinc/94/65/43/568946543.db2.gz UHQVPVSYGVDKOS-HNNXBMFYSA-N 1 0 419.319 3.471 50 0 HGAARO O=C(Nc1ccccc1OC(F)F)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000084535855 568950329 /nfs/dbraw/zinc/95/03/29/568950329.db2.gz RFSJONJVHKYTDY-IRXDYDNUSA-N 1 0 405.445 3.293 50 0 HGAARO COc1ccc(OC)c([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000004301751 568960107 /nfs/dbraw/zinc/96/01/07/568960107.db2.gz MSEGSKYCXNBBCW-NRFANRHFSA-N 1 0 422.481 3.307 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)c1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000015671818 568962218 /nfs/dbraw/zinc/96/22/18/568962218.db2.gz UNKCDBSBJPICND-UHFFFAOYSA-N 1 0 416.595 3.315 50 0 HGAARO CC[N@H+](CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1)Cc1ccccc1 ZINC000015677457 568965040 /nfs/dbraw/zinc/96/50/40/568965040.db2.gz VIGOCAUAERZYOF-UHFFFAOYSA-N 1 0 418.541 3.375 50 0 HGAARO CC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCOc2ccc(Br)cc2)cc1 ZINC000007990813 568967087 /nfs/dbraw/zinc/96/70/87/568967087.db2.gz WLCFCMDYZWIYSC-SFHVURJKSA-N 1 0 422.319 3.402 50 0 HGAARO CCC[NH+]1CCN(c2nnc(-n3cccc3CNc3ccccc3OC)s2)CC1 ZINC000015728196 568979194 /nfs/dbraw/zinc/97/91/94/568979194.db2.gz SSJOBLRSIOXQCH-UHFFFAOYSA-N 1 0 412.563 3.482 50 0 HGAARO COc1ccc2c(C)c(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c(=O)oc2c1 ZINC000012808010 568980395 /nfs/dbraw/zinc/98/03/95/568980395.db2.gz RLVJVAAKZFIWAJ-LJQANCHMSA-N 1 0 420.509 3.433 50 0 HGAARO COc1cc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)ccc1NC(C)=O ZINC000008190432 568981261 /nfs/dbraw/zinc/98/12/61/568981261.db2.gz RKJGXEKVJBLCKI-UHFFFAOYSA-N 1 0 423.579 3.121 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000008343742 568993965 /nfs/dbraw/zinc/99/39/65/568993965.db2.gz QCTZGXAMRXUDJU-LPHOPBHVSA-N 1 0 419.447 3.477 50 0 HGAARO CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+](CC)CC ZINC000008346124 568994672 /nfs/dbraw/zinc/99/46/72/568994672.db2.gz DJNGILHRJZTQIL-INIZCTEOSA-N 1 0 404.580 3.135 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2ccc(CN3CCCC3=O)cc2)[NH+]2CCCC2)cc1 ZINC000008404693 569001215 /nfs/dbraw/zinc/00/12/15/569001215.db2.gz OFKVTVGIMBMYDZ-QHCPKHFHSA-N 1 0 421.541 3.385 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@H]2CCO)cc1C ZINC000104321923 569008276 /nfs/dbraw/zinc/00/82/76/569008276.db2.gz 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O=C(NCC[NH+]1CCCCCC1)c1cnc2sc3c(n2c1=O)CCCCCC3 ZINC000035430594 569036736 /nfs/dbraw/zinc/03/67/36/569036736.db2.gz KNADMDGBRZFTLP-UHFFFAOYSA-N 1 0 402.564 3.021 50 0 HGAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000035455152 569037902 /nfs/dbraw/zinc/03/79/02/569037902.db2.gz MYYAPQYFJWSEEQ-LJQANCHMSA-N 1 0 411.525 3.101 50 0 HGAARO COc1cccc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c1 ZINC000035485505 569039771 /nfs/dbraw/zinc/03/97/71/569039771.db2.gz WUSTVAJLTKMPTL-KXXGJQBSSA-N 1 0 421.541 3.271 50 0 HGAARO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000239425860 569054369 /nfs/dbraw/zinc/05/43/69/569054369.db2.gz VJUALCDTAIBMKL-SJORKVTESA-N 1 0 404.580 3.319 50 0 HGAARO CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871742 569064058 /nfs/dbraw/zinc/06/40/58/569064058.db2.gz XZKSEUOVYCDAFR-RBBKRZOGSA-N 1 0 413.949 3.348 50 0 HGAARO CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)(C3)C2 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Cc1c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840739 569151467 /nfs/dbraw/zinc/15/14/67/569151467.db2.gz JBCAQHSIIBFDCD-AWEZNQCLSA-N 1 0 402.564 3.097 50 0 HGAARO Cc1c(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840759 569151483 /nfs/dbraw/zinc/15/14/83/569151483.db2.gz QZZCFAOGXKISFY-OAHLLOKOSA-N 1 0 416.591 3.345 50 0 HGAARO CCCCN(CC)C(=O)c1cc(NC(=O)c2cccc(C)c2)cnc1N1CC[NH2+]CC1 ZINC000065025370 569156365 /nfs/dbraw/zinc/15/63/65/569156365.db2.gz KXMYRCPDGQVDRS-UHFFFAOYSA-N 1 0 423.561 3.314 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000036390730 569166037 /nfs/dbraw/zinc/16/60/37/569166037.db2.gz IMRUZDXJRLHIMC-INIZCTEOSA-N 1 0 421.463 3.415 50 0 HGAARO CC(C)N1c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2Sc2ncccc2C1=O ZINC000065241411 569204048 /nfs/dbraw/zinc/20/40/48/569204048.db2.gz XFESKBREGCQNJV-UHFFFAOYSA-N 1 0 410.543 3.379 50 0 HGAARO CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CC[NH+](CC(C)C)CC3)C2)ncn1 ZINC000065244857 569204887 /nfs/dbraw/zinc/20/48/87/569204887.db2.gz WURRQTATACMPJX-FQEVSTJZSA-N 1 0 416.614 3.095 50 0 HGAARO COc1ccc2[nH]c(=O)c(CCC(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000065245552 569205316 /nfs/dbraw/zinc/20/53/16/569205316.db2.gz WVXSDIVYVPPPMW-UHFFFAOYSA-N 1 0 419.525 3.446 50 0 HGAARO COc1ccc(C[NH+]2CCC(NC(=O)CC3(n4cccc4)CCOCC3)CC2)cc1 ZINC000524733144 569212792 /nfs/dbraw/zinc/21/27/92/569212792.db2.gz ZBSJKCLAZPIBTJ-UHFFFAOYSA-N 1 0 411.546 3.173 50 0 HGAARO O=C(NCCC[NH+]1CCCC1)[C@H]1CN(C(=O)c2cccs2)CC12CCCCC2 ZINC000065266297 569213052 /nfs/dbraw/zinc/21/30/52/569213052.db2.gz VEIZUICXXIVMAQ-GOSISDBHSA-N 1 0 403.592 3.373 50 0 biogenic HGAARO CC1CCN(C(=O)c2cc3c(s2)CC[C@@H](C(=O)NCC[NH+]2CCCCC2)C3)CC1 ZINC000065272641 569215881 /nfs/dbraw/zinc/21/58/81/569215881.db2.gz NQUZCSJIGKEAGS-GOSISDBHSA-N 1 0 417.619 3.327 50 0 HGAARO COc1ccc(OC)c(NC(=O)NCCNc2nc(N3CCCCC3)cc(C)[nH+]2)c1 ZINC000036708135 569222107 /nfs/dbraw/zinc/22/21/07/569222107.db2.gz OGYOJSBALONPBM-UHFFFAOYSA-N 1 0 414.510 3.026 50 0 HGAARO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000065609775 569237531 /nfs/dbraw/zinc/23/75/31/569237531.db2.gz FLAOMGQMEJREFG-PGRDOPGGSA-N 1 0 413.587 3.422 50 0 HGAARO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000065609776 569237672 /nfs/dbraw/zinc/23/76/72/569237672.db2.gz FLAOMGQMEJREFG-XMSQKQJNSA-N 1 0 413.587 3.422 50 0 HGAARO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000170593833 569241268 /nfs/dbraw/zinc/24/12/68/569241268.db2.gz BKLOZQFEVMFPAZ-IRXDYDNUSA-N 1 0 424.545 3.075 50 0 HGAARO CC[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000071186527 569251162 /nfs/dbraw/zinc/25/11/62/569251162.db2.gz WNNKPUSZNGWBKQ-OAHLLOKOSA-N 1 0 409.372 3.059 50 0 HGAARO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000089949208 569269754 /nfs/dbraw/zinc/26/97/54/569269754.db2.gz KXPVXTLLUPVLAV-HIFRSBDPSA-N 1 0 403.445 3.413 50 0 HGAARO CCCCOc1ccc(-c2nnc(CN3CC[C@H](N4CC[NH+](CC)CC4)C3)o2)cc1 ZINC000089954823 569269887 /nfs/dbraw/zinc/26/98/87/569269887.db2.gz NKYKALLLJBVABZ-FQEVSTJZSA-N 1 0 413.566 3.127 50 0 HGAARO COCCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000016993356 569270925 /nfs/dbraw/zinc/27/09/25/569270925.db2.gz SYVLNQLWWGBXCZ-JOCHJYFZSA-N 1 0 400.519 3.339 50 0 HGAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]1 ZINC000017012369 569271550 /nfs/dbraw/zinc/27/15/50/569271550.db2.gz NZFWKMJZUJMVKT-UHFFFAOYSA-N 1 0 401.514 3.480 50 0 HGAARO COc1ccc([C@@H](C[NH2+]Cc2c(C)nc3sc(C)cn23)N2CCOCC2)cc1 ZINC000237321992 569281959 /nfs/dbraw/zinc/28/19/59/569281959.db2.gz KRJXQUHROWXNCV-HXUWFJFHSA-N 1 0 400.548 3.184 50 0 HGAARO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000252467573 569287062 /nfs/dbraw/zinc/28/70/62/569287062.db2.gz SSNHPGYRRZDWGI-NVXWUHKLSA-N 1 0 409.372 3.059 50 0 HGAARO CC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C(C)C ZINC000007800612 569311112 /nfs/dbraw/zinc/31/11/12/569311112.db2.gz QKIDFAQNHCIMEX-UHFFFAOYSA-N 1 0 417.575 3.360 50 0 HGAARO Cc1cccc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(CC(C)C)CC2)CCO3)c1 ZINC000581819764 569320762 /nfs/dbraw/zinc/32/07/62/569320762.db2.gz JQNWIGCOBKRELE-HSZRJFAPSA-N 1 0 413.606 3.422 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000007923201 569327294 /nfs/dbraw/zinc/32/72/94/569327294.db2.gz FKGBWERWWTXAPU-UHFFFAOYSA-N 1 0 404.514 3.051 50 0 HGAARO CCOc1cc(/C=C\C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1OC(F)F ZINC000253388792 569364959 /nfs/dbraw/zinc/36/49/59/569364959.db2.gz XOONOSBGFTWWMK-YPLUBFQTSA-N 1 0 424.488 3.413 50 0 HGAARO Cc1cc(N2CCC(CNC(=O)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc[nH+]1 ZINC000253395478 569365188 /nfs/dbraw/zinc/36/51/88/569365188.db2.gz BYEYULQXZRINHB-UHFFFAOYSA-N 1 0 420.435 3.380 50 0 HGAARO Cn1ccnc1[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000055044130 569376345 /nfs/dbraw/zinc/37/63/45/569376345.db2.gz MYBIUEVTKKGSLP-QFIPXVFZSA-N 1 0 403.530 3.473 50 0 HGAARO CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000078752166 569420234 /nfs/dbraw/zinc/42/02/34/569420234.db2.gz DQLYZGHBQLZQDR-HXUWFJFHSA-N 1 0 415.559 3.068 50 0 HGAARO CC(=O)Nc1cc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C ZINC000079022398 569424469 /nfs/dbraw/zinc/42/44/69/569424469.db2.gz NHCJYOOQAJHWBR-ROUUACIJSA-N 1 0 401.551 3.305 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000079474017 569431304 /nfs/dbraw/zinc/43/13/04/569431304.db2.gz UTCLIWVKHYBTTG-UHFFFAOYSA-N 1 0 413.953 3.127 50 0 HGAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)CCCn2cnc3ccccc3c2=O)C1 ZINC000670473487 571101984 /nfs/dbraw/zinc/10/19/84/571101984.db2.gz BHDRXTPLOKKFIC-FQEVSTJZSA-N 1 0 418.541 3.091 50 0 HGAARO COc1cccc(CNC(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)c1 ZINC000039229405 571122029 /nfs/dbraw/zinc/12/20/29/571122029.db2.gz YMLOBIJLSKQXLL-QFIPXVFZSA-N 1 0 402.498 3.171 50 0 HGAARO C[C@@H]([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 ZINC000039738440 571134021 /nfs/dbraw/zinc/13/40/21/571134021.db2.gz GCSGCLAYXMKOJF-VGOFRKELSA-N 1 0 418.603 3.174 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 ZINC000040112351 571170471 /nfs/dbraw/zinc/17/04/71/571170471.db2.gz KPIAYDSUOSVHKF-DENIHFKCSA-N 1 0 407.562 3.384 50 0 HGAARO Cc1nc2sc3c(c2c(NC2CC[NH+](CC(=O)N4CCCC4)CC2)n1)CCCC3 ZINC000040135244 571188380 /nfs/dbraw/zinc/18/83/80/571188380.db2.gz CDDNJFNGTDSJTR-UHFFFAOYSA-N 1 0 413.591 3.377 50 0 HGAARO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000040158223 571204624 /nfs/dbraw/zinc/20/46/24/571204624.db2.gz SNUCKTZASIRWAE-UHFFFAOYSA-N 1 0 409.534 3.296 50 0 HGAARO COc1ccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000245279023 571222326 /nfs/dbraw/zinc/22/23/26/571222326.db2.gz ATUKVMYQOHLSII-FGZHOGPDSA-N 1 0 415.530 3.263 50 0 HGAARO Cc1ccc(-n2c(CC(=O)NCC[N@H+]3CCCC[C@H]3C)c3[nH]cccc-3c2=O)cc1 ZINC000245279074 571222411 /nfs/dbraw/zinc/22/24/11/571222411.db2.gz BPYJVMITHDWYSX-WIYYLYMNSA-N 1 0 406.530 3.472 50 0 HGAARO Cc1nn([C@@H](C)C(=O)NCC[N@@H+]2CCCC[C@H]2C)c(=O)c2c3ccccc3sc21 ZINC000245338871 571225637 /nfs/dbraw/zinc/22/56/37/571225637.db2.gz PAAARZPLPHHPHR-ZBFHGGJFSA-N 1 0 412.559 3.471 50 0 HGAARO O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000070038159 571254711 /nfs/dbraw/zinc/25/47/11/571254711.db2.gz ZSJLHQBCNZFGAY-NRFANRHFSA-N 1 0 422.525 3.244 50 0 HGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000009884400 571289354 /nfs/dbraw/zinc/28/93/54/571289354.db2.gz OQVXWPYSIPDLKL-KRWDZBQOSA-N 1 0 401.532 3.147 50 0 HGAARO C[C@@]1(C(=O)NCc2ccccc2)CCC(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021776818 571314930 /nfs/dbraw/zinc/31/49/30/571314930.db2.gz REJKJXVYCSDQQA-VWLOTQADSA-N 1 0 405.542 3.349 50 0 HGAARO O=C(CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)NCC[NH+]1CCCC1 ZINC000003047102 132262004 /nfs/dbraw/zinc/26/20/04/132262004.db2.gz OGXKQCPSDDEUHY-PGMHBOJBSA-N 1 0 407.539 3.378 50 0 HGAARO Cc1cc(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)c2ccccc2[nH+]1 ZINC000004336359 132275663 /nfs/dbraw/zinc/27/56/63/132275663.db2.gz RZZUUJGQNVXVFI-UHFFFAOYSA-N 1 0 418.497 3.075 50 0 HGAARO COc1ccc(OC)c(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1 ZINC000004607786 132280147 /nfs/dbraw/zinc/28/01/47/132280147.db2.gz ZMBHXUPSVRCMHS-UHFFFAOYSA-N 1 0 423.557 3.265 50 0 HGAARO CC[NH+](CC)CCNC(=S)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1 ZINC000004969811 132297048 /nfs/dbraw/zinc/29/70/48/132297048.db2.gz ABNCEEMARPKULY-UHFFFAOYSA-N 1 0 401.580 3.008 50 0 HGAARO O=C(c1ccc(N2CCC([NH2+][C@H]3CCOC3)CC2)cc1)N1CCc2ccccc2C1 ZINC000011782695 132350429 /nfs/dbraw/zinc/35/04/29/132350429.db2.gz UTEPBZMUKFECGZ-QHCPKHFHSA-N 1 0 405.542 3.232 50 0 HGAARO C[C@H]([NH2+]C1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1)c1ccccc1 ZINC000012190305 132356142 /nfs/dbraw/zinc/35/61/42/132356142.db2.gz UOHOMEOVDFVHMM-KRWDZBQOSA-N 1 0 402.564 3.225 50 0 HGAARO C[C@H](CCn1cccn1)[NH+]1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012439663 132360128 /nfs/dbraw/zinc/36/01/28/132360128.db2.gz UCUJVUFHPFGBOS-LJQANCHMSA-N 1 0 402.546 3.430 50 0 HGAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020565042 520683479 /nfs/dbraw/zinc/68/34/79/520683479.db2.gz HVYKGGHLXZYUAH-UHFFFAOYSA-N 1 0 413.547 3.297 50 0 HGAARO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000015359644 520750611 /nfs/dbraw/zinc/75/06/11/520750611.db2.gz OJILQBNBHVXXLO-UHFFFAOYSA-N 1 0 404.532 3.168 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 ZINC000031984094 520830990 /nfs/dbraw/zinc/83/09/90/520830990.db2.gz GKDIQZLAYOISHZ-IBGZPJMESA-N 1 0 403.548 3.393 50 0 HGAARO CC[NH+]1CCN(CC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)CC1 ZINC000032738463 521676521 /nfs/dbraw/zinc/67/65/21/521676521.db2.gz JRVFQZUCKWNWJM-UHFFFAOYSA-N 1 0 403.530 3.424 50 0 HGAARO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)CC1 ZINC000032905009 521699946 /nfs/dbraw/zinc/69/99/46/521699946.db2.gz FZTUHCXTBGYXRW-GOSISDBHSA-N 1 0 410.518 3.082 50 0 HGAARO CCn1cc(CN2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)c(C)n1 ZINC000020598781 523372624 /nfs/dbraw/zinc/37/26/24/523372624.db2.gz YYZIEBBJBGJZLY-NRFANRHFSA-N 1 0 400.567 3.368 50 0 HGAARO Cc1cccn2c(C[N@@H+]3CC[C@H](c4ccc(F)cc4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000020539497 525462854 /nfs/dbraw/zinc/46/28/54/525462854.db2.gz OXOKFEBQEJEQEY-IBGZPJMESA-N 1 0 422.504 3.244 50 0 HGAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)C(=O)NCc2cccs2)CC1 ZINC000043942533 526158638 /nfs/dbraw/zinc/15/86/38/526158638.db2.gz MDYYDKZCTKDZJG-UHFFFAOYSA-N 1 0 417.600 3.115 50 0 HGAARO O[C@H](C[NH2+]C[C@@H](c1cccs1)N1CCOCC1)CO[C@@H]1CCCc2ccccc21 ZINC000040160722 526276282 /nfs/dbraw/zinc/27/62/82/526276282.db2.gz OLYKVYHNIWOIIW-BAGYTPMASA-N 1 0 416.587 3.166 50 0 HGAARO O=C(NCCc1ccco1)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000019837717 526439421 /nfs/dbraw/zinc/43/94/21/526439421.db2.gz HJTUGPXQTNRYBC-UHFFFAOYSA-N 1 0 422.529 3.461 50 0 HGAARO O=C(NC[C@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000023203198 526581219 /nfs/dbraw/zinc/58/12/19/526581219.db2.gz ZOVSLUWDZKFJLC-OAQYLSRUSA-N 1 0 406.555 3.432 50 0 HGAARO CCc1nnc2c(NCCC[NH+]3CCN(c4ccccc4)CC3)nc3ccccc3n12 ZINC000007504120 535860565 /nfs/dbraw/zinc/86/05/65/535860565.db2.gz IWLKUJYNCMJBAI-UHFFFAOYSA-N 1 0 415.545 3.464 50 0 HGAARO COc1cccc(N2CC[N@H+](CCc3cc(OC)c(OC)c(OC)c3)C[C@H]2C)c1 ZINC000005336089 537122494 /nfs/dbraw/zinc/12/24/94/537122494.db2.gz MIQBLSKRKGUUOS-QGZVFWFLSA-N 1 0 400.519 3.474 50 0 HGAARO COc1cccc(C(=O)N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c1OC ZINC000000872191 557107268 /nfs/dbraw/zinc/10/72/68/557107268.db2.gz IJRZFXBAKOXBOX-UHFFFAOYSA-N 1 0 423.557 3.126 50 0 HGAARO CCN1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccccc4C)CC3)cc2)CC1 ZINC000034684154 557386934 /nfs/dbraw/zinc/38/69/34/557386934.db2.gz AZWIYHXYHPLCHW-UHFFFAOYSA-N 1 0 406.574 3.095 50 0 HGAARO COCCN(C[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccc(C)cc1)C(=O)COC ZINC000034740441 557443791 /nfs/dbraw/zinc/44/37/91/557443791.db2.gz IEUKMFGNDISNEL-IFMALSPDSA-N 1 0 416.587 3.394 50 0 HGAARO COc1c(C)cc([C@H]2CCc3nc(C(=O)NCC[NH+]4CCCCC4)cn3C2)cc1C ZINC000034899234 557480714 /nfs/dbraw/zinc/48/07/14/557480714.db2.gz UJDNOGIBFXNLKS-IBGZPJMESA-N 1 0 410.562 3.454 50 0 HGAARO Cn1ncc2c3ccccc3n(CCCC(=O)NCCC[NH+]3CCCCCC3)c2c1=O ZINC000035372379 557525357 /nfs/dbraw/zinc/52/53/57/557525357.db2.gz KQHBRLHPNJUFSU-UHFFFAOYSA-N 1 0 423.561 3.051 50 0 HGAARO O=C(C[NH+]1CCCCC1)N1CCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000004223075 557529953 /nfs/dbraw/zinc/52/99/53/557529953.db2.gz BPFLOQPPHQGGLG-UHFFFAOYSA-N 1 0 415.541 3.431 50 0 HGAARO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]CCNc2nccc(C(F)(F)F)n2)cc1 ZINC000004299450 557537398 /nfs/dbraw/zinc/53/73/98/557537398.db2.gz KWZDGFZQAPLLNE-OAHLLOKOSA-N 1 0 412.456 3.234 50 0 HGAARO CCOC(=O)N1CCN(C(=O)C2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000004725537 557587272 /nfs/dbraw/zinc/58/72/72/557587272.db2.gz WMUHPGPLWHDSMQ-UHFFFAOYSA-N 1 0 409.530 3.353 50 0 HGAARO COc1ccc(Cc2nc3c4c(C)c(C)n(CCC[NH+](C)C)c4ncn3n2)cc1OC ZINC000006760150 557719650 /nfs/dbraw/zinc/71/96/50/557719650.db2.gz QMIASZSSOOBOAU-UHFFFAOYSA-N 1 0 422.533 3.256 50 0 HGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)cc21 ZINC000009970621 557852431 /nfs/dbraw/zinc/85/24/31/557852431.db2.gz TUPOTXLSGDRCON-FQEVSTJZSA-N 1 0 422.525 3.461 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3cccnc3)C[C@@H]2CCO)cc1C ZINC000019744949 558265533 /nfs/dbraw/zinc/26/55/33/558265533.db2.gz SZXXILOMQZVZDN-QHCPKHFHSA-N 1 0 420.557 3.258 50 0 HGAARO CCCCn1c(CN(C)C[C@@H]2CCC[N@@H+]2C)cnc1S(=O)(=O)CCCC(C)C ZINC000019770703 558279401 /nfs/dbraw/zinc/27/94/01/558279401.db2.gz VSWCEVUSQCXKGY-IBGZPJMESA-N 1 0 412.644 3.419 50 0 HGAARO CN1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2cnc(N3CCCC3)s2)C[C@H]1CO ZINC000019788203 558281991 /nfs/dbraw/zinc/28/19/91/558281991.db2.gz VLBUPHSICNILQJ-GQIGUUNPSA-N 1 0 404.555 3.026 50 0 HGAARO COc1ccc2ccccc2c1C[N@H+]1CCc2nnc([C@H](C)NC(=O)C(C)C)n2CC1 ZINC000011839394 558285931 /nfs/dbraw/zinc/28/59/31/558285931.db2.gz COSSGTFHKRHDJQ-KRWDZBQOSA-N 1 0 421.545 3.331 50 0 HGAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000011871674 558290462 /nfs/dbraw/zinc/29/04/62/558290462.db2.gz BNJYLSAEGRKRIW-FQEVSTJZSA-N 1 0 412.530 3.426 50 0 HGAARO C[C@H](CC[NH+]1CCC2(CC[C@H](CNC(=O)c3ccn(C)n3)O2)CC1)c1ccccc1 ZINC000011872311 558290486 /nfs/dbraw/zinc/29/04/86/558290486.db2.gz KEXOPHKQGXJACL-TZIWHRDSSA-N 1 0 410.562 3.357 50 0 HGAARO CSC[C@H](C)[NH+]1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000011874670 558292274 /nfs/dbraw/zinc/29/22/74/558292274.db2.gz CXKYLGBUSCPJBN-AWEZNQCLSA-N 1 0 402.520 3.253 50 0 HGAARO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H]1COCCO1 ZINC000011879148 558293595 /nfs/dbraw/zinc/29/35/95/558293595.db2.gz UYYXMDYYXMZJLO-OAQYLSRUSA-N 1 0 421.497 3.174 50 0 HGAARO COc1ccc(OC)c(NC(=O)CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000019853490 558296138 /nfs/dbraw/zinc/29/61/38/558296138.db2.gz BRKGKVASBNSRNV-RMKNXTFCSA-N 1 0 409.530 3.363 50 0 HGAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCCC[C@H]1CO ZINC000011933027 558297905 /nfs/dbraw/zinc/29/79/05/558297905.db2.gz VTDDGEZFXDHOHW-NRFANRHFSA-N 1 0 409.530 3.112 50 0 HGAARO CCOC(=O)c1ccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2cccc(OC)c2)o1 ZINC000012041317 558312816 /nfs/dbraw/zinc/31/28/16/558312816.db2.gz ZUVNHSBEOLQGRI-KRWDZBQOSA-N 1 0 400.475 3.136 50 0 HGAARO Cc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1N1CCNC1=O ZINC000012050361 558313868 /nfs/dbraw/zinc/31/38/68/558313868.db2.gz VCBRDUDKKNSQMY-QFIPXVFZSA-N 1 0 420.557 3.304 50 0 HGAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(OCCO)c2)CC1)C1CCCC1 ZINC000012055280 558315638 /nfs/dbraw/zinc/31/56/38/558315638.db2.gz BEFNPWZEEWHBMU-UHFFFAOYSA-N 1 0 412.534 3.220 50 0 HGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C3CSCCSC3)C2)cc1OC ZINC000020201402 558345572 /nfs/dbraw/zinc/34/55/72/558345572.db2.gz CRXHCHWDTCZWTH-GOSISDBHSA-N 1 0 410.649 3.491 50 0 HGAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)CSc2ccccc2)CC1 ZINC000012209059 558353540 /nfs/dbraw/zinc/35/35/40/558353540.db2.gz MTAVARUKRDHCOM-FQEVSTJZSA-N 1 0 406.592 3.145 50 0 HGAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c2ccccc12 ZINC000012281202 558365203 /nfs/dbraw/zinc/36/52/03/558365203.db2.gz HSUIGNNTKNPLQR-KRWDZBQOSA-N 1 0 421.545 3.331 50 0 HGAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000020451278 558365759 /nfs/dbraw/zinc/36/57/59/558365759.db2.gz ZCUYOWCTAUUJJV-HXUWFJFHSA-N 1 0 409.530 3.211 50 0 HGAARO O=C(CC[C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020455185 558369050 /nfs/dbraw/zinc/36/90/50/558369050.db2.gz VVISKCLLOHHJGG-HSZRJFAPSA-N 1 0 406.574 3.418 50 0 HGAARO CC[NH+]1CCN(CCc2nc3cc(NC(=O)Nc4ccccc4)ccc3n2C)CC1 ZINC000020533486 558384575 /nfs/dbraw/zinc/38/45/75/558384575.db2.gz NSBQHSBWLSMRSV-UHFFFAOYSA-N 1 0 406.534 3.397 50 0 HGAARO CCC[NH+]1CCN(C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Br)c2C)CC1 ZINC000020608297 558389134 /nfs/dbraw/zinc/38/91/34/558389134.db2.gz YGSWEJFWKYGPQY-LLVKDONJSA-N 1 0 411.266 3.088 50 0 HGAARO CN(Cc1cnc(N2CCOCC2)s1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020782951 558413105 /nfs/dbraw/zinc/41/31/05/558413105.db2.gz RKDUHMLSVWGTNS-HXUWFJFHSA-N 1 0 412.603 3.043 50 0 HGAARO Cn1nccc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012459141 558418775 /nfs/dbraw/zinc/41/87/75/558418775.db2.gz DEPCJQHIDFUCSH-FQEVSTJZSA-N 1 0 414.525 3.093 50 0 HGAARO CC(C)c1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 ZINC000020995873 558426870 /nfs/dbraw/zinc/42/68/70/558426870.db2.gz QCFQSCKROTWEHG-UHFFFAOYSA-N 1 0 407.518 3.025 50 0 HGAARO Cc1nnc(CN(C)Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)o1 ZINC000012570744 558428670 /nfs/dbraw/zinc/42/86/70/558428670.db2.gz JMSBTZJZUREUFU-HXUWFJFHSA-N 1 0 402.539 3.014 50 0 HGAARO COc1cc(C(=O)NC[C@H]2OCCc3ccccc32)ccc1OC1CC[NH+](C)CC1 ZINC000012577142 558431275 /nfs/dbraw/zinc/43/12/75/558431275.db2.gz SPAWTNHORWOACO-HSZRJFAPSA-N 1 0 410.514 3.212 50 0 HGAARO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000012588902 558435121 /nfs/dbraw/zinc/43/51/21/558435121.db2.gz PMABQWXAZVEHMT-NRFANRHFSA-N 1 0 421.994 3.450 50 0 HGAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccc(OCCO)cc2)CC1)N1CCCC1 ZINC000012595435 558437477 /nfs/dbraw/zinc/43/74/77/558437477.db2.gz HYGQWIQFRFGRJH-UHFFFAOYSA-N 1 0 424.541 3.337 50 0 HGAARO CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000012596765 558438207 /nfs/dbraw/zinc/43/82/07/558438207.db2.gz AVLAVVRMBHHQLZ-NRFANRHFSA-N 1 0 416.562 3.284 50 0 HGAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NCC3CCOCC3)CC2)CC1 ZINC000012703912 558448775 /nfs/dbraw/zinc/44/87/75/558448775.db2.gz WWFKUZVEWXRBCV-UHFFFAOYSA-N 1 0 413.606 3.214 50 0 HGAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2SC)CC1 ZINC000012762624 558461288 /nfs/dbraw/zinc/46/12/88/558461288.db2.gz DGOAESQSKKVNJP-IBGZPJMESA-N 1 0 406.592 3.388 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C)c2)cc1 ZINC000013039454 558506155 /nfs/dbraw/zinc/50/61/55/558506155.db2.gz FXMUXOXDOGKQLM-KRWDZBQOSA-N 1 0 403.548 3.315 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(OC)c2)cc1 ZINC000013058857 558509462 /nfs/dbraw/zinc/50/94/62/558509462.db2.gz SIHXYQBZLOGAHU-MRXNPFEDSA-N 1 0 419.547 3.015 50 0 HGAARO Cn1cc(CN2CC[NH+](CCC(N)=O)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000022853608 558517150 /nfs/dbraw/zinc/51/71/50/558517150.db2.gz UFGFPMLKPTYSJI-UHFFFAOYSA-N 1 0 409.578 3.128 50 0 HGAARO Cc1nonc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012574522 558539971 /nfs/dbraw/zinc/53/99/71/558539971.db2.gz OIXFQASLVYUZSI-OAQYLSRUSA-N 1 0 412.534 3.220 50 0 HGAARO CN(Cc1nc(COc2ccccc2)no1)CC1([NH+]2CCOCC2)CCCCC1 ZINC000023360005 558551723 /nfs/dbraw/zinc/55/17/23/558551723.db2.gz IIOORNLEDWXJEB-UHFFFAOYSA-N 1 0 400.523 3.116 50 0 HGAARO CCOC(=O)c1sc2ncnc(NCC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)c2c1C ZINC000024528294 558600269 /nfs/dbraw/zinc/60/02/69/558600269.db2.gz JWKGELGXBMFBEC-CHWSQXEVSA-N 1 0 406.552 3.476 50 0 HGAARO COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1C ZINC000014079256 558618360 /nfs/dbraw/zinc/61/83/60/558618360.db2.gz FVKPEXNKWLDDPR-IBGZPJMESA-N 1 0 413.518 3.384 50 0 HGAARO COc1ccccc1[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)[NH+]1CCCC1 ZINC000024893372 558619283 /nfs/dbraw/zinc/61/92/83/558619283.db2.gz UIFZKTJNSIGSMV-CQSZACIVSA-N 1 0 406.412 3.401 50 0 HGAARO CC(C)CC[C@H](C)[N@H+](C[C@@H](O)COCc1ccco1)C[C@H](O)COCc1ccco1 ZINC000025051837 558628825 /nfs/dbraw/zinc/62/88/25/558628825.db2.gz GMVQJAPQQYZGFA-PCCBWWKXSA-N 1 0 423.550 3.455 50 0 HGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014184205 558629634 /nfs/dbraw/zinc/62/96/34/558629634.db2.gz WGDVCZQOANVJFO-JOCHJYFZSA-N 1 0 409.505 3.069 50 0 HGAARO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000025231751 558635364 /nfs/dbraw/zinc/63/53/64/558635364.db2.gz DHLQMQQQQLGETD-GCJKJVERSA-N 1 0 408.498 3.269 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000014252640 558650634 /nfs/dbraw/zinc/65/06/34/558650634.db2.gz IRAIFQMCNSUAFQ-OAQYLSRUSA-N 1 0 415.484 3.236 50 0 HGAARO COCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](CC(C)(C)C)CC2)C1=O ZINC000014541434 558660075 /nfs/dbraw/zinc/66/00/75/558660075.db2.gz LCKDUSWNALJXPR-UHFFFAOYSA-N 1 0 401.551 3.020 50 0 HGAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 ZINC000014739047 558666293 /nfs/dbraw/zinc/66/62/93/558666293.db2.gz DCARHHQUPKHJEI-UHFFFAOYSA-N 1 0 409.530 3.264 50 0 HGAARO COc1ccc(C[N@H+](C)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000026901020 558666663 /nfs/dbraw/zinc/66/66/63/558666663.db2.gz RQGZAMNLOCUXOP-UHFFFAOYSA-N 1 0 415.509 3.014 50 0 HGAARO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1Cl ZINC000026901898 558666751 /nfs/dbraw/zinc/66/67/51/558666751.db2.gz YYSGSXAWMXPRIL-CQSZACIVSA-N 1 0 408.333 3.173 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1c(F)cccc1F)CC2 ZINC000014744074 558668262 /nfs/dbraw/zinc/66/82/62/558668262.db2.gz LRUQVWYHCJTRGE-CQSZACIVSA-N 1 0 414.456 3.211 50 0 HGAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014745722 558668959 /nfs/dbraw/zinc/66/89/59/558668959.db2.gz MQVNVXNUXFGQMR-UHFFFAOYSA-N 1 0 421.541 3.175 50 0 HGAARO CCCCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccc(OC)c(OC)c2)C1 ZINC000014748899 558670241 /nfs/dbraw/zinc/67/02/41/558670241.db2.gz GLOYNHSUVXUKNO-NHCUHLMSSA-N 1 0 417.594 3.154 50 0 HGAARO CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000027333878 558672082 /nfs/dbraw/zinc/67/20/82/558672082.db2.gz ODMFZMHKDBTGQL-AZUAARDMSA-N 1 0 401.482 3.126 50 0 HGAARO CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CC[NH+](C[C@H]2CC=CCC2)CC3)CC1 ZINC000014882437 558676707 /nfs/dbraw/zinc/67/67/07/558676707.db2.gz RRTYXIISTKYERG-AZUAARDMSA-N 1 0 403.567 3.182 50 0 HGAARO CC(=O)c1cccc(Nc2nc(NN3CCOCC3)[nH+]nc2-c2cccc(F)c2)c1 ZINC000027643489 558677510 /nfs/dbraw/zinc/67/75/10/558677510.db2.gz VQZJNDOLYTZFPK-UHFFFAOYSA-N 1 0 408.437 3.283 50 0 HGAARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000027662227 558678109 /nfs/dbraw/zinc/67/81/09/558678109.db2.gz XLWMRHZNELERJC-NRFANRHFSA-N 1 0 401.938 3.457 50 0 HGAARO COc1cc(CNCc2csc(C)n2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000014949276 558680564 /nfs/dbraw/zinc/68/05/64/558680564.db2.gz VIQQIXPQBHIMCO-HXUWFJFHSA-N 1 0 419.591 3.366 50 0 HGAARO COc1ccc(C(=O)N[C@H](C)c2cn(C)nc2C)cc1OC1CC[NH+](C(C)C)CC1 ZINC000014962115 558684383 /nfs/dbraw/zinc/68/43/83/558684383.db2.gz CLAJJGGYTPEMMT-MRXNPFEDSA-N 1 0 414.550 3.480 50 0 HGAARO Cc1cc(C)n(CC[NH2+]C2CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC2)n1 ZINC000014990882 558694279 /nfs/dbraw/zinc/69/42/79/558694279.db2.gz KHCFWROZMYMESE-UHFFFAOYSA-N 1 0 409.578 3.431 50 0 HGAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 ZINC000014992571 558694960 /nfs/dbraw/zinc/69/49/60/558694960.db2.gz IQNZPBZEWQPKHF-UHFFFAOYSA-N 1 0 410.547 3.340 50 0 HGAARO O=c1c2c3c(sc2ncn1CCc1ccc(F)cc1)C[C@H]([NH2+]Cc1ccon1)CC3 ZINC000015000129 558697377 /nfs/dbraw/zinc/69/73/77/558697377.db2.gz GWRJQORYQMVUOV-MRXNPFEDSA-N 1 0 424.501 3.475 50 0 HGAARO O=c1c2c3c(sc2ncn1CCc1ccc(F)cc1)C[C@@H]([NH2+]Cc1ccon1)CC3 ZINC000015000127 558697388 /nfs/dbraw/zinc/69/73/88/558697388.db2.gz GWRJQORYQMVUOV-INIZCTEOSA-N 1 0 424.501 3.475 50 0 HGAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@H]2CCc3ccccc3O2)cc1 ZINC000015000318 558697625 /nfs/dbraw/zinc/69/76/25/558697625.db2.gz IZJQXVXKKGMYOL-FCHUYYIVSA-N 1 0 422.525 3.338 50 0 HGAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@@H]1OCCc2ccccc21 ZINC000015008795 558699701 /nfs/dbraw/zinc/69/97/01/558699701.db2.gz MWJYCKGBLLHHOS-REWPJTCUSA-N 1 0 412.505 3.489 50 0 HGAARO Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]C2CCCCCC2)C4)cn1 ZINC000015068636 558711308 /nfs/dbraw/zinc/71/13/08/558711308.db2.gz SQHFVZGCYRWUQZ-QGZVFWFLSA-N 1 0 411.575 3.410 50 0 HGAARO Cc1nnc([C@@H](C)NC(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)[nH]1 ZINC000015073484 558714178 /nfs/dbraw/zinc/71/41/78/558714178.db2.gz QJZAKVKFNGNIQQ-QGZVFWFLSA-N 1 0 403.530 3.002 50 0 HGAARO O=C(CNC(=O)c1ccc2ccccc2c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029840018 558722169 /nfs/dbraw/zinc/72/21/69/558722169.db2.gz OUBOMKAJMYSUAP-UHFFFAOYSA-N 1 0 401.510 3.134 50 0 HGAARO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304991 558756783 /nfs/dbraw/zinc/75/67/83/558756783.db2.gz HHPIENICULYOPB-VQTJNVASSA-N 1 0 403.592 3.031 50 0 HGAARO O=C(CCN(C(=O)c1ccc(F)c(Cl)c1)C1CCCCCC1)N1CC[NH2+]CC1 ZINC000035421518 558791239 /nfs/dbraw/zinc/79/12/39/558791239.db2.gz ZBBALSZHAYWQDJ-UHFFFAOYSA-N 1 0 409.933 3.466 50 0 HGAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000036095779 558797632 /nfs/dbraw/zinc/79/76/32/558797632.db2.gz YWZVMCXBNCBSLJ-HXUWFJFHSA-N 1 0 401.503 3.410 50 0 HGAARO CCOC(=O)[C@@H]1CCCN(C2CC[NH+]([C@@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000039518439 558821976 /nfs/dbraw/zinc/82/19/76/558821976.db2.gz UONLGUZLAWTBBK-NHCUHLMSSA-N 1 0 421.626 3.153 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(NC(=O)c2nnc(C)s2)c1 ZINC000033022598 558837747 /nfs/dbraw/zinc/83/77/47/558837747.db2.gz LBTDJUDERZWUQF-GOSISDBHSA-N 1 0 415.563 3.483 50 0 HGAARO CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2cccn2-c2ncccn2)CC1 ZINC000019145217 558846648 /nfs/dbraw/zinc/84/66/48/558846648.db2.gz WOQFRGKDSINTRH-FQEVSTJZSA-N 1 0 412.534 3.372 50 0 HGAARO O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000033026952 558848313 /nfs/dbraw/zinc/84/83/13/558848313.db2.gz HMJZDRBXOSOXHT-UHFFFAOYSA-N 1 0 418.541 3.184 50 0 HGAARO Cc1cccn2c(CN3CC[C@H]([NH+](C)C)C3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019225960 558852613 /nfs/dbraw/zinc/85/26/13/558852613.db2.gz IWYNGTDZPPGJON-NRFANRHFSA-N 1 0 419.573 3.093 50 0 HGAARO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1N1CCNC1=O ZINC000067973848 558862274 /nfs/dbraw/zinc/86/22/74/558862274.db2.gz SUYVXNGDZUXXKL-JOCHJYFZSA-N 1 0 420.557 3.352 50 0 HGAARO COc1ccc(-c2n[nH]cc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000072329297 558864745 /nfs/dbraw/zinc/86/47/45/558864745.db2.gz OHSITWFJKWQMEH-UHFFFAOYSA-N 1 0 420.513 3.488 50 0 HGAARO Cc1noc(C)c1CC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055035767 558869904 /nfs/dbraw/zinc/86/99/04/558869904.db2.gz HMYOUKHUZUCCKA-HXUWFJFHSA-N 1 0 416.953 3.301 50 0 HGAARO COC(=O)[C@]1(C)C[C@H](C(=O)N(C)Cc2ccncc2C)[C@H](c2ccccc2C)[N@@H+]1C ZINC000055060817 558871313 /nfs/dbraw/zinc/87/13/13/558871313.db2.gz AQMJSPWBORZUGE-HFMPRLQTSA-N 1 0 409.530 3.282 50 0 HGAARO O=C(c1cc2ccccc2oc1=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055073518 558871491 /nfs/dbraw/zinc/87/14/91/558871491.db2.gz XCUANCCFHYIIJT-NRFANRHFSA-N 1 0 417.509 3.220 50 0 HGAARO Cc1nc2sccn2c1C[NH+]1CCC(n2nccc2NC(=O)c2cccnc2)CC1 ZINC000055099707 558872291 /nfs/dbraw/zinc/87/22/91/558872291.db2.gz QUPSNYWEKKJSOB-UHFFFAOYSA-N 1 0 421.530 3.385 50 0 HGAARO CN(C)c1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000055153682 558874203 /nfs/dbraw/zinc/87/42/03/558874203.db2.gz NIOOESFUAGVCEU-QHCPKHFHSA-N 1 0 410.537 3.319 50 0 HGAARO CCOc1cc(/C=C/C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1OC(F)F ZINC000058017756 558895647 /nfs/dbraw/zinc/89/56/47/558895647.db2.gz XOONOSBGFTWWMK-PDFOZTTASA-N 1 0 424.488 3.413 50 0 HGAARO CC(C)N1C[C@@H](CC[NH+]2CCN(C)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000071769348 558910893 /nfs/dbraw/zinc/91/08/93/558910893.db2.gz QVBQPQLUNIZAEJ-XMMPIXPASA-N 1 0 405.586 3.477 50 0 HGAARO Cc1cccc(NC(=O)c2cc(S(=O)(=O)NCC[NH+]3CCCC3)ccc2Cl)c1 ZINC000058198276 558911171 /nfs/dbraw/zinc/91/11/71/558911171.db2.gz JTPIEVJDJVJBGK-UHFFFAOYSA-N 1 0 421.950 3.275 50 0 HGAARO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC000058215694 558912359 /nfs/dbraw/zinc/91/23/59/558912359.db2.gz FPJRZUDGFHBPHE-ICSRJNTNSA-N 1 0 409.530 3.393 50 0 HGAARO CCOc1ccc(-c2nc(CSCC(=O)NCC[NH+]3CCCC3)c(C)o2)cc1 ZINC000004714931 558914477 /nfs/dbraw/zinc/91/44/77/558914477.db2.gz BVHWHRPRDBAQPR-UHFFFAOYSA-N 1 0 403.548 3.494 50 0 HGAARO CC1CC[NH+](CC2CCN(C(=O)CCNC(=O)c3ccc(F)cc3F)CC2)CC1 ZINC000058419914 558925621 /nfs/dbraw/zinc/92/56/21/558925621.db2.gz JHRZPUAIDXFXJO-UHFFFAOYSA-N 1 0 407.505 3.055 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061684 558955253 /nfs/dbraw/zinc/95/52/53/558955253.db2.gz IGXNEFKRKRNOKA-INIZCTEOSA-N 1 0 415.563 3.104 50 0 HGAARO Cc1cc(Br)ccc1NC(=O)CCc1nc(C2=CC[N@H+](C)CC2)no1 ZINC000033069122 558983335 /nfs/dbraw/zinc/98/33/35/558983335.db2.gz FFSGNZAGNQZCQW-UHFFFAOYSA-N 1 0 405.296 3.431 50 0 HGAARO CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CCCCC3)c2)C1 ZINC000033264389 558984420 /nfs/dbraw/zinc/98/44/20/558984420.db2.gz RDXZOCGIGCWMAA-OAQYLSRUSA-N 1 0 400.567 3.200 50 0 HGAARO CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)C1 ZINC000033264208 558984666 /nfs/dbraw/zinc/98/46/66/558984666.db2.gz DEYOZCVNKKPZOG-NRFANRHFSA-N 1 0 400.567 3.201 50 0 HGAARO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000072405730 558984781 /nfs/dbraw/zinc/98/47/81/558984781.db2.gz VCNNPYADKSFNCF-JOCHJYFZSA-N 1 0 404.514 3.096 50 0 HGAARO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000067757698 558992448 /nfs/dbraw/zinc/99/24/48/558992448.db2.gz FKXSSXUYNAYXFU-HXUWFJFHSA-N 1 0 403.482 3.134 50 0 HGAARO C[NH+](C)Cc1ccc(CNC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000096883385 558993621 /nfs/dbraw/zinc/99/36/21/558993621.db2.gz AZAGVCHJQFZZSN-SEYXRHQNSA-N 1 0 405.542 3.316 50 0 HGAARO O=C(C1CC[NH2+]CC1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067895338 558994536 /nfs/dbraw/zinc/99/45/36/558994536.db2.gz UXECFZVFYHABAO-UHFFFAOYSA-N 1 0 409.511 3.390 50 0 HGAARO C[C@@H]([NH3+])C(=O)N1CCOc2c(O)cc(-c3ncc(C(F)(F)F)cc3Cl)cc2C1 ZINC000067934729 558994957 /nfs/dbraw/zinc/99/49/57/558994957.db2.gz YLLUKWJNZIJUPC-SECBINFHSA-N 1 0 415.799 3.195 50 0 HGAARO C[N@H+](CCCN1CC2(CCN(C(=O)c3ccccn3)CC2)OC1=O)C1CCCCC1 ZINC000077472273 559006666 /nfs/dbraw/zinc/00/66/66/559006666.db2.gz AKRGLMRXSXSKOG-UHFFFAOYSA-N 1 0 414.550 3.163 50 0 HGAARO CCOc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000023127734 559016022 /nfs/dbraw/zinc/01/60/22/559016022.db2.gz HZBUSYLLCWEWBF-UHFFFAOYSA-N 1 0 412.552 3.476 50 0 HGAARO CCNC(=O)COc1ccc(CNc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000097032359 559021106 /nfs/dbraw/zinc/02/11/06/559021106.db2.gz RAROBLRJKNRSSP-UHFFFAOYSA-N 1 0 410.562 3.344 50 0 HGAARO CCc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)nc1 ZINC000082100037 559038069 /nfs/dbraw/zinc/03/80/69/559038069.db2.gz KORZEEMCFFGFJK-QFIPXVFZSA-N 1 0 421.589 3.032 50 0 HGAARO CC(C)SCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082107905 559038461 /nfs/dbraw/zinc/03/84/61/559038461.db2.gz FXBLNFVEWFWRIS-HXUWFJFHSA-N 1 0 404.624 3.016 50 0 HGAARO CCOC(=O)c1ccc(C(=O)c2ccccc2C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000085651550 559057224 /nfs/dbraw/zinc/05/72/24/559057224.db2.gz HAAWGGVILKIGBQ-UHFFFAOYSA-N 1 0 409.482 3.433 50 0 HGAARO O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000247726315 559077992 /nfs/dbraw/zinc/07/79/92/559077992.db2.gz CXIZJYGEFJRNDW-DYESRHJHSA-N 1 0 405.970 3.094 50 0 HGAARO Cc1c2ccccc2[nH]c1C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095498080 559081662 /nfs/dbraw/zinc/08/16/62/559081662.db2.gz BCMHHEBQPWADRF-UHFFFAOYSA-N 1 0 403.530 3.485 50 0 HGAARO COc1ccnc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000095503076 559082546 /nfs/dbraw/zinc/08/25/46/559082546.db2.gz RLEAGLMLLKSEJS-NRFANRHFSA-N 1 0 401.551 3.366 50 0 HGAARO O=C(c1cnco1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095520811 559085269 /nfs/dbraw/zinc/08/52/69/559085269.db2.gz AEQZPVSHWPPXLI-IBGZPJMESA-N 1 0 401.482 3.347 50 0 HGAARO O[C@H](C[NH2+]C[C@H](c1cccs1)N1CCOCC1)CO[C@H]1CCCc2ccccc21 ZINC000247741229 559114604 /nfs/dbraw/zinc/11/46/04/559114604.db2.gz OLYKVYHNIWOIIW-FCEUIQTBSA-N 1 0 416.587 3.166 50 0 HGAARO CC(C)C[NH+](CCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)CC(C)C ZINC000004931295 559209803 /nfs/dbraw/zinc/20/98/03/559209803.db2.gz UMJFPDMRXFFXCD-UHFFFAOYSA-N 1 0 423.001 3.308 50 0 HGAARO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000005042775 559236086 /nfs/dbraw/zinc/23/60/86/559236086.db2.gz OTKOUSRRUMNYLV-QGZVFWFLSA-N 1 0 418.559 3.414 50 0 HGAARO Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)OCC[NH+](C)C)cc1 ZINC000005054836 559237566 /nfs/dbraw/zinc/23/75/66/559237566.db2.gz HJWZKLATRQRKHT-QNGOZBTKSA-N 1 0 405.498 3.362 50 0 HGAARO Cc1cc(CN2CCC(Oc3ccc(C(=O)NCc4ccncc4)cc3)CC2)[nH]n1 ZINC000011819529 559260463 /nfs/dbraw/zinc/26/04/63/559260463.db2.gz WANUQRALCYDLOV-UHFFFAOYSA-N 1 0 405.502 3.087 50 0 HGAARO CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCC[NH+](C)C)c1=O ZINC000012016380 559271234 /nfs/dbraw/zinc/27/12/34/559271234.db2.gz YLZGZBHRIXEXSG-UHFFFAOYSA-N 1 0 404.514 3.279 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)N(C)CC3(CO)CCC3)csc2C1 ZINC000426477329 559271718 /nfs/dbraw/zinc/27/17/18/559271718.db2.gz DVLFTOCJDMNASB-UHFFFAOYSA-N 1 0 403.548 3.146 50 0 HGAARO C[NH2+]Cc1cc(Br)c(OCC(=O)Nc2ccccc2OC)c(OC)c1 ZINC000004670846 560735837 /nfs/dbraw/zinc/73/58/37/560735837.db2.gz BRSQRPYSMSPGBC-UHFFFAOYSA-N 1 0 409.280 3.203 50 0 HGAARO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](C4CCSCC4)C3)C2=O)c1OC ZINC000012198921 560891970 /nfs/dbraw/zinc/89/19/70/560891970.db2.gz ZQCJYOTYHQORMV-QFIPXVFZSA-N 1 0 404.576 3.414 50 0 HGAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000047732879 568431115 /nfs/dbraw/zinc/43/11/15/568431115.db2.gz BILYUNOSQRWUNV-QFIPXVFZSA-N 1 0 417.513 3.250 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(F)cc1I ZINC000048159035 568432186 /nfs/dbraw/zinc/43/21/86/568432186.db2.gz MYGOHTAMGUDKMN-LBPRGKRZSA-N 1 0 404.267 3.425 50 0 HGAARO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)c2)c1 ZINC000048274830 568435467 /nfs/dbraw/zinc/43/54/67/568435467.db2.gz CWTQTXBSHUKIMA-IBGZPJMESA-N 1 0 413.543 3.071 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000048333002 568439327 /nfs/dbraw/zinc/43/93/27/568439327.db2.gz OUXLBUFJDKKVCT-CALCHBBNSA-N 1 0 407.514 3.425 50 0 HGAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 ZINC000048332089 568439992 /nfs/dbraw/zinc/43/99/92/568439992.db2.gz HSMPASCZKJJMEE-JOCHJYFZSA-N 1 0 413.949 3.097 50 0 HGAARO CC(C)CC[C@@H](C)[NH+](C[C@H](O)COCc1ccco1)C[C@H](O)COCc1ccco1 ZINC000037474972 568441734 /nfs/dbraw/zinc/44/17/34/568441734.db2.gz GMVQJAPQQYZGFA-HKBOAZHASA-N 1 0 423.550 3.455 50 0 HGAARO CC[N@@H+]1CCCN(c2ccc(C(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)cn2)CC1 ZINC000216442967 568465471 /nfs/dbraw/zinc/46/54/71/568465471.db2.gz GKVPFXJJXRHYEN-HXUWFJFHSA-N 1 0 400.567 3.081 50 0 HGAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NC[C@@H]4CCCO4)ccc3n2)CC1 ZINC000020153532 568590861 /nfs/dbraw/zinc/59/08/61/568590861.db2.gz WIZJEPDBWAESST-SFHVURJKSA-N 1 0 413.591 3.151 50 0 HGAARO CCOC(=O)C(C)(C)n1cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cn1 ZINC000095423095 568607544 /nfs/dbraw/zinc/60/75/44/568607544.db2.gz FPNLXRHTAMVMIL-KRWDZBQOSA-N 1 0 416.497 3.171 50 0 HGAARO C=C1C(Nc2ccc(CN3CC[NH+](CC)CC3)cc2)=NS(=O)(=O)C1c1ccccc1 ZINC000020901155 568649799 /nfs/dbraw/zinc/64/97/99/568649799.db2.gz YHTHDTKNXZIBDD-UHFFFAOYSA-N 1 0 424.570 3.409 50 0 HGAARO CCN(CC)c1ncc2c(n1)CC[C@H](C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000096310488 568674354 /nfs/dbraw/zinc/67/43/54/568674354.db2.gz UOXSYTQLMOSMHS-FQEVSTJZSA-N 1 0 421.589 3.209 50 0 HGAARO CN(C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1F ZINC000238923532 568727379 /nfs/dbraw/zinc/72/73/79/568727379.db2.gz OMSNOCHOYRUFGE-INIZCTEOSA-N 1 0 419.291 3.309 50 0 HGAARO CCOc1ccc(OCC)c(NC(=O)C2=C(C)C(=O)OC23CC[NH+](CC)CC3)c1 ZINC000021868604 568756063 /nfs/dbraw/zinc/75/60/63/568756063.db2.gz WHUZRGMPMRVEBU-UHFFFAOYSA-N 1 0 402.491 3.150 50 0 biogenic HGAARO COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CC[NH+](C)CC1 ZINC000022582564 568770830 /nfs/dbraw/zinc/77/08/30/568770830.db2.gz RKPCIVCHOQMESK-FQEVSTJZSA-N 1 0 401.938 3.376 50 0 HGAARO CCC[NH+](CCC)CCNC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc21 ZINC000002943902 568819798 /nfs/dbraw/zinc/81/97/98/568819798.db2.gz OZDAWZJLKVVWES-UHFFFAOYSA-N 1 0 422.529 3.246 50 0 HGAARO COc1ccccc1N1CCN([C@H](CNC(=O)c2cccs2)c2cccnc2)CC1 ZINC000056896214 568820947 /nfs/dbraw/zinc/82/09/47/568820947.db2.gz NSLFKEVJDQMADO-HXUWFJFHSA-N 1 0 422.554 3.445 50 0 HGAARO C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CCCCC1 ZINC000012548407 568851596 /nfs/dbraw/zinc/85/15/96/568851596.db2.gz ARNCGEGKQVNACS-UHFFFAOYSA-N 1 0 415.559 3.482 50 0 HGAARO CC[NH+](CC)CCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1 ZINC000003057959 568851841 /nfs/dbraw/zinc/85/18/41/568851841.db2.gz MUSXTEWCSZGPRB-UHFFFAOYSA-N 1 0 406.548 3.165 50 0 HGAARO Cc1sc2nc(C)n(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)c2c1C ZINC000230206175 568854858 /nfs/dbraw/zinc/85/48/58/568854858.db2.gz NPIOYZSTVVAYJO-ROUUACIJSA-N 1 0 416.591 3.154 50 0 biogenic HGAARO O=C(CC[C@@H](O)c1ccc2c(c1)CCC(=O)N2)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000230283508 568857651 /nfs/dbraw/zinc/85/76/51/568857651.db2.gz WDJHVOIQPUXOTG-FYYLOGMGSA-N 1 0 421.541 3.166 50 0 HGAARO Cc1ccccc1C[N@@H+]1CCCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000030154155 568858405 /nfs/dbraw/zinc/85/84/05/568858405.db2.gz KRQHLJDHWIBVTH-UHFFFAOYSA-N 1 0 417.351 3.299 50 0 HGAARO Cc1cnc(-n2ncc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2C2CC2)nc1-c1cccs1 ZINC000299766015 568873807 /nfs/dbraw/zinc/87/38/07/568873807.db2.gz ANYQDJIDGHNLHQ-INIZCTEOSA-N 1 0 422.558 3.353 50 0 HGAARO CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CC[NH+](C/C=C/c2ccco2)CC3)CC1 ZINC000299775786 568874707 /nfs/dbraw/zinc/87/47/07/568874707.db2.gz KKHNXFGBSOIUJD-HQMUEHRGSA-N 1 0 415.534 3.132 50 0 HGAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000299785289 568875485 /nfs/dbraw/zinc/87/54/85/568875485.db2.gz ZYPHDWZNGQDHQA-NRFANRHFSA-N 1 0 416.468 3.236 50 0 HGAARO O=C(CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH+]1CCCC1)NCCCn1ccnc1 ZINC000299794780 568876287 /nfs/dbraw/zinc/87/62/87/568876287.db2.gz IZNHLOMQFQBXMY-BJKOFHAPSA-N 1 0 423.605 3.156 50 0 HGAARO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000058015878 568876361 /nfs/dbraw/zinc/87/63/61/568876361.db2.gz XXBBDAOYXLISKO-UHFFFAOYSA-N 1 0 409.412 3.054 50 0 HGAARO Cn1nnc(-c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCCCC3)cc2)n1 ZINC000670440773 568890504 /nfs/dbraw/zinc/89/05/04/568890504.db2.gz CKWZGFQHIDUWDF-OAQYLSRUSA-N 1 0 404.518 3.224 50 0 HGAARO CN(C)C(=O)N1CCC(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000670440454 568892536 /nfs/dbraw/zinc/89/25/36/568892536.db2.gz MPNGRIIHNZJBJB-OAQYLSRUSA-N 1 0 400.567 3.114 50 0 HGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCN1C(=O)c1cccs1 ZINC000003504275 568910712 /nfs/dbraw/zinc/91/07/12/568910712.db2.gz JPLQYUUFHCUUDC-SJORKVTESA-N 1 0 401.532 3.289 50 0 HGAARO C[N@H+](CCO)C1(CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)CCCCC1 ZINC000083860960 568921424 /nfs/dbraw/zinc/92/14/24/568921424.db2.gz JFCSRLSTVPMUEF-UHFFFAOYSA-N 1 0 408.970 3.131 50 0 HGAARO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2)CC1 ZINC000031284701 568922052 /nfs/dbraw/zinc/92/20/52/568922052.db2.gz YFPQXAQPHNRLOM-NRFANRHFSA-N 1 0 409.530 3.176 50 0 HGAARO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Br)c1C ZINC000002780823 568939167 /nfs/dbraw/zinc/93/91/67/568939167.db2.gz RXYGVGZLPDFBPQ-KOLCDFICSA-N 1 0 413.282 3.380 50 0 HGAARO COc1ccc([C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1OC ZINC000004028776 568934072 /nfs/dbraw/zinc/93/40/72/568934072.db2.gz RZTRQDYTALSTEQ-HOTGVXAUSA-N 1 0 401.459 3.094 50 0 biogenic HGAARO CCc1ccc([C@H](CNC(=O)CNC(=O)Cc2cccc3ccccc32)[NH+](C)C)cc1 ZINC000012753416 568941946 /nfs/dbraw/zinc/94/19/46/568941946.db2.gz KXGZIQNCVYBYCS-DEOSSOPVSA-N 1 0 417.553 3.480 50 0 HGAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2c3cccc2C)c1 ZINC000004090941 568942249 /nfs/dbraw/zinc/94/22/49/568942249.db2.gz NUWKCRBCXHDKKZ-GGUMNFRJSA-N 1 0 423.513 3.432 50 0 biogenic HGAARO COc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)[NH+]2CCCC2)cc1 ZINC000012754332 568942325 /nfs/dbraw/zinc/94/23/25/568942325.db2.gz UBOBNMYEBPJCJE-OFNKIYASSA-N 1 0 421.541 3.310 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1I)c1cccc(F)c1 ZINC000012807823 568980382 /nfs/dbraw/zinc/98/03/82/568980382.db2.gz FXLXVSXKJHREDJ-INIZCTEOSA-N 1 0 412.246 3.463 50 0 HGAARO C[N@H+](CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)C1CCCCC1 ZINC000015770260 568997495 /nfs/dbraw/zinc/99/74/95/568997495.db2.gz GBTOYMMGOJLQIZ-UHFFFAOYSA-N 1 0 401.580 3.288 50 0 HGAARO Cc1nc2ccccc2n1CC1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000038488539 568997745 /nfs/dbraw/zinc/99/77/45/568997745.db2.gz NFOKZKVAOTXBBD-UHFFFAOYSA-N 1 0 420.513 3.102 50 0 HGAARO Cc1cccc(C(=O)NCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 ZINC000012851416 569010491 /nfs/dbraw/zinc/01/04/91/569010491.db2.gz OHVZBSSGOAOGKW-UHFFFAOYSA-N 1 0 420.538 3.378 50 0 HGAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)C1 ZINC000035399194 569035251 /nfs/dbraw/zinc/03/52/51/569035251.db2.gz BWDFBEYUWNIGGL-LJQANCHMSA-N 1 0 406.615 3.369 50 0 HGAARO CC1CCN(c2ccc(-c3noc(C(=O)NCC[NH+]4CCC(C)CC4)n3)cc2)CC1 ZINC000035457355 569037796 /nfs/dbraw/zinc/03/77/96/569037796.db2.gz ZEIQASUVBMFXFN-UHFFFAOYSA-N 1 0 411.550 3.435 50 0 HGAARO O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000013001546 569049481 /nfs/dbraw/zinc/04/94/81/569049481.db2.gz JOZUWPIWSNXBEX-FQEVSTJZSA-N 1 0 410.905 3.072 50 0 HGAARO C[NH+](C)C[C@H](O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000001829056 569056257 /nfs/dbraw/zinc/05/62/57/569056257.db2.gz LIHDYPZAJXATFM-AWEZNQCLSA-N 1 0 403.331 3.111 50 0 HGAARO CCc1cc2c(cc1OC(=O)[C@@H](C)N)oc([C@H](C)[NH3+])c(-c1nc(C)cs1)c2=O ZINC000001882462 569056858 /nfs/dbraw/zinc/05/68/58/569056858.db2.gz QBUYAFYGACENJH-WDEREUQCSA-N 1 0 401.488 3.060 50 0 biogenic HGAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CCc4ccccn4)C3)C2=O)c1OC ZINC000426397356 569072666 /nfs/dbraw/zinc/07/26/66/569072666.db2.gz HPBCIDUMMFSUEW-XMMPIXPASA-N 1 0 409.530 3.156 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@H]3CCCC[N@H+]3C)csc2C1 ZINC000426399006 569072725 /nfs/dbraw/zinc/07/27/25/569072725.db2.gz JSPADKZMLQMGGD-MRXNPFEDSA-N 1 0 402.564 3.125 50 0 HGAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4c[nH]c(=O)[nH]c4=O)C3)C2)cc1 ZINC000426517688 569073286 /nfs/dbraw/zinc/07/32/86/569073286.db2.gz XAUPJWVLLLAEQO-HSZRJFAPSA-N 1 0 410.518 3.140 50 0 HGAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2ccccc23)c1 ZINC000006623976 569075428 /nfs/dbraw/zinc/07/54/28/569075428.db2.gz RFBLYERDCPOBQR-UQNRQAKVSA-N 1 0 409.486 3.124 50 0 biogenic HGAARO CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000006638839 569076712 /nfs/dbraw/zinc/07/67/12/569076712.db2.gz UWAYTVIJHFLOSY-ZDUSSCGKSA-N 1 0 407.374 3.247 50 0 HGAARO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000006641631 569079913 /nfs/dbraw/zinc/07/99/13/569079913.db2.gz WTNJGYFYMAQZAK-NMNUPHIUSA-N 1 0 402.535 3.081 50 0 HGAARO CCc1cc(=O)oc2c(C)c(OCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006659889 569084010 /nfs/dbraw/zinc/08/40/10/569084010.db2.gz SMNCKQWBMXWZLQ-UHFFFAOYSA-N 1 0 400.519 3.468 50 0 HGAARO C[N@H+](CCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1)Cc1ccccc1 ZINC000064847052 569108267 /nfs/dbraw/zinc/10/82/67/569108267.db2.gz WBFNRXMGVWBRSE-UHFFFAOYSA-N 1 0 414.594 3.379 50 0 HGAARO O=C(CCCn1sc2ccccc2c1=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000006800198 569126860 /nfs/dbraw/zinc/12/68/60/569126860.db2.gz PKYHWRFFRNDWBE-UHFFFAOYSA-N 1 0 409.555 3.408 50 0 HGAARO CC(=O)c1cccc(NC(=O)c2sc3ncnc(N4CC[NH+](C)CC4)c3c2C)c1 ZINC000064957321 569134680 /nfs/dbraw/zinc/13/46/80/569134680.db2.gz VKQLWEKOGJTHEH-UHFFFAOYSA-N 1 0 409.515 3.206 50 0 HGAARO Cc1c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840810 569151457 /nfs/dbraw/zinc/15/14/57/569151457.db2.gz QKEDEBDIPWVIFU-HNNXBMFYSA-N 1 0 416.591 3.487 50 0 HGAARO CCCN(CCC)C(=O)c1cc(NC(=O)c2ccc(C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025335 569156230 /nfs/dbraw/zinc/15/62/30/569156230.db2.gz FPNJFJKYTLJQJD-UHFFFAOYSA-N 1 0 423.561 3.314 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000036390729 569166003 /nfs/dbraw/zinc/16/60/03/569166003.db2.gz IMRUZDXJRLHIMC-MRXNPFEDSA-N 1 0 421.463 3.415 50 0 HGAARO CCCC1N=NC(=S)N1CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000036391054 569166724 /nfs/dbraw/zinc/16/67/24/569166724.db2.gz KRZIZIDSQWWGMX-MRXNPFEDSA-N 1 0 401.580 3.210 50 0 HGAARO COc1ccc([C@H](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)NC(C)=O)cc1 ZINC000036392204 569167499 /nfs/dbraw/zinc/16/74/99/569167499.db2.gz URNRWIOFXOELHI-DEOSSOPVSA-N 1 0 423.557 3.352 50 0 HGAARO Cc1cc(C)c2c(n1)nc(C(=O)N1CCC([NH+]3CCCCC3)CC1)nc2N1CCCC1 ZINC000065231989 569201277 /nfs/dbraw/zinc/20/12/77/569201277.db2.gz KGJSQBKKKVBQCO-UHFFFAOYSA-N 1 0 422.577 3.332 50 0 HGAARO Cc1cc(C)c2c(n1)nc(C(=O)NC1CC[NH+](Cc3ccccc3)CC1)nc2N(C)C ZINC000065231936 569201306 /nfs/dbraw/zinc/20/13/06/569201306.db2.gz SYKUKSVSYJCQFB-UHFFFAOYSA-N 1 0 418.545 3.102 50 0 HGAARO O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC000524735462 569214271 /nfs/dbraw/zinc/21/42/71/569214271.db2.gz DFACRVVIZSABDD-JOCHJYFZSA-N 1 0 424.570 3.282 50 0 HGAARO C[NH+]1CCC(NC(=O)[C@@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000065273146 569216046 /nfs/dbraw/zinc/21/60/46/569216046.db2.gz JZGORWRLRYKZTN-MRXNPFEDSA-N 1 0 403.592 3.080 50 0 HGAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000065321306 569224243 /nfs/dbraw/zinc/22/42/43/569224243.db2.gz IHCHCIGNBFUBAD-UHFFFAOYSA-N 1 0 402.539 3.338 50 0 HGAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c(C)oc3ncn(C)c(=O)c32)o1 ZINC000065329565 569224797 /nfs/dbraw/zinc/22/47/97/569224797.db2.gz ZJVPDFNRTRHKJR-HNNXBMFYSA-N 1 0 412.490 3.122 50 0 HGAARO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)C1 ZINC000007339656 569234036 /nfs/dbraw/zinc/23/40/36/569234036.db2.gz ZXMUBSCVNKOHLD-QZTJIDSGSA-N 1 0 407.580 3.168 50 0 HGAARO CC[NH+](CC)CCNC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579480 569256459 /nfs/dbraw/zinc/25/64/59/569256459.db2.gz KDQPXADVXWAOCS-JWGURIENSA-N 1 0 404.514 3.397 50 0 HGAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)[nH+]1 ZINC000017012191 569271356 /nfs/dbraw/zinc/27/13/56/569271356.db2.gz GMOCLBFBUXPXBJ-UHFFFAOYSA-N 1 0 403.889 3.140 50 0 HGAARO CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000002100670 569281351 /nfs/dbraw/zinc/28/13/51/569281351.db2.gz NHZZGNAMAAEEJA-WUMKDDEVSA-N 1 0 416.562 3.472 50 0 HGAARO C[NH+](C)CCNc1nc2nn(-c3ccccc3)c(N)c2c(-c2cccc(F)c2F)n1 ZINC000037360066 569283425 /nfs/dbraw/zinc/28/34/25/569283425.db2.gz MGMFJJUJNBSWGA-UHFFFAOYSA-N 1 0 409.444 3.316 50 0 HGAARO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1 ZINC000170676891 569297916 /nfs/dbraw/zinc/29/79/16/569297916.db2.gz KAPZNRBXHNDJKM-GOSISDBHSA-N 1 0 410.486 3.377 50 0 HGAARO C[NH+](C)CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1 ZINC000037600420 569309103 /nfs/dbraw/zinc/30/91/03/569309103.db2.gz KXZSBIRURFCKTQ-UHFFFAOYSA-N 1 0 405.498 3.347 50 0 HGAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4cc5ccccc5[nH]4)CC3)C2)CC1 ZINC000581819832 569320885 /nfs/dbraw/zinc/32/08/85/569320885.db2.gz NKSGDNNSSBLOIX-NRFANRHFSA-N 1 0 424.589 3.348 50 0 HGAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1nnc(-c2cccnc2)o1 ZINC000013364169 569412145 /nfs/dbraw/zinc/41/21/45/569412145.db2.gz MTRJDIKUILDVAQ-UHFFFAOYSA-N 1 0 405.502 3.206 50 0 HGAARO Cc1ccccc1-c1nnc(SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000019316927 569416376 /nfs/dbraw/zinc/41/63/76/569416376.db2.gz ZPMIWKSCESBFNY-IBGZPJMESA-N 1 0 421.570 3.273 50 0 HGAARO CN(C(=O)COc1cccc2c1OC(C)(C)C2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000078720210 569420049 /nfs/dbraw/zinc/42/00/49/569420049.db2.gz YZNNCAPERUMWET-UHFFFAOYSA-N 1 0 423.557 3.339 50 0 HGAARO CC[NH+]1CCC(N(C)C(=O)CCC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000078964409 569422176 /nfs/dbraw/zinc/42/21/76/569422176.db2.gz CHBMHROKULZIJZ-UHFFFAOYSA-N 1 0 411.930 3.019 50 0 HGAARO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccccc1 ZINC000079025859 569424839 /nfs/dbraw/zinc/42/48/39/569424839.db2.gz NKRXCDKUDXPWOC-YCRPNKLZSA-N 1 0 411.527 3.095 50 0 HGAARO C[NH+](C)CCn1c(=O)c2ccccc2nc1SCc1ccc(N2CCCC2=O)cc1 ZINC000067258699 571057879 /nfs/dbraw/zinc/05/78/79/571057879.db2.gz PNZGZAXDRSBCMW-UHFFFAOYSA-N 1 0 422.554 3.377 50 0 HGAARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)c2ccccc2n1 ZINC000008864300 571128887 /nfs/dbraw/zinc/12/88/87/571128887.db2.gz HNMVKEDGZXMBLS-FQEVSTJZSA-N 1 0 408.527 3.497 50 0 HGAARO O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893083 571142832 /nfs/dbraw/zinc/14/28/32/571142832.db2.gz FCEDSNTXBGROMK-IBGZPJMESA-N 1 0 403.523 3.237 50 0 HGAARO O=C(C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000040051484 571145284 /nfs/dbraw/zinc/14/52/84/571145284.db2.gz QEZUQRBADUYNDU-DEOSSOPVSA-N 1 0 412.537 3.378 50 0 HGAARO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)C[C@H](C)O1 ZINC000040087476 571157870 /nfs/dbraw/zinc/15/78/70/571157870.db2.gz ICRUAOLBKNCHLM-GASCZTMLSA-N 1 0 418.335 3.383 50 0 HGAARO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)C[C@@H](C)O1 ZINC000040087478 571157894 /nfs/dbraw/zinc/15/78/94/571157894.db2.gz ICRUAOLBKNCHLM-HUUCEWRRSA-N 1 0 418.335 3.383 50 0 HGAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CSc2ccccc2F)CC1 ZINC000040089840 571159721 /nfs/dbraw/zinc/15/97/21/571159721.db2.gz FHUVJRDKPBBOLD-UHFFFAOYSA-N 1 0 401.551 3.372 50 0 HGAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(Br)cc2)CC1 ZINC000040089767 571159731 /nfs/dbraw/zinc/15/97/31/571159731.db2.gz CYPVDZMYROIHJT-UHFFFAOYSA-N 1 0 402.336 3.127 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000040112643 571170689 /nfs/dbraw/zinc/17/06/89/571170689.db2.gz GSEOVEAFEVUOJH-GOSISDBHSA-N 1 0 421.607 3.292 50 0 HGAARO C=C1C(N2CCC([NH+]3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000009286577 571245101 /nfs/dbraw/zinc/24/51/01/571245101.db2.gz IMQRYHOMWBBHLA-UHFFFAOYSA-N 1 0 403.548 3.118 50 0 HGAARO CN1c2ccccc2[C@]2(C1=O)[C@@H](C(=O)NCc1ccccc1Cl)C[C@H]1CCC[N@@H+]12 ZINC000057992422 571315454 /nfs/dbraw/zinc/31/54/54/571315454.db2.gz INHHSVFJVYCHNZ-JTUHZDRVSA-N 1 0 409.917 3.312 50 0 HGAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C[C@H](C)O2 ZINC000006798014 132317131 /nfs/dbraw/zinc/31/71/31/132317131.db2.gz CJWXNQKTDINBEM-ZCNNSNEGSA-N 1 0 415.578 3.373 50 0 HGAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)CCC(=O)N1C[C@H](C)Oc2ccccc21 ZINC000006798335 132317254 /nfs/dbraw/zinc/31/72/54/132317254.db2.gz YTEQOHXBFOSWQV-OTWHNJEPSA-N 1 0 401.551 3.350 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N1C[C@H](C)Oc2ccccc21 ZINC000006798319 132317264 /nfs/dbraw/zinc/31/72/64/132317264.db2.gz NTEYKFUGBCPPGP-RBUKOAKNSA-N 1 0 401.551 3.352 50 0 HGAARO CC(C)Cn1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c2ccccc2c1=O ZINC000007985886 132326590 /nfs/dbraw/zinc/32/65/90/132326590.db2.gz PEFGFGRBUIAMBS-UHFFFAOYSA-N 1 0 419.529 3.057 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2cc(C)ccc2O[C@@H](CC)C1=O ZINC000007991513 132326848 /nfs/dbraw/zinc/32/68/48/132326848.db2.gz SDAAHTTYDIXUBO-QUCCMNQESA-N 1 0 401.551 3.270 50 0 HGAARO C[C@@H](Cc1ccsc1)[NH2+]C1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1 ZINC000011791438 132350750 /nfs/dbraw/zinc/35/07/50/132350750.db2.gz FVRCNVQFWXEACL-INIZCTEOSA-N 1 0 422.620 3.156 50 0 HGAARO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000012557346 132363743 /nfs/dbraw/zinc/36/37/43/132363743.db2.gz APCRYIZJMOPVCE-UHFFFAOYSA-N 1 0 401.894 3.262 50 0 HGAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012732595 132366321 /nfs/dbraw/zinc/36/63/21/132366321.db2.gz IXOJCRZDOURNRY-IBGZPJMESA-N 1 0 421.419 3.236 50 0 HGAARO COc1ccc(OC)c(COC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000012420249 132447857 /nfs/dbraw/zinc/44/78/57/132447857.db2.gz SBAGXSSBMUYPJH-HXUWFJFHSA-N 1 0 420.937 3.057 50 0 HGAARO O=C(c1ccc(N2CCC([NH2+]Cc3cccs3)CC2)cc1)N1CCC[C@H](CO)C1 ZINC000014973484 132460697 /nfs/dbraw/zinc/46/06/97/132460697.db2.gz DTRHVVWOAZUKAK-SFHVURJKSA-N 1 0 413.587 3.351 50 0 HGAARO O=C(c1ccc(N2CCC([NH2+]Cc3cccs3)CC2)cc1)N1CCC[C@@H](CO)C1 ZINC000014973480 132460705 /nfs/dbraw/zinc/46/07/05/132460705.db2.gz DTRHVVWOAZUKAK-GOSISDBHSA-N 1 0 413.587 3.351 50 0 HGAARO CCCCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000032923881 520940609 /nfs/dbraw/zinc/94/06/09/520940609.db2.gz GGSMGMCKJLCHMP-NRFANRHFSA-N 1 0 415.559 3.233 50 0 HGAARO CCOc1ccc(CN2CC[N@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)cc1 ZINC000020600678 520975469 /nfs/dbraw/zinc/97/54/69/520975469.db2.gz BMNYEVARHZZMNA-DEOSSOPVSA-N 1 0 420.557 3.340 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc2C)CC1 ZINC000036632505 521698464 /nfs/dbraw/zinc/69/84/64/521698464.db2.gz URPWJTFHSAITPE-UHFFFAOYSA-N 1 0 414.594 3.360 50 0 HGAARO CN(C)C(=O)CSc1ccccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911492 523997435 /nfs/dbraw/zinc/99/74/35/523997435.db2.gz SIGKCDQRXFTHQF-IBGZPJMESA-N 1 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ZINC000034684541 557387726 /nfs/dbraw/zinc/38/77/26/557387726.db2.gz ACXHYAOIEWYROA-UHFFFAOYSA-N 1 0 416.525 3.474 50 0 HGAARO CCN1CCN(C(=O)c2ccc(C[NH+]3CCN(c4cccc(C)c4C)CC3)cc2)CC1 ZINC000034684878 557387987 /nfs/dbraw/zinc/38/79/87/557387987.db2.gz OXSLTGRLURJGMC-UHFFFAOYSA-N 1 0 420.601 3.403 50 0 HGAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(C)=O ZINC000034835492 557467602 /nfs/dbraw/zinc/46/76/02/557467602.db2.gz FKTZEHOBJNMZPG-UHFFFAOYSA-N 1 0 401.530 3.220 50 0 HGAARO CCOc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OCC ZINC000006703393 557716298 /nfs/dbraw/zinc/71/62/98/557716298.db2.gz REYZLOQDUJGLFD-UHFFFAOYSA-N 1 0 401.345 3.058 50 0 HGAARO CCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)N2CC[NH+](CC)CC2)c1=O ZINC000022697261 557783953 /nfs/dbraw/zinc/78/39/53/557783953.db2.gz AJUSDIIVRZUUQP-NRFANRHFSA-N 1 0 401.576 3.331 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2OC)N2CC[NH+](C)CC2)cc1 ZINC000022794390 557822099 /nfs/dbraw/zinc/82/20/99/557822099.db2.gz NTWROXFYBKQPBK-HXUWFJFHSA-N 1 0 417.937 3.076 50 0 HGAARO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011661623 558265578 /nfs/dbraw/zinc/26/55/78/558265578.db2.gz YRXLBFVAAKEIJO-LJQANCHMSA-N 1 0 412.530 3.283 50 0 HGAARO COc1cc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)c(Cl)cc1O ZINC000019745046 558265701 /nfs/dbraw/zinc/26/57/01/558265701.db2.gz WLYWMDTZOYBQRW-IBGZPJMESA-N 1 0 404.938 3.431 50 0 HGAARO CCOCc1cc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)ccc1OC ZINC000019772242 558280377 /nfs/dbraw/zinc/28/03/77/558280377.db2.gz SCDIFYZTHJNLFX-FQEVSTJZSA-N 1 0 404.576 3.362 50 0 HGAARO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](C3CCN(c4ccccc4C)CC3)C2)CC1 ZINC000019789972 558282138 /nfs/dbraw/zinc/28/21/38/558282138.db2.gz VHBOTPHJYQYDNJ-JOCHJYFZSA-N 1 0 414.594 3.202 50 0 HGAARO CCn1ccnc1CN1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000011819842 558283084 /nfs/dbraw/zinc/28/30/84/558283084.db2.gz ZNGIECZDDRXLOS-QHCPKHFHSA-N 1 0 423.605 3.286 50 0 HGAARO O=C(NCCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011821295 558284526 /nfs/dbraw/zinc/28/45/26/558284526.db2.gz OLDKGFPERXMQMG-QHCPKHFHSA-N 1 0 406.574 3.117 50 0 HGAARO O=C(c1cn(Cc2cccc(Cl)c2)nn1)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000011843581 558288473 /nfs/dbraw/zinc/28/84/73/558288473.db2.gz NTMPIFACCNECIV-SFHVURJKSA-N 1 0 401.942 3.318 50 0 HGAARO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)n1 ZINC000011935504 558299399 /nfs/dbraw/zinc/29/93/99/558299399.db2.gz FLRJTJAYNFOBCV-SFHVURJKSA-N 1 0 408.550 3.260 50 0 HGAARO Cc1cc(C)cc(N2C(=O)c3ccccc3/C(=C\NCCC[NH+]3CCOCC3)C2=O)c1 ZINC000019881351 558301092 /nfs/dbraw/zinc/30/10/92/558301092.db2.gz ASHVDEHATPUUSH-HAVVHWLPSA-N 1 0 419.525 3.143 50 0 HGAARO Cc1cc(OCC(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc(C)c1Cl ZINC000019902162 558305306 /nfs/dbraw/zinc/30/53/06/558305306.db2.gz FKNPUTFWWVCFOZ-UHFFFAOYSA-N 1 0 407.986 3.402 50 0 HGAARO OCC[C@@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)CC[N@@H+]1CCc1ccccc1 ZINC000020208023 558347131 /nfs/dbraw/zinc/34/71/31/558347131.db2.gz HPVYDAIYVOGLBM-HSZRJFAPSA-N 1 0 408.521 3.327 50 0 HGAARO O=C1C[C@H](c2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000020218668 558348398 /nfs/dbraw/zinc/34/83/98/558348398.db2.gz YACGSFQFKLDZPH-FVTFTPSCSA-N 1 0 420.900 3.302 50 0 HGAARO Cn1c(CCN2C(=O)CC[C@@H]2CC[NH2+]CCOc2ccc(F)cc2)nc2ccccc21 ZINC000012246166 558361624 /nfs/dbraw/zinc/36/16/24/558361624.db2.gz HCVDSSKUCBOUDL-LJQANCHMSA-N 1 0 424.520 3.305 50 0 HGAARO Cc1ccccc1C[N@H+]1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000020454107 558368078 /nfs/dbraw/zinc/36/80/78/558368078.db2.gz MICGVKJMPMJJPE-HXUWFJFHSA-N 1 0 417.557 3.455 50 0 HGAARO CN(CC(=O)N(C)CC1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccncc1 ZINC000012315495 558378852 /nfs/dbraw/zinc/37/88/52/558378852.db2.gz CMZQBLBOPGDARI-UHFFFAOYSA-N 1 0 412.553 3.066 50 0 HGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)Cc4cccnc4)C3)C2)c1OC ZINC000012434557 558408327 /nfs/dbraw/zinc/40/83/27/558408327.db2.gz VTSLKVUVEHDOGS-XMMPIXPASA-N 1 0 409.530 3.156 50 0 HGAARO Cc1cc(C)n2nc(C(=O)N(C)[C@@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)cc2n1 ZINC000012438118 558409831 /nfs/dbraw/zinc/40/98/31/558409831.db2.gz GWRVKXZXQJHUBP-HXUWFJFHSA-N 1 0 403.530 3.050 50 0 HGAARO Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)C[NH+]2CCCCC2)CC1 ZINC000020784391 558413595 /nfs/dbraw/zinc/41/35/95/558413595.db2.gz DODIWOLRLORRGK-UHFFFAOYSA-N 1 0 424.549 3.485 50 0 HGAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc(OC)c3OC)C2)c1C ZINC000012459753 558418803 /nfs/dbraw/zinc/41/88/03/558418803.db2.gz RMXBSCWMKVOEDJ-SFHVURJKSA-N 1 0 414.550 3.179 50 0 HGAARO CSCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012472726 558422291 /nfs/dbraw/zinc/42/22/91/558422291.db2.gz MBXGYPYZHQKRPR-QFIPXVFZSA-N 1 0 402.604 3.236 50 0 HGAARO CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000004337872 558423496 /nfs/dbraw/zinc/42/34/96/558423496.db2.gz IJHXCWYYZGJBJH-FQEVSTJZSA-N 1 0 410.445 3.438 50 0 HGAARO CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000012596770 558438182 /nfs/dbraw/zinc/43/81/82/558438182.db2.gz AVLAVVRMBHHQLZ-OAQYLSRUSA-N 1 0 416.562 3.284 50 0 HGAARO Cc1nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000021793673 558449349 /nfs/dbraw/zinc/44/93/49/558449349.db2.gz FWAMWVQKLQPNKG-UHFFFAOYSA-N 1 0 419.451 3.366 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NC2CCOCC2)c1 ZINC000012705509 558449861 /nfs/dbraw/zinc/44/98/61/558449861.db2.gz JHIRWFMQBNOBCX-UHFFFAOYSA-N 1 0 402.535 3.390 50 0 HGAARO COc1cc(C[NH2+]CCc2nnc3ccccn32)ccc1OCc1csc(C)n1 ZINC000021866282 558452780 /nfs/dbraw/zinc/45/27/80/558452780.db2.gz GTZFNRWXVMLCGU-UHFFFAOYSA-N 1 0 409.515 3.414 50 0 HGAARO OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1CCc1ccccc1 ZINC000022932832 558485869 /nfs/dbraw/zinc/48/58/69/558485869.db2.gz JWKRBUIXPMHKTO-HSZRJFAPSA-N 1 0 418.541 3.380 50 0 HGAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)cc1 ZINC000012987361 558495891 /nfs/dbraw/zinc/49/58/91/558495891.db2.gz JPFWLESUAZYCOF-UHFFFAOYSA-N 1 0 404.514 3.115 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2)cc1 ZINC000013038334 558505453 /nfs/dbraw/zinc/50/54/53/558505453.db2.gz YMBDSNMFWKAYSE-HNNXBMFYSA-N 1 0 407.511 3.146 50 0 HGAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C[NH2+]CCN1CCOCC1 ZINC000022774270 558509158 /nfs/dbraw/zinc/50/91/58/558509158.db2.gz GBSBIKKHOCEQQG-UHFFFAOYSA-N 1 0 406.530 3.029 50 0 HGAARO Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000013669508 558561159 /nfs/dbraw/zinc/56/11/59/558561159.db2.gz XTCGNCYTYPJCIR-UHFFFAOYSA-N 1 0 401.532 3.012 50 0 HGAARO CCN1CCN(C(=O)[C@@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000024177955 558590995 /nfs/dbraw/zinc/59/09/95/558590995.db2.gz VAXIYHFGOSSRCP-DENIHFKCSA-N 1 0 404.558 3.442 50 0 HGAARO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000024541253 558600814 /nfs/dbraw/zinc/60/08/14/558600814.db2.gz BTEGXLJSVFJXIS-JOCHJYFZSA-N 1 0 424.541 3.047 50 0 HGAARO Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NCC[NH+](C)C ZINC000013945783 558606967 /nfs/dbraw/zinc/60/69/67/558606967.db2.gz OKWUGBOYCWINFD-QHCPKHFHSA-N 1 0 404.514 3.089 50 0 HGAARO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(c2ccccc2)CC1 ZINC000024748069 558609696 /nfs/dbraw/zinc/60/96/96/558609696.db2.gz WSRXLKCKBFVGTI-INIZCTEOSA-N 1 0 409.486 3.374 50 0 HGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014184206 558629610 /nfs/dbraw/zinc/62/96/10/558629610.db2.gz WGDVCZQOANVJFO-QFIPXVFZSA-N 1 0 409.505 3.069 50 0 HGAARO COC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(Br)s2)c1 ZINC000014242191 558644739 /nfs/dbraw/zinc/64/47/39/558644739.db2.gz MIRLZTZRMBWKQZ-ZDUSSCGKSA-N 1 0 414.321 3.169 50 0 HGAARO CC(C)[C@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)[N@@H+]1CCc2ccccc2C1 ZINC000025919244 558652333 /nfs/dbraw/zinc/65/23/33/558652333.db2.gz XIQBCAATYUFTMC-QHCPKHFHSA-N 1 0 421.541 3.149 50 0 HGAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)c2ccccc21 ZINC000014536473 558658470 /nfs/dbraw/zinc/65/84/70/558658470.db2.gz WBZMVIFAIWVUHG-UHFFFAOYSA-N 1 0 417.513 3.002 50 0 HGAARO COc1ccccc1CC[NH2+][C@H]1CCc2c(c(C(=O)N3CCCCCC3)nn2C)C1 ZINC000014539263 558659166 /nfs/dbraw/zinc/65/91/66/558659166.db2.gz RKZSHHYMZYJVKZ-IBGZPJMESA-N 1 0 410.562 3.135 50 0 HGAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CCCOC ZINC000014744824 558668658 /nfs/dbraw/zinc/66/86/58/558668658.db2.gz WQRXNGIFHTWIDF-GOSISDBHSA-N 1 0 417.550 3.129 50 0 HGAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CCCOC ZINC000014744825 558668702 /nfs/dbraw/zinc/66/87/02/558668702.db2.gz WQRXNGIFHTWIDF-SFHVURJKSA-N 1 0 417.550 3.129 50 0 HGAARO CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027333875 558672124 /nfs/dbraw/zinc/67/21/24/558672124.db2.gz ODMFZMHKDBTGQL-QUCCMNQESA-N 1 0 401.482 3.126 50 0 HGAARO O=C(Nc1ccccc1O)C1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000027553821 558674808 /nfs/dbraw/zinc/67/48/08/558674808.db2.gz PXQCMQMGTKVDQS-UHFFFAOYSA-N 1 0 421.497 3.119 50 0 HGAARO COc1ccc(CCN2C(=O)CC[C@@H]2CC[NH2+]CCOc2ccc(F)cc2)cc1 ZINC000014880160 558675743 /nfs/dbraw/zinc/67/57/43/558675743.db2.gz AOLODCYRTGDZPO-HXUWFJFHSA-N 1 0 400.494 3.427 50 0 HGAARO O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014986987 558693083 /nfs/dbraw/zinc/69/30/83/558693083.db2.gz MDBZSTXKRGJWMB-XMMPIXPASA-N 1 0 409.530 3.032 50 0 HGAARO C[NH+](C)CC(C)(C)CNC(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000014988919 558693530 /nfs/dbraw/zinc/69/35/30/558693530.db2.gz BIEZWQNJYHRTQW-UHFFFAOYSA-N 1 0 408.506 3.117 50 0 HGAARO CC1(C)C[C@@H](NC(=O)c2ccc(C[N@H+]3CC=C(c4ccccc4)CC3)[nH]c2=O)CCO1 ZINC000014997649 558696598 /nfs/dbraw/zinc/69/65/98/558696598.db2.gz JKZWXJRTRKUVNM-FQEVSTJZSA-N 1 0 421.541 3.352 50 0 HGAARO Cc1cccc(-n2ccnc2C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)c1 ZINC000015063419 558706011 /nfs/dbraw/zinc/70/60/11/558706011.db2.gz KLOLKYCWZSNMMZ-JOCHJYFZSA-N 1 0 410.562 3.468 50 0 HGAARO O=C(c1cc[n+]([O-])cc1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015073261 558714142 /nfs/dbraw/zinc/71/41/42/558714142.db2.gz OAVRBYLSNJTOEZ-OAQYLSRUSA-N 1 0 408.546 3.402 50 0 HGAARO Cc1n[nH]c(C)c1CNC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000015075333 558715897 /nfs/dbraw/zinc/71/58/97/558715897.db2.gz PFLYKNJETZJSQZ-UHFFFAOYSA-N 1 0 402.542 3.355 50 0 HGAARO CCc1ccc(CN2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)o1 ZINC000015080789 558718971 /nfs/dbraw/zinc/71/89/71/558718971.db2.gz MAYRPUAPSNMCSI-UHFFFAOYSA-N 1 0 410.562 3.230 50 0 HGAARO Cc1cccc(N2CC[NH+](CC[C@H](C)NS(=O)(=O)c3cccc(F)c3)CC2)c1 ZINC000030439702 558730085 /nfs/dbraw/zinc/73/00/85/558730085.db2.gz BOQOCBUPGJCBSW-SFHVURJKSA-N 1 0 405.539 3.013 50 0 HGAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015996922 558765769 /nfs/dbraw/zinc/76/57/69/558765769.db2.gz GDODBXYULPSREU-QPXQOZNCSA-N 1 0 421.884 3.080 50 0 HGAARO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC000033318266 558766400 /nfs/dbraw/zinc/76/64/00/558766400.db2.gz FVEPAIGZKDTWEP-UHFFFAOYSA-N 1 0 415.925 3.010 50 0 HGAARO Cc1ccnc(N2CCC(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)n1 ZINC000035454462 558792148 /nfs/dbraw/zinc/79/21/48/558792148.db2.gz ISUBJPMXUJSZLZ-UHFFFAOYSA-N 1 0 421.589 3.072 50 0 HGAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000039442762 558821222 /nfs/dbraw/zinc/82/12/22/558821222.db2.gz QKGQLIQDIGCLKK-XMMPIXPASA-N 1 0 408.521 3.389 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)c2nnc(C)s2)cc1 ZINC000033011034 558830350 /nfs/dbraw/zinc/83/03/50/558830350.db2.gz CWOUGMLLEKDPQI-GOSISDBHSA-N 1 0 415.563 3.483 50 0 HGAARO CCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2)s1 ZINC000033011433 558830807 /nfs/dbraw/zinc/83/08/07/558830807.db2.gz COVMAPPMBNIEJE-OAHLLOKOSA-N 1 0 415.563 3.347 50 0 HGAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000018117964 558831500 /nfs/dbraw/zinc/83/15/00/558831500.db2.gz KGSNKOSIEYXJTF-MRXNPFEDSA-N 1 0 423.296 3.475 50 0 HGAARO O=C(CSc1nc2ncccc2n2cccc12)N1CCC([NH+]2CCCCC2)CC1 ZINC000033012067 558831619 /nfs/dbraw/zinc/83/16/19/558831619.db2.gz VWFFVYZUYQXGIP-UHFFFAOYSA-N 1 0 409.559 3.452 50 0 HGAARO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(OC)cc3)C2=O)cc1 ZINC000018250463 558834728 /nfs/dbraw/zinc/83/47/28/558834728.db2.gz LICUBWZNKBKNNS-NRFANRHFSA-N 1 0 424.497 3.116 50 0 biogenic HGAARO CCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c2)s1 ZINC000033022454 558837508 /nfs/dbraw/zinc/83/75/08/558837508.db2.gz PGBNIWXEDNSPBU-OAHLLOKOSA-N 1 0 415.563 3.347 50 0 HGAARO Cc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccccc3OCCO)C2)CC1 ZINC000019225640 558852521 /nfs/dbraw/zinc/85/25/21/558852521.db2.gz OACFHPBAJZERBO-QHCPKHFHSA-N 1 0 409.574 3.153 50 0 HGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019229304 558853482 /nfs/dbraw/zinc/85/34/82/558853482.db2.gz VKPJUOMFHQUOIV-JOCHJYFZSA-N 1 0 423.557 3.268 50 0 HGAARO C[N@H+](CCCNC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)Cc1ccccc1 ZINC000033071000 558866186 /nfs/dbraw/zinc/86/61/86/558866186.db2.gz NTCLUZFYUKBKBT-UHFFFAOYSA-N 1 0 405.546 3.418 50 0 HGAARO O=C(c1cc2ccccc2oc1=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055073515 558871500 /nfs/dbraw/zinc/87/15/00/558871500.db2.gz XCUANCCFHYIIJT-OAQYLSRUSA-N 1 0 417.509 3.220 50 0 HGAARO Cc1noc([C@@H]2CCCN2Cc2ccccc2OCCCC[NH+]2CCOCC2)n1 ZINC000055405242 558881148 /nfs/dbraw/zinc/88/11/48/558881148.db2.gz FJRGOBCMEIZWAS-FQEVSTJZSA-N 1 0 400.523 3.206 50 0 HGAARO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(CCc2ccccc2)CC1 ZINC000011155241 558893809 /nfs/dbraw/zinc/89/38/09/558893809.db2.gz INTBAQLLQMYIKL-QGZVFWFLSA-N 1 0 415.559 3.006 50 0 HGAARO O=C1N(CCc2ccccc2)CCC[C@]1(O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000071278746 558896485 /nfs/dbraw/zinc/89/64/85/558896485.db2.gz BIHVQGPQYMXOCS-VWLOTQADSA-N 1 0 403.526 3.122 50 0 HGAARO CCCN(CC[NH+](C)C)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC ZINC000058049431 558896678 /nfs/dbraw/zinc/89/66/78/558896678.db2.gz VYAPZBOOLASTRC-UHFFFAOYSA-N 1 0 413.540 3.215 50 0 HGAARO Cc1ccc(NC(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1-n1cnnn1 ZINC000058134106 558900633 /nfs/dbraw/zinc/90/06/33/558900633.db2.gz DCCIOTALCKLVBY-JOCHJYFZSA-N 1 0 419.533 3.175 50 0 HGAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)CC1 ZINC000058218448 558912979 /nfs/dbraw/zinc/91/29/79/558912979.db2.gz LYCDGKCCVFNSNZ-UHFFFAOYSA-N 1 0 406.574 3.007 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)C1 ZINC000004709569 558913690 /nfs/dbraw/zinc/91/36/90/558913690.db2.gz SXSVIGHWCIPZNZ-CALCHBBNSA-N 1 0 416.953 3.048 50 0 HGAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)COc3ccccc3Cl)cc2)C1 ZINC000058326805 558919807 /nfs/dbraw/zinc/91/98/07/558919807.db2.gz HOKAXCTUVWSATM-MRXNPFEDSA-N 1 0 401.894 3.055 50 0 HGAARO C[C@H](CNC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)N(C)c1ccccc1 ZINC000058342770 558920516 /nfs/dbraw/zinc/92/05/16/558920516.db2.gz XNERCRGNSQIRJA-GOSISDBHSA-N 1 0 423.561 3.030 50 0 HGAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000058420989 558925816 /nfs/dbraw/zinc/92/58/16/558925816.db2.gz AJCXIVMPVNOVMF-IBGZPJMESA-N 1 0 410.537 3.400 50 0 HGAARO Cn1ncc2c1ncnc2NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000096524736 558964279 /nfs/dbraw/zinc/96/42/79/558964279.db2.gz JCYHQRSZXJVJAO-UHFFFAOYSA-N 1 0 413.529 3.298 50 0 HGAARO COc1ccc(NC(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c(C)c1 ZINC000065363135 558974112 /nfs/dbraw/zinc/97/41/12/558974112.db2.gz RFOIPPMDNZSCER-UHFFFAOYSA-N 1 0 424.549 3.446 50 0 HGAARO COc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000065364060 558975207 /nfs/dbraw/zinc/97/52/07/558975207.db2.gz OYKTWXVUECGLRF-UHFFFAOYSA-N 1 0 410.522 3.138 50 0 HGAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccc(O)c4)C3)C2=O)c1OC ZINC000072473229 558983601 /nfs/dbraw/zinc/98/36/01/558983601.db2.gz ZGHNUVHHEDNXMJ-XMMPIXPASA-N 1 0 410.514 3.424 50 0 HGAARO O=C(NCc1nc(-c2cccs2)no1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000067613409 558989163 /nfs/dbraw/zinc/98/91/63/558989163.db2.gz NSCRIOSHAIVVCF-UHFFFAOYSA-N 1 0 400.479 3.466 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022456923 558995200 /nfs/dbraw/zinc/99/52/00/558995200.db2.gz WRMKBSBJQCLVBI-VTQYNGMESA-N 1 0 424.585 3.089 50 0 biogenic HGAARO CCn1ccnc1CN1CC[N@H+](CCC(=O)Nc2ccccc2SC)C[C@@H]1C ZINC000072268112 559000039 /nfs/dbraw/zinc/00/00/39/559000039.db2.gz GSOHWYJYLXPOSS-KRWDZBQOSA-N 1 0 401.580 3.160 50 0 HGAARO CCn1c2cc(C)c(C)cc2nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000033269591 559032416 /nfs/dbraw/zinc/03/24/16/559032416.db2.gz GXVPLXDREUDUIW-UHFFFAOYSA-N 1 0 418.541 3.428 50 0 HGAARO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082087904 559036882 /nfs/dbraw/zinc/03/68/82/559036882.db2.gz MVXFUUDKCXSEBL-OAQYLSRUSA-N 1 0 410.562 3.318 50 0 HGAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cc1 ZINC000082155616 559041358 /nfs/dbraw/zinc/04/13/58/559041358.db2.gz YFCGPJQKBUBSJX-QFIPXVFZSA-N 1 0 406.574 3.383 50 0 HGAARO Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)c1 ZINC000092065585 559075398 /nfs/dbraw/zinc/07/53/98/559075398.db2.gz KLDSEUKDVOFQIH-QHCPKHFHSA-N 1 0 406.574 3.383 50 0 HGAARO Cc1nccn1CCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011663724 559134240 /nfs/dbraw/zinc/13/42/40/559134240.db2.gz MHUQKNFPDXBWJR-UHFFFAOYSA-N 1 0 419.529 3.060 50 0 HGAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccc(C(F)(F)F)cc1 ZINC000011697791 559189795 /nfs/dbraw/zinc/18/97/95/559189795.db2.gz AAJBJBARVPMPAO-UHFFFAOYSA-N 1 0 402.380 3.476 50 0 HGAARO CCn1c(=O)cc(SCC(=O)NCC[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000004936723 559211858 /nfs/dbraw/zinc/21/18/58/559211858.db2.gz QMKMRTFVVRXRMG-UHFFFAOYSA-N 1 0 409.555 3.362 50 0 HGAARO COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 ZINC000033635589 559223921 /nfs/dbraw/zinc/22/39/21/559223921.db2.gz PPKBCXDRJPIAHD-WTGUMLROSA-N 1 0 424.884 3.184 50 0 HGAARO Cc1nc(C)c(Cc2ccccc2)c(N2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000033677723 559227976 /nfs/dbraw/zinc/22/79/76/559227976.db2.gz XXXSEIQJRNEGDH-UHFFFAOYSA-N 1 0 416.525 3.412 50 0 HGAARO Cc1oc2c(c1C(=O)NCC[N@H+](Cc1ccco1)C1CCCC1)C1=NCCN1C=N2 ZINC000100695982 559257085 /nfs/dbraw/zinc/25/70/85/559257085.db2.gz YRAAXLJVJFVKTK-UHFFFAOYSA-N 1 0 409.490 3.091 50 0 HGAARO Cc1oc2c(c1C(=O)NCc1ccc(C[NH+]3CCCCCC3)o1)C1=NCCN1C=N2 ZINC000100695997 559257145 /nfs/dbraw/zinc/25/71/45/559257145.db2.gz WKIAFVNKUXRUJV-UHFFFAOYSA-N 1 0 409.490 3.223 50 0 HGAARO Cc1cccc(CN2CCC[C@]3(CC[N@H+](CCC(=O)NCc4ccco4)C3)C2=O)c1 ZINC000426434189 559271420 /nfs/dbraw/zinc/27/14/20/559271420.db2.gz ZSICNUPYCPGDQN-XMMPIXPASA-N 1 0 409.530 3.109 50 0 HGAARO COc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)C3=COCCO3)nc21 ZINC000005256933 560550858 /nfs/dbraw/zinc/55/08/58/560550858.db2.gz WQYSGJYENRTGBN-UHFFFAOYSA-N 1 0 411.911 3.131 50 0 HGAARO Cc1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCCC3)c(C)c1 ZINC000005254396 560551973 /nfs/dbraw/zinc/55/19/73/560551973.db2.gz XAOBLNCBWPSYRW-UHFFFAOYSA-N 1 0 414.575 3.031 50 0 HGAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccccc2)c2c1CCCC2 ZINC000005254353 560552026 /nfs/dbraw/zinc/55/20/26/560552026.db2.gz SKEUHQHOQZIYSH-UHFFFAOYSA-N 1 0 414.575 3.195 50 0 HGAARO COc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000005345587 560569908 /nfs/dbraw/zinc/56/99/08/560569908.db2.gz WNRFZXMNQLNTBW-OAQYLSRUSA-N 1 0 422.481 3.307 50 0 HGAARO COc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000017911717 560730450 /nfs/dbraw/zinc/73/04/50/560730450.db2.gz VCAAZGBPJBNNGV-NRFANRHFSA-N 1 0 420.513 3.456 50 0 HGAARO NC(=O)N[C@H](CC(=O)NCc1ccccc1Cn1ccnc1)c1ccccc1Cl ZINC000024437523 560811135 /nfs/dbraw/zinc/81/11/35/560811135.db2.gz CZVJDAGVHBCYGT-LJQANCHMSA-N 1 0 411.893 3.001 50 0 HGAARO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000104938038 560856972 /nfs/dbraw/zinc/85/69/72/560856972.db2.gz HBNKXLQEHLNBGD-IIBYNOLFSA-N 1 0 415.534 3.473 50 0 HGAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCN(c2cnccn2)C1 ZINC000105663186 560876858 /nfs/dbraw/zinc/87/68/58/560876858.db2.gz KPIAYDSUOSVHKF-UGKGYDQZSA-N 1 0 407.562 3.384 50 0 HGAARO COC(=O)CC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000012049783 560887675 /nfs/dbraw/zinc/88/76/75/560887675.db2.gz WFCXSQVIBRUZLK-GOSISDBHSA-N 1 0 402.535 3.498 50 0 HGAARO CC[NH+](CC)CCN(CC(C)C)C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000047917614 568431494 /nfs/dbraw/zinc/43/14/94/568431494.db2.gz NVUVKCUOBVHVKN-UHFFFAOYSA-N 1 0 404.580 3.153 50 0 HGAARO C[NH+](C)C[C@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[C@@H](O)c1ccccc1 ZINC000048278427 568435768 /nfs/dbraw/zinc/43/57/68/568435768.db2.gz CMJOFTRJPPJZHU-UGKGYDQZSA-N 1 0 411.550 3.105 50 0 HGAARO NC(=O)c1cn(CC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c2ccccc12 ZINC000048285980 568436033 /nfs/dbraw/zinc/43/60/33/568436033.db2.gz BWBXLELUHSBVTQ-OAQYLSRUSA-N 1 0 424.932 3.347 50 0 HGAARO Cc1csc(=O)n1CCC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048310830 568436806 /nfs/dbraw/zinc/43/68/06/568436806.db2.gz DUSBFTNATILSSL-CALCHBBNSA-N 1 0 401.576 3.403 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)C1 ZINC000048310743 568436823 /nfs/dbraw/zinc/43/68/23/568436823.db2.gz ORQHBCOWTMCPRX-KDURUIRLSA-N 1 0 411.590 3.429 50 0 HGAARO CC(=O)N(Cc1ccco1)C1(C(=O)Nc2ccc3c(ccn3C)c2)CC[NH+](C)CC1 ZINC000005807894 568455487 /nfs/dbraw/zinc/45/54/87/568455487.db2.gz ZGEBUPOJVHANEG-UHFFFAOYSA-N 1 0 408.502 3.223 50 0 HGAARO CN(Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1)C[C@@H]1CCC[N@@H+]1C ZINC000019939618 568586007 /nfs/dbraw/zinc/58/60/07/568586007.db2.gz NHXDBAMXTZLTOO-FQEVSTJZSA-N 1 0 422.639 3.173 50 0 HGAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000095430324 568608919 /nfs/dbraw/zinc/60/89/19/568608919.db2.gz GJEDYGZJJYVTSN-IBGZPJMESA-N 1 0 404.514 3.304 50 0 HGAARO C[C@H](Oc1cccc(F)c1)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000095460108 568620032 /nfs/dbraw/zinc/62/00/32/568620032.db2.gz ZUWHBNVNZOKTMX-SFHVURJKSA-N 1 0 400.494 3.427 50 0 HGAARO C[C@@H]([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 ZINC000095469682 568626031 /nfs/dbraw/zinc/62/60/31/568626031.db2.gz VGQSGTPDODSZTL-PHRRHICISA-N 1 0 422.635 3.139 50 0 HGAARO CCOC(=O)c1ccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020890041 568647786 /nfs/dbraw/zinc/64/77/86/568647786.db2.gz FZQLTSWSWWONDL-UHFFFAOYSA-N 1 0 410.518 3.197 50 0 HGAARO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095949538 568665852 /nfs/dbraw/zinc/66/58/52/568665852.db2.gz PFCQTBJQZLDYPM-ZRZAMGCNSA-N 1 0 415.537 3.302 50 0 HGAARO C[C@@H]1CN(Cc2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000229550531 568714578 /nfs/dbraw/zinc/71/45/78/568714578.db2.gz YFRVCXMULMTCAR-REHUZNOOSA-N 1 0 407.558 3.300 50 0 HGAARO CC(C)C(=O)N1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000229892784 568715779 /nfs/dbraw/zinc/71/57/79/568715779.db2.gz WSZFFFSGSCYSLE-VABKMULXSA-N 1 0 411.590 3.394 50 0 HGAARO CCOc1ccc(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)[C@H](C)C(C)C)cc1 ZINC000096280017 568717754 /nfs/dbraw/zinc/71/77/54/568717754.db2.gz GVEXEDMRJYINQV-GOSISDBHSA-N 1 0 416.566 3.411 50 0 HGAARO COc1ccc(C)cc1NC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000021636595 568725402 /nfs/dbraw/zinc/72/54/02/568725402.db2.gz FMJFLUOGBQOIGC-UHFFFAOYSA-N 1 0 411.531 3.321 50 0 HGAARO CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c12 ZINC000096343553 568736891 /nfs/dbraw/zinc/73/68/91/568736891.db2.gz ZGEOFWSOSHNWQY-RTBURBONSA-N 1 0 412.530 3.423 50 0 HGAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022582395 568770777 /nfs/dbraw/zinc/77/07/77/568770777.db2.gz PUPYQSASKOGHAN-OAQYLSRUSA-N 1 0 401.938 3.132 50 0 HGAARO Cc1cc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)c(Cl)cc1Cl ZINC000225564863 568774110 /nfs/dbraw/zinc/77/41/10/568774110.db2.gz KFISWRIFSDBNSV-UHFFFAOYSA-N 1 0 421.390 3.471 50 0 HGAARO Cc1ccc(-c2ccc(=O)n(CCC(=O)NCC[NH+](CC(C)C)CC(C)C)n2)cc1 ZINC000002940993 568819113 /nfs/dbraw/zinc/81/91/13/568819113.db2.gz QZOWGJZHPHNSFM-UHFFFAOYSA-N 1 0 412.578 3.339 50 0 HGAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2cc(C)ccc2NC3=O)c1 ZINC000057129017 568824268 /nfs/dbraw/zinc/82/42/68/568824268.db2.gz ZKYPGKMQMPADBH-MBSHLRGSSA-N 1 0 421.497 3.283 50 0 HGAARO COc1cc(CN2CCN(c3ccccc3O)CC2)c(OC)cc1Br ZINC000057381149 568830549 /nfs/dbraw/zinc/83/05/49/568830549.db2.gz ZQDUGUGEHTXYTR-UHFFFAOYSA-N 1 0 407.308 3.494 50 0 HGAARO CCCC[N@H+](C)CCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003010398 568838109 /nfs/dbraw/zinc/83/81/09/568838109.db2.gz RGUFEWYBOMUQDL-UHFFFAOYSA-N 1 0 424.570 3.439 50 0 HGAARO Cc1sc2nc(C)n(CCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)c2c1C ZINC000230206181 568854987 /nfs/dbraw/zinc/85/49/87/568854987.db2.gz NPIOYZSTVVAYJO-MSOLQXFVSA-N 1 0 416.591 3.154 50 0 biogenic HGAARO O=S(=O)(c1ccc(NCc2ccccc2C[NH+]2CCCC2)nc1)N1CCCC1 ZINC000012567570 568860569 /nfs/dbraw/zinc/86/05/69/568860569.db2.gz CDCOMBFXFSUVPC-UHFFFAOYSA-N 1 0 400.548 3.074 50 0 HGAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 ZINC000012584621 568865804 /nfs/dbraw/zinc/86/58/04/568865804.db2.gz CNKFELGNSXGIRH-UHFFFAOYSA-N 1 0 401.532 3.090 50 0 HGAARO CCC(CC)[C@H](CNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O)[NH+]1CCCC1 ZINC000078413816 568884422 /nfs/dbraw/zinc/88/44/22/568884422.db2.gz WHLDQVWCFXPMSJ-ZHRRBRCNSA-N 1 0 421.607 3.163 50 0 HGAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccc(F)cc3F)c(=O)c3ccccc23)CC1 ZINC000058139064 568890435 /nfs/dbraw/zinc/89/04/35/568890435.db2.gz WNXGHGQTDZRDAE-UHFFFAOYSA-N 1 0 411.452 3.437 50 0 HGAARO COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=S)NCCC[NH+](C)C)CC2 ZINC000003458931 568906710 /nfs/dbraw/zinc/90/67/10/568906710.db2.gz XDOBFRGUWQXCFV-QFIPXVFZSA-N 1 0 413.587 3.478 50 0 HGAARO CCc1ccc(CN(C)C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000012734328 568923534 /nfs/dbraw/zinc/92/35/34/568923534.db2.gz OSYYOIZFXKTDSA-UHFFFAOYSA-N 1 0 409.530 3.264 50 0 HGAARO CCc1ccc([C@@H](CNC(=O)CNC(=O)Cc2cccc3ccccc32)[NH+](C)C)cc1 ZINC000012753410 568941903 /nfs/dbraw/zinc/94/19/03/568941903.db2.gz KXGZIQNCVYBYCS-XMMPIXPASA-N 1 0 417.553 3.480 50 0 HGAARO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCC[NH+](CC)CC ZINC000015681849 568968340 /nfs/dbraw/zinc/96/83/40/568968340.db2.gz GTBYYFLDRGYMLW-UHFFFAOYSA-N 1 0 402.514 3.389 50 0 HGAARO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000015773270 568998608 /nfs/dbraw/zinc/99/86/08/568998608.db2.gz NWNPCUMTJNIHBG-XMMPIXPASA-N 1 0 405.542 3.301 50 0 HGAARO CC(C)[NH+]1CCC(N2CCN(Cc3c[nH]nc3C3CCCCC3)C[C@H]2CCO)CC1 ZINC000104635933 569008122 /nfs/dbraw/zinc/00/81/22/569008122.db2.gz KEXHQTBWYMTNSV-HSZRJFAPSA-N 1 0 417.642 3.199 50 0 HGAARO O=C(CCn1ncc(=O)c2ccccc21)NCc1ccccc1C[NH+]1CCCCC1 ZINC000012905107 569020867 /nfs/dbraw/zinc/02/08/67/569020867.db2.gz WEQSPUUTKUNULT-UHFFFAOYSA-N 1 0 404.514 3.089 50 0 HGAARO Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCC[NH+]3CCCCC3)C2)nn1 ZINC000035398003 569035012 /nfs/dbraw/zinc/03/50/12/569035012.db2.gz SWYRECDFYGAFTD-HXUWFJFHSA-N 1 0 407.562 3.271 50 0 HGAARO Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NCC[NH+]4CCCCC4)C3)nn2)c1 ZINC000035398219 569035086 /nfs/dbraw/zinc/03/50/86/569035086.db2.gz VEGWSYTYUQBMON-OAQYLSRUSA-N 1 0 407.562 3.271 50 0 HGAARO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000035398446 569035143 /nfs/dbraw/zinc/03/51/43/569035143.db2.gz CZLLCGGDMQANIV-UHFFFAOYSA-N 1 0 411.525 3.101 50 0 HGAARO CCOc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000229376149 569040442 /nfs/dbraw/zinc/04/04/42/569040442.db2.gz HPRPVFJLAFAMSV-QZTJIDSGSA-N 1 0 410.518 3.466 50 0 HGAARO CNC(=O)c1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000012984802 569047730 /nfs/dbraw/zinc/04/77/30/569047730.db2.gz SBYQOHUAGNIKES-IBGZPJMESA-N 1 0 414.575 3.380 50 0 HGAARO CCS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462257829 569052867 /nfs/dbraw/zinc/05/28/67/569052867.db2.gz JPYYPXAXVLDHOX-JXFKEZNVSA-N 1 0 401.532 3.122 50 0 HGAARO CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241784843 569054867 /nfs/dbraw/zinc/05/48/67/569054867.db2.gz RXDYZRXTYFRVEF-YADHBBJMSA-N 1 0 422.525 3.301 50 0 HGAARO O=C(NCc1ccco1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000035869746 569063881 /nfs/dbraw/zinc/06/38/81/569063881.db2.gz DMJVILRMVFFLMO-UPVQGACJSA-N 1 0 401.510 3.459 50 0 HGAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000006551946 569065186 /nfs/dbraw/zinc/06/51/86/569065186.db2.gz VZRZWBFGPKVRJF-RBUKOAKNSA-N 1 0 419.591 3.312 50 0 HGAARO CCc1ccc(CN2CCc3c(C(=O)N4CC[N@@H+]5CCC[C@@H]5C4)csc3C2)nc1 ZINC000426428212 569072980 /nfs/dbraw/zinc/07/29/80/569072980.db2.gz CVIAXYSFQGJOEG-LJQANCHMSA-N 1 0 410.587 3.184 50 0 HGAARO CN(C)C(=O)c1cncc(N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)n1 ZINC000426604504 569073615 /nfs/dbraw/zinc/07/36/15/569073615.db2.gz 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CCC[NH+](CCC)CCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000006840495 569150974 /nfs/dbraw/zinc/15/09/74/569150974.db2.gz SPUSDSDPGQENOK-UHFFFAOYSA-N 1 0 404.580 3.345 50 0 HGAARO O=C(NCC[NH+]1CCCCCC1)C1CCN(c2ncc(-c3ccccc3)cn2)CC1 ZINC000065023948 569155262 /nfs/dbraw/zinc/15/52/62/569155262.db2.gz GYISADWIFJTWTI-UHFFFAOYSA-N 1 0 407.562 3.352 50 0 HGAARO COc1ccc([C@H](CNC(=O)C[C@@H](NC(C)=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000006865331 569158880 /nfs/dbraw/zinc/15/88/80/569158880.db2.gz FPJJLJLUEXHXEQ-PKTZIBPZSA-N 1 0 409.530 3.216 50 0 HGAARO Cc1nc(CSCC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000036395372 569168798 /nfs/dbraw/zinc/16/87/98/569168798.db2.gz AVMGGSIWONBAKK-UHFFFAOYSA-N 1 0 404.605 3.013 50 0 HGAARO CC1=C(C(=O)NCCCN2CCC([NH+]3CCCCC3)CC2)C2(CCCCC2)OC1=O ZINC000006932971 569184543 /nfs/dbraw/zinc/18/45/43/569184543.db2.gz MYXOGYAWKXHBHN-UHFFFAOYSA-N 1 0 417.594 3.019 50 0 biogenic HGAARO Cc1ccc(-c2nnc(N3CCC(C(=O)NCC[N@H+]4CCCC[C@H]4C)CC3)o2)cc1 ZINC000065229624 569200527 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HGAARO COc1cccc([C@@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)[NH+](C)C)c1 ZINC000037151265 569239148 /nfs/dbraw/zinc/23/91/48/569239148.db2.gz BVASWPVWHACQAF-QGZVFWFLSA-N 1 0 400.504 3.158 50 0 HGAARO CO[C@H](C)CC(=O)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000170609428 569245065 /nfs/dbraw/zinc/24/50/65/569245065.db2.gz VEHMTRIOULAXFN-CQSZACIVSA-N 1 0 400.313 3.261 50 0 HGAARO C[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)c3nonc32)CC1 ZINC000013328475 569254994 /nfs/dbraw/zinc/25/49/94/569254994.db2.gz AUSKVRDDAOLGQR-UHFFFAOYSA-N 1 0 404.833 3.411 50 0 HGAARO C[C@H](SC1=N[C@@H](c2c[nH]c3ccccc32)NC(=[NH2+])N1)C(=O)N1CCc2ccccc21 ZINC000013579103 569256358 /nfs/dbraw/zinc/25/63/58/569256358.db2.gz MNGDBVFBOPWMRL-DJJJIMSYSA-N 1 0 418.526 3.151 50 0 HGAARO O[C@H](COCc1cccs1)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000089774529 569263788 /nfs/dbraw/zinc/26/37/88/569263788.db2.gz KRLFBOVKRHFLTK-SOLBZPMBSA-N 1 0 401.450 3.452 50 0 HGAARO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002102026 569277813 /nfs/dbraw/zinc/27/78/13/569277813.db2.gz GQWCDWWREXSFDW-GJLHXFCQSA-N 1 0 416.606 3.222 50 0 HGAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21)Cc1ccccc1 ZINC000037416025 569298235 /nfs/dbraw/zinc/29/82/35/569298235.db2.gz LMSMFUWRRRGJAP-QFIPXVFZSA-N 1 0 406.530 3.250 50 0 HGAARO C[NH+](C)CCn1ncc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1-c1ccccc1 ZINC000253430837 569368894 /nfs/dbraw/zinc/36/88/94/569368894.db2.gz GABYWKLUUDKTCU-QFIPXVFZSA-N 1 0 420.513 3.031 50 0 HGAARO Cc1ccccc1-c1nnc(SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000019316924 569416367 /nfs/dbraw/zinc/41/63/67/569416367.db2.gz ZPMIWKSCESBFNY-LJQANCHMSA-N 1 0 421.570 3.273 50 0 HGAARO CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1 ZINC000019891730 569433221 /nfs/dbraw/zinc/43/32/21/569433221.db2.gz HENAKKLFJXLKOJ-INIZCTEOSA-N 1 0 402.336 3.165 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1sccc1NC(=O)c1cnccn1 ZINC000067335679 571079762 /nfs/dbraw/zinc/07/97/62/571079762.db2.gz SJKRDHSTRRSHIB-UHFFFAOYSA-N 1 0 421.526 3.185 50 0 HGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000008748401 571111503 /nfs/dbraw/zinc/11/15/03/571111503.db2.gz DUTGNIFFJWTTDD-JOCHJYFZSA-N 1 0 411.509 3.484 50 0 HGAARO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000039996847 571137328 /nfs/dbraw/zinc/13/73/28/571137328.db2.gz XJVQGHZDISHWOH-JOCHJYFZSA-N 1 0 411.546 3.102 50 0 HGAARO COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000040018038 571139124 /nfs/dbraw/zinc/13/91/24/571139124.db2.gz ZATLQMOVZNBWCC-ICSRJNTNSA-N 1 0 409.530 3.093 50 0 HGAARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008892894 571142824 /nfs/dbraw/zinc/14/28/24/571142824.db2.gz QJSRPIMQHRMRPF-IBGZPJMESA-N 1 0 401.532 3.429 50 0 HGAARO C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000040068009 571148616 /nfs/dbraw/zinc/14/86/16/571148616.db2.gz DUTYGXGZYPVEPZ-GOSISDBHSA-N 1 0 404.518 3.028 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2cnn3c2nc(C)cc3C)[NH+]2CCCCC2)cc1 ZINC000040068944 571149229 /nfs/dbraw/zinc/14/92/29/571149229.db2.gz UYHRGXJAIBWWKC-OAQYLSRUSA-N 1 0 407.518 3.312 50 0 HGAARO C[NH+](C)C[C@@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@H](O)c1ccccc1 ZINC000040104954 571165657 /nfs/dbraw/zinc/16/56/57/571165657.db2.gz GWZYOBTUZIUZIP-AUSIDOKSSA-N 1 0 424.545 3.236 50 0 HGAARO CC(C)[C@@H](CNC(=O)Cc1cc2ccccc2[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000040108713 571167984 /nfs/dbraw/zinc/16/79/84/571167984.db2.gz WEJQGGKTVFFGTQ-HSZRJFAPSA-N 1 0 403.526 3.270 50 0 HGAARO Cc1ccn2c(c1)ncc(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c2=O ZINC000040112387 571170537 /nfs/dbraw/zinc/17/05/37/571170537.db2.gz MTMVIXWUJMOLRX-GOSISDBHSA-N 1 0 404.514 3.307 50 0 HGAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(Br)o3)cc2)CC1 ZINC000040115679 571173449 /nfs/dbraw/zinc/17/34/49/571173449.db2.gz ZPDVLHWLJAJNAJ-UHFFFAOYSA-N 1 0 406.324 3.110 50 0 HGAARO O=C(NC1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1)c1ccccc1 ZINC000040150368 571198796 /nfs/dbraw/zinc/19/87/96/571198796.db2.gz XGDOUXAGZDACTA-UHFFFAOYSA-N 1 0 405.542 3.320 50 0 HGAARO FC(F)(F)c1cccc(N2CCN(C3CC[NH+]([C@@H]4CCSC4)CC3)CC2)n1 ZINC000245093424 571213301 /nfs/dbraw/zinc/21/33/01/571213301.db2.gz RMYDTXNFBGDQSL-MRXNPFEDSA-N 1 0 400.514 3.192 50 0 HGAARO CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)c2)C1 ZINC000245238067 571219589 /nfs/dbraw/zinc/21/95/89/571219589.db2.gz PEOVBAMEGAMIDK-WIYYLYMNSA-N 1 0 400.567 3.200 50 0 HGAARO Cc1cccc(-n2c(CC(=O)NCC[N@H+]3CCCC[C@H]3C)c3[nH]cccc-3c2=O)c1 ZINC000245279454 571222261 /nfs/dbraw/zinc/22/22/61/571222261.db2.gz FQVWUWPKZYEKMO-WIYYLYMNSA-N 1 0 406.530 3.472 50 0 HGAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000069929038 571250037 /nfs/dbraw/zinc/25/00/37/571250037.db2.gz QFUNEIXGZALZOI-NQIIRXRSSA-N 1 0 404.518 3.072 50 0 HGAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(NC(=O)C2=CSCCO2)cc1 ZINC000009738048 571283121 /nfs/dbraw/zinc/28/31/21/571283121.db2.gz RADMKSLZSIGBGQ-UHFFFAOYSA-N 1 0 403.548 3.226 50 0 HGAARO Cc1ccc(-c2csc3ncn(CC(=O)NCCC[NH+]4CCCCC4)c(=O)c23)cc1 ZINC000010086813 571294879 /nfs/dbraw/zinc/29/48/79/571294879.db2.gz AUELWMPPZDPQPD-UHFFFAOYSA-N 1 0 424.570 3.426 50 0 HGAARO CSc1ccccc1NC(=O)C(=O)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077104293 571311665 /nfs/dbraw/zinc/31/16/65/571311665.db2.gz NCWHUWNLYVBXRI-UHFFFAOYSA-N 1 0 403.573 3.404 50 0 HGAARO O=C(Cc1ccc(F)cc1)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000077200554 571313042 /nfs/dbraw/zinc/31/30/42/571313042.db2.gz GYZPLNSFUUVVLJ-UHFFFAOYSA-N 1 0 405.477 3.119 50 0 HGAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CC(C)C)C(=O)C1CC1 ZINC000034834356 571316647 /nfs/dbraw/zinc/31/66/47/571316647.db2.gz IQMYNQUUBJMQBL-UHFFFAOYSA-N 1 0 409.578 3.327 50 0 HGAARO CC[NH+](CC)CCNC(=O)CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21 ZINC000003057069 132262220 /nfs/dbraw/zinc/26/22/20/132262220.db2.gz YOLDFYBTKVIWCZ-RCCKNPSSSA-N 1 0 411.477 3.050 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCC(=O)N2CCSc3ccccc32)C1 ZINC000006750750 132314880 /nfs/dbraw/zinc/31/48/80/132314880.db2.gz IVEKUGRBNBVFPV-QZTJIDSGSA-N 1 0 403.592 3.390 50 0 HGAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@@H+](C)Cc1ccccc1)CCO2 ZINC000006798169 132317145 /nfs/dbraw/zinc/31/71/45/132317145.db2.gz IVABEDKSPPNMPM-UHFFFAOYSA-N 1 0 409.530 3.139 50 0 HGAARO O=C(CCCN1C(=O)CSc2ncccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006802678 132317535 /nfs/dbraw/zinc/31/75/35/132317535.db2.gz QYKMXLVOQOYFRQ-UHFFFAOYSA-N 1 0 424.570 3.081 50 0 HGAARO O=C(CCC1CC[NH+](CCCn2cccn2)CC1)N1CCN(c2ccccc2)CC1 ZINC000012307420 132358315 /nfs/dbraw/zinc/35/83/15/132358315.db2.gz MLVLNIPIRBFMHI-UHFFFAOYSA-N 1 0 409.578 3.114 50 0 HGAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012732599 132366282 /nfs/dbraw/zinc/36/62/82/132366282.db2.gz IXOJCRZDOURNRY-LJQANCHMSA-N 1 0 421.419 3.236 50 0 HGAARO CC(C)NS(=O)(=O)c1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000032869715 519733299 /nfs/dbraw/zinc/73/32/99/519733299.db2.gz IMOQSYDTZHDOIW-UHFFFAOYSA-N 1 0 422.982 3.134 50 0 HGAARO CCN(CC)c1nnc(-n2cccc2C[NH2+]Cc2cc(OC)ccc2OC)s1 ZINC000020576674 520935947 /nfs/dbraw/zinc/93/59/47/520935947.db2.gz ODISQGRWYGJDRA-UHFFFAOYSA-N 1 0 401.536 3.482 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000032905791 522024506 /nfs/dbraw/zinc/02/45/06/522024506.db2.gz QMSKBUFPPKUFPX-SFHVURJKSA-N 1 0 410.449 3.020 50 0 HGAARO CC[C@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032446978 522174626 /nfs/dbraw/zinc/17/46/26/522174626.db2.gz RYFKJFPKRQPHLX-OAQYLSRUSA-N 1 0 421.541 3.145 50 0 HGAARO COC(=O)c1cccc(S(=O)(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000032771346 522248008 /nfs/dbraw/zinc/24/80/08/522248008.db2.gz ZCKRAPVAAFORHW-UHFFFAOYSA-N 1 0 416.543 3.184 50 0 HGAARO CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)Cc1c(F)cccc1Cl ZINC000032751419 522475292 /nfs/dbraw/zinc/47/52/92/522475292.db2.gz VSKOIIBQAQHAQW-UHFFFAOYSA-N 1 0 411.949 3.062 50 0 HGAARO C[N@H+](CCCNC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000032765973 522759762 /nfs/dbraw/zinc/75/97/62/522759762.db2.gz DCROPYHRIPZRNY-IBGZPJMESA-N 1 0 402.926 3.078 50 0 HGAARO COc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000032675927 522818017 /nfs/dbraw/zinc/81/80/17/522818017.db2.gz FSSGAWAEHITPTF-BJMVGYQFSA-N 1 0 411.502 3.116 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1ncc2ccccc2c1=O ZINC000032930758 524114374 /nfs/dbraw/zinc/11/43/74/524114374.db2.gz VSDPFXCDPOVPLZ-GOSISDBHSA-N 1 0 404.514 3.087 50 0 HGAARO C[C@@H](CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000045966744 524578992 /nfs/dbraw/zinc/57/89/92/524578992.db2.gz USWJSMZFODYCAA-SFHVURJKSA-N 1 0 413.949 3.408 50 0 HGAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C[C@@H](C)O2 ZINC000020466101 526166904 /nfs/dbraw/zinc/16/69/04/526166904.db2.gz CJWXNQKTDINBEM-VAMGGRTRSA-N 1 0 415.578 3.373 50 0 HGAARO O=C(NCC[NH+]1CCCC1)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355920 526305050 /nfs/dbraw/zinc/30/50/50/526305050.db2.gz BFKIECNPVRUIQA-UHFFFAOYSA-N 1 0 412.437 3.240 50 0 HGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032873758 526923423 /nfs/dbraw/zinc/92/34/23/526923423.db2.gz SQLQDFGOPBPPBE-RBBKRZOGSA-N 1 0 409.505 3.069 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCC(=O)N2C[C@@H](C)Oc3ccccc32)C1 ZINC000015942051 557015943 /nfs/dbraw/zinc/01/59/43/557015943.db2.gz RKRQHGNWAYNPFJ-GUDVDZBRSA-N 1 0 401.551 3.065 50 0 HGAARO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000034830312 557465959 /nfs/dbraw/zinc/46/59/59/557465959.db2.gz NHZCYZIPAKKYQU-HTAPYJJXSA-N 1 0 411.571 3.083 50 0 HGAARO C[NH+](C)C1CCN(C(=O)c2nc(CCc3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000034911668 557476319 /nfs/dbraw/zinc/47/63/19/557476319.db2.gz VGRJRSPGYHYXJM-UHFFFAOYSA-N 1 0 403.530 3.219 50 0 HGAARO Cc1ccccc1-n1nc(C(=O)N2CCC[N@@H+](C)CC2)nc1CCc1ccccc1 ZINC000034911938 557478359 /nfs/dbraw/zinc/47/83/59/557478359.db2.gz NHJKVZYIJQYYKO-UHFFFAOYSA-N 1 0 403.530 3.139 50 0 HGAARO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCC(=O)NC(C)(C)C ZINC000008254435 557778474 /nfs/dbraw/zinc/77/84/74/557778474.db2.gz JZMSRWCKENKWCT-UHFFFAOYSA-N 1 0 414.502 3.397 50 0 HGAARO CCn1c(C)cc(O)c([C@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697237 557783976 /nfs/dbraw/zinc/78/39/76/557783976.db2.gz OPYHHWCOGQWUAV-DEOSSOPVSA-N 1 0 418.541 3.497 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000022794397 557822029 /nfs/dbraw/zinc/82/20/29/557822029.db2.gz BQKLGSFHAHUAOF-IBGZPJMESA-N 1 0 405.901 3.206 50 0 HGAARO Cc1ccc([C@H](CNC(=O)c2ccccc2Br)N2CC[NH+](C)CC2)cc1 ZINC000022794921 557822347 /nfs/dbraw/zinc/82/23/47/557822347.db2.gz IAWOSJOBWVJLKG-FQEVSTJZSA-N 1 0 416.363 3.476 50 0 HGAARO O=C(CCC1CC[NH+](Cc2cc(F)ccc2-n2cccn2)CC1)NC[C@H]1CCCO1 ZINC000011662233 558265872 /nfs/dbraw/zinc/26/58/72/558265872.db2.gz RJRUVRPUNSSVMX-OAQYLSRUSA-N 1 0 414.525 3.299 50 0 HGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000011763040 558273651 /nfs/dbraw/zinc/27/36/51/558273651.db2.gz ZYKDWGBQVYZCJV-GOSISDBHSA-N 1 0 404.470 3.452 50 0 HGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc2ncccn2n1 ZINC000011813138 558277654 /nfs/dbraw/zinc/27/76/54/558277654.db2.gz DGBVGTAJULVXNW-SFHVURJKSA-N 1 0 411.937 3.409 50 0 HGAARO O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011812747 558277768 /nfs/dbraw/zinc/27/77/68/558277768.db2.gz FBRJCAPTTZBUNR-JOCHJYFZSA-N 1 0 405.542 3.246 50 0 HGAARO Cc1nnc(SCC(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)s1 ZINC000011817107 558280449 /nfs/dbraw/zinc/28/04/49/558280449.db2.gz PLMPLYWZHZISJP-SFHVURJKSA-N 1 0 404.605 3.494 50 0 HGAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccccc2OCCO)C1 ZINC000011817856 558281196 /nfs/dbraw/zinc/28/11/96/558281196.db2.gz QQABBQIJPJJSTC-NRFANRHFSA-N 1 0 412.574 3.453 50 0 HGAARO Cc1cc(=O)c(C(=O)N2CCC[C@H](C)C2)c(CCc2ccccc2)n1CC[NH+](C)C ZINC000011881295 558295093 /nfs/dbraw/zinc/29/50/93/558295093.db2.gz NTUQTLPJWBJFSC-IBGZPJMESA-N 1 0 409.574 3.376 50 0 HGAARO CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC1)=CC2 ZINC000011974836 558305587 /nfs/dbraw/zinc/30/55/87/558305587.db2.gz MCTKULCGGMFTRV-ICSRJNTNSA-N 1 0 423.536 3.198 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C(C)C ZINC000012021366 558309402 /nfs/dbraw/zinc/30/94/02/558309402.db2.gz JMKIPCJLHUDXNZ-MRXNPFEDSA-N 1 0 408.506 3.260 50 0 HGAARO Cc1ccc(-c2ccnc(-n3ncc(C(=O)N(C)CCC[NH+](C)C)c3C3CC3)n2)o1 ZINC000012097612 558325372 /nfs/dbraw/zinc/32/53/72/558325372.db2.gz XJJJJGSTBQJXGI-UHFFFAOYSA-N 1 0 408.506 3.132 50 0 HGAARO CC[C@H](C)C[NH+]1CCC([C@]2(CC)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 ZINC000012131201 558332814 /nfs/dbraw/zinc/33/28/14/558332814.db2.gz SKFFJQFDZQZXBW-HJPURHCSSA-N 1 0 415.534 3.374 50 0 HGAARO O=C1CC[C@H](CC[NH2+]CCOc2ccccc2)N1Cc1ccc(-n2cccn2)cc1 ZINC000012149233 558338582 /nfs/dbraw/zinc/33/85/82/558338582.db2.gz WTSGXVDMMGJVIY-OAQYLSRUSA-N 1 0 404.514 3.422 50 0 HGAARO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCc3nc4ccccc4n3C)CC2)o1 ZINC000012241485 558360416 /nfs/dbraw/zinc/36/04/16/558360416.db2.gz QLGUUMMOBRBBTR-LJQANCHMSA-N 1 0 406.530 3.436 50 0 HGAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020455183 558368967 /nfs/dbraw/zinc/36/89/67/558368967.db2.gz VVISKCLLOHHJGG-QHCPKHFHSA-N 1 0 406.574 3.418 50 0 HGAARO CCc1nc(C)c(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)[nH]1 ZINC000012302814 558372368 /nfs/dbraw/zinc/37/23/68/558372368.db2.gz UDPKRTZEUOISGE-UHFFFAOYSA-N 1 0 406.534 3.495 50 0 HGAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1 ZINC000012303172 558372807 /nfs/dbraw/zinc/37/28/07/558372807.db2.gz BBHTUDXLPVGXQX-UHFFFAOYSA-N 1 0 424.936 3.111 50 0 HGAARO Cn1cc(C[NH+]2CCC([C@@H](O)c3cccnc3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012308138 558376447 /nfs/dbraw/zinc/37/64/47/558376447.db2.gz ZHGQKQQNXBEIMQ-XMMPIXPASA-N 1 0 420.513 3.199 50 0 HGAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)Cc4cccnc4)C3)C2)c1OC ZINC000012434558 558408305 /nfs/dbraw/zinc/40/83/05/558408305.db2.gz VTSLKVUVEHDOGS-DEOSSOPVSA-N 1 0 409.530 3.156 50 0 HGAARO CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(COc4ccc(OC)cc4Cl)on3)C2)C1 ZINC000020782457 558413181 /nfs/dbraw/zinc/41/31/81/558413181.db2.gz WFKGSRXNBDAVLQ-OAQYLSRUSA-N 1 0 419.909 3.474 50 0 HGAARO COc1ccc(CN2CC[N@H+](Cc3cccc4ncccc34)C[C@@H]2CCO)c(F)c1 ZINC000020918922 558423488 /nfs/dbraw/zinc/42/34/88/558423488.db2.gz YCIZPUQTUOGMNB-FQEVSTJZSA-N 1 0 409.505 3.451 50 0 HGAARO COCc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)o1 ZINC000012480083 558423499 /nfs/dbraw/zinc/42/34/99/558423499.db2.gz RMBWUOXJLHEIHR-GOSISDBHSA-N 1 0 416.518 3.222 50 0 HGAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)CC1 ZINC000020998814 558427970 /nfs/dbraw/zinc/42/79/70/558427970.db2.gz GMITWXVQCDFGJM-HXUWFJFHSA-N 1 0 418.557 3.033 50 0 HGAARO CC(=O)c1ccc(OCC(=O)N(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012587290 558434408 /nfs/dbraw/zinc/43/44/08/558434408.db2.gz MQEGRJPBVVGYOE-QFIPXVFZSA-N 1 0 406.526 3.358 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012591531 558435929 /nfs/dbraw/zinc/43/59/29/558435929.db2.gz CMYAXGBHKMLWBL-UHFFFAOYSA-N 1 0 416.493 3.254 50 0 HGAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](Cc2ccccc2OCCO)CC1 ZINC000012595490 558437374 /nfs/dbraw/zinc/43/73/74/558437374.db2.gz FFACSAHFPIYQKD-UHFFFAOYSA-N 1 0 400.523 3.076 50 0 HGAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+](C)C)cc1 ZINC000021807545 558450763 /nfs/dbraw/zinc/45/07/63/558450763.db2.gz RBZJLJGCAVNTJA-LJQANCHMSA-N 1 0 407.470 3.454 50 0 HGAARO CN(C(=O)CC[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000012710777 558452257 /nfs/dbraw/zinc/45/22/57/558452257.db2.gz RXMDRLOBUCRCDQ-HXUWFJFHSA-N 1 0 415.578 3.027 50 0 HGAARO COc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCN2CCOCC2)c1 ZINC000022025344 558458756 /nfs/dbraw/zinc/45/87/56/558458756.db2.gz JBGFFBNVIJIOGH-UHFFFAOYSA-N 1 0 406.530 3.029 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1 ZINC000012981011 558493350 /nfs/dbraw/zinc/49/33/50/558493350.db2.gz UVAAEBLVSTTZSL-SFHVURJKSA-N 1 0 403.523 3.159 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(OC)c2)cc1 ZINC000013058859 558509402 /nfs/dbraw/zinc/50/94/02/558509402.db2.gz SIHXYQBZLOGAHU-INIZCTEOSA-N 1 0 419.547 3.015 50 0 HGAARO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022802928 558513182 /nfs/dbraw/zinc/51/31/82/558513182.db2.gz PEJQQWSGFYYBAL-OFNKIYASSA-N 1 0 407.558 3.077 50 0 HGAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]CCN1CCCCC1 ZINC000022918403 558522133 /nfs/dbraw/zinc/52/21/33/558522133.db2.gz MISWEQSMSSCYJI-UHFFFAOYSA-N 1 0 405.546 3.182 50 0 HGAARO COc1cc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc(OC)c1OC ZINC000022919699 558522518 /nfs/dbraw/zinc/52/25/18/558522518.db2.gz FJMWVTHKRMVVLX-NRFANRHFSA-N 1 0 414.546 3.090 50 0 HGAARO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000022930458 558524239 /nfs/dbraw/zinc/52/42/39/558524239.db2.gz QZHALJMTSGDTLW-INIZCTEOSA-N 1 0 411.493 3.240 50 0 HGAARO O=C1C[C@@H](N2CC[NH+](CCCc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000022972160 558528514 /nfs/dbraw/zinc/52/85/14/558528514.db2.gz DISGQYQXKDBPIV-OAQYLSRUSA-N 1 0 411.933 3.222 50 0 HGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3cnc(SC)nc3)C2)cc1OC ZINC000023360920 558552076 /nfs/dbraw/zinc/55/20/76/558552076.db2.gz GMOFKHYKGKAIBL-LJQANCHMSA-N 1 0 416.591 3.355 50 0 HGAARO COc1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)cc1O ZINC000023374289 558554106 /nfs/dbraw/zinc/55/41/06/558554106.db2.gz VIPLJIXTOPZJKT-FQEVSTJZSA-N 1 0 411.546 3.196 50 0 HGAARO CCCn1nc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c2ccccc2c1=O ZINC000023554679 558562198 /nfs/dbraw/zinc/56/21/98/558562198.db2.gz VJQBEARVPCWGRE-SFHVURJKSA-N 1 0 410.543 3.435 50 0 HGAARO O=S(=O)(c1ccc(NCc2ccccc2C[NH+]2CCCCC2)nc1)N1CCCC1 ZINC000023818303 558576818 /nfs/dbraw/zinc/57/68/18/558576818.db2.gz RJXSNZAUUIVFGT-UHFFFAOYSA-N 1 0 414.575 3.464 50 0 HGAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1CCN(C(=O)c2ccco2)CC1 ZINC000014180999 558628225 /nfs/dbraw/zinc/62/82/25/558628225.db2.gz MDWVSIJIWORHCN-UHFFFAOYSA-N 1 0 401.551 3.437 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccsc1 ZINC000025329807 558638457 /nfs/dbraw/zinc/63/84/57/558638457.db2.gz GYTGHWJNCVUPAX-HXUWFJFHSA-N 1 0 418.522 3.480 50 0 HGAARO COc1ccc(CN2C[C@H](C(=O)NCC(C)C)C[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000014534917 558657788 /nfs/dbraw/zinc/65/77/88/558657788.db2.gz QHYHGEOVEVZENV-NHCUHLMSSA-N 1 0 417.594 3.010 50 0 HGAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000014535037 558657845 /nfs/dbraw/zinc/65/78/45/558657845.db2.gz OGNPFZKYVIDXEQ-NRFANRHFSA-N 1 0 418.516 3.405 50 0 HGAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+](C(C)C)CC3)cc1 ZINC000014535806 558658018 /nfs/dbraw/zinc/65/80/18/558658018.db2.gz HUFQXSHMKKYGDN-UHFFFAOYSA-N 1 0 401.551 3.401 50 0 HGAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([NH2+]Cc1cccs1)C2 ZINC000014541448 558660089 /nfs/dbraw/zinc/66/00/89/558660089.db2.gz XATQGKDYZLZIDZ-GOSISDBHSA-N 1 0 406.555 3.327 50 0 HGAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC000014732928 558665993 /nfs/dbraw/zinc/66/59/93/558665993.db2.gz XDNJEJNGNXRKEN-GOSISDBHSA-N 1 0 424.545 3.295 50 0 HGAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+]([C@@H](C)CSC)CC2 ZINC000014753331 558671341 /nfs/dbraw/zinc/67/13/41/558671341.db2.gz DZIXTBQOSKUTDQ-INIZCTEOSA-N 1 0 405.564 3.065 50 0 HGAARO COc1cccc([C@H](CNC(=O)c2ccc3c(c2)CCN3C(C)=O)[NH+]2CCCC2)c1 ZINC000027342258 558671997 /nfs/dbraw/zinc/67/19/97/558671997.db2.gz DUCKEYLTFWCLCI-QHCPKHFHSA-N 1 0 407.514 3.171 50 0 HGAARO Cc1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000027662234 558678277 /nfs/dbraw/zinc/67/82/77/558678277.db2.gz UYQZVFNPIRFJIS-OAQYLSRUSA-N 1 0 401.938 3.132 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCCC[C@@H]2CO)c1 ZINC000014948791 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CC(C)OCCS(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000072307504 558767638 /nfs/dbraw/zinc/76/76/38/558767638.db2.gz PQQNLBPLPJYMHW-UHFFFAOYSA-N 1 0 402.560 3.148 50 0 HGAARO Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]C4CCCCC4)cc3)cc2n(C)c1=O ZINC000016363900 558788420 /nfs/dbraw/zinc/78/84/20/558788420.db2.gz GPPXMIQGKGMCDQ-HSZRJFAPSA-N 1 0 409.530 3.412 50 0 HGAARO COc1ccc2c(c1)C=C(CN1CC[N@H+](CC3CCCCC3)[C@H](CCO)C1)CO2 ZINC000039510520 558821899 /nfs/dbraw/zinc/82/18/99/558821899.db2.gz IIMSVDZEPGIUPE-JOCHJYFZSA-N 1 0 400.563 3.420 50 0 HGAARO Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+](C)C3CCCCC3)c2)s1 ZINC000033022640 558838044 /nfs/dbraw/zinc/83/80/44/558838044.db2.gz RKRJUPONRDWSTJ-UHFFFAOYSA-N 1 0 415.563 3.483 50 0 HGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2OC)C1 ZINC000046030433 558839353 /nfs/dbraw/zinc/83/93/53/558839353.db2.gz VOVOVZUFWRNSMP-MRXNPFEDSA-N 1 0 400.523 3.174 50 0 HGAARO CCOC(=O)C1(C[C@H]2CCCCO2)CC[NH+](Cc2cccn2-c2ncccn2)CC1 ZINC000019145220 558846560 /nfs/dbraw/zinc/84/65/60/558846560.db2.gz WOQFRGKDSINTRH-HXUWFJFHSA-N 1 0 412.534 3.372 50 0 HGAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)Nc2ccc3ccccc3c2)[nH+]1 ZINC000049422545 558849026 /nfs/dbraw/zinc/84/90/26/558849026.db2.gz DCVJBTHNQUVWKX-UHFFFAOYSA-N 1 0 406.490 3.008 50 0 HGAARO Cc1cccn2c(CN3CC[C@@H]([NH+](C)C)C3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019225956 558852651 /nfs/dbraw/zinc/85/26/51/558852651.db2.gz IWYNGTDZPPGJON-OAQYLSRUSA-N 1 0 419.573 3.093 50 0 HGAARO COc1cccc(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)[C@H](C)C(C)C)c1 ZINC000036065591 558854000 /nfs/dbraw/zinc/85/40/00/558854000.db2.gz SEIAXYXEMQCUIW-QGZVFWFLSA-N 1 0 402.539 3.021 50 0 HGAARO Cc1ccc(C)c(OCCC(=O)OCC(=O)N[C@H](c2nccn2C)c2ccccc2)c1 ZINC000022201844 558865333 /nfs/dbraw/zinc/86/53/33/558865333.db2.gz LTMSDULTACNEQX-QHCPKHFHSA-N 1 0 421.497 3.255 50 0 HGAARO Cc1cccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)n1 ZINC000019300263 558866144 /nfs/dbraw/zinc/86/61/44/558866144.db2.gz QRNPODXUUVTTFS-LJQANCHMSA-N 1 0 422.533 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ZINC000004706145 558912720 /nfs/dbraw/zinc/91/27/20/558912720.db2.gz MYGWHAFGLKCPJC-QFIPXVFZSA-N 1 0 411.590 3.239 50 0 HGAARO CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)c1C ZINC000058344938 558921141 /nfs/dbraw/zinc/92/11/41/558921141.db2.gz NGKRZSJVLWQIOY-WOJBJXKFSA-N 1 0 411.506 3.106 50 0 HGAARO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3CSCCSC3)C2)CC1 ZINC000019595243 558946179 /nfs/dbraw/zinc/94/61/79/558946179.db2.gz MZPUUJJAWPNVAV-SFHVURJKSA-N 1 0 407.649 3.130 50 0 HGAARO Cc1ccc(NC(=O)c2nnc(CCC(=O)NCC[NH+]3CCCCCC3)s2)cc1 ZINC000033062066 558955857 /nfs/dbraw/zinc/95/58/57/558955857.db2.gz GPPQSXMAVBEKJL-UHFFFAOYSA-N 1 0 415.563 3.024 50 0 HGAARO O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCC[NH+]1CCCCC1 ZINC000021915728 558971943 /nfs/dbraw/zinc/97/19/43/558971943.db2.gz AQUFTYABOULNKI-UHFFFAOYSA-N 1 0 406.486 3.385 50 0 HGAARO Cc1cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000072441611 558981786 /nfs/dbraw/zinc/98/17/86/558981786.db2.gz NVXUULYQMYEAKP-UHFFFAOYSA-N 1 0 413.953 3.320 50 0 HGAARO COc1cc(CNCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc2c1OCCO2 ZINC000097002585 558987593 /nfs/dbraw/zinc/98/75/93/558987593.db2.gz DSWFZCRDDVWXDO-SFHVURJKSA-N 1 0 412.530 3.456 50 0 HGAARO COc1ccc(NC(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)c(C)c1 ZINC000067603618 558987994 /nfs/dbraw/zinc/98/79/94/558987994.db2.gz YCYZSZNYSVNUHS-UHFFFAOYSA-N 1 0 419.489 3.286 50 0 HGAARO COc1ccc(C)cc1NC(=O)N1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)CC1 ZINC000067612176 558988700 /nfs/dbraw/zinc/98/87/00/558988700.db2.gz UNNBOZFOYIPKEZ-UHFFFAOYSA-N 1 0 424.549 3.446 50 0 HGAARO O=C(Nc1cc(F)cc(F)c1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000067622740 558990033 /nfs/dbraw/zinc/99/00/33/558990033.db2.gz VSNKIEPMBKXZHF-UHFFFAOYSA-N 1 0 411.416 3.248 50 0 HGAARO CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CC[N@H+](C)C(C)(C)C3)nc2)C1 ZINC000067947762 558994899 /nfs/dbraw/zinc/99/48/99/558994899.db2.gz BHTWQSPJLJEGQZ-IBGZPJMESA-N 1 0 400.567 3.079 50 0 HGAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)c1 ZINC000076961929 558998817 /nfs/dbraw/zinc/99/88/17/558998817.db2.gz CLXYIZDFZJWMIQ-UHFFFAOYSA-N 1 0 406.574 3.383 50 0 HGAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000077351997 559001960 /nfs/dbraw/zinc/00/19/60/559001960.db2.gz QNHQWFLMPKTTDX-QGZVFWFLSA-N 1 0 402.458 3.464 50 0 HGAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000077351996 559002002 /nfs/dbraw/zinc/00/20/02/559002002.db2.gz QNHQWFLMPKTTDX-KRWDZBQOSA-N 1 0 402.458 3.464 50 0 HGAARO Cc1ccc(OCCOC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000023109556 559011895 /nfs/dbraw/zinc/01/18/95/559011895.db2.gz USQFSUIXGWRQIR-QFIPXVFZSA-N 1 0 402.510 3.021 50 0 HGAARO COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127546 559016086 /nfs/dbraw/zinc/01/60/86/559016086.db2.gz KNEROUDAYFLRJO-UHFFFAOYSA-N 1 0 421.950 3.377 50 0 HGAARO Cc1ccnc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)c1 ZINC000082125559 559039630 /nfs/dbraw/zinc/03/96/30/559039630.db2.gz 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Cn1c(=O)cc(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000005008189 559226888 /nfs/dbraw/zinc/22/68/88/559226888.db2.gz SYVDKNVCOOUHHE-UHFFFAOYSA-N 1 0 421.566 3.411 50 0 HGAARO CCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1 ZINC000005043080 559236177 /nfs/dbraw/zinc/23/61/77/559236177.db2.gz JSKHFHKWNXWXLT-UHFFFAOYSA-N 1 0 401.507 3.405 50 0 HGAARO Cn1cccc1[C@H](CNC(=O)C(=O)NCCC1=CCCCC1)[NH+]1CCCCCC1 ZINC000011898758 559265566 /nfs/dbraw/zinc/26/55/66/559265566.db2.gz KJONXLNYNFZYMQ-NRFANRHFSA-N 1 0 400.567 3.065 50 0 HGAARO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000004063002 560598277 /nfs/dbraw/zinc/59/82/77/560598277.db2.gz GQWCDWWREXSFDW-RIVFAIMISA-N 1 0 416.606 3.222 50 0 HGAARO Cc1cc(C)n(-c2nc3sc4c(c3c(NCC[NH+](C)C)n2)CC(C)(C)OC4)n1 ZINC000005563145 560619006 /nfs/dbraw/zinc/61/90/06/560619006.db2.gz QELWKQFMKISWQR-UHFFFAOYSA-N 1 0 400.552 3.319 50 0 HGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1ccc2c1cccc2OC ZINC000409414728 560723296 /nfs/dbraw/zinc/72/32/96/560723296.db2.gz VNKJYWAHPZPDPP-PZJWPPBQSA-N 1 0 413.562 3.389 50 0 biogenic HGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000409415108 560723446 /nfs/dbraw/zinc/72/34/46/560723446.db2.gz TZXOHCPJFHMULX-UGKGYDQZSA-N 1 0 411.550 3.215 50 0 HGAARO COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@H]34)c1C2 ZINC000409415208 560723590 /nfs/dbraw/zinc/72/35/90/560723590.db2.gz WYONCSJRVNDSTA-DNVCBOLYSA-N 1 0 424.545 3.335 50 0 HGAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000018167060 560780614 /nfs/dbraw/zinc/78/06/14/560780614.db2.gz MKPIBSLBSTYPPT-ZUVQJFRASA-N 1 0 423.472 3.271 50 0 HGAARO C[NH+]1CCC2(CC1)Nc1cc(F)c(F)cc1-c1nc(=O)c(-c3ccc(F)cc3)nn12 ZINC000102348723 560810154 /nfs/dbraw/zinc/81/01/54/560810154.db2.gz GYTCYPLKOBKBSC-UHFFFAOYSA-N 1 0 413.403 3.194 50 0 HGAARO C[NH+](C)CCN/C=C1\c2ccccc2C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000103004767 560836461 /nfs/dbraw/zinc/83/64/61/560836461.db2.gz FJIHEJGTUMRLHA-QGOAFFKASA-N 1 0 403.404 3.385 50 0 HGAARO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000106132599 560884808 /nfs/dbraw/zinc/88/48/08/560884808.db2.gz ZRNZAWGGLVDCSL-VQIMIIECSA-N 1 0 414.527 3.203 50 0 HGAARO O=C(Nc1ccccc1OC(F)F)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000107357553 560896238 /nfs/dbraw/zinc/89/62/38/560896238.db2.gz RFSJONJVHKYTDY-SJORKVTESA-N 1 0 405.445 3.293 50 0 HGAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)Cc3csc(-c4ccccc4)n3)cn2)CC1 ZINC000048263886 568433773 /nfs/dbraw/zinc/43/37/73/568433773.db2.gz MQZAZYHMUATQOG-UHFFFAOYSA-N 1 0 421.570 3.206 50 0 HGAARO NC(=O)c1cn(CC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c2ccccc12 ZINC000048285979 568435989 /nfs/dbraw/zinc/43/59/89/568435989.db2.gz BWBXLELUHSBVTQ-NRFANRHFSA-N 1 0 424.932 3.347 50 0 HGAARO Cc1csc(=O)n1CCC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000048310835 568436773 /nfs/dbraw/zinc/43/67/73/568436773.db2.gz DUSBFTNATILSSL-IAGOWNOFSA-N 1 0 401.576 3.403 50 0 HGAARO CCCCOc1ccc(OC)cc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000048355304 568441372 /nfs/dbraw/zinc/44/13/72/568441372.db2.gz XCWWLONCUYJENC-UHFFFAOYSA-N 1 0 405.539 3.051 50 0 HGAARO COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000048362344 568441610 /nfs/dbraw/zinc/44/16/10/568441610.db2.gz BEENQSLUEJMGCT-FQEVSTJZSA-N 1 0 409.530 3.001 50 0 HGAARO Cc1nc2c(c(=O)n1CC(=O)Nc1c(F)cccc1F)C[N@H+](Cc1ccccc1)CC2 ZINC000049400849 568447617 /nfs/dbraw/zinc/44/76/17/568447617.db2.gz BXGLMOMNAZBRCY-UHFFFAOYSA-N 1 0 424.451 3.027 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1 ZINC000033023054 568510455 /nfs/dbraw/zinc/51/04/55/568510455.db2.gz OAWNUHNYLWSKDH-AWEZNQCLSA-N 1 0 413.547 3.272 50 0 HGAARO CCOCCCNC(=S)Nc1ccc2nc(N3CC[NH+](CC)CC3)cc(C)c2c1 ZINC000020153621 568590874 /nfs/dbraw/zinc/59/08/74/568590874.db2.gz ZDSHWDZMPJAVPI-UHFFFAOYSA-N 1 0 415.607 3.398 50 0 HGAARO CCC(CC)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000095401823 568605261 /nfs/dbraw/zinc/60/52/61/568605261.db2.gz SSXJAMVETBKKKN-QFIPXVFZSA-N 1 0 405.558 3.043 50 0 HGAARO O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020438355 568607205 /nfs/dbraw/zinc/60/72/05/568607205.db2.gz UUDCFRKMRWOCCW-UHFFFAOYSA-N 1 0 421.932 3.349 50 0 HGAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 ZINC000095430241 568608792 /nfs/dbraw/zinc/60/87/92/568608792.db2.gz UUSVWBDCNJQAJG-UHFFFAOYSA-N 1 0 420.513 3.172 50 0 HGAARO Cc1nc2cc(C)ccn2c1CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095457013 568617868 /nfs/dbraw/zinc/61/78/68/568617868.db2.gz RLBCKEDDZGXSGE-HSZRJFAPSA-N 1 0 403.574 3.343 50 0 HGAARO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000225460018 568640013 /nfs/dbraw/zinc/64/00/13/568640013.db2.gz MCCRXIXJLQKVMB-PKOBYXMFSA-N 1 0 416.566 3.336 50 0 HGAARO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000225500061 568643715 /nfs/dbraw/zinc/64/37/15/568643715.db2.gz IMRPHRBFTKBQKT-PKOBYXMFSA-N 1 0 419.953 3.086 50 0 HGAARO CC[C@@H]1CN(c2nc(-c3cccnc3)nc3c2CCC3)[C@@H](CC)C[N@@H+]1CC(C)(C)O ZINC000225813500 568676760 /nfs/dbraw/zinc/67/67/60/568676760.db2.gz UWQIHHBJNYMFNJ-MOPGFXCFSA-N 1 0 409.578 3.477 50 0 HGAARO CC(C)[C@H]([NH2+]CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000021584308 568720244 /nfs/dbraw/zinc/72/02/44/568720244.db2.gz VYPVGPUBAVECHM-IRLDBZIGSA-N 1 0 406.592 3.324 50 0 HGAARO COc1ccc(-c2noc(NCCCN3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000021630441 568724996 /nfs/dbraw/zinc/72/49/96/568724996.db2.gz RVDSGOZONJRGIE-UHFFFAOYSA-N 1 0 407.518 3.365 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000021647514 568728263 /nfs/dbraw/zinc/72/82/63/568728263.db2.gz YPGSHAWDLYFCAO-UHFFFAOYSA-N 1 0 422.554 3.029 50 0 HGAARO CO[C@](C)(C(=O)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1)c1ccccc1F ZINC000240423807 568730127 /nfs/dbraw/zinc/73/01/27/568730127.db2.gz FRBKMPGVLBGIBR-HXOBKFHXSA-N 1 0 414.525 3.412 50 0 HGAARO Cc1ccc(-n2c(CC(=O)NCC[N@H+]3CCCC[C@@H]3C)c3[nH]cccc-3c2=O)cc1 ZINC000096386976 568743759 /nfs/dbraw/zinc/74/37/59/568743759.db2.gz BPYJVMITHDWYSX-GHTZIAJQSA-N 1 0 406.530 3.472 50 0 HGAARO CCc1nc(-c2cc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)c(C)s2)no1 ZINC000021883467 568758043 /nfs/dbraw/zinc/75/80/43/568758043.db2.gz PQOMYKGBLKWYOG-UHFFFAOYSA-N 1 0 424.592 3.308 50 0 HGAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000028015183 568777493 /nfs/dbraw/zinc/77/74/93/568777493.db2.gz AGMJGNUMKLYFTO-INIZCTEOSA-N 1 0 407.967 3.479 50 0 HGAARO CCOC(CN(CCc1ccccc1)C(=O)[C@@H]([NH3+])COCc1ccccc1)OCC ZINC000261507980 568820772 /nfs/dbraw/zinc/82/07/72/568820772.db2.gz OOHBEYDTRZGGDZ-QFIPXVFZSA-N 1 0 414.546 3.001 50 0 HGAARO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccccc21 ZINC000230200168 568854761 /nfs/dbraw/zinc/85/47/61/568854761.db2.gz VOPLWFGSMDFFHN-FAODYONGSA-N 1 0 421.884 3.080 50 0 HGAARO Cc1cccc(C[NH+]2CCC(NC(=O)COc3ccc(N4CCCC4=O)cc3)CC2)c1 ZINC000057646265 568856987 /nfs/dbraw/zinc/85/69/87/568856987.db2.gz KFOZQBGVKZPOEU-UHFFFAOYSA-N 1 0 421.541 3.281 50 0 HGAARO Cc1c([N+]2=C3CCCCCN3C[C@]2(O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000003196403 568861141 /nfs/dbraw/zinc/86/11/41/568861141.db2.gz UVEKHWYHXJFFLR-VWLOTQADSA-N 1 0 417.533 3.135 50 0 HGAARO CCOC(=O)c1sc2ncnc(NCC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1C ZINC000012598685 568869389 /nfs/dbraw/zinc/86/93/89/568869389.db2.gz JWKGELGXBMFBEC-BETUJISGSA-N 1 0 406.552 3.476 50 0 HGAARO Cc1cccnc1CN1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299760042 568873110 /nfs/dbraw/zinc/87/31/10/568873110.db2.gz UHVIMNDYUXEVHH-QTJGBDASSA-N 1 0 404.558 3.260 50 0 HGAARO CC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2ccccc2N(C)C3=O)cc1 ZINC000057992326 568873213 /nfs/dbraw/zinc/87/32/13/568873213.db2.gz DRDWZWPEMFPULX-WXVUKLJWSA-N 1 0 403.482 3.184 50 0 HGAARO CCOc1c(Br)cc(C[NH2+]CC(=O)N2CCCC2)cc1Br ZINC000057996905 568873295 /nfs/dbraw/zinc/87/32/95/568873295.db2.gz RHBYGKCOFISGGT-UHFFFAOYSA-N 1 0 420.145 3.322 50 0 HGAARO CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000003290527 568873523 /nfs/dbraw/zinc/87/35/23/568873523.db2.gz JTVNYAMWDNPQQZ-UYAOXDASSA-N 1 0 403.473 3.138 50 0 HGAARO CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@H](O)C[N@H+](C)Cc1ccccc1)C2=O ZINC000058167327 568895521 /nfs/dbraw/zinc/89/55/21/568895521.db2.gz BVCLBYHIMDQNRW-ITGJCUMNSA-N 1 0 415.578 3.396 50 0 HGAARO COCC[N@H+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000083859401 568921402 /nfs/dbraw/zinc/92/14/02/568921402.db2.gz WTGNMFGTFPEIHA-SFHVURJKSA-N 1 0 421.900 3.243 50 0 HGAARO COc1ccc(CNC(=O)CCCC(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000004043242 568936058 /nfs/dbraw/zinc/93/60/58/568936058.db2.gz QRWUGCNJJASTRA-PZJWPPBQSA-N 1 0 402.535 3.289 50 0 biogenic HGAARO COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)[NH2+][C@]23C(=O)Nc2ccccc23)cc1 ZINC000004090652 568942264 /nfs/dbraw/zinc/94/22/64/568942264.db2.gz IIQYFUASRKRMOJ-REDKUUPNSA-N 1 0 411.527 3.213 50 0 biogenic HGAARO O=C(CC[NH+]1CCCCCC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000084350844 568947125 /nfs/dbraw/zinc/94/71/25/568947125.db2.gz KCTBTSABNVPWPL-UHFFFAOYSA-N 1 0 413.971 3.329 50 0 HGAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ccc(Cn2cnnn2)cc1 ZINC000670462004 568953213 /nfs/dbraw/zinc/95/32/13/568953213.db2.gz GNZGWSDBSFUXFO-QFIPXVFZSA-N 1 0 404.518 3.069 50 0 HGAARO CC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CCOc2ccc(Br)cc2)cc1 ZINC000007990812 568967040 /nfs/dbraw/zinc/96/70/40/568967040.db2.gz WLCFCMDYZWIYSC-GOSISDBHSA-N 1 0 422.319 3.402 50 0 HGAARO Cc1cc(=O)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)nn1-c1ccccc1 ZINC000008013106 568968291 /nfs/dbraw/zinc/96/82/91/568968291.db2.gz KKJDEMOTPVIPQO-UHFFFAOYSA-N 1 0 402.498 3.067 50 0 HGAARO Cc1cc2c(cc1S(=O)(=O)NCCC[NH+]1CCCC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733768 568983342 /nfs/dbraw/zinc/98/33/42/568983342.db2.gz BPRWTDKQMIUANZ-UHFFFAOYSA-N 1 0 417.575 3.396 50 0 HGAARO O=S(=O)(c1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1)N1CCOCC1 ZINC000012813918 568987873 /nfs/dbraw/zinc/98/78/73/568987873.db2.gz CXRMISCORPWEKJ-UHFFFAOYSA-N 1 0 414.449 3.016 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000008343744 568994041 /nfs/dbraw/zinc/99/40/41/568994041.db2.gz QCTZGXAMRXUDJU-QFBILLFUSA-N 1 0 419.447 3.477 50 0 HGAARO O=C(C1CCN(c2nc3cccnc3s2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000015770071 568997506 /nfs/dbraw/zinc/99/75/06/568997506.db2.gz HSFCNUXJESHANA-UHFFFAOYSA-N 1 0 413.591 3.385 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002152820 569005082 /nfs/dbraw/zinc/00/50/82/569005082.db2.gz MAJIMOBMGHQQSS-BRKXNLHOSA-N 1 0 410.558 3.094 50 0 biogenic HGAARO COc1cccc(C[N@H+](C[C@@H](O)COC(C)C)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000245330408 569009884 /nfs/dbraw/zinc/00/98/84/569009884.db2.gz YFXVDJMYIPCDOF-FYYLOGMGSA-N 1 0 412.530 3.476 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000053303616 569016402 /nfs/dbraw/zinc/01/64/02/569016402.db2.gz OBAXFBAGZNPTAE-OALUTQOASA-N 1 0 412.578 3.276 50 0 HGAARO C[C@@H]([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012904909 569021137 /nfs/dbraw/zinc/02/11/37/569021137.db2.gz NYUTYECZKXFKIT-VGSWGCGISA-N 1 0 414.571 3.449 50 0 HGAARO Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCC[NH+]4CCCC4)C3)nn2)cc1 ZINC000035398060 569035035 /nfs/dbraw/zinc/03/50/35/569035035.db2.gz DKFMZCVRBBRTER-NRFANRHFSA-N 1 0 407.562 3.271 50 0 HGAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000035398448 569035178 /nfs/dbraw/zinc/03/51/78/569035178.db2.gz PUJAAYUAMPVSCI-UHFFFAOYSA-N 1 0 413.541 3.347 50 0 HGAARO Cc1onc(-c2ccncc2)c1C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000035478631 569038561 /nfs/dbraw/zinc/03/85/61/569038561.db2.gz KWXFTFZXKLFPGL-UHFFFAOYSA-N 1 0 423.492 3.126 50 0 HGAARO CN1CC[N@H+](CCCNC(=O)Nc2cccnc2N2CCCC2)[C@@H](c2ccccc2)C1 ZINC000229752883 569040612 /nfs/dbraw/zinc/04/06/12/569040612.db2.gz CWLKTVFRLWZGIY-JOCHJYFZSA-N 1 0 422.577 3.182 50 0 HGAARO CCCCOc1ccc(C(=O)NCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013022580 569051204 /nfs/dbraw/zinc/05/12/04/569051204.db2.gz LCNQBCVJISDJER-UHFFFAOYSA-N 1 0 423.557 3.376 50 0 HGAARO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000239402893 569054286 /nfs/dbraw/zinc/05/42/86/569054286.db2.gz RGMFWZJLWGHHAD-QRVBRYPASA-N 1 0 419.591 3.310 50 0 HGAARO Cc1cccc(CN(Cc2ccccc2)C(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)n1 ZINC000426491346 569073210 /nfs/dbraw/zinc/07/32/10/569073210.db2.gz CNYCQFFKGXPDFS-NRFANRHFSA-N 1 0 403.530 3.283 50 0 HGAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000036096049 569090095 /nfs/dbraw/zinc/09/00/95/569090095.db2.gz NOVNBTNIEHSDQI-PZJWPPBQSA-N 1 0 401.503 3.125 50 0 HGAARO COC[C@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146718 569098781 /nfs/dbraw/zinc/09/87/81/569098781.db2.gz 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COc1cccc(Cn2nnc3cc(C(=O)NCCC[NH+]4CCCCCC4)ccc32)c1 ZINC000065030406 569157156 /nfs/dbraw/zinc/15/71/56/569157156.db2.gz CPRCQQHUPWYHJF-UHFFFAOYSA-N 1 0 421.545 3.484 50 0 HGAARO COc1ccc([C@@H](CNC(=O)C[C@@H](NC(C)=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000006865335 569158892 /nfs/dbraw/zinc/15/88/92/569158892.db2.gz FPJJLJLUEXHXEQ-DHIUTWEWSA-N 1 0 409.530 3.216 50 0 HGAARO Cc1ccc2ncc(C(=O)NCc3ccccc3C[N@H+]3CCCC[C@H]3C)c(=O)n2c1 ZINC000036394104 569168081 /nfs/dbraw/zinc/16/80/81/569168081.db2.gz MNJGNKMXCLGFMG-GOSISDBHSA-N 1 0 404.514 3.307 50 0 HGAARO O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000036395499 569168760 /nfs/dbraw/zinc/16/87/60/569168760.db2.gz OGBGEZOFZDCZCW-HSZRJFAPSA-N 1 0 419.569 3.249 50 0 HGAARO CC(C)N1c2ccc(C(=O)NCC[NH+]3CCCC3)cc2Sc2ncccc2C1=O ZINC000065241458 569204202 /nfs/dbraw/zinc/20/42/02/569204202.db2.gz FRSJMNRALBYTOU-UHFFFAOYSA-N 1 0 410.543 3.427 50 0 HGAARO CCCC[NH+]1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NCCC)ncn3)C2)CC1 ZINC000065244852 569204653 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3.466 50 0 HGAARO Cc1ccc(C)c(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)c1 ZINC000013579116 569256327 /nfs/dbraw/zinc/25/63/27/569256327.db2.gz ABUJQLJDHRXLOA-IBGZPJMESA-N 1 0 406.515 3.429 50 0 HGAARO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089791050 569266206 /nfs/dbraw/zinc/26/62/06/569266206.db2.gz IXXGBLUGLVDKAX-YADHBBJMSA-N 1 0 411.521 3.361 50 0 HGAARO FC(F)(F)c1cccc(N2CC[NH+](C3CCN(Cc4ccncc4)CC3)CC2)n1 ZINC000252505746 569291193 /nfs/dbraw/zinc/29/11/93/569291193.db2.gz VTJVDWHNPFGUPI-UHFFFAOYSA-N 1 0 405.468 3.282 50 0 HGAARO Cc1csc2nc(C[NH2+][C@@H]3[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]3C)cc(=O)n12 ZINC000253417306 569367408 /nfs/dbraw/zinc/36/74/08/569367408.db2.gz FUZGSLRUGRWWST-HACGYAERSA-N 1 0 406.552 3.188 50 0 HGAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000253424170 569368099 /nfs/dbraw/zinc/36/80/99/569368099.db2.gz BJPFRDAMCPEPAV-OAHLLOKOSA-N 1 0 422.327 3.173 50 0 HGAARO O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000078975212 569422800 /nfs/dbraw/zinc/42/28/00/569422800.db2.gz SJZWHCIWHXUESG-QFBILLFUSA-N 1 0 405.445 3.293 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cnc3nc(C)cc(C)n23)cc1 ZINC000078998840 569423358 /nfs/dbraw/zinc/42/33/58/569423358.db2.gz XYAWXZZJCTZQQI-KRWDZBQOSA-N 1 0 415.563 3.227 50 0 HGAARO CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1 ZINC000019891727 569433294 /nfs/dbraw/zinc/43/32/94/569433294.db2.gz HENAKKLFJXLKOJ-MRXNPFEDSA-N 1 0 402.336 3.165 50 0 HGAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3Cl)[nH]c(=O)c2C1 ZINC000067291904 571068247 /nfs/dbraw/zinc/06/82/47/571068247.db2.gz CIEFVDNCKSODGF-UHFFFAOYSA-N 1 0 410.902 3.474 50 0 HGAARO CCN1C[C@H](CN(C)CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)Oc2ccccc21 ZINC000008747124 571111294 /nfs/dbraw/zinc/11/12/94/571111294.db2.gz ZPZHZBNRNHVNCA-QFIPXVFZSA-N 1 0 422.573 3.440 50 0 HGAARO O=C1CCc2cc(S(=O)(=O)NCC3([NH+]4CCCCC4)CCCCC3)ccc2N1 ZINC000008771121 571117303 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571219626 /nfs/dbraw/zinc/21/96/26/571219626.db2.gz PEOVBAMEGAMIDK-NQIIRXRSSA-N 1 0 400.567 3.200 50 0 HGAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC[NH+](C)C)OC1(CCCCC1)CC3 ZINC000009418990 571256478 /nfs/dbraw/zinc/25/64/78/571256478.db2.gz XXUPDADZLOOOBT-UHFFFAOYSA-N 1 0 412.530 3.350 50 0 HGAARO C[N@H+](CCNC(=O)c1ccc(NC(=O)C2=CSCCO2)cc1)Cc1ccccc1 ZINC000009738081 571283161 /nfs/dbraw/zinc/28/31/61/571283161.db2.gz MWPMAMUZNKMJMJ-UHFFFAOYSA-N 1 0 411.527 3.092 50 0 HGAARO Cc1nn([C@H](C)C(=O)NCCC[NH+]2CCCCC2)c(=O)c2c3ccccc3sc21 ZINC000020466982 571314700 /nfs/dbraw/zinc/31/47/00/571314700.db2.gz ZSNYXQKSTVCLMT-MRXNPFEDSA-N 1 0 412.559 3.473 50 0 HGAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3nnc(-c4ccccc4)o3)CC2)c1 ZINC000020851910 571314802 /nfs/dbraw/zinc/31/48/02/571314802.db2.gz BTNRQNSTNYDDCQ-UHFFFAOYSA-N 1 0 419.529 3.296 50 0 HGAARO COc1ccccc1Oc1nc(N2CCN(C)CC2)nc2c1C[N@H+](CC(C)C)CC2 ZINC000034755621 571316547 /nfs/dbraw/zinc/31/65/47/571316547.db2.gz MCOREGYTAWPSRY-UHFFFAOYSA-N 1 0 411.550 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ZINC000012167445 132355693 /nfs/dbraw/zinc/35/56/93/132355693.db2.gz YRTMDQVDIIBBNB-DEOSSOPVSA-N 1 0 407.558 3.351 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1)c1cccc(OC)c1 ZINC000032753484 520864891 /nfs/dbraw/zinc/86/48/91/520864891.db2.gz JBXPZGMKSLMVHU-ROYMIACWSA-N 1 0 423.557 3.412 50 0 HGAARO COCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1cc(F)ccc1F)C3 ZINC000020598956 523508927 /nfs/dbraw/zinc/50/89/27/523508927.db2.gz BAFSZUABCIFNCY-OAHLLOKOSA-N 1 0 419.497 3.420 50 0 HGAARO C[N@@H+]1CCCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000040355527 523807422 /nfs/dbraw/zinc/80/74/22/523807422.db2.gz YRWDKENDGDTVLI-UHFFFAOYSA-N 1 0 413.330 3.480 50 0 HGAARO Cc1cc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2cc(C)cc(C)c2)CC3)c(C)o1 ZINC000020599568 524112979 /nfs/dbraw/zinc/11/29/79/524112979.db2.gz ZPCRCIGUUXKJEA-UHFFFAOYSA-N 1 0 407.518 3.093 50 0 HGAARO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000045822012 524452205 /nfs/dbraw/zinc/45/22/05/524452205.db2.gz 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O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](C2CSCCSC2)CC1 ZINC000020352320 527147425 /nfs/dbraw/zinc/14/74/25/527147425.db2.gz QHHFNSXKPMYKJA-UHFFFAOYSA-N 1 0 402.589 3.371 50 0 HGAARO COc1ccccc1C(=O)N1CCC([NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC000004109087 536993289 /nfs/dbraw/zinc/99/32/89/536993289.db2.gz PULHLXJAUJECFX-UHFFFAOYSA-N 1 0 409.530 3.131 50 0 HGAARO CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677545 557365298 /nfs/dbraw/zinc/36/52/98/557365298.db2.gz ODFOYOSAILKRAW-GOSISDBHSA-N 1 0 420.941 3.249 50 0 HGAARO Cc1ccccc1NC(=O)COc1ccc(Br)cc1C[NH2+]CCCO ZINC000002884425 557421230 /nfs/dbraw/zinc/42/12/30/557421230.db2.gz RPGIRCHZCYUPCH-UHFFFAOYSA-N 1 0 407.308 3.247 50 0 HGAARO Cc1cccc(-n2nc(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)nc2CCc2ccccc2)c1 ZINC000034911809 557476629 /nfs/dbraw/zinc/47/66/29/557476629.db2.gz SMYYSHGBSFZZAE-OAQYLSRUSA-N 1 0 403.530 3.137 50 0 HGAARO Cc1ccc(OC[C@H](O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=N)cc1 ZINC000004082730 557511025 /nfs/dbraw/zinc/51/10/25/557511025.db2.gz QMQZDGQMFWZYJI-HXUWFJFHSA-N 1 0 408.546 3.156 50 0 HGAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2nc3ccc(OC)cc3s2)C1 ZINC000004757464 557594890 /nfs/dbraw/zinc/59/48/90/557594890.db2.gz HUJBQTCQPSDAKW-MRXNPFEDSA-N 1 0 404.580 3.369 50 0 HGAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)cc2)c1=N ZINC000005016321 557626145 /nfs/dbraw/zinc/62/61/45/557626145.db2.gz BMYZMZJZHZOWRG-SFHVURJKSA-N 1 0 416.953 3.357 50 0 HGAARO CCCOc1c(Br)cc(C[NH2+]CCCN2CCOCC2)cc1OCC ZINC000005027713 557627401 /nfs/dbraw/zinc/62/74/01/557627401.db2.gz PDKXXRBRJKTLPR-UHFFFAOYSA-N 1 0 415.372 3.449 50 0 HGAARO C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc3ccccc3c2)c2ccsc2)CC1 ZINC000022767122 557815023 /nfs/dbraw/zinc/81/50/23/557815023.db2.gz CMQRJUUBADRIGU-OAQYLSRUSA-N 1 0 415.584 3.168 50 0 HGAARO C[NH+]1CCN([C@H](CNC(=O)COc2ccc3ccccc3c2)c2ccc(F)cc2)CC1 ZINC000022794745 557822050 /nfs/dbraw/zinc/82/20/50/557822050.db2.gz XSAWFSPCZMMJQF-XMMPIXPASA-N 1 0 421.516 3.463 50 0 HGAARO Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCC[NH+]1CCCC1 ZINC000010112493 557855331 /nfs/dbraw/zinc/85/53/31/557855331.db2.gz AHGWQLHDEBITNH-UHFFFAOYSA-N 1 0 401.532 3.012 50 0 HGAARO CCCCn1c(CN(C)C[C@H]2CCC[N@@H+]2C)cnc1S(=O)(=O)CCCC(C)C ZINC000019770704 558279371 /nfs/dbraw/zinc/27/93/71/558279371.db2.gz VSWCEVUSQCXKGY-LJQANCHMSA-N 1 0 412.644 3.419 50 0 HGAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)CC1 ZINC000019791488 558282735 /nfs/dbraw/zinc/28/27/35/558282735.db2.gz GBSWQPUXEODFLE-LJQANCHMSA-N 1 0 405.546 3.358 50 0 HGAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2cccc(OC)c2)cc1 ZINC000011868368 558290037 /nfs/dbraw/zinc/29/00/37/558290037.db2.gz HBDMLMXZAHGFEK-OAQYLSRUSA-N 1 0 410.514 3.195 50 0 HGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)Cc1c(C)noc1C ZINC000011948903 558302374 /nfs/dbraw/zinc/30/23/74/558302374.db2.gz CWHUPPOVZAVBEG-UHFFFAOYSA-N 1 0 417.525 3.360 50 0 HGAARO C[NH+](C)CCCN1CN=C2N[C@H](c3ccc(Cl)cc3)n3c4ccccc4nc3N2C1 ZINC000020101301 558331785 /nfs/dbraw/zinc/33/17/85/558331785.db2.gz DXVOBXYDKSDWFD-FQEVSTJZSA-N 1 0 423.952 3.185 50 0 HGAARO CC[C@H](C)C[NH+]1CCC([C@@]2(CC)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 ZINC000012131184 558332811 /nfs/dbraw/zinc/33/28/11/558332811.db2.gz SKFFJQFDZQZXBW-QMHKHESXSA-N 1 0 415.534 3.374 50 0 HGAARO CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](Cc1ccsc1)CC2 ZINC000012278815 558364666 /nfs/dbraw/zinc/36/46/66/558364666.db2.gz RSORIAPCDYRQLJ-IBGZPJMESA-N 1 0 424.574 3.310 50 0 HGAARO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H]([N@H+](C)CCc1cnn(C)c1)C3 ZINC000012282203 558365310 /nfs/dbraw/zinc/36/53/10/558365310.db2.gz GGEOKEFSTSQWNR-QGZVFWFLSA-N 1 0 413.591 3.269 50 0 HGAARO CCn1cc(CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)cn1 ZINC000012307933 558376404 /nfs/dbraw/zinc/37/64/04/558376404.db2.gz VZWGTIKXYXBGIA-UHFFFAOYSA-N 1 0 419.529 3.271 50 0 HGAARO Cc1ccc(C)c(N2C(=O)c3ccccc3/C(=C\NCCC[NH+]3CCOCC3)C2=O)c1 ZINC000020517537 558383085 /nfs/dbraw/zinc/38/30/85/558383085.db2.gz AEHZQWWQSAGDMC-OQKWZONESA-N 1 0 419.525 3.143 50 0 HGAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(C/C=C/c3ccco3)CC2)C1 ZINC000012432780 558407073 /nfs/dbraw/zinc/40/70/73/558407073.db2.gz JBSGARXCPPRYIW-BTZGUFSASA-N 1 0 408.546 3.181 50 0 HGAARO Cc1cccn2c(C[NH2+]CCOC(C)C)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012445296 558413398 /nfs/dbraw/zinc/41/33/98/558413398.db2.gz YSDFGQLHJPXJAC-UHFFFAOYSA-N 1 0 408.546 3.472 50 0 HGAARO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012455442 558417131 /nfs/dbraw/zinc/41/71/31/558417131.db2.gz QFDXMROOQPLSTL-DEOSSOPVSA-N 1 0 408.546 3.432 50 0 HGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cscn4)C3)C2)c1OC ZINC000012459181 558418823 /nfs/dbraw/zinc/41/88/23/558418823.db2.gz WERVGHFRZOCHGG-OAQYLSRUSA-N 1 0 401.532 3.289 50 0 HGAARO c1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)n(-c2ncccn2)c1 ZINC000020911348 558422041 /nfs/dbraw/zinc/42/20/41/558422041.db2.gz JZJOOTSJQWXPTR-QFIPXVFZSA-N 1 0 402.546 3.054 50 0 HGAARO CC(=O)c1ccc(OCC(=O)N(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012587283 558434308 /nfs/dbraw/zinc/43/43/08/558434308.db2.gz MQEGRJPBVVGYOE-JOCHJYFZSA-N 1 0 406.526 3.358 50 0 HGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1snnc1C ZINC000012593894 558436826 /nfs/dbraw/zinc/43/68/26/558436826.db2.gz FMPFSGXFGITNEB-GOSISDBHSA-N 1 0 402.564 3.272 50 0 HGAARO COc1ccc([C@@H](CNC(=O)CCc2nc(-c3ccsc3)no2)[NH+](C)C)cc1 ZINC000021635672 558444046 /nfs/dbraw/zinc/44/40/46/558444046.db2.gz LBOCPYXRPQHJNK-QGZVFWFLSA-N 1 0 400.504 3.158 50 0 HGAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncn3nc(-c4cccc(C)c4)nc3c12 ZINC000021801917 558450298 /nfs/dbraw/zinc/45/02/98/558450298.db2.gz FRDQJDASPGCKQX-UHFFFAOYSA-N 1 0 404.518 3.394 50 0 HGAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncn3nc(-c4ccc(C)cc4)nc3c12 ZINC000021801920 558450336 /nfs/dbraw/zinc/45/03/36/558450336.db2.gz ODIXLMGCLXMGGF-UHFFFAOYSA-N 1 0 404.518 3.394 50 0 HGAARO CN(C(=O)CC[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000012710773 558452229 /nfs/dbraw/zinc/45/22/29/558452229.db2.gz RXMDRLOBUCRCDQ-FQEVSTJZSA-N 1 0 415.578 3.027 50 0 HGAARO CC[NH+](CC)C[C@H](O)COc1ccc(CNCc2cc(C(C)C)no2)cc1OC ZINC000012713212 558453741 /nfs/dbraw/zinc/45/37/41/558453741.db2.gz VPRZXEACHZZLIW-SFHVURJKSA-N 1 0 405.539 3.178 50 0 HGAARO Cc1nnc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000022580362 558500078 /nfs/dbraw/zinc/50/00/78/558500078.db2.gz MUBGMMLPDKUKRU-UHFFFAOYSA-N 1 0 407.543 3.192 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(OC)c1 ZINC000022700856 558505619 /nfs/dbraw/zinc/50/56/19/558505619.db2.gz RSMZFTJNUHIIIV-HSZRJFAPSA-N 1 0 409.530 3.417 50 0 HGAARO CC1CCC2(CC1)NC(=O)N(CN1CC[NH+](Cc3cccc4ccccc43)CC1)C2=O ZINC000022775562 558509444 /nfs/dbraw/zinc/50/94/44/558509444.db2.gz HXZBVRXDHCTBMQ-UHFFFAOYSA-N 1 0 420.557 3.416 50 0 HGAARO COc1ccc([C@H](C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)N2CCOCC2)cc1 ZINC000022789503 558511949 /nfs/dbraw/zinc/51/19/49/558511949.db2.gz UCCUDYXXDBBGLU-IBGZPJMESA-N 1 0 422.472 3.468 50 0 HGAARO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](C(C)C)[NH+](C)C)c2)cc1 ZINC000023098510 558534355 /nfs/dbraw/zinc/53/43/55/558534355.db2.gz REBRXFFBOZVICC-HXUWFJFHSA-N 1 0 403.548 3.112 50 0 HGAARO COc1ccc(-c2noc(CN3CC[NH+](C4CCCCC4)CC3)n2)c(OC)c1OC ZINC000023359911 558551652 /nfs/dbraw/zinc/55/16/52/558551652.db2.gz IEPYBOXIYWUYSF-UHFFFAOYSA-N 1 0 416.522 3.213 50 0 HGAARO CCc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000023375004 558554410 /nfs/dbraw/zinc/55/44/10/558554410.db2.gz CABYTVMWCWYOSE-HXUWFJFHSA-N 1 0 411.546 3.353 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2ccccc2N2CCCC2=O)[NH+]2CCCC2)cc1 ZINC000014118082 558621966 /nfs/dbraw/zinc/62/19/66/558621966.db2.gz DAVIYYSHNDIXCB-QFIPXVFZSA-N 1 0 407.514 3.389 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000014252637 558650534 /nfs/dbraw/zinc/65/05/34/558650534.db2.gz IRAIFQMCNSUAFQ-NRFANRHFSA-N 1 0 415.484 3.236 50 0 HGAARO O=C(CC[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000025946735 558652546 /nfs/dbraw/zinc/65/25/46/558652546.db2.gz LIBGEORRNRSDRF-UHFFFAOYSA-N 1 0 421.541 3.447 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1cc(F)cc(F)c1)CC2 ZINC000014740927 558666981 /nfs/dbraw/zinc/66/69/81/558666981.db2.gz PYKQRSOSOOYDNN-QGZVFWFLSA-N 1 0 414.456 3.211 50 0 HGAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000014748853 558670170 /nfs/dbraw/zinc/67/01/70/558670170.db2.gz KCKPMKTXIGUMKF-UHFFFAOYSA-N 1 0 407.514 3.132 50 0 HGAARO O=C1CC[C@@H]([N@@H+]2CC[C@@H]3CCCC[C@H]3C2)CCN1CCS(=O)(=O)c1ccccc1 ZINC000014880698 558675984 /nfs/dbraw/zinc/67/59/84/558675984.db2.gz APIRVROOOUCCJO-PCCBWWKXSA-N 1 0 418.603 3.354 50 0 HGAARO O=C(CCN1CCCCCC1=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000014947907 558680080 /nfs/dbraw/zinc/68/00/80/558680080.db2.gz RYEFXUWACAHGQY-XMMPIXPASA-N 1 0 415.553 3.433 50 0 HGAARO COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1=O ZINC000027675846 558680307 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417.962 3.432 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)c1cc(=O)c(OCc2ccccc2)co1)Cc1ccccc1 ZINC000072314350 559165356 /nfs/dbraw/zinc/16/53/56/559165356.db2.gz XHOMMKAEDWKHOT-FQEVSTJZSA-N 1 0 406.482 3.122 50 0 HGAARO O=S(=O)(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000225574128 559189527 /nfs/dbraw/zinc/18/95/27/559189527.db2.gz PJURXXKJXGNCQE-AWEZNQCLSA-N 1 0 424.510 3.081 50 0 HGAARO C[NH+](C)CCCn1c2c(c(SCC(=O)Nc3ccc(Cl)cc3)nc1=O)CCC2 ZINC000004851788 559191273 /nfs/dbraw/zinc/19/12/73/559191273.db2.gz MRLQMOGTYRVGIW-UHFFFAOYSA-N 1 0 420.966 3.068 50 0 HGAARO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971554 559220557 /nfs/dbraw/zinc/22/05/57/559220557.db2.gz DPAREUXDFRPUQR-UHFFFAOYSA-N 1 0 421.607 3.166 50 0 HGAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccsc2)n[nH]1 ZINC000409413124 559250448 /nfs/dbraw/zinc/25/04/48/559250448.db2.gz DBXANTGRDZMASA-OXQOHEQNSA-N 1 0 402.564 3.491 50 0 HGAARO CN(C(=O)c1c(=O)n(C)nc(-c2ccccc2)c1-c1ccccc1)C1CC[NH+](C)CC1 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COCCOc1ccc(S(=O)(=O)N(CCC[NH+](C)C)Cc2ccccc2)cc1C ZINC000048313071 568439041 /nfs/dbraw/zinc/43/90/41/568439041.db2.gz RGFCPRLXVKHIQC-UHFFFAOYSA-N 1 0 420.575 3.163 50 0 HGAARO Cc1ccc(NC(=O)Cn2cnc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1C ZINC000049400708 568447664 /nfs/dbraw/zinc/44/76/64/568447664.db2.gz BULKRDXGSFHDBO-UHFFFAOYSA-N 1 0 402.498 3.057 50 0 HGAARO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1F ZINC000049400788 568447676 /nfs/dbraw/zinc/44/76/76/568447676.db2.gz NZBVZXKXPBBGHR-UHFFFAOYSA-N 1 0 420.488 3.196 50 0 HGAARO O=C1C[C@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000049581141 568452809 /nfs/dbraw/zinc/45/28/09/568452809.db2.gz NBBYHVVEXVSNGZ-GBAJDQEWSA-N 1 0 420.900 3.302 50 0 HGAARO Cn1cc([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)[NH+](C)C)c2ccccc21 ZINC000021698432 568466966 /nfs/dbraw/zinc/46/69/66/568466966.db2.gz OGXVERFNZHGDLM-IBGZPJMESA-N 1 0 416.884 3.328 50 0 HGAARO Cn1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)NCCC[NH+](C)C)c2ccccc21 ZINC000012325115 568471742 /nfs/dbraw/zinc/47/17/42/568471742.db2.gz RTSUSIQRGOYNKV-QNGOZBTKSA-N 1 0 422.504 3.156 50 0 HGAARO CCCc1nc2nc(C)cc(NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)n2n1 ZINC000020177935 568592788 /nfs/dbraw/zinc/59/27/88/568592788.db2.gz GGIKCCWPYSOSQH-UHFFFAOYSA-N 1 0 413.957 3.273 50 0 HGAARO CCC[NH+]1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3o2)CC1 ZINC000020210113 568594230 /nfs/dbraw/zinc/59/42/30/568594230.db2.gz OMCOENAXVHJPJB-UHFFFAOYSA-N 1 0 410.518 3.137 50 0 HGAARO CC[NH+]1CCN(CCCNC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)CC1 ZINC000020286366 568596946 /nfs/dbraw/zinc/59/69/46/568596946.db2.gz WCHPRLDDQKMSRS-UHFFFAOYSA-N 1 0 413.543 3.074 50 0 HGAARO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000095444374 568611413 /nfs/dbraw/zinc/61/14/13/568611413.db2.gz VCYKWBJRYYCPME-IPELMVKDSA-N 1 0 407.352 3.345 50 0 HGAARO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)Cc3ccc4c(c3)OCO4)cc2)C[C@H]1C ZINC000095460122 568620028 /nfs/dbraw/zinc/62/00/28/568620028.db2.gz QRIHZMYOWSLACY-KDURUIRLSA-N 1 0 424.541 3.283 50 0 HGAARO CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC4(CC[NH2+]CC4)CC3)cc2c1C ZINC000225427175 568637293 /nfs/dbraw/zinc/63/72/93/568637293.db2.gz RXAWHUNYRRWDSO-UHFFFAOYSA-N 1 0 420.531 3.072 50 0 HGAARO CCOCCC[N@@H+]1CC[C@@H](N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)[C@H](C)C1 ZINC000225456921 568639603 /nfs/dbraw/zinc/63/96/03/568639603.db2.gz UCENJBIKSGKDRS-VQIMIIECSA-N 1 0 407.942 3.241 50 0 HGAARO CCCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000020677655 568639739 /nfs/dbraw/zinc/63/97/39/568639739.db2.gz MKZXTOFTQFCITI-UHFFFAOYSA-N 1 0 421.545 3.211 50 0 HGAARO COC(=O)c1scc(C)c1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000225465659 568640473 /nfs/dbraw/zinc/64/04/73/568640473.db2.gz SUXDCCIDDJIEFD-WBVHZDCISA-N 1 0 420.556 3.148 50 0 HGAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)CCN3CCOCC3)CC2)cc1Cl ZINC000020733901 568640912 /nfs/dbraw/zinc/64/09/12/568640912.db2.gz MRJYLQHWNYBNOS-UHFFFAOYSA-N 1 0 411.015 3.074 50 0 HGAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2cn(CCc3ccccc3)nn2)C1 ZINC000012385352 568672772 /nfs/dbraw/zinc/67/27/72/568672772.db2.gz IKJGTXNGDNHISC-NRFANRHFSA-N 1 0 403.530 3.049 50 0 HGAARO CC(C)C(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000229892772 568715736 /nfs/dbraw/zinc/71/57/36/568715736.db2.gz WSZFFFSGSCYSLE-RJGXRXQPSA-N 1 0 411.590 3.394 50 0 HGAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2c(nc3c(C)cccn3c2=O)s1 ZINC000096347308 568737825 /nfs/dbraw/zinc/73/78/25/568737825.db2.gz FKLHYZVMQZYCSV-HNNXBMFYSA-N 1 0 400.548 3.458 50 0 HGAARO O=C(C1CC[NH+](CCc2c[nH]c3ncccc23)CC1)N1CCN(c2ccccc2)CC1 ZINC000096372413 568739889 /nfs/dbraw/zinc/73/98/89/568739889.db2.gz YXKTYCYAUGGXKF-UHFFFAOYSA-N 1 0 417.557 3.166 50 0 HGAARO CCOC(=O)C1=C(C[NH2+]CCc2ccc(OCC)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000085993821 568745115 /nfs/dbraw/zinc/74/51/15/568745115.db2.gz IFYDJSOVZBAADG-QFIPXVFZSA-N 1 0 423.513 3.089 50 0 HGAARO CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)C2 ZINC000096398280 568746996 /nfs/dbraw/zinc/74/69/96/568746996.db2.gz NLBLKPBQCOANDK-MRXNPFEDSA-N 1 0 403.592 3.032 50 0 HGAARO CC[NH+]1CCN(CCCNC(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000021934562 568761902 /nfs/dbraw/zinc/76/19/02/568761902.db2.gz UHTRFFGUWQZBBB-UHFFFAOYSA-N 1 0 403.530 3.054 50 0 HGAARO COc1ccc(C[N@H+](C)[C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F ZINC000097165332 568769653 /nfs/dbraw/zinc/76/96/53/568769653.db2.gz UYRPIEQFMVTQOZ-MRXNPFEDSA-N 1 0 422.522 3.048 50 0 HGAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)NC(=O)Nc3ccccc3)c(C)c2)CC1 ZINC000056170347 568790590 /nfs/dbraw/zinc/79/05/90/568790590.db2.gz FCRDOEGBUFIGIT-GOSISDBHSA-N 1 0 409.534 3.286 50 0 HGAARO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000056479466 568807693 /nfs/dbraw/zinc/80/76/93/568807693.db2.gz GAAOUYSITZOJOK-FQEVSTJZSA-N 1 0 418.541 3.210 50 0 HGAARO Cc1c(Br)c(C(F)F)nn1CC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000002781561 568808585 /nfs/dbraw/zinc/80/85/85/568808585.db2.gz WZOWYOIHTLSVEK-LLVKDONJSA-N 1 0 407.303 3.128 50 0 HGAARO O=C1Nc2ncccc2O[C@@H]1CC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000063110733 568824396 /nfs/dbraw/zinc/82/43/96/568824396.db2.gz HEQVOSRDANSIJE-QGZVFWFLSA-N 1 0 407.301 3.300 50 0 HGAARO O=C1Nc2ncccc2O[C@H]1CC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000063110732 568824420 /nfs/dbraw/zinc/82/44/20/568824420.db2.gz HEQVOSRDANSIJE-KRWDZBQOSA-N 1 0 407.301 3.300 50 0 HGAARO O=C(Nc1ccccc1O)C1CC[NH+]([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 ZINC000057289825 568825973 /nfs/dbraw/zinc/82/59/73/568825973.db2.gz YLHZQUDGBCWUFU-QFIPXVFZSA-N 1 0 407.514 3.406 50 0 HGAARO C[NH+](C)C1(CNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CCCCC1 ZINC000029504757 568827158 /nfs/dbraw/zinc/82/71/58/568827158.db2.gz KZEQNGGOINEHQJ-UHFFFAOYSA-N 1 0 419.525 3.477 50 0 HGAARO C[N@H+](CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000002954385 568829709 /nfs/dbraw/zinc/82/97/09/568829709.db2.gz JNTFYRHEOIIQQV-QGZVFWFLSA-N 1 0 417.912 3.470 50 0 HGAARO CSc1cccc(N2C[C@H](C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)CC2=O)c1 ZINC000029836454 568836835 /nfs/dbraw/zinc/83/68/35/568836835.db2.gz BKBHCWNJKVMAOS-OXQOHEQNSA-N 1 0 415.534 3.320 50 0 HGAARO C[C@H]1C[NH+](CCCNC(=O)N(C)Cc2csc(Br)c2)C[C@H](C)O1 ZINC000057481381 568841407 /nfs/dbraw/zinc/84/14/07/568841407.db2.gz UUCDHYIKTKUAKP-STQMWFEESA-N 1 0 404.374 3.151 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000230171789 568853923 /nfs/dbraw/zinc/85/39/23/568853923.db2.gz ZTFOQFMVYLFUOG-JQVVWYNYSA-N 1 0 423.557 3.422 50 0 HGAARO Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000030361117 568862000 /nfs/dbraw/zinc/86/20/00/568862000.db2.gz BUOIJCXEMVIQLQ-UHFFFAOYSA-N 1 0 405.539 3.015 50 0 HGAARO CC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@@]23c2ccccc2N(C)C3=O)cc1 ZINC000057992331 568873149 /nfs/dbraw/zinc/87/31/49/568873149.db2.gz DRDWZWPEMFPULX-WWEVIYMKSA-N 1 0 403.482 3.184 50 0 HGAARO COc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]CCSC)C4)cc1 ZINC000299763331 568873537 /nfs/dbraw/zinc/87/35/37/568873537.db2.gz UNXBMZPQFOWUMJ-HNNXBMFYSA-N 1 0 415.584 3.325 50 0 HGAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCc2ccccc2)CC1 ZINC000299766418 568873811 /nfs/dbraw/zinc/87/38/11/568873811.db2.gz DJNZRVHHTUBRSK-HSZRJFAPSA-N 1 0 412.505 3.139 50 0 HGAARO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)cc2)CC1 ZINC000058010265 568875282 /nfs/dbraw/zinc/87/52/82/568875282.db2.gz IOMHXGCVADPHMV-DEOSSOPVSA-N 1 0 406.574 3.346 50 0 HGAARO COc1cccc(-c2nc3cc(F)ccc3cc2C[NH2+][C@H]2CCS(=O)(=O)C2)c1 ZINC000299802694 568876796 /nfs/dbraw/zinc/87/67/96/568876796.db2.gz NKXHFCDGLUOBQX-SFHVURJKSA-N 1 0 400.475 3.326 50 0 HGAARO C[NH+](C)CCCn1c2ccccc2n(C[C@H](O)c2ccc(Br)cc2)c1=N ZINC000001237075 568906531 /nfs/dbraw/zinc/90/65/31/568906531.db2.gz ZOXORTFDXCFOKL-IBGZPJMESA-N 1 0 417.351 3.370 50 0 HGAARO COc1ccccc1CNC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000031083793 568912708 /nfs/dbraw/zinc/91/27/08/568912708.db2.gz FWLMKZUSCSYYMY-UHFFFAOYSA-N 1 0 410.562 3.405 50 0 HGAARO CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000031553101 568927811 /nfs/dbraw/zinc/92/78/11/568927811.db2.gz KRMZBVNPBVAZAI-IAGOWNOFSA-N 1 0 419.547 3.068 50 0 HGAARO CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000031553105 568927891 /nfs/dbraw/zinc/92/78/91/568927891.db2.gz KRMZBVNPBVAZAI-SJORKVTESA-N 1 0 419.547 3.068 50 0 HGAARO CC[NH+](CC)CCNC(=O)C[S@](=O)Cc1nc(-c2ccccc2Cl)oc1C ZINC000004111312 568944119 /nfs/dbraw/zinc/94/41/19/568944119.db2.gz PCUINXOSECMXAB-MHZLTWQESA-N 1 0 411.955 3.010 50 0 HGAARO O=C(NCc1ccccc1)NC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000084539223 568950744 /nfs/dbraw/zinc/95/07/44/568950744.db2.gz PKYKLNWTWLLCQH-QFIPXVFZSA-N 1 0 420.557 3.189 50 0 HGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000007988585 568965958 /nfs/dbraw/zinc/96/59/58/568965958.db2.gz PSGVWFZBBWVYHK-QFIPXVFZSA-N 1 0 406.530 3.321 50 0 HGAARO CCCC[N@H+](CC)CCCNC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000015728122 568978890 /nfs/dbraw/zinc/97/88/90/568978890.db2.gz GDACXZNUWBPJJF-SFHVURJKSA-N 1 0 418.611 3.174 50 0 HGAARO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CC23CC4CC(CC(C4)C2)C3)c(OC)c1 ZINC000008324279 568991007 /nfs/dbraw/zinc/99/10/07/568991007.db2.gz IHUOZBZJRTZWBZ-UVLALUNPSA-N 1 0 403.519 3.028 50 0 HGAARO C[N@H+](CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)Cc1ccccc1 ZINC000015770215 568997530 /nfs/dbraw/zinc/99/75/30/568997530.db2.gz HOIUXAJFZYHNNA-UHFFFAOYSA-N 1 0 409.559 3.156 50 0 HGAARO O=C(Cn1ccccc1=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000012823166 569006738 /nfs/dbraw/zinc/00/67/38/569006738.db2.gz JHGKUFLDSPDUIC-UHFFFAOYSA-N 1 0 401.510 3.428 50 0 HGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1CCO ZINC000104339098 569008318 /nfs/dbraw/zinc/00/83/18/569008318.db2.gz NOCNTCCVEKQEMY-XMMPIXPASA-N 1 0 408.521 3.389 50 0 HGAARO COCC[NH2+]Cc1cnc(C)c2oc(-c3cc(=O)oc4cc5c(cc43)OCO5)cc21 ZINC000085876636 569009582 /nfs/dbraw/zinc/00/95/82/569009582.db2.gz JRFKDMNGDKNCFZ-UHFFFAOYSA-N 1 0 408.410 3.374 50 0 biogenic HGAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000012910653 569021538 /nfs/dbraw/zinc/02/15/38/569021538.db2.gz JSCAQWWFZMRCPY-FGZHOGPDSA-N 1 0 407.514 3.371 50 0 HGAARO C[C@@H]1CN(C(=O)CCC(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)c2ccccc2O1 ZINC000015942046 569024207 /nfs/dbraw/zinc/02/42/07/569024207.db2.gz YTEQOHXBFOSWQV-GBESFXJTSA-N 1 0 401.551 3.350 50 0 HGAARO CCOc1ccc(Br)cc1S(=O)(=O)NCCC[NH+]1CCCCCC1 ZINC000012936982 569027307 /nfs/dbraw/zinc/02/73/07/569027307.db2.gz JUAXYXHXZWEKIR-UHFFFAOYSA-N 1 0 419.385 3.392 50 0 HGAARO Cc1cccc(-c2ccc(N3CCC(C(=O)NCC[NH+]4CCCCC4)CC3)nn2)c1 ZINC000035398375 569035139 /nfs/dbraw/zinc/03/51/39/569035139.db2.gz OLQSYQKJWXEOHY-UHFFFAOYSA-N 1 0 407.562 3.271 50 0 HGAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC000035398588 569035187 /nfs/dbraw/zinc/03/51/87/569035187.db2.gz SNCLFQUJJBFCDP-UHFFFAOYSA-N 1 0 413.541 3.347 50 0 HGAARO CC(C)CN(CC(C)C)C(=O)c1cc(NC(=O)C(C)(C)C)cnc1N1CC[NH2+]CC1 ZINC000035514133 569043298 /nfs/dbraw/zinc/04/32/98/569043298.db2.gz FBZSASYYBORVIT-UHFFFAOYSA-N 1 0 417.598 3.230 50 0 HGAARO CC[C@H](C(=O)Nc1ccccc1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000241720929 569054823 /nfs/dbraw/zinc/05/48/23/569054823.db2.gz QTKSBTXSEFWZJH-VQIMIIECSA-N 1 0 408.502 3.099 50 0 HGAARO Cc1ccc(C(=O)C2=C3C(O)N(c4cc(C)cc(C)c4)C(=O)[C@H]3[C@H]3CCCN23)cc1 ZINC000245326071 569055845 /nfs/dbraw/zinc/05/58/45/569055845.db2.gz IWNOZIKSIZMADR-MBDNFAEBSA-N 1 0 402.494 3.447 50 0 HGAARO Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000089556202 569070214 /nfs/dbraw/zinc/07/02/14/569070214.db2.gz BJTHURNOIMYEGL-MSOLQXFVSA-N 1 0 411.527 3.324 50 0 HGAARO CC[N@H+](C)[C@H](C)CCNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426599568 569073627 /nfs/dbraw/zinc/07/36/27/569073627.db2.gz LCINTPSDAUCYQF-CQSZACIVSA-N 1 0 404.580 3.371 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@H](C)[NH+]3CCCC3)csc2C1 ZINC000426727487 569074044 /nfs/dbraw/zinc/07/40/44/569074044.db2.gz MLGLUKYELMGCDW-AWEZNQCLSA-N 1 0 402.564 3.125 50 0 HGAARO COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)NCCC[NH+](C)C)ccc32)cc1 ZINC000006623726 569075316 /nfs/dbraw/zinc/07/53/16/569075316.db2.gz BNYLAWCLPNCWKX-MRXNPFEDSA-N 1 0 424.497 3.304 50 0 biogenic HGAARO CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000006638837 569076697 /nfs/dbraw/zinc/07/66/97/569076697.db2.gz UWAYTVIJHFLOSY-CYBMUJFWSA-N 1 0 407.374 3.247 50 0 HGAARO COc1ccc(C[N@H+](C[C@H](O)COCc2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000036096051 569090343 /nfs/dbraw/zinc/09/03/43/569090343.db2.gz ATUKVMYQOHLSII-VXKWHMMOSA-N 1 0 415.530 3.263 50 0 HGAARO CC(C)C[NH+]1CCN(C(=O)CCNc2c(-c3cccc(F)c3)nc3cnccn32)CC1 ZINC000064759312 569090694 /nfs/dbraw/zinc/09/06/94/569090694.db2.gz BJSOGYQGRIPOGG-UHFFFAOYSA-N 1 0 424.524 3.138 50 0 HGAARO CCNC(=O)Nc1ccc(N(C)C)c(CN(CC[NH+](C)C)C(=O)C(CC)CC)c1 ZINC000006712903 569096871 /nfs/dbraw/zinc/09/68/71/569096871.db2.gz FIXPRZMNCPQHEG-UHFFFAOYSA-N 1 0 405.587 3.220 50 0 HGAARO Cc1nc2cc(C(=O)NCC[NH+]3CCCCCC3)ccc2n(Cc2ccccc2)c1=O ZINC000064859403 569109493 /nfs/dbraw/zinc/10/94/93/569109493.db2.gz RGDSZQRJHHYBIW-UHFFFAOYSA-N 1 0 418.541 3.359 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3nc(N4CCOCC4)sc3c2)C1 ZINC000006806350 569130990 /nfs/dbraw/zinc/13/09/90/569130990.db2.gz HDHVHNAVHDKTKZ-IAGOWNOFSA-N 1 0 416.591 3.231 50 0 HGAARO CCOC(=O)c1nc2onc(C)c2c(NCC[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000064960142 569135463 /nfs/dbraw/zinc/13/54/63/569135463.db2.gz ZCSMJFXXABHDOF-UHFFFAOYSA-N 1 0 423.517 3.470 50 0 HGAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2cccc(F)c2)CC1 ZINC000036340192 569141514 /nfs/dbraw/zinc/14/15/14/569141514.db2.gz NHVOYNKUCIPEER-NRFANRHFSA-N 1 0 400.542 3.496 50 0 HGAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341840 569141821 /nfs/dbraw/zinc/14/18/21/569141821.db2.gz TYHGEDGVLMJYHV-FQEVSTJZSA-N 1 0 407.470 3.197 50 0 HGAARO Cc1ccc(C(=O)N2[C@@H](C(=O)NCC[NH+](C)C)CS[C@H]2C2CCCCC2)cc1 ZINC000006838352 569149747 /nfs/dbraw/zinc/14/97/47/569149747.db2.gz URVPKNCRRFHEBR-KNQAVFIVSA-N 1 0 403.592 3.137 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2ccccc2Oc2ncccc2C1=O ZINC000006878016 569164815 /nfs/dbraw/zinc/16/48/15/569164815.db2.gz WEDBGCBQRJXTRD-KRWDZBQOSA-N 1 0 408.502 3.215 50 0 HGAARO CC[NH+]1CCN(CCCNc2ccc(-c3nc(-c4cccc(F)c4)no3)cn2)CC1 ZINC000065097932 569176636 /nfs/dbraw/zinc/17/66/36/569176636.db2.gz BUPRKWLWEHQSLK-UHFFFAOYSA-N 1 0 410.497 3.377 50 0 HGAARO COc1ccc(NC(=O)N2CCc3c2cccc3C(=O)NCC[NH+]2CCCC2)cc1 ZINC000065210096 569196581 /nfs/dbraw/zinc/19/65/81/569196581.db2.gz QHJZOBKMKDLIJF-UHFFFAOYSA-N 1 0 408.502 3.115 50 0 HGAARO COc1cccc(CNC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)c1 ZINC000065255975 569208003 /nfs/dbraw/zinc/20/80/03/569208003.db2.gz HHQDWRDLQRFJBU-QFIPXVFZSA-N 1 0 402.498 3.171 50 0 HGAARO O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256060 569208184 /nfs/dbraw/zinc/20/81/84/569208184.db2.gz LTBACTFLAVDHDU-FQEVSTJZSA-N 1 0 416.481 3.256 50 0 HGAARO CC(C)Cn1c2ccccc2n2nc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2c1=O ZINC000065292425 569218180 /nfs/dbraw/zinc/21/81/80/569218180.db2.gz AWNBONFEOFMBMJ-UHFFFAOYSA-N 1 0 423.561 3.157 50 0 HGAARO Cc1nc(Nc2ccc(Br)cn2)sc1C(=O)NCC[NH+]1CCCC1 ZINC000065306346 569220543 /nfs/dbraw/zinc/22/05/43/569220543.db2.gz POCKADWMZAWZAU-UHFFFAOYSA-N 1 0 410.341 3.178 50 0 HGAARO CCc1ccc([C@@H](CNC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)[NH+](C)C)cc1 ZINC000036748064 569226087 /nfs/dbraw/zinc/22/60/87/569226087.db2.gz UJXZBKJSNGALAL-WOJBJXKFSA-N 1 0 416.953 3.421 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 ZINC000065503833 569232955 /nfs/dbraw/zinc/23/29/55/569232955.db2.gz HCQYGAKIBBMVLJ-MRXNPFEDSA-N 1 0 415.484 3.476 50 0 HGAARO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)C1 ZINC000007339654 569234029 /nfs/dbraw/zinc/23/40/29/569234029.db2.gz ZXMUBSCVNKOHLD-ROUUACIJSA-N 1 0 407.580 3.168 50 0 HGAARO Cc1cc(=O)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nn1-c1ccccc1F ZINC000007437365 569238984 /nfs/dbraw/zinc/23/89/84/569238984.db2.gz MEXPXDSZYKCSBR-UHFFFAOYSA-N 1 0 420.488 3.206 50 0 HGAARO CO[C@@H](C)CC(=O)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000170609427 569245025 /nfs/dbraw/zinc/24/50/25/569245025.db2.gz VEHMTRIOULAXFN-AWEZNQCLSA-N 1 0 400.313 3.261 50 0 HGAARO Cc1ccc(S(=O)(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000170617463 569248101 /nfs/dbraw/zinc/24/81/01/569248101.db2.gz WKTKYHZZBCQFOY-MRXNPFEDSA-N 1 0 421.950 3.147 50 0 HGAARO COc1ccc(N(C[C@@H](O)C[NH2+]CCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016839620 569264337 /nfs/dbraw/zinc/26/43/37/569264337.db2.gz UXDGQBOWBKLKKA-FQEVSTJZSA-N 1 0 420.575 3.196 50 0 HGAARO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)NCC1(c2ccccc2)CCC1 ZINC000089920320 569268737 /nfs/dbraw/zinc/26/87/37/569268737.db2.gz DRKLJUVPZCDKQZ-OALUTQOASA-N 1 0 415.578 3.460 50 0 HGAARO COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(C[NH+]2CCCCC2)cc1=O ZINC000017120723 569275109 /nfs/dbraw/zinc/27/51/09/569275109.db2.gz KEIOWEAGEVZRPD-UHFFFAOYSA-N 1 0 403.910 3.443 50 0 HGAARO O=C(c1ccco1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581819673 569320721 /nfs/dbraw/zinc/32/07/21/569320721.db2.gz AOFFVXGODCNUSL-OAQYLSRUSA-N 1 0 409.530 3.256 50 0 HGAARO O=S(=O)(NCC1CC[NH+](C2CCSCC2)CC1)c1cccc2cccnc21 ZINC000253394024 569365119 /nfs/dbraw/zinc/36/51/19/569365119.db2.gz WLEDIRYEMMEEFK-UHFFFAOYSA-N 1 0 405.589 3.121 50 0 HGAARO O=C(Cn1nc(C(F)F)c2c1CCC2)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000054992642 569375990 /nfs/dbraw/zinc/37/59/90/569375990.db2.gz LGZYSMIYCRLFCD-QGZVFWFLSA-N 1 0 415.488 3.233 50 0 HGAARO CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1(C)C ZINC000078714445 569419851 /nfs/dbraw/zinc/41/98/51/569419851.db2.gz WJNORECRZSHEOY-SFTDATJTSA-N 1 0 403.611 3.456 50 0 HGAARO O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000078878515 569421333 /nfs/dbraw/zinc/42/13/33/569421333.db2.gz KHVWYIIHMRIBHB-MRXNPFEDSA-N 1 0 403.910 3.108 50 0 HGAARO C[C@H]1C[C@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000079025238 569424786 /nfs/dbraw/zinc/42/47/86/569424786.db2.gz NORMPTKZHRTKHA-AZUAARDMSA-N 1 0 406.530 3.101 50 0 HGAARO C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000079025234 569424791 /nfs/dbraw/zinc/42/47/91/569424791.db2.gz NORMPTKZHRTKHA-UYAOXDASSA-N 1 0 406.530 3.101 50 0 HGAARO CCCC[N@H+](CC)Cc1cccc(CNC(=O)CN2C(=O)COc3ccccc32)c1 ZINC000079073967 569426922 /nfs/dbraw/zinc/42/69/22/569426922.db2.gz WDCLZSZIWJOWGD-UHFFFAOYSA-N 1 0 409.530 3.350 50 0 HGAARO O=C(CCc1nc2cc(Br)cnc2[nH]1)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000079191726 569429364 /nfs/dbraw/zinc/42/93/64/569429364.db2.gz HDCXFIQASNQSDD-BBRMVZONSA-N 1 0 420.355 3.034 50 0 biogenic HGAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)NCc1cccc(Cl)c1 ZINC000079490040 569432513 /nfs/dbraw/zinc/43/25/13/569432513.db2.gz JCRLAZNDEJJPNX-UHFFFAOYSA-N 1 0 404.894 3.364 50 0 HGAARO CC(C)(C(=O)NC[C@@H]1CN(C(=O)Nc2ccccc2)[C@H]2CC[N@@H+]1C2)c1cccs1 ZINC000095981215 571050222 /nfs/dbraw/zinc/05/02/22/571050222.db2.gz IIESOOLVBTZTJS-ZWKOTPCHSA-N 1 0 412.559 3.133 50 0 HGAARO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NCCC1=CCCCC1 ZINC000008883386 571140845 /nfs/dbraw/zinc/14/08/45/571140845.db2.gz PVUAEJUYYZGLLZ-UHFFFAOYSA-N 1 0 413.518 3.073 50 0 HGAARO COc1ccc(CNC(=S)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000040087581 571158165 /nfs/dbraw/zinc/15/81/65/571158165.db2.gz DHMQELWHEVZHFK-ROUUACIJSA-N 1 0 413.587 3.469 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccs1 ZINC000040103702 571164210 /nfs/dbraw/zinc/16/42/10/571164210.db2.gz KNNCLEPVEIXMSL-CYBMUJFWSA-N 1 0 403.476 3.169 50 0 HGAARO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000040108076 571167844 /nfs/dbraw/zinc/16/78/44/571167844.db2.gz ZONZAERYUVJOFV-PQCJFMQRSA-N 1 0 403.611 3.192 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000040112645 571170863 /nfs/dbraw/zinc/17/08/63/571170863.db2.gz GSEOVEAFEVUOJH-SFHVURJKSA-N 1 0 421.607 3.292 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccs1 ZINC000040119999 571176158 /nfs/dbraw/zinc/17/61/58/571176158.db2.gz NHVYILMJRIJWMW-MJGOQNOKSA-N 1 0 417.550 3.087 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 ZINC000069378610 571224723 /nfs/dbraw/zinc/22/47/23/571224723.db2.gz ZKHNCMVQSOSSNY-QGZVFWFLSA-N 1 0 420.604 3.419 50 0 HGAARO C[NH+](C)CCNC(=O)c1ccc(Nc2c(-c3ccccc3)nc3cnccn32)cc1 ZINC000009191795 571235545 /nfs/dbraw/zinc/23/55/45/571235545.db2.gz FPMHCUQMXRMUJF-UHFFFAOYSA-N 1 0 400.486 3.431 50 0 HGAARO COc1ccc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1NC(C)=O ZINC000009683295 571279368 /nfs/dbraw/zinc/27/93/68/571279368.db2.gz WMERSVUWLBFLRS-UHFFFAOYSA-N 1 0 423.579 3.121 50 0 HGAARO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000070922278 571281913 /nfs/dbraw/zinc/28/19/13/571281913.db2.gz ZWGAWJLIVSXSBO-UHFFFAOYSA-N 1 0 415.437 3.175 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)C2=CSCCO2)cc1 ZINC000009738055 571283129 /nfs/dbraw/zinc/28/31/29/571283129.db2.gz XUYMKXJKSYGOHY-MRXNPFEDSA-N 1 0 403.548 3.224 50 0 HGAARO CC(C)(C)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000009762731 571284630 /nfs/dbraw/zinc/28/46/30/571284630.db2.gz UPSGBGLSYRFQLR-UHFFFAOYSA-N 1 0 401.960 3.231 50 0 HGAARO Cc1ccc(-n2nc(C(=O)NCC[C@H]3CCC[N@H+]3C)nc2Cc2ccccc2)cc1 ZINC000034911178 571316710 /nfs/dbraw/zinc/31/67/10/571316710.db2.gz FKNHMMCUZISHIH-HXUWFJFHSA-N 1 0 403.530 3.381 50 0 HGAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(C)c2OC)CC1 ZINC000004739183 132286553 /nfs/dbraw/zinc/28/65/53/132286553.db2.gz YNYNPEBOHPBMTF-UHFFFAOYSA-N 1 0 411.502 3.184 50 0 HGAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000006700964 132313150 /nfs/dbraw/zinc/31/31/50/132313150.db2.gz WSKNNRUYIFGAIB-UHFFFAOYSA-N 1 0 401.894 3.439 50 0 HGAARO COc1ccccc1N1CC[NH+](CCCNC(=O)Nc2ccc(F)cc2F)CC1 ZINC000006767513 132315468 /nfs/dbraw/zinc/31/54/68/132315468.db2.gz KZGPVMLNMXCGJK-UHFFFAOYSA-N 1 0 404.461 3.307 50 0 HGAARO Cn1cc(C[NH2+]C2CCN(c3ccc(NC(=O)COc4ccccc4)cc3)CC2)cn1 ZINC000011782620 132350426 /nfs/dbraw/zinc/35/04/26/132350426.db2.gz DLSFJKOPNMOXNP-UHFFFAOYSA-N 1 0 419.529 3.196 50 0 HGAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1 ZINC000011936883 132352424 /nfs/dbraw/zinc/35/24/24/132352424.db2.gz UPRWDFFFWPSTNP-XMMPIXPASA-N 1 0 407.558 3.302 50 0 HGAARO COc1cc(F)ccc1C[NH2+][C@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 ZINC000012433194 132359875 /nfs/dbraw/zinc/35/98/75/132359875.db2.gz NWLWKDCMJHQADS-SFHVURJKSA-N 1 0 400.498 3.264 50 0 HGAARO COc1cc(F)ccc1C[NH2+][C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 ZINC000012716548 132366218 /nfs/dbraw/zinc/36/62/18/132366218.db2.gz AENZOGJEVLPHLA-LJQANCHMSA-N 1 0 400.498 3.000 50 0 HGAARO C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012747004 132366536 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0 HGAARO CC[NH+]1CCN(CCCNC(=O)c2c3ccccc3nnc2-c2ccc(C)cc2)CC1 ZINC000032952928 521681628 /nfs/dbraw/zinc/68/16/28/521681628.db2.gz TXXUMTFDJBEZAU-UHFFFAOYSA-N 1 0 417.557 3.363 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccs1 ZINC000044118138 522077254 /nfs/dbraw/zinc/07/72/54/522077254.db2.gz WVRRFTGFNPVVCE-SJORKVTESA-N 1 0 402.520 3.290 50 0 HGAARO COc1ccc(-c2n[nH]cc2CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000020539208 523183050 /nfs/dbraw/zinc/18/30/50/523183050.db2.gz GQEKMTJEVCMSGA-QFIPXVFZSA-N 1 0 406.530 3.154 50 0 HGAARO COCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1cc(F)ccc1F)C3 ZINC000020598955 523508875 /nfs/dbraw/zinc/50/88/75/523508875.db2.gz BAFSZUABCIFNCY-HNNXBMFYSA-N 1 0 419.497 3.420 50 0 HGAARO COCC[NH+]1CCN(Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 ZINC000020600628 523856038 /nfs/dbraw/zinc/85/60/38/523856038.db2.gz QSVWGDIAZLJRDB-UHFFFAOYSA-N 1 0 406.530 3.312 50 0 HGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)CN1Cc1ccncc1 ZINC000032582047 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405.901 3.206 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@@H]2CCO)cc1C ZINC000019745947 558266062 /nfs/dbraw/zinc/26/60/62/558266062.db2.gz VVZKSRRSLYHQRU-QFIPXVFZSA-N 1 0 420.557 3.258 50 0 HGAARO O=C(NCc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011662287 558266199 /nfs/dbraw/zinc/26/61/99/558266199.db2.gz SPYWYYBLZKFCTR-SFHVURJKSA-N 1 0 403.954 3.069 50 0 HGAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[NH2+]CCCn1nnc2ccccc21 ZINC000011664690 558268306 /nfs/dbraw/zinc/26/83/06/558268306.db2.gz MPCCCZGGQUOQLW-UHFFFAOYSA-N 1 0 419.533 3.131 50 0 HGAARO Cc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(C(=O)N2CCC[C@@H](O)C2)c1 ZINC000011667996 558269728 /nfs/dbraw/zinc/26/97/28/558269728.db2.gz XNZDPODQIYHFIV-HXUWFJFHSA-N 1 0 409.530 3.030 50 0 HGAARO O=C(CCN1Cc2ccccc2C1=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011812745 558277760 /nfs/dbraw/zinc/27/77/60/558277760.db2.gz FBRJCAPTTZBUNR-QFIPXVFZSA-N 1 0 405.542 3.246 50 0 HGAARO O=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NCC[NH+]1CCCCC1 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COc1cccc2c1OCC(C[NH+]1CCC(n3nccc3NC(=O)C3CC3)CC1)=C2 ZINC000012072839 558318018 /nfs/dbraw/zinc/31/80/18/558318018.db2.gz WYHIBBQUYBYYJH-UHFFFAOYSA-N 1 0 408.502 3.353 50 0 HGAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000012073661 558318647 /nfs/dbraw/zinc/31/86/47/558318647.db2.gz ALYPXKQQURDNET-NRFANRHFSA-N 1 0 403.530 3.472 50 0 HGAARO C[NH+](C)CCCN1CN=C2N[C@@H](c3ccc(Cl)cc3)n3c4ccccc4nc3N2C1 ZINC000020101298 558331817 /nfs/dbraw/zinc/33/18/17/558331817.db2.gz DXVOBXYDKSDWFD-HXUWFJFHSA-N 1 0 423.952 3.185 50 0 HGAARO CCn1nc(C)c(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)c1C ZINC000012165173 558342213 /nfs/dbraw/zinc/34/22/13/558342213.db2.gz LYNRJBSJVCXBIB-GOSISDBHSA-N 1 0 400.523 3.056 50 0 HGAARO Cn1cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020167680 558343047 /nfs/dbraw/zinc/34/30/47/558343047.db2.gz YBQQSYPSBGZGQB-OAQYLSRUSA-N 1 0 404.514 3.347 50 0 HGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1Cc1ccccc1Cl ZINC000020254655 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420.517 3.094 50 0 HGAARO O=C(CC[C@@H]1CCC[N@H+](CCCn2cccn2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012386037 558394756 /nfs/dbraw/zinc/39/47/56/558394756.db2.gz OVGYMZPLVPTRBU-DEOSSOPVSA-N 1 0 423.605 3.110 50 0 HGAARO O=C(C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCSCC1 ZINC000012387573 558396543 /nfs/dbraw/zinc/39/65/43/558396543.db2.gz FTPOECMIYMXJGO-UHFFFAOYSA-N 1 0 414.575 3.084 50 0 HGAARO O=C(NCc1ccccn1)c1cccc(OC2CC[NH+](Cc3ccc(CO)o3)CC2)c1 ZINC000020785578 558413732 /nfs/dbraw/zinc/41/37/32/558413732.db2.gz UTHRKNIMOPHYPA-UHFFFAOYSA-N 1 0 421.497 3.140 50 0 HGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN(C)Cc3ccncc3)C2)cc1 ZINC000012449308 558415853 /nfs/dbraw/zinc/41/58/53/558415853.db2.gz PEKRERLKFYTKKO-XMMPIXPASA-N 1 0 408.590 3.493 50 0 HGAARO CCOc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1CO ZINC000020869283 558418373 /nfs/dbraw/zinc/41/83/73/558418373.db2.gz NSNGXEOAIWSEHE-XMMPIXPASA-N 1 0 409.574 3.364 50 0 HGAARO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3cccc4c3OCO4)[N@@H+]3CCC[C@@]123 ZINC000012458770 558418495 /nfs/dbraw/zinc/41/84/95/558418495.db2.gz DWCGDRRZFGJLTM-HMHJJOSWSA-N 1 0 402.494 3.321 50 0 HGAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)o1 ZINC000020908438 558421831 /nfs/dbraw/zinc/42/18/31/558421831.db2.gz KFKCGYAQBWHEFJ-SFHVURJKSA-N 1 0 407.518 3.048 50 0 HGAARO COCc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)o1 ZINC000012480089 558423396 /nfs/dbraw/zinc/42/33/96/558423396.db2.gz RMBWUOXJLHEIHR-SFHVURJKSA-N 1 0 416.518 3.222 50 0 HGAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000020937999 558424632 /nfs/dbraw/zinc/42/46/32/558424632.db2.gz CHAGXNKSFFCIHV-UHFFFAOYSA-N 1 0 410.562 3.183 50 0 HGAARO CCn1nc(C)c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1C ZINC000020996404 558426755 /nfs/dbraw/zinc/42/67/55/558426755.db2.gz JRIMTWFYGWITJW-QFIPXVFZSA-N 1 0 414.594 3.214 50 0 HGAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](CCCn3cccn3)C2)c(OC)c1 ZINC000012589690 558435334 /nfs/dbraw/zinc/43/53/34/558435334.db2.gz KIJRJTCGSKMUFB-IBGZPJMESA-N 1 0 414.550 3.099 50 0 HGAARO CN(C(=O)CCN1Cc2ccccc2C1=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012596557 558437887 /nfs/dbraw/zinc/43/78/87/558437887.db2.gz PWCFBMZKSNMTAQ-QFIPXVFZSA-N 1 0 405.542 3.198 50 0 HGAARO Cc1nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000021793669 558449304 /nfs/dbraw/zinc/44/93/04/558449304.db2.gz MSEUIRCPELBISB-UHFFFAOYSA-N 1 0 419.451 3.366 50 0 HGAARO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000022029734 558458978 /nfs/dbraw/zinc/45/89/78/558458978.db2.gz RSTCGKXBBFMXMS-QGZVFWFLSA-N 1 0 403.548 3.373 50 0 HGAARO O=C(C1CC[NH+](C2CCN(Cc3c(F)cccc3Cl)CC2)CC1)N1CCOCC1 ZINC000012756870 558460154 /nfs/dbraw/zinc/46/01/54/558460154.db2.gz DZWGBLMLMHYZPA-UHFFFAOYSA-N 1 0 423.960 3.014 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)c(C)c2)CC1 ZINC000022238040 558471231 /nfs/dbraw/zinc/47/12/31/558471231.db2.gz UKLNZXHCCYLLQI-IBGZPJMESA-N 1 0 410.493 3.341 50 0 HGAARO C[NH+](C)Cc1ccccc1CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000012905309 558484070 /nfs/dbraw/zinc/48/40/70/558484070.db2.gz CJJOMTMPTNWRLX-OUKQBFOZSA-N 1 0 405.542 3.316 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2)cc1 ZINC000013038333 558505516 /nfs/dbraw/zinc/50/55/16/558505516.db2.gz YMBDSNMFWKAYSE-OAHLLOKOSA-N 1 0 407.511 3.146 50 0 HGAARO O=C(CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)Nc1cccc2nsnc21 ZINC000022752064 558507675 /nfs/dbraw/zinc/50/76/75/558507675.db2.gz RBPAOXLRCNNNFI-UHFFFAOYSA-N 1 0 411.575 3.216 50 0 HGAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000013071322 558511472 /nfs/dbraw/zinc/51/14/72/558511472.db2.gz FMLRSPICFWMISW-KRWDZBQOSA-N 1 0 403.548 3.013 50 0 HGAARO O=C(c1nc2ccccn2c1CN1CCC[N@H+](Cc2cccs2)CC1)N1CCCC1 ZINC000023192477 558541944 /nfs/dbraw/zinc/54/19/44/558541944.db2.gz JININNFMWKCWIZ-UHFFFAOYSA-N 1 0 423.586 3.340 50 0 HGAARO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000023310933 558548662 /nfs/dbraw/zinc/54/86/62/558548662.db2.gz DJTVJPDIVOHVIK-GOSISDBHSA-N 1 0 416.493 3.250 50 0 HGAARO CCOC(=O)N1CCC(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000023732009 558571599 /nfs/dbraw/zinc/57/15/99/558571599.db2.gz HILGMLYOESOPBG-UHFFFAOYSA-N 1 0 424.545 3.288 50 0 HGAARO COC(=O)c1cn(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c2ccccc12 ZINC000023739802 558572829 /nfs/dbraw/zinc/57/28/29/558572829.db2.gz IAVGUXBJHQTTKX-JOCHJYFZSA-N 1 0 405.498 3.381 50 0 HGAARO O[C@H](COCc1cccs1)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000024632100 558605777 /nfs/dbraw/zinc/60/57/77/558605777.db2.gz MZJADLNSIFQRAD-KRWDZBQOSA-N 1 0 400.466 3.467 50 0 HGAARO Cc1c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)sc2nc(C)cc(C)c12 ZINC000024844061 558617498 /nfs/dbraw/zinc/61/74/98/558617498.db2.gz KIPHVPUDGGGNPO-UHFFFAOYSA-N 1 0 409.559 3.298 50 0 HGAARO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000025231756 558635246 /nfs/dbraw/zinc/63/52/46/558635246.db2.gz DHLQMQQQQLGETD-XMSQKQJNSA-N 1 0 408.498 3.269 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccsc1 ZINC000026146409 558656334 /nfs/dbraw/zinc/65/63/34/558656334.db2.gz ONBNWLKWCNZLQX-FQEVSTJZSA-N 1 0 414.575 3.476 50 0 HGAARO Cc1ccc(F)cc1C[NH2+][C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000014536055 558658227 /nfs/dbraw/zinc/65/82/27/558658227.db2.gz AOWAEPKRSLLAFH-SFHVURJKSA-N 1 0 410.493 3.380 50 0 HGAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCCc1ccncc1)C2 ZINC000014733454 558666116 /nfs/dbraw/zinc/66/61/16/558666116.db2.gz OADAIUAXVHRWRV-HXUWFJFHSA-N 1 0 409.578 3.394 50 0 HGAARO C[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1Cl ZINC000026901902 558666724 /nfs/dbraw/zinc/66/67/24/558666724.db2.gz YYSGSXAWMXPRIL-AWEZNQCLSA-N 1 0 408.333 3.173 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1cc(F)ccc1F)CC2 ZINC000014742121 558667379 /nfs/dbraw/zinc/66/73/79/558667379.db2.gz YJRHMOOWQGGFGZ-MRXNPFEDSA-N 1 0 414.456 3.211 50 0 HGAARO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]C1Cc3ccccc3C1)CC2 ZINC000014744406 558668491 /nfs/dbraw/zinc/66/84/91/558668491.db2.gz PFFDNQVTIHYAQO-NRFANRHFSA-N 1 0 414.553 3.307 50 0 HGAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000014746297 558669107 /nfs/dbraw/zinc/66/91/07/558669107.db2.gz HAWREIXTUJTQOF-UHFFFAOYSA-N 1 0 413.543 3.194 50 0 HGAARO CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccccn1)CC2 ZINC000014753005 558671385 /nfs/dbraw/zinc/67/13/85/558671385.db2.gz AJGOPPASHZOXEF-UHFFFAOYSA-N 1 0 421.545 3.322 50 0 HGAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014755898 558672023 /nfs/dbraw/zinc/67/20/23/558672023.db2.gz GTPXZYIEQAHDIN-UHFFFAOYSA-N 1 0 423.513 3.220 50 0 HGAARO COc1ccc(CCN2C(=O)CC[C@H]2CC[NH2+]CCOc2ccc(F)cc2)cc1 ZINC000014880163 558675749 /nfs/dbraw/zinc/67/57/49/558675749.db2.gz AOLODCYRTGDZPO-FQEVSTJZSA-N 1 0 400.494 3.427 50 0 HGAARO COC(=O)c1ccc([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000014968564 558686579 /nfs/dbraw/zinc/68/65/79/558686579.db2.gz OROIRTDEIUFPBO-XTJBDQBJSA-N 1 0 420.509 3.420 50 0 HGAARO CCc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)cc1 ZINC000014993972 558695508 /nfs/dbraw/zinc/69/55/08/558695508.db2.gz UWQIFWMUCCGNDE-UHFFFAOYSA-N 1 0 417.557 3.180 50 0 HGAARO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)[nH]n1 ZINC000015064961 558707796 /nfs/dbraw/zinc/70/77/96/558707796.db2.gz YNVNVXZNRZSITG-GOSISDBHSA-N 1 0 421.467 3.164 50 0 HGAARO COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCOCC3)C2)cc1OC ZINC000015070774 558712576 /nfs/dbraw/zinc/71/25/76/558712576.db2.gz DVYJVDIJGUOFMH-INIZCTEOSA-N 1 0 410.942 3.208 50 0 HGAARO O=c1oc2cc(Br)ccc2n1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000029500994 558715929 /nfs/dbraw/zinc/71/59/29/558715929.db2.gz NYUCZMQHCDVUAY-UHFFFAOYSA-N 1 0 416.319 3.175 50 0 HGAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000022937632 558725776 /nfs/dbraw/zinc/72/57/76/558725776.db2.gz MFEYYGSXYOSOSG-UHFFFAOYSA-N 1 0 421.589 3.246 50 0 HGAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030363056 558729270 /nfs/dbraw/zinc/72/92/70/558729270.db2.gz PVELFWISLGOPJC-OAQYLSRUSA-N 1 0 413.949 3.269 50 0 HGAARO COc1cc2cc[n+](C)c(Cc3cc(OC)c(OC)cc3NC(C)=O)c2cc1OC ZINC000016321140 558786268 /nfs/dbraw/zinc/78/62/68/558786268.db2.gz WCGKVHLXRZALSF-UHFFFAOYSA-O 1 0 411.478 3.248 50 0 HGAARO O=C(CCN(Cc1ccc(F)cc1)C(=O)c1ccc(F)c(Cl)c1)N1CC[NH2+]CC1 ZINC000035421881 558791560 /nfs/dbraw/zinc/79/15/60/558791560.db2.gz YGFARFTZXCPWPF-UHFFFAOYSA-N 1 0 421.875 3.083 50 0 HGAARO Cc1cc(C)c(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1C ZINC000019225045 558852566 /nfs/dbraw/zinc/85/25/66/558852566.db2.gz ORXZERWSJWWWKB-SFHVURJKSA-N 1 0 407.518 3.346 50 0 HGAARO O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)NCCC[NH+]1CCCCC1 ZINC000033031739 558855556 /nfs/dbraw/zinc/85/55/56/558855556.db2.gz KWFCZRBKWBQLFS-UHFFFAOYSA-N 1 0 412.509 3.166 50 0 HGAARO COc1cc(Cl)cc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)c1OC ZINC000019300771 558866574 /nfs/dbraw/zinc/86/65/74/558866574.db2.gz FUKBEBOSYDHBLT-FQEVSTJZSA-N 1 0 404.938 3.426 50 0 HGAARO COc1ccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c(OC)c1 ZINC000019361657 558876401 /nfs/dbraw/zinc/87/64/01/558876401.db2.gz GUYSXUKBLGTVOV-UHFFFAOYSA-N 1 0 409.574 3.486 50 0 HGAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ccccc3OCCO)C2)cc1 ZINC000055271059 558878192 /nfs/dbraw/zinc/87/81/92/558878192.db2.gz UCSATZJODPQPHG-JOCHJYFZSA-N 1 0 412.574 3.453 50 0 HGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000057997371 558893784 /nfs/dbraw/zinc/89/37/84/558893784.db2.gz FUDHJYVQNMFTPI-FQEVSTJZSA-N 1 0 421.501 3.233 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)NCCOc3cccc(OC)c3)cc2C)CC1 ZINC000058065315 558897532 /nfs/dbraw/zinc/89/75/32/558897532.db2.gz IHRIEVZWXFSRCJ-UHFFFAOYSA-N 1 0 412.534 3.346 50 0 HGAARO CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 ZINC000058062862 558897562 /nfs/dbraw/zinc/89/75/62/558897562.db2.gz LJRWWZRLFBJOTH-GOSISDBHSA-N 1 0 423.579 3.073 50 0 HGAARO CS(=O)(=O)c1cnc(Cc2c(Cl)cccc2Cl)nc1[C@@H]1CCC[NH2+]C1 ZINC000071589552 558905755 /nfs/dbraw/zinc/90/57/55/558905755.db2.gz LTWZNNORCMFAAN-LLVKDONJSA-N 1 0 400.331 3.245 50 0 HGAARO COCCOc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1OC ZINC000058178225 558909845 /nfs/dbraw/zinc/90/98/45/558909845.db2.gz KUQMLHHSCXXRLO-QGZVFWFLSA-N 1 0 407.555 3.297 50 0 HGAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3occc3COc3ccccc3)cn2)CC1 ZINC000058194910 558910746 /nfs/dbraw/zinc/91/07/46/558910746.db2.gz AORMWXWZWDWJFL-UHFFFAOYSA-N 1 0 420.513 3.326 50 0 HGAARO CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)ccc1OC ZINC000058343252 558920741 /nfs/dbraw/zinc/92/07/41/558920741.db2.gz WCZFLVSNHRGBRY-KRWDZBQOSA-N 1 0 417.550 3.145 50 0 HGAARO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000059374741 558934849 /nfs/dbraw/zinc/93/48/49/558934849.db2.gz NVHQMLNIMWUMRU-UHFFFAOYSA-N 1 0 411.498 3.448 50 0 HGAARO Cc1ccc(NC(=O)c2nnc(CCC(=O)NCC[N@H+]3CCCC[C@H]3C)s2)cc1 ZINC000033062070 558955898 /nfs/dbraw/zinc/95/58/98/558955898.db2.gz IXMWZKSQIYXKSN-MRXNPFEDSA-N 1 0 415.563 3.022 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000067872010 558994181 /nfs/dbraw/zinc/99/41/81/558994181.db2.gz BOXJVFJJZZGAHN-UHFFFAOYSA-N 1 0 416.493 3.254 50 0 HGAARO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000097162373 558998143 /nfs/dbraw/zinc/99/81/43/558998143.db2.gz LPPXRIXULZMQGG-HKUYNNGSSA-N 1 0 400.523 3.376 50 0 HGAARO CNC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000097165606 558998532 /nfs/dbraw/zinc/99/85/32/558998532.db2.gz PAXTVTCSQVBMRE-ZWKOTPCHSA-N 1 0 411.550 3.003 50 0 HGAARO COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2c1cc(C)[nH+]c(N)n1 ZINC000077488884 559007236 /nfs/dbraw/zinc/00/72/36/559007236.db2.gz VROBIRVHEFVVQY-HKUYNNGSSA-N 1 0 401.470 3.037 50 0 HGAARO O=C(NCC1CC[NH2+]CC1)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 ZINC000077489659 559007336 /nfs/dbraw/zinc/00/73/36/559007336.db2.gz VEOLKIWKXNYDBG-UHFFFAOYSA-N 1 0 410.562 3.448 50 0 HGAARO COc1ccccc1N1CC[NH+](C[C@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000023114556 559012660 /nfs/dbraw/zinc/01/26/60/559012660.db2.gz GRFCCEHKBSRLAQ-PQCJFMQRSA-N 1 0 400.563 3.164 50 0 HGAARO COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1Cl)c1ccccc1 ZINC000078751633 559014520 /nfs/dbraw/zinc/01/45/20/559014520.db2.gz IWWJGPKCTQLLAA-LJQANCHMSA-N 1 0 417.937 3.413 50 0 HGAARO Cc1cccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)c1 ZINC000082098514 559037894 /nfs/dbraw/zinc/03/78/94/559037894.db2.gz WNXNWELRYVHXBL-JOCHJYFZSA-N 1 0 406.574 3.383 50 0 HGAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)cc1 ZINC000082100114 559038120 /nfs/dbraw/zinc/03/81/20/559038120.db2.gz VEQLLUODZHOGEH-QHCPKHFHSA-N 1 0 406.574 3.383 50 0 HGAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(c3ncccc3Cl)CC2)C1 ZINC000082125994 559039814 /nfs/dbraw/zinc/03/98/14/559039814.db2.gz NSCGFTQPUIVKJC-GOSISDBHSA-N 1 0 413.953 3.127 50 0 HGAARO CCN(CCOC)C(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082146976 559040842 /nfs/dbraw/zinc/04/08/42/559040842.db2.gz CTXJOOMOTSGYJF-GOSISDBHSA-N 1 0 414.550 3.004 50 0 HGAARO COC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000082155915 559041426 /nfs/dbraw/zinc/04/14/26/559041426.db2.gz JCLQTTLFLWFVIG-QFIPXVFZSA-N 1 0 413.606 3.043 50 0 HGAARO Cc1cc(C)c(S(=O)(=O)NCCNc2nc(N3CCCCC3)cc(C)[nH+]2)c(C)c1 ZINC000082230356 559042571 /nfs/dbraw/zinc/04/25/71/559042571.db2.gz IXXKHUIXFZXMOA-UHFFFAOYSA-N 1 0 417.579 3.091 50 0 HGAARO Cc1nc2cc(OCc3nc(C(=O)NC[C@]4(C)CC[N@@H+](C)C4)co3)ccc2s1 ZINC000091350836 559071244 /nfs/dbraw/zinc/07/12/44/559071244.db2.gz GMDWMXRQZURXTC-FQEVSTJZSA-N 1 0 400.504 3.243 50 0 HGAARO C[NH2+]CC(=O)N1CC(=O)N(c2cccc(-c3ccccc3)c2)C[C@H]1Cc1ccccc1 ZINC000091644777 559072646 /nfs/dbraw/zinc/07/26/46/559072646.db2.gz UEVNEFCSIRXTDQ-XMMPIXPASA-N 1 0 413.521 3.360 50 0 HGAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000095501840 559082458 /nfs/dbraw/zinc/08/24/58/559082458.db2.gz UZKAWFLPQCAMTR-UHFFFAOYSA-N 1 0 401.514 3.244 50 0 HGAARO CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)CC1 ZINC000011527064 559087725 /nfs/dbraw/zinc/08/77/25/559087725.db2.gz DVIVTJHZVYXHKU-KRWDZBQOSA-N 1 0 400.350 3.348 50 0 HGAARO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000005042768 559236101 /nfs/dbraw/zinc/23/61/01/559236101.db2.gz OTKOUSRRUMNYLV-KRWDZBQOSA-N 1 0 418.559 3.414 50 0 HGAARO COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000005215663 560543302 /nfs/dbraw/zinc/54/33/02/560543302.db2.gz XBOFVEGFULKZJD-HXUWFJFHSA-N 1 0 420.465 3.077 50 0 HGAARO COc1ccc(OCCC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000047539408 560892006 /nfs/dbraw/zinc/89/20/06/560892006.db2.gz RQYZXGHTRKOAIL-OALUTQOASA-N 1 0 412.530 3.390 50 0 HGAARO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000048235341 568432829 /nfs/dbraw/zinc/43/28/29/568432829.db2.gz ZRNZAWGGLVDCSL-QFBILLFUSA-N 1 0 414.527 3.203 50 0 HGAARO Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000048287436 568434707 /nfs/dbraw/zinc/43/47/07/568434707.db2.gz LQLCFZFSMRIRQN-UHFFFAOYSA-N 1 0 423.483 3.294 50 0 HGAARO Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)NCCCC[NH+]1CCOCC1 ZINC000048286653 568436160 /nfs/dbraw/zinc/43/61/60/568436160.db2.gz NKHCCPWFYIZQGA-UHFFFAOYSA-N 1 0 416.566 3.291 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)C1 ZINC000048310745 568436770 /nfs/dbraw/zinc/43/67/70/568436770.db2.gz ORQHBCOWTMCPRX-OALUTQOASA-N 1 0 411.590 3.429 50 0 HGAARO COc1cccc([C@H](CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)[NH+](C)C)c1 ZINC000048325243 568438553 /nfs/dbraw/zinc/43/85/53/568438553.db2.gz QYLHHCHSKTVUFS-IBGZPJMESA-N 1 0 418.921 3.472 50 0 HGAARO O=C(Nc1cccc(CN2CCOC2=O)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000048354677 568441111 /nfs/dbraw/zinc/44/11/11/568441111.db2.gz SCQNGIQSJMADDV-UHFFFAOYSA-N 1 0 408.502 3.425 50 0 HGAARO CC(=O)Nc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000048438611 568442826 /nfs/dbraw/zinc/44/28/26/568442826.db2.gz FJLLJUFGHJZDTR-FQEVSTJZSA-N 1 0 401.532 3.069 50 0 HGAARO O=C(NC1CC1)c1ccc(N2CC[C@@H]([NH2+]Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000049420993 568450459 /nfs/dbraw/zinc/45/04/59/568450459.db2.gz RLKXCVGNQKBMRI-GOSISDBHSA-N 1 0 404.436 3.361 50 0 HGAARO CCOc1ccc(S(=O)(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1F ZINC000021696217 568467010 /nfs/dbraw/zinc/46/70/10/568467010.db2.gz VWXAQFPUZMPXDQ-HXUWFJFHSA-N 1 0 419.522 3.297 50 0 HGAARO CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000033028907 568510605 /nfs/dbraw/zinc/51/06/05/568510605.db2.gz XLMIKBBKDPILFR-IBGZPJMESA-N 1 0 423.966 3.059 50 0 HGAARO CN1CCO[C@@H]([C@@H](NC(=O)c2c(Cl)nc3ccccn32)c2ccc(Cl)cc2)C1 ZINC000222051440 568513915 /nfs/dbraw/zinc/51/39/15/568513915.db2.gz OYXYCKZXYSMSHV-WBVHZDCISA-N 1 0 419.312 3.443 50 0 HGAARO C[NH+]1CCN(CCCNC(=O)c2cc3c(s2)c2ccccc2nc3Cl)CC1 ZINC000020286134 568597025 /nfs/dbraw/zinc/59/70/25/568597025.db2.gz IBFAIVSQYKGKCQ-UHFFFAOYSA-N 1 0 402.951 3.470 50 0 HGAARO CCn1ccnc1[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(I)cc1 ZINC000095452951 568615622 /nfs/dbraw/zinc/61/56/22/568615622.db2.gz MMYRFVCGRLJOSE-BBRMVZONSA-N 1 0 411.287 3.223 50 0 HGAARO COc1ccc(NC(=O)NCCCN2CCC([NH+]3CCCCC3)CC2)c(OC)c1 ZINC000020889703 568647717 /nfs/dbraw/zinc/64/77/17/568647717.db2.gz GJMAXOLVLHQJPJ-UHFFFAOYSA-N 1 0 404.555 3.166 50 0 HGAARO CCOc1ccc(-c2cc(NC(=O)CCc3nc(C4=CC[N@H+](C)CC4)no3)on2)cc1 ZINC000020901801 568650113 /nfs/dbraw/zinc/65/01/13/568650113.db2.gz GJHIRLDIZMGYBP-UHFFFAOYSA-N 1 0 423.473 3.414 50 0 HGAARO CCOC(=O)c1c(C)oc2ncnc(NCCC[NH+]3CCN(c4ccccc4)CC3)c21 ZINC000020942013 568653019 /nfs/dbraw/zinc/65/30/19/568653019.db2.gz HPQSEWILLXTPEI-UHFFFAOYSA-N 1 0 423.517 3.332 50 0 HGAARO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000229355881 568713890 /nfs/dbraw/zinc/71/38/90/568713890.db2.gz RCMRYSJGVGIADW-OALUTQOASA-N 1 0 401.551 3.387 50 0 HGAARO Cc1cccc(-n2c(CC(=O)NCC[N@H+]3CCCC[C@@H]3C)c3[nH]cccc-3c2=O)c1 ZINC000096387072 568743858 /nfs/dbraw/zinc/74/38/58/568743858.db2.gz FQVWUWPKZYEKMO-GHTZIAJQSA-N 1 0 406.530 3.472 50 0 HGAARO CCC[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000096398418 568747072 /nfs/dbraw/zinc/74/70/72/568747072.db2.gz SFQBNPKTRYRLAE-SFHVURJKSA-N 1 0 417.619 3.423 50 0 HGAARO c1ccc(CC2CC[NH+](CCCNc3nn4nnnc4c4ccccc43)CC2)cc1 ZINC000021777356 568752342 /nfs/dbraw/zinc/75/23/42/568752342.db2.gz VEQPPWMYBXQVNF-UHFFFAOYSA-N 1 0 401.518 3.429 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000012459838 568756615 /nfs/dbraw/zinc/75/66/15/568756615.db2.gz MKPZLRODPJCRMM-LJQANCHMSA-N 1 0 419.541 3.067 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 ZINC000021886145 568758601 /nfs/dbraw/zinc/75/86/01/568758601.db2.gz HUBBWGXKIROQKD-OAQYLSRUSA-N 1 0 407.562 3.352 50 0 HGAARO CC(C)C[NH+](CCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)CC(C)C ZINC000021888099 568758820 /nfs/dbraw/zinc/75/88/20/568758820.db2.gz XUDIAPDRPHEEIA-UHFFFAOYSA-N 1 0 409.596 3.244 50 0 HGAARO CCC[NH+]1CCN(CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000021934184 568761976 /nfs/dbraw/zinc/76/19/76/568761976.db2.gz FDRPYHUDRHEEBM-UHFFFAOYSA-N 1 0 417.557 3.444 50 0 HGAARO CC1(C)NC(=[NH2+])NC(=N)N1OCCCOc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000096580332 568762434 /nfs/dbraw/zinc/76/24/34/568762434.db2.gz IQKQCGWRXQKWJO-UHFFFAOYSA-N 1 0 401.898 3.389 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000096593070 568763294 /nfs/dbraw/zinc/76/32/94/568763294.db2.gz FEAMZJKALXCEPB-DSTYWPJMSA-N 1 0 405.542 3.358 50 0 HGAARO O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002486600 568775269 /nfs/dbraw/zinc/77/52/69/568775269.db2.gz YDPRVLBFSLWEOG-GFCCVEGCSA-N 1 0 421.448 3.397 50 0 HGAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000002631281 568790915 /nfs/dbraw/zinc/79/09/15/568790915.db2.gz ODDFIUJTAGTZCI-LPHOPBHVSA-N 1 0 420.575 3.030 50 0 HGAARO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000002636161 568792184 /nfs/dbraw/zinc/79/21/84/568792184.db2.gz HDXHCRZOCKMKHP-HNNXBMFYSA-N 1 0 406.479 3.438 50 0 HGAARO COc1ccc(C(=O)Nc2cccc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2)cc1 ZINC000012520457 568841344 /nfs/dbraw/zinc/84/13/44/568841344.db2.gz XKKRWWRAHXXAMU-HXUWFJFHSA-N 1 0 412.453 3.394 50 0 HGAARO C[NH+](C)CCNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000003217438 568847093 /nfs/dbraw/zinc/84/70/93/568847093.db2.gz LAWQVZCGDHUWTN-UHFFFAOYSA-N 1 0 416.330 3.086 50 0 HGAARO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCCCCC1)NC[C@H]1CCCO1 ZINC000299768309 568873966 /nfs/dbraw/zinc/87/39/66/568873966.db2.gz JSCGMXKFXNTMSD-OAQYLSRUSA-N 1 0 424.545 3.194 50 0 HGAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2cccs2)CC1 ZINC000299778106 568874675 /nfs/dbraw/zinc/87/46/75/568874675.db2.gz ODDDNDHSDCLQSV-LJQANCHMSA-N 1 0 404.507 3.158 50 0 HGAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2ccsc2)CC1 ZINC000299796507 568876228 /nfs/dbraw/zinc/87/62/28/568876228.db2.gz OJZKEPSIEDNBEA-HXUWFJFHSA-N 1 0 404.507 3.158 50 0 HGAARO COC(=O)c1cn(C[C@H](c2ccc(OC)cc2)[NH+]2CCCCCC2)cc2c(=O)[nH]nc1-2 ZINC000263588841 568884517 /nfs/dbraw/zinc/88/45/17/568884517.db2.gz ZDMSQJOCFUZPLS-HXUWFJFHSA-N 1 0 424.501 3.089 50 0 HGAARO Cc1sc2nc(CCNC(=O)C3CC[NH+](Cc4ccco4)CC3)[nH]c(=O)c2c1C ZINC000670439718 568887982 /nfs/dbraw/zinc/88/79/82/568887982.db2.gz WURKYCTZLMQPFN-UHFFFAOYSA-N 1 0 414.531 3.178 50 0 HGAARO O=C(Cc1ccc(Br)cc1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000031240630 568920531 /nfs/dbraw/zinc/92/05/31/568920531.db2.gz MMKMXMJDMDHBDE-UHFFFAOYSA-N 1 0 416.363 3.320 50 0 HGAARO CSCC[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000031553107 568927914 /nfs/dbraw/zinc/92/79/14/568927914.db2.gz KRMZBVNPBVAZAI-IRXDYDNUSA-N 1 0 419.547 3.068 50 0 HGAARO CCc1ccc([C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[NH+](C)C)cc1 ZINC000012745562 568931170 /nfs/dbraw/zinc/93/11/70/568931170.db2.gz PILMHKQQMRAWJD-ZEQRLZLVSA-N 1 0 420.557 3.197 50 0 HGAARO CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012756926 568944238 /nfs/dbraw/zinc/94/42/38/568944238.db2.gz PHRRURIIAQUJRF-UHFFFAOYSA-N 1 0 413.493 3.231 50 0 HGAARO COC(=O)c1c2cc(OC)c(OC)cc2c[n+]2c1-c1cc(OC)c(OC)cc1CC2 ZINC000004154596 568947197 /nfs/dbraw/zinc/94/71/97/568947197.db2.gz ILXSFUBOZYTKBK-UHFFFAOYSA-N 1 0 410.446 3.171 50 0 HGAARO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nnnn2n1)[NH+](C)C ZINC000084410242 568948785 /nfs/dbraw/zinc/94/87/85/568948785.db2.gz DDSVCKRCVJBJII-MRXNPFEDSA-N 1 0 408.337 3.419 50 0 HGAARO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000084705645 568956366 /nfs/dbraw/zinc/95/63/66/568956366.db2.gz JFZHDBFDNUFDAW-ROUUACIJSA-N 1 0 414.571 3.319 50 0 HGAARO Cc1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)sc2nc3n(c(=O)c12)CCCC3 ZINC000015675311 568963408 /nfs/dbraw/zinc/96/34/08/568963408.db2.gz OCFNBNLYCHBZAS-UHFFFAOYSA-N 1 0 414.575 3.193 50 0 HGAARO C[N@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCCc2ccccc21 ZINC000007988707 568966005 /nfs/dbraw/zinc/96/60/05/568966005.db2.gz HCVGNTXMOZHHAD-QGZVFWFLSA-N 1 0 405.420 3.168 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CC(C)(C)C3 ZINC000015733756 568983252 /nfs/dbraw/zinc/98/32/52/568983252.db2.gz QSDPKKXFFCGIRV-HNNXBMFYSA-N 1 0 417.575 3.394 50 0 HGAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1cccc(C(F)(F)F)c1 ZINC000011697790 568986510 /nfs/dbraw/zinc/98/65/10/568986510.db2.gz GYOYGDDHULBELF-UHFFFAOYSA-N 1 0 402.380 3.476 50 0 HGAARO COc1ccc(OC)c(-c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)n(C)n2)c1 ZINC000038488958 568997782 /nfs/dbraw/zinc/99/77/82/568997782.db2.gz VHIIYPZNPOLDFF-UHFFFAOYSA-N 1 0 412.534 3.195 50 0 HGAARO CCn1c(C)cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000038545816 568999495 /nfs/dbraw/zinc/99/94/95/568999495.db2.gz KAICYADTURPSCR-HSZRJFAPSA-N 1 0 404.514 3.189 50 0 HGAARO COc1ccc2c(c1)C[C@@H](C(=O)NCC1CC[NH+](Cc3ccccc3F)CC1)CO2 ZINC000015786300 569007529 /nfs/dbraw/zinc/00/75/29/569007529.db2.gz WDJUKVIKPJKLCT-HXUWFJFHSA-N 1 0 412.505 3.414 50 0 HGAARO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1CCO ZINC000104380751 569008557 /nfs/dbraw/zinc/00/85/57/569008557.db2.gz IRFVBAPTDHWPCZ-XMMPIXPASA-N 1 0 420.557 3.340 50 0 HGAARO Cc1ccc(CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)C[C@H]2CCO)o1 ZINC000104629421 569009007 /nfs/dbraw/zinc/00/90/07/569009007.db2.gz NNXCCFDNVDSUDX-GOSISDBHSA-N 1 0 416.909 3.360 50 0 HGAARO C[C@H]1c2cccn2CCN1CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000012846277 569010103 /nfs/dbraw/zinc/01/01/03/569010103.db2.gz XWPWCXIVKYSEMX-FQEVSTJZSA-N 1 0 402.542 3.362 50 0 HGAARO Cc1cccc2c(=O)n(CCCC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cnc12 ZINC000012908845 569021711 /nfs/dbraw/zinc/02/17/11/569021711.db2.gz YBONNRKAANTRCS-QFIPXVFZSA-N 1 0 418.541 3.438 50 0 HGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000015942062 569024194 /nfs/dbraw/zinc/02/41/94/569024194.db2.gz NTEYKFUGBCPPGP-MOPGFXCFSA-N 1 0 401.551 3.352 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)c1cnc2ccc(C)cn2c1=O)c1ccccc1Cl ZINC000012952430 569029710 /nfs/dbraw/zinc/02/97/10/569029710.db2.gz BLQXTWNJNVESSK-IBGZPJMESA-N 1 0 412.921 3.469 50 0 HGAARO Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCC[NH+]4CCCCC4)C3)nn2)c1 ZINC000035398218 569035111 /nfs/dbraw/zinc/03/51/11/569035111.db2.gz VEGWSYTYUQBMON-NRFANRHFSA-N 1 0 407.562 3.271 50 0 HGAARO Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)NCC[NH+]4CCCCC4)C3)nc2)cc1 ZINC000035455128 569037899 /nfs/dbraw/zinc/03/78/99/569037899.db2.gz SDFCVQUYRXUHDS-OAQYLSRUSA-N 1 0 407.562 3.271 50 0 HGAARO CCS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000462257835 569052905 /nfs/dbraw/zinc/05/29/05/569052905.db2.gz JPYYPXAXVLDHOX-UZLBHIALSA-N 1 0 401.532 3.122 50 0 HGAARO COc1ccc([C@@H]2Sc3ccccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000000621893 569060215 /nfs/dbraw/zinc/06/02/15/569060215.db2.gz HSUGRBWQSSZJOP-RTWAWAEBSA-N 1 0 414.527 3.369 50 0 biogenic,fda HGAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4[nH]cc(C)c(=O)c4C)C3)C2=O)c1 ZINC000426442866 569073028 /nfs/dbraw/zinc/07/30/28/569073028.db2.gz HUTRPCBUPCJUPR-XMMPIXPASA-N 1 0 409.530 3.015 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)NCC[C@H]3CCC[N@H+]3C)csc2C1 ZINC000426691370 569073948 /nfs/dbraw/zinc/07/39/48/569073948.db2.gz YIBZPXQYWIQGBJ-MRXNPFEDSA-N 1 0 402.564 3.125 50 0 HGAARO Cc1cccc(-c2nc3cnccn3c2NCCC(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000064758916 569090485 /nfs/dbraw/zinc/09/04/85/569090485.db2.gz PGWGPHAFULGBFE-UHFFFAOYSA-N 1 0 420.561 3.307 50 0 HGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH2+]CCc3ccccc3)cc21 ZINC000006732824 569103944 /nfs/dbraw/zinc/10/39/44/569103944.db2.gz BNIMQLNSPYAJEB-LJQANCHMSA-N 1 0 410.514 3.235 50 0 HGAARO C[NH+](C)C1(CNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)CCCCC1 ZINC000006784578 569120986 /nfs/dbraw/zinc/12/09/86/569120986.db2.gz DXAMGWWZTJMKHQ-UHFFFAOYSA-N 1 0 405.498 3.482 50 0 HGAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(Cl)c(-n3nnc4cccnc43)c2)C1 ZINC000064925513 569122834 /nfs/dbraw/zinc/12/28/34/569122834.db2.gz SXOQGSCBANSNLS-OAHLLOKOSA-N 1 0 412.925 3.321 50 0 HGAARO C[N@H+](CCCNC(=O)CCCn1c(=O)c2cccn2c2cccnc21)C1CCCCC1 ZINC000006797603 569125302 /nfs/dbraw/zinc/12/53/02/569125302.db2.gz OHPLCROIROOOHX-UHFFFAOYSA-N 1 0 423.561 3.200 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2C)CC1 ZINC000036344945 569143085 /nfs/dbraw/zinc/14/30/85/569143085.db2.gz SMZWQLXYOFPBBS-DEOSSOPVSA-N 1 0 420.557 3.319 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccccc2OC)CC1 ZINC000036345313 569143168 /nfs/dbraw/zinc/14/31/68/569143168.db2.gz GPDVROKZSGNCFB-QHCPKHFHSA-N 1 0 420.557 3.319 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)C1 ZINC000036390721 569166062 /nfs/dbraw/zinc/16/60/62/569166062.db2.gz RBHHMAKSCQBDPW-INIZCTEOSA-N 1 0 421.463 3.415 50 0 HGAARO Cc1ccc(C(=O)Nc2nccnc2C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000065228576 569200748 /nfs/dbraw/zinc/20/07/48/569200748.db2.gz VNHREWBMZPSORX-UHFFFAOYSA-N 1 0 407.518 3.128 50 0 HGAARO COc1ccc(OC[C@H](O)C[NH2+]CCOc2ccccc2OC)c(C(C)(C)C)c1 ZINC000007015391 569200832 /nfs/dbraw/zinc/20/08/32/569200832.db2.gz AVSREIAJBVOXTD-QGZVFWFLSA-N 1 0 403.519 3.410 50 0 HGAARO COc1cccc(CNC(=O)c2cccnc2N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065255810 569208076 /nfs/dbraw/zinc/20/80/76/569208076.db2.gz DPQJJBKQONXVLW-QFIPXVFZSA-N 1 0 402.498 3.171 50 0 HGAARO O=C(C[NH+]1CCC(Cn2cnc3ccccc32)CC1)N1CCN(c2ccccc2)CC1 ZINC000036708865 569223839 /nfs/dbraw/zinc/22/38/39/569223839.db2.gz XIYNRQLTRCEKON-UHFFFAOYSA-N 1 0 417.557 3.097 50 0 HGAARO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000065497070 569232352 /nfs/dbraw/zinc/23/23/52/569232352.db2.gz SSNHPGYRRZDWGI-RDJZCZTQSA-N 1 0 409.372 3.059 50 0 HGAARO COCC[N@@H+]1CC[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000065505299 569232964 /nfs/dbraw/zinc/23/29/64/569232964.db2.gz HVCHBEIWSQJAKX-MRXNPFEDSA-N 1 0 409.368 3.345 50 0 HGAARO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000170593835 569241303 /nfs/dbraw/zinc/24/13/03/569241303.db2.gz BKLOZQFEVMFPAZ-DLBZAZTESA-N 1 0 424.545 3.075 50 0 HGAARO Cc1sc2ncnc(SCCC(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)c2c1C ZINC000170602680 569243781 /nfs/dbraw/zinc/24/37/81/569243781.db2.gz NIHGVKGJGYJEOY-CYBMUJFWSA-N 1 0 422.620 3.094 50 0 HGAARO CC[NH+](CC)CCN(CCC(F)(F)F)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000089968984 569270300 /nfs/dbraw/zinc/27/03/00/569270300.db2.gz HWXRBWSMSVEREI-UHFFFAOYSA-N 1 0 422.455 3.209 50 0 HGAARO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000017317430 569286718 /nfs/dbraw/zinc/28/67/18/569286718.db2.gz BEFZKGUPDFLJFE-UHFFFAOYSA-N 1 0 402.560 3.295 50 0 HGAARO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252467350 569287120 /nfs/dbraw/zinc/28/71/20/569287120.db2.gz FLAOMGQMEJREFG-AVRDEDQJSA-N 1 0 413.587 3.422 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(I)c1)Cc1ccccc1 ZINC000007683614 569300544 /nfs/dbraw/zinc/30/05/44/569300544.db2.gz CVYWFTVEPSYLII-QGZVFWFLSA-N 1 0 408.283 3.194 50 0 HGAARO C[C@H]([NH2+]Cc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000007780422 569309629 /nfs/dbraw/zinc/30/96/29/569309629.db2.gz XYSVEYIZQRITKE-HNNXBMFYSA-N 1 0 407.561 3.040 50 0 HGAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000002232308 569319936 /nfs/dbraw/zinc/31/99/36/569319936.db2.gz MLICOSSRVQCELY-FXKZBUDASA-N 1 0 421.884 3.080 50 0 HGAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)CC1 ZINC000581819825 569320864 /nfs/dbraw/zinc/32/08/64/569320864.db2.gz NDWGUKBXUHQDSO-QHCPKHFHSA-N 1 0 413.606 3.185 50 0 HGAARO COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000002439941 569400256 /nfs/dbraw/zinc/40/02/56/569400256.db2.gz QMTZAOHVZIBENM-NRFANRHFSA-N 1 0 422.481 3.307 50 0 HGAARO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CCSC1 ZINC000079015204 569423778 /nfs/dbraw/zinc/42/37/78/569423778.db2.gz YLOCPYQYVGQEIJ-GOSISDBHSA-N 1 0 415.028 3.452 50 0 HGAARO C[C@@H]1C[N@@H+](CCCCNC(=O)C2(c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000079050756 569425544 /nfs/dbraw/zinc/42/55/44/569425544.db2.gz KKBNLXVHYOBVHM-IYBDPMFKSA-N 1 0 409.368 3.486 50 0 HGAARO C[C@@H]1C[NH+](CCCCNC(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000079050767 569425550 /nfs/dbraw/zinc/42/55/50/569425550.db2.gz KKBNLXVHYOBVHM-HZPDHXFCSA-N 1 0 409.368 3.486 50 0 HGAARO CC[NH+]1CCN(c2ccccc2NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000039980486 571136038 /nfs/dbraw/zinc/13/60/38/571136038.db2.gz VNNVHJAAUDGLLK-UHFFFAOYSA-N 1 0 416.566 3.414 50 0 HGAARO COc1cccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccsc3)CC2)[NH+](C)C)c1 ZINC000040062714 571147583 /nfs/dbraw/zinc/14/75/83/571147583.db2.gz LYEZSZXQFGYAFU-HXUWFJFHSA-N 1 0 415.559 3.028 50 0 HGAARO O=C(Cc1ccccc1)N1CCC[C@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000040073659 571153949 /nfs/dbraw/zinc/15/39/49/571153949.db2.gz VZYAGPDZRUHWAF-SFTDATJTSA-N 1 0 409.530 3.014 50 0 HGAARO CSc1ncc(Cl)c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000040087459 571157874 /nfs/dbraw/zinc/15/78/74/571157874.db2.gz JOEWSSGDVQGQRG-KBPBESRZSA-N 1 0 420.966 3.391 50 0 HGAARO CSc1ncc(Cl)c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000040087460 571157908 /nfs/dbraw/zinc/15/79/08/571157908.db2.gz JOEWSSGDVQGQRG-ZIAGYGMSSA-N 1 0 420.966 3.391 50 0 HGAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCN(Cc2cccs2)CC1 ZINC000040103809 571164428 /nfs/dbraw/zinc/16/44/28/571164428.db2.gz LZRXOAQIXNQQSO-UHFFFAOYSA-N 1 0 413.591 3.158 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000040112276 571170566 /nfs/dbraw/zinc/17/05/66/571170566.db2.gz GRFSGJWVEWJYIT-INIZCTEOSA-N 1 0 405.498 3.074 50 0 HGAARO CC1CC[NH+](CCCCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1 ZINC000040113347 571171353 /nfs/dbraw/zinc/17/13/53/571171353.db2.gz MEMMRXRVQFTFES-UHFFFAOYSA-N 1 0 421.607 3.149 50 0 HGAARO COCC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)NC3CCCCCC3)c2C)C1 ZINC000069815395 571245604 /nfs/dbraw/zinc/24/56/04/571245604.db2.gz DPNWSKXQWZHRKY-UHFFFAOYSA-N 1 0 411.550 3.033 50 0 HGAARO CCOc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009328359 571248373 /nfs/dbraw/zinc/24/83/73/571248373.db2.gz ZYFLZKYVSUGSCD-NRFANRHFSA-N 1 0 422.481 3.307 50 0 HGAARO CCOc1cccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000009328348 571248408 /nfs/dbraw/zinc/24/84/08/571248408.db2.gz KSRLFTLCGFZYDI-OAQYLSRUSA-N 1 0 422.481 3.307 50 0 HGAARO COC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C1CC[NH2+]CC1 ZINC000009835364 571287741 /nfs/dbraw/zinc/28/77/41/571287741.db2.gz XQYBKJLYHLOMLF-UHFFFAOYSA-N 1 0 404.470 3.378 50 0 HGAARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)c(OC)c1 ZINC000010333577 571300595 /nfs/dbraw/zinc/30/05/95/571300595.db2.gz SLFYQQYHFCJSMZ-NRFANRHFSA-N 1 0 421.497 3.215 50 0 HGAARO CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[N@H+]2CCCC[C@@H]2CC)C1=O ZINC000004102054 132271292 /nfs/dbraw/zinc/27/12/92/132271292.db2.gz SDAAHTTYDIXUBO-AZUAARDMSA-N 1 0 401.551 3.270 50 0 HGAARO CCC(C)(C)c1ccc2c(c1)N(CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C(=O)CO2 ZINC000004454931 132277054 /nfs/dbraw/zinc/27/70/54/132277054.db2.gz KMTAAMURNONASN-SFHVURJKSA-N 1 0 415.578 3.480 50 0 HGAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000005689708 132307551 /nfs/dbraw/zinc/30/75/51/132307551.db2.gz WZUYWTCRCZFXRN-OAHLLOKOSA-N 1 0 410.543 3.432 50 0 HGAARO Cc1ccc2c(c1)N(CCCC(=O)NCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)CO2 ZINC000006751258 132314870 /nfs/dbraw/zinc/31/48/70/132314870.db2.gz JETPTBUZZISJSY-OALUTQOASA-N 1 0 401.551 3.270 50 0 HGAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@@H+]1CCc3ccccc3C1)CCO2 ZINC000006798180 132317161 /nfs/dbraw/zinc/31/71/61/132317161.db2.gz ZOIDFWBQAISPCJ-UHFFFAOYSA-N 1 0 421.541 3.065 50 0 HGAARO C[C@H]1CN(C(=O)CCC(=O)NCCC[N@H+](C)Cc2ccccc2)c2ccccc2O1 ZINC000006798318 132317243 /nfs/dbraw/zinc/31/72/43/132317243.db2.gz BLVYWJDVOUPWFM-IBGZPJMESA-N 1 0 409.530 3.219 50 0 HGAARO O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012785712 132367296 /nfs/dbraw/zinc/36/72/96/132367296.db2.gz UMGWWBKCTIPNQN-UHFFFAOYSA-N 1 0 402.483 3.111 50 0 HGAARO Cc1ccc(CC[NH2+]C2CCN(c3ccc(C(=O)N4CCC[C@H](O)C4)cc3)CC2)cc1 ZINC000014885228 132460571 /nfs/dbraw/zinc/46/05/71/132460571.db2.gz IAOGWPMPQPCBKG-VWLOTQADSA-N 1 0 421.585 3.393 50 0 HGAARO CC[NH+](CC)CCCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000021872378 132473769 /nfs/dbraw/zinc/47/37/69/132473769.db2.gz GQTRYFXQKKKESV-UHFFFAOYSA-N 1 0 412.559 3.182 50 0 HGAARO CCN1C[C@@H](C[N@H+](C)CCCCN2C(=O)c3ccccc3C2=O)Oc2ccccc21 ZINC000024242052 132483053 /nfs/dbraw/zinc/48/30/53/132483053.db2.gz UWYIVKCWRLPDGQ-GOSISDBHSA-N 1 0 407.514 3.282 50 0 HGAARO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000032925420 520698624 /nfs/dbraw/zinc/69/86/24/520698624.db2.gz JRXUQARCAPGDHD-UHFFFAOYSA-N 1 0 404.532 3.088 50 0 HGAARO CC[C@H](CNC(=O)C(=O)Nc1ccccc1N1CCc2ccccc21)[NH+]1CCCC1 ZINC000041594152 522172533 /nfs/dbraw/zinc/17/25/33/522172533.db2.gz IDEOVMSPCOZPCZ-LJQANCHMSA-N 1 0 406.530 3.310 50 0 HGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1ccc2c(c1)CCO2 ZINC000263585338 523731308 /nfs/dbraw/zinc/73/13/08/523731308.db2.gz HOJYAUPEVDWDBN-FCHUYYIVSA-N 1 0 400.563 3.294 50 0 biogenic HGAARO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000032951869 524247185 /nfs/dbraw/zinc/24/71/85/524247185.db2.gz OVXGENDOIWUSQX-UHFFFAOYSA-N 1 0 400.972 3.481 50 0 HGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Cn3c4ccccc4nc(C)c3=O)CC2)cc1 ZINC000032974621 524436993 /nfs/dbraw/zinc/43/69/93/524436993.db2.gz OMWBMEPMWVSYHI-UHFFFAOYSA-N 1 0 418.541 3.042 50 0 HGAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)CC1 ZINC000020540456 524562739 /nfs/dbraw/zinc/56/27/39/524562739.db2.gz UCPAGMAKAFZZKN-SFHVURJKSA-N 1 0 415.607 3.004 50 0 HGAARO Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000041252820 525745133 /nfs/dbraw/zinc/74/51/33/525745133.db2.gz RTTIOKFJEWMQAY-UHFFFAOYSA-N 1 0 408.546 3.086 50 0 HGAARO CSc1ccc(N2C[C@@H](C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)CC2=O)cc1 ZINC000032730848 526022563 /nfs/dbraw/zinc/02/25/63/526022563.db2.gz ZVOWKENQCALEFI-OXJNMPFZSA-N 1 0 415.534 3.320 50 0 HGAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CCCN(c2ncccn2)C1 ZINC000032761048 526491479 /nfs/dbraw/zinc/49/14/79/526491479.db2.gz HEEBDMZPIRANIR-PXNSSMCTSA-N 1 0 413.953 3.300 50 0 HGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCN(C(=O)c2ccsc2)CC1 ZINC000032772367 526580685 /nfs/dbraw/zinc/58/06/85/526580685.db2.gz ZGBFHXNOBXQWLQ-GOSISDBHSA-N 1 0 401.532 3.147 50 0 HGAARO CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000004621987 534977786 /nfs/dbraw/zinc/97/77/86/534977786.db2.gz RYOVMKAABOMAHG-UHFFFAOYSA-N 1 0 412.559 3.352 50 0 HGAARO COc1cccc(N2CC[N@H+](CCc3cc(OC)c(OC)c(OC)c3)C[C@@H]2C)c1 ZINC000005336284 537123491 /nfs/dbraw/zinc/12/34/91/537123491.db2.gz MIQBLSKRKGUUOS-KRWDZBQOSA-N 1 0 400.519 3.474 50 0 HGAARO O=C1C[C@H]([NH+]2CCCCCCC2)C(=O)N1c1ccc(I)cc1 ZINC000000691894 557060568 /nfs/dbraw/zinc/06/05/68/557060568.db2.gz HWGLPTMGGIWZIY-HNNXBMFYSA-N 1 0 412.271 3.189 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C[C@H](O)C[NH+]2CCCCC2)c2cccc(C)c2)cc1 ZINC000000864219 557105100 /nfs/dbraw/zinc/10/51/00/557105100.db2.gz OICAJIABXGHWKA-OAQYLSRUSA-N 1 0 402.560 3.346 50 0 HGAARO O=C(Nc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)nc1)c1ccc(F)cc1 ZINC000034667917 557361278 /nfs/dbraw/zinc/36/12/78/557361278.db2.gz NIFBNHSMVQQPSM-JOCHJYFZSA-N 1 0 420.488 3.329 50 0 HGAARO Cc1ccccc1N1CCN(Cc2ccc(C(=O)NCC[NH+]3CCCCC3)o2)CC1 ZINC000034684185 557387342 /nfs/dbraw/zinc/38/73/42/557387342.db2.gz NXOGUYHVHQYNRP-UHFFFAOYSA-N 1 0 410.562 3.126 50 0 HGAARO CC(C)CNC(=O)C1CC[NH+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000034911961 557478654 /nfs/dbraw/zinc/47/86/54/557478654.db2.gz FYFRWHDLJKLZKZ-UHFFFAOYSA-N 1 0 405.970 3.429 50 0 HGAARO CCCn1nc(C(=O)NCC[NH+]2CCCCC2)cc1-c1ccc(OC)cc1OC ZINC000034902362 557481470 /nfs/dbraw/zinc/48/14/70/557481470.db2.gz XBMWFPSXKZMECQ-UHFFFAOYSA-N 1 0 400.523 3.193 50 0 HGAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)c2ccc(OC)c(OC)c2)c1=N ZINC000004599217 557571015 /nfs/dbraw/zinc/57/10/15/557571015.db2.gz IJVTWTIBZLNBPS-HXUWFJFHSA-N 1 0 412.534 3.015 50 0 HGAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 ZINC000006662801 557712950 /nfs/dbraw/zinc/71/29/50/557712950.db2.gz AKURUVQMKBSIBU-OAQYLSRUSA-N 1 0 407.470 3.039 50 0 HGAARO C[NH+]1CCN([C@H](CNC(=O)c2ccc(Br)cc2)c2ccc(F)cc2)CC1 ZINC000022794830 557822273 /nfs/dbraw/zinc/82/22/73/557822273.db2.gz SCYHBWAPBOOEDU-LJQANCHMSA-N 1 0 420.326 3.307 50 0 HGAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)CC1 ZINC000022795517 557822753 /nfs/dbraw/zinc/82/27/53/557822753.db2.gz YJHNIHFQZFJGAA-UHFFFAOYSA-N 1 0 406.530 3.176 50 0 HGAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)COc4ccc(C)cc4)ccc3n2C)CC1 ZINC000022804371 557824752 /nfs/dbraw/zinc/82/47/52/557824752.db2.gz BPCRCYCAIDNDKN-UHFFFAOYSA-N 1 0 421.545 3.037 50 0 HGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)CCn1nccc1C ZINC000011661279 558265343 /nfs/dbraw/zinc/26/53/43/558265343.db2.gz KODHCJJSGNDJFP-UHFFFAOYSA-N 1 0 416.541 3.108 50 0 HGAARO COCC(=O)NC[C@H]1CCC2(CC[NH+](Cc3c(OC)ccc4ccccc43)CC2)O1 ZINC000011786383 558276246 /nfs/dbraw/zinc/27/62/46/558276246.db2.gz NRTYATDCTNZDHB-LJQANCHMSA-N 1 0 412.530 3.125 50 0 HGAARO COc1cc(C(=O)N2CCC(CO)CC2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011815186 558279338 /nfs/dbraw/zinc/27/93/38/558279338.db2.gz BYKNIRNQTLKTIA-UHFFFAOYSA-N 1 0 416.562 3.326 50 0 HGAARO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3ccc(F)c(OC)c3)CC2)c1 ZINC000011816495 558279817 /nfs/dbraw/zinc/27/98/17/558279817.db2.gz HSCMOUSPNZCEMP-UHFFFAOYSA-N 1 0 416.493 3.254 50 0 HGAARO COc1cccc(C[NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)c1OC ZINC000011842409 558287658 /nfs/dbraw/zinc/28/76/58/558287658.db2.gz FRLYTHVGWDGBOT-UHFFFAOYSA-N 1 0 421.501 3.385 50 0 HGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CCCCC1=O ZINC000011878782 558293331 /nfs/dbraw/zinc/29/33/31/558293331.db2.gz TVZUQEMBMGSTET-FQEVSTJZSA-N 1 0 419.997 3.456 50 0 HGAARO CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC000011879441 558293842 /nfs/dbraw/zinc/29/38/42/558293842.db2.gz DBMVNIWGBFDOIP-OAQYLSRUSA-N 1 0 400.544 3.217 50 0 HGAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2ncc(C)c(-c3ccc(F)cc3)n2)c1C ZINC000011882244 558295524 /nfs/dbraw/zinc/29/55/24/558295524.db2.gz JYCHRXLDLPDGNL-UHFFFAOYSA-N 1 0 424.524 3.499 50 0 HGAARO C[C@]1(C2CC[NH+](Cc3ccccc3)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000011966525 558304294 /nfs/dbraw/zinc/30/42/94/558304294.db2.gz SYJZHSCGDOCLOJ-RUZDIDTESA-N 1 0 403.526 3.377 50 0 HGAARO O=C1C[C@@H](c2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000020218667 558348439 /nfs/dbraw/zinc/34/84/39/558348439.db2.gz YACGSFQFKLDZPH-VXSCBNMQSA-N 1 0 420.900 3.302 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3cnn(C(C)C)c3)C[C@@H]2CCO)c(C)c1C ZINC000020254700 558351887 /nfs/dbraw/zinc/35/18/87/558351887.db2.gz BORLEMRNDIWRSE-QFIPXVFZSA-N 1 0 400.567 3.158 50 0 HGAARO COc1ccc2c(c1)C=C(CN1CC[N@H+](Cc3cccs3)[C@@H](CCO)C1)CO2 ZINC000020294041 558354241 /nfs/dbraw/zinc/35/42/41/558354241.db2.gz HXVQVSFPQOYDTP-IBGZPJMESA-N 1 0 400.544 3.101 50 0 HGAARO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000020391176 558359031 /nfs/dbraw/zinc/35/90/31/558359031.db2.gz UPPKYXOMLLZLLA-UHFFFAOYSA-N 1 0 412.534 3.152 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)cc1C ZINC000020388198 558359098 /nfs/dbraw/zinc/35/90/98/558359098.db2.gz QKGWCPKGGHPHSH-QHCPKHFHSA-N 1 0 420.557 3.463 50 0 HGAARO O=C(CCc1cn[nH]c1)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000020448908 558364169 /nfs/dbraw/zinc/36/41/69/558364169.db2.gz PJTJPKSXVLHSPD-GOSISDBHSA-N 1 0 402.489 3.381 50 0 HGAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000020452632 558366762 /nfs/dbraw/zinc/36/67/62/558366762.db2.gz XFULBQISULUWKO-FQEVSTJZSA-N 1 0 403.571 3.196 50 0 HGAARO Cc1cccc(C)c1OCCOC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020500417 558380661 /nfs/dbraw/zinc/38/06/61/558380661.db2.gz XMTKIQRGFKPZID-JOCHJYFZSA-N 1 0 402.510 3.021 50 0 HGAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000012431263 558405766 /nfs/dbraw/zinc/40/57/66/558405766.db2.gz FPORDZIAUBVJRW-KRWDZBQOSA-N 1 0 417.506 3.410 50 0 HGAARO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](Cc2cccs2)CC3)CC1 ZINC000012453837 558416620 /nfs/dbraw/zinc/41/66/20/558416620.db2.gz XQGZXVUCIHKJOB-SFHVURJKSA-N 1 0 405.564 3.087 50 0 HGAARO CCc1c(C(=O)N(C)Cc2nc(C)cs2)c(=O)cc(C)n1C[C@@H]1CCC[N@H+]1CC ZINC000012454979 558416803 /nfs/dbraw/zinc/41/68/03/558416803.db2.gz ORUROSIGRLQQGM-KRWDZBQOSA-N 1 0 416.591 3.241 50 0 HGAARO CC(C)[C@H]1C[N@H+](C)CCN1Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000020863845 558417915 /nfs/dbraw/zinc/41/79/15/558417915.db2.gz XBLDVJXOGHROOX-OAQYLSRUSA-N 1 0 419.573 3.379 50 0 HGAARO COC(=O)CC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)CC[C@H]1N1CCOCC1 ZINC000020906177 558421135 /nfs/dbraw/zinc/42/11/35/558421135.db2.gz KBMOGDOPPSXWBI-PKOBYXMFSA-N 1 0 414.468 3.181 50 0 HGAARO Cc1cc(C)n(-c2ccc(F)cc2CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)n1 ZINC000020994651 558426616 /nfs/dbraw/zinc/42/66/16/558426616.db2.gz BRTTXYSXBFTPOW-QFIPXVFZSA-N 1 0 400.542 3.439 50 0 HGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CC(F)(F)F)C3)C2)c1OC ZINC000012585768 558433827 /nfs/dbraw/zinc/43/38/27/558433827.db2.gz ZRXCPARCNJKGSN-LJQANCHMSA-N 1 0 400.441 3.471 50 0 HGAARO Cc1ccsc1CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012715633 558454873 /nfs/dbraw/zinc/45/48/73/558454873.db2.gz BVAQZWMCOYRWRH-GOSISDBHSA-N 1 0 403.592 3.128 50 0 HGAARO O=C(NCc1ccco1)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012715962 558455145 /nfs/dbraw/zinc/45/51/45/558455145.db2.gz UFVCLZLCMWWMQO-KRWDZBQOSA-N 1 0 408.502 3.418 50 0 HGAARO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)Nc1ccccc1OC(F)F ZINC000022025097 558458749 /nfs/dbraw/zinc/45/87/49/558458749.db2.gz TZMVYBVXWZDFQZ-MRXNPFEDSA-N 1 0 419.472 3.237 50 0 HGAARO O=C(c1cnccn1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012750376 558458852 /nfs/dbraw/zinc/45/88/52/558458852.db2.gz MNXYPGWPSMYDEM-FQEVSTJZSA-N 1 0 412.509 3.149 50 0 HGAARO Cc1ccc(-c2nnc(CCC(=O)NCC3([NH+]4CCOCC4)CCCCC3)o2)cc1 ZINC000012791687 558465969 /nfs/dbraw/zinc/46/59/69/558465969.db2.gz WFJJMNHILHAXLE-UHFFFAOYSA-N 1 0 412.534 3.129 50 0 HGAARO FC(F)(F)c1ccc(C[N@@H+]2CCCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000012805685 558473457 /nfs/dbraw/zinc/47/34/57/558473457.db2.gz IMOTZGQNYFMQHC-UHFFFAOYSA-N 1 0 402.424 3.393 50 0 HGAARO COc1ccccc1[C@H](CNC(=O)c1nn(-c2ccccc2)nc1C)[NH+]1CCCC1 ZINC000022679678 558504119 /nfs/dbraw/zinc/50/41/19/558504119.db2.gz REWWHWRFBPWYFY-FQEVSTJZSA-N 1 0 405.502 3.151 50 0 HGAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)CC1 ZINC000022851486 558516890 /nfs/dbraw/zinc/51/68/90/558516890.db2.gz YWCTUMKBHZZPFX-HXUWFJFHSA-N 1 0 419.573 3.369 50 0 HGAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000022911928 558519749 /nfs/dbraw/zinc/51/97/49/558519749.db2.gz XNGOOLOWTQMROZ-UHFFFAOYSA-N 1 0 402.336 3.248 50 0 HGAARO CCc1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000013545295 558537913 /nfs/dbraw/zinc/53/79/13/558537913.db2.gz YBFZLHSAEWNIAJ-FQEVSTJZSA-N 1 0 402.560 3.448 50 0 HGAARO CCCn1ncc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1C ZINC000023372986 558553070 /nfs/dbraw/zinc/55/30/70/558553070.db2.gz IILSZUWZPKMJGG-QHCPKHFHSA-N 1 0 414.594 3.296 50 0 HGAARO CC[NH+](CC)CCN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 ZINC000023375286 558554728 /nfs/dbraw/zinc/55/47/28/558554728.db2.gz LTFOZBMIRAVENO-UHFFFAOYSA-N 1 0 424.655 3.421 50 0 HGAARO C[NH+](C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2c(cccc2F)s1 ZINC000004478814 558601463 /nfs/dbraw/zinc/60/14/63/558601463.db2.gz WEKQMVJWYQSFMX-INIZCTEOSA-N 1 0 401.463 3.170 50 0 HGAARO C[N@H+](CCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000014251511 558650086 /nfs/dbraw/zinc/65/00/86/558650086.db2.gz XSFZQFKIAXSQIO-UHFFFAOYSA-N 1 0 411.521 3.316 50 0 HGAARO CCC[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014539745 558659448 /nfs/dbraw/zinc/65/94/48/558659448.db2.gz XHAADQICVWNDFL-UHFFFAOYSA-N 1 0 406.530 3.333 50 0 HGAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014742032 558667402 /nfs/dbraw/zinc/66/74/02/558667402.db2.gz XNIXNMXQTGFJFB-UHFFFAOYSA-N 1 0 423.513 3.220 50 0 HGAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCCc1ccccc1)C2 ZINC000014754366 558671527 /nfs/dbraw/zinc/67/15/27/558671527.db2.gz PMQNWSRXAPXMAZ-NRFANRHFSA-N 1 0 424.589 3.091 50 0 HGAARO CC1CC[NH+]([C@H](CNC(=O)CCn2cnc3ccccc3c2=O)c2cccs2)CC1 ZINC000027574900 558675524 /nfs/dbraw/zinc/67/55/24/558675524.db2.gz WKFUDRNZGGTMMH-HXUWFJFHSA-N 1 0 424.570 3.438 50 0 HGAARO CC(C)C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014990556 558694294 /nfs/dbraw/zinc/69/42/94/558694294.db2.gz MLEGMBISNWCRQK-QGZVFWFLSA-N 1 0 407.518 3.430 50 0 HGAARO Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]C2CCCCCC2)C4)cn1 ZINC000015068634 558711243 /nfs/dbraw/zinc/71/12/43/558711243.db2.gz SQHFVZGCYRWUQZ-KRWDZBQOSA-N 1 0 411.575 3.410 50 0 HGAARO O=C(CCc1cnccn1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000015077344 558717100 /nfs/dbraw/zinc/71/71/00/558717100.db2.gz NFJWDBDWVHJKKG-QFIPXVFZSA-N 1 0 400.567 3.071 50 0 HGAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030363060 558729252 /nfs/dbraw/zinc/72/92/52/558729252.db2.gz PVELFWISLGOPJC-NRFANRHFSA-N 1 0 413.949 3.269 50 0 HGAARO CC(C)[C@H](CNC(=O)CCc1nc(-c2ccccn2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000030637593 558734814 /nfs/dbraw/zinc/73/48/14/558734814.db2.gz BJHVXGXFFRVLKM-NRFANRHFSA-N 1 0 419.529 3.263 50 0 HGAARO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)C1 ZINC000072305277 558760014 /nfs/dbraw/zinc/76/00/14/558760014.db2.gz MFSCUYWPZBWDQR-LJQANCHMSA-N 1 0 408.546 3.459 50 0 HGAARO O=C(NCc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000072305648 558761140 /nfs/dbraw/zinc/76/11/40/558761140.db2.gz JGHZNRZWHFLMHP-JOCHJYFZSA-N 1 0 418.497 3.376 50 0 HGAARO CSc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c1 ZINC000033326778 558766947 /nfs/dbraw/zinc/76/69/47/558766947.db2.gz HIPDOQMEEOIUFI-UHFFFAOYSA-N 1 0 412.563 3.461 50 0 HGAARO C[NH+](C)CC1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)CC1 ZINC000072311450 558784020 /nfs/dbraw/zinc/78/40/20/558784020.db2.gz JJHWOSGJLBPYPI-UHFFFAOYSA-N 1 0 417.456 3.337 50 0 HGAARO CCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1 ZINC000035421890 558791532 /nfs/dbraw/zinc/79/15/32/558791532.db2.gz VROPZMBNZDTCFK-HXUWFJFHSA-N 1 0 423.557 3.153 50 0 HGAARO COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000016752087 558804994 /nfs/dbraw/zinc/80/49/94/558804994.db2.gz IYEDMHPOLNRHJP-NRFANRHFSA-N 1 0 422.481 3.313 50 0 HGAARO COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016752961 558805233 /nfs/dbraw/zinc/80/52/33/558805233.db2.gz AEDICOFGHJTWSP-HXUWFJFHSA-N 1 0 410.445 3.438 50 0 HGAARO CC(C)=CC[N@@H+]1CCN(Cc2cc(F)ccc2-n2nc(C)cc2C)C[C@H]1CCO ZINC000038149394 558810997 /nfs/dbraw/zinc/81/09/97/558810997.db2.gz ZCALLCIWRUSRJN-JOCHJYFZSA-N 1 0 400.542 3.463 50 0 HGAARO Cc1cc2nc3sc(C(=O)NCC[N@@H+](C)Cc4ccccc4)cc(=O)n3c2cc1C ZINC000033009091 558828350 /nfs/dbraw/zinc/82/83/50/558828350.db2.gz UQOPMVLUVDHVTM-UHFFFAOYSA-N 1 0 420.538 3.388 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033019017 558834894 /nfs/dbraw/zinc/83/48/94/558834894.db2.gz NWPPMEFWZGPFSE-IBGZPJMESA-N 1 0 420.561 3.091 50 0 HGAARO C[C@@H](CCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1)[NH+]1CCCC1 ZINC000033023086 558839335 /nfs/dbraw/zinc/83/93/35/558839335.db2.gz WEJCUBKXPRHHBC-AWEZNQCLSA-N 1 0 413.547 3.272 50 0 HGAARO CC[NH+](CC)CCN(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)CC(C)C ZINC000072313450 558840341 /nfs/dbraw/zinc/84/03/41/558840341.db2.gz QKZYXXZOVKZQCP-UHFFFAOYSA-N 1 0 416.610 3.164 50 0 HGAARO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000072313483 558840510 /nfs/dbraw/zinc/84/05/10/558840510.db2.gz XTVBQGINVZTBSJ-LSDHHAIUSA-N 1 0 419.875 3.218 50 0 HGAARO OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1Cc1cccs1 ZINC000019229408 558853433 /nfs/dbraw/zinc/85/34/33/558853433.db2.gz DRRQXIMLTKEPPG-LJQANCHMSA-N 1 0 410.543 3.399 50 0 HGAARO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCC[NH+]3CCC(C)CC3)C2)s1 ZINC000033078444 558867916 /nfs/dbraw/zinc/86/79/16/558867916.db2.gz BTSJCHQWHGDTND-KRWDZBQOSA-N 1 0 415.607 3.318 50 0 HGAARO Cc1noc(C)c1CC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055035765 558869976 /nfs/dbraw/zinc/86/99/76/558869976.db2.gz HMYOUKHUZUCCKA-FQEVSTJZSA-N 1 0 416.953 3.301 50 0 HGAARO CCCc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)n(C)n1 ZINC000055108258 558872867 /nfs/dbraw/zinc/87/28/67/558872867.db2.gz TXFWSNAXGHYMGS-NRFANRHFSA-N 1 0 409.578 3.108 50 0 HGAARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(Cc3ccccn3)CC2)CC1 ZINC000055131521 558873528 /nfs/dbraw/zinc/87/35/28/558873528.db2.gz ZKHIICIJXAIPTO-UHFFFAOYSA-N 1 0 406.574 3.117 50 0 HGAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000055211354 558875971 /nfs/dbraw/zinc/87/59/71/558875971.db2.gz UIPWPURASHHPKU-UHFFFAOYSA-N 1 0 416.485 3.438 50 0 HGAARO O=C(c1cc2ccccc2[nH]1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071422153 558897936 /nfs/dbraw/zinc/89/79/36/558897936.db2.gz VFZJYFBIWWTRCH-LJQANCHMSA-N 1 0 408.546 3.107 50 0 HGAARO O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCCC[NH+]1CCCCCC1 ZINC000004687700 558898653 /nfs/dbraw/zinc/89/86/53/558898653.db2.gz ZTWCXCBYITWXAP-UHFFFAOYSA-N 1 0 404.942 3.049 50 0 HGAARO Cc1ccc(NC(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1-n1cnnn1 ZINC000058134099 558900613 /nfs/dbraw/zinc/90/06/13/558900613.db2.gz DCCIOTALCKLVBY-QFIPXVFZSA-N 1 0 419.533 3.175 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000058144109 558901699 /nfs/dbraw/zinc/90/16/99/558901699.db2.gz ZTFOQFMVYLFUOG-WOIUINJBSA-N 1 0 423.557 3.422 50 0 HGAARO Cc1csc2c1ncnc2N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071575210 558905224 /nfs/dbraw/zinc/90/52/24/558905224.db2.gz CPYVEEYXIXWKSP-QGZVFWFLSA-N 1 0 413.591 3.303 50 0 HGAARO C[C@H]1CCN(C(=O)CN2CCC(CC[NH+]3CCOCC3)CC2)c2ccccc2S1 ZINC000058161531 558905725 /nfs/dbraw/zinc/90/57/25/558905725.db2.gz WIOAGRONJKKSSH-IBGZPJMESA-N 1 0 417.619 3.338 50 0 HGAARO C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 ZINC000058172495 558908408 /nfs/dbraw/zinc/90/84/08/558908408.db2.gz OHLSVLPOLDUVFC-GFCCVEGCSA-N 1 0 423.391 3.476 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CCCCC1 ZINC000058173740 558908798 /nfs/dbraw/zinc/90/87/98/558908798.db2.gz CSAVRDPWNPSSFJ-QGZVFWFLSA-N 1 0 401.960 3.376 50 0 HGAARO COC(=O)CCC[NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000019535277 558913466 /nfs/dbraw/zinc/91/34/66/558913466.db2.gz BJVSVDMHTCSAOK-UHFFFAOYSA-N 1 0 420.941 3.437 50 0 HGAARO C[NH+]1CCC(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000058246390 558914653 /nfs/dbraw/zinc/91/46/53/558914653.db2.gz TVCKPKTUYDSQPW-UHFFFAOYSA-N 1 0 411.468 3.016 50 0 HGAARO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000058441236 558927610 /nfs/dbraw/zinc/92/76/10/558927610.db2.gz KABBWVBJPYNDIN-OAQYLSRUSA-N 1 0 424.541 3.304 50 0 HGAARO Cc1ccc(OCC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000059300011 558933486 /nfs/dbraw/zinc/93/34/86/558933486.db2.gz JQZALQNCELMQPP-JOCHJYFZSA-N 1 0 411.521 3.326 50 0 HGAARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(Cc3ccncc3)CC2)CC1 ZINC000064157791 558962238 /nfs/dbraw/zinc/96/22/38/558962238.db2.gz DWGJUJIMANKMOC-UHFFFAOYSA-N 1 0 406.574 3.117 50 0 HGAARO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c(C)c1 ZINC000065364274 558975418 /nfs/dbraw/zinc/97/54/18/558975418.db2.gz SIUIIEQRMKENDQ-UHFFFAOYSA-N 1 0 410.522 3.056 50 0 HGAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)NCc1ccc(Cl)cc1 ZINC000072406412 558987173 /nfs/dbraw/zinc/98/71/73/558987173.db2.gz AYWUYABGJQTVNP-UHFFFAOYSA-N 1 0 404.894 3.364 50 0 HGAARO CCNC(=O)COc1ccc(CNc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000097020057 558987836 /nfs/dbraw/zinc/98/78/36/558987836.db2.gz WJDGYGQFWMRCGU-UHFFFAOYSA-N 1 0 422.573 3.346 50 0 HGAARO O=C(c1cc(CN2CCC(Cc3ccccc3)CC2)on1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000067885891 558994321 /nfs/dbraw/zinc/99/43/21/558994321.db2.gz YFYHCYUNCCYFSK-NRFANRHFSA-N 1 0 408.546 3.050 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000067883929 558994470 /nfs/dbraw/zinc/99/44/70/558994470.db2.gz OUEXXMSONYIILR-OAQYLSRUSA-N 1 0 410.562 3.343 50 0 HGAARO CCC[C@H]([NH3+])C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOC3=O)c12 ZINC000077455000 559005707 /nfs/dbraw/zinc/00/57/07/559005707.db2.gz QLWTZCJTRBTKMV-HNNXBMFYSA-N 1 0 411.437 3.187 50 0 HGAARO Cc1ccccc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082083745 559036675 /nfs/dbraw/zinc/03/66/75/559036675.db2.gz WBBCZYYJMTUITQ-JOCHJYFZSA-N 1 0 406.574 3.383 50 0 HGAARO CCOC(=O)c1cccc(C(=O)c2ccccc2C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000085651547 559057258 /nfs/dbraw/zinc/05/72/58/559057258.db2.gz PHMPDDNUHSGARH-UHFFFAOYSA-N 1 0 409.482 3.433 50 0 HGAARO COC(C)(C)CNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091934470 559074716 /nfs/dbraw/zinc/07/47/16/559074716.db2.gz MEBLYMNQLZPAOY-KRWDZBQOSA-N 1 0 414.550 3.050 50 0 HGAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1cnc(SCC)nc1)CC2 ZINC000095500071 559082084 /nfs/dbraw/zinc/08/20/84/559082084.db2.gz FYOBPOKAJZMEFM-UHFFFAOYSA-N 1 0 400.596 3.461 50 0 HGAARO Cc1noc(CN(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000095531306 559087022 /nfs/dbraw/zinc/08/70/22/559087022.db2.gz YRZMSWSLNPLYIP-HXUWFJFHSA-N 1 0 402.514 3.410 50 0 HGAARO CCN1CCN(C(=O)CCC2CC[NH+]([C@@H](C)CCc3ccc(O)cc3)CC2)CC1 ZINC000096879117 559112477 /nfs/dbraw/zinc/11/24/77/559112477.db2.gz OSBCWCZPESFFAW-FQEVSTJZSA-N 1 0 401.595 3.370 50 0 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559240474 /nfs/dbraw/zinc/24/04/74/559240474.db2.gz GOKQVHHBOIENNV-UONOGXRCSA-N 1 0 417.506 3.421 50 0 HGAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000409415105 559250964 /nfs/dbraw/zinc/25/09/64/559250964.db2.gz TZXOHCPJFHMULX-DENIHFKCSA-N 1 0 411.550 3.215 50 0 HGAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2Cl)n1 ZINC000252430917 559277127 /nfs/dbraw/zinc/27/71/27/559277127.db2.gz SSDCVOWMGCLSRS-YLJYHZDGSA-N 1 0 422.920 3.136 50 0 HGAARO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(C)c(F)c3)c(=O)c2C1 ZINC000062007131 560566297 /nfs/dbraw/zinc/56/62/97/560566297.db2.gz IECIWYDGKOSZRM-UHFFFAOYSA-N 1 0 420.488 3.375 50 0 HGAARO CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccccc3C)c(=O)c2C1 ZINC000062007150 560566302 /nfs/dbraw/zinc/56/63/02/560566302.db2.gz LGMMCRIYNDAPSE-UHFFFAOYSA-N 1 0 420.488 3.375 50 0 HGAARO COC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104985242 560859065 /nfs/dbraw/zinc/85/90/65/560859065.db2.gz 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CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCN(CC)CC3)o2)cc1 ZINC000024721601 568459976 /nfs/dbraw/zinc/45/99/76/568459976.db2.gz FXADLYPFYDZGLZ-INIZCTEOSA-N 1 0 417.579 3.228 50 0 HGAARO O=C1C[C@@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000221529409 568510005 /nfs/dbraw/zinc/51/00/05/568510005.db2.gz NBBYHVVEXVSNGZ-UVUJQTEASA-N 1 0 420.900 3.302 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060336 568510994 /nfs/dbraw/zinc/51/09/94/568510994.db2.gz DWEZVPXIJXVFJO-UHFFFAOYSA-N 1 0 407.927 3.050 50 0 HGAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCCCOC(C)C)cc12 ZINC000020153813 568590829 /nfs/dbraw/zinc/59/08/29/568590829.db2.gz KHGZLHDLRKCTRG-UHFFFAOYSA-N 1 0 415.607 3.397 50 0 HGAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NC[C@H]4CCCO4)ccc3n2)CC1 ZINC000020153534 568590884 /nfs/dbraw/zinc/59/08/84/568590884.db2.gz WIZJEPDBWAESST-GOSISDBHSA-N 1 0 413.591 3.151 50 0 HGAARO CCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCC[NH+](CC)CC)c2ccccc21 ZINC000020439211 568607398 /nfs/dbraw/zinc/60/73/98/568607398.db2.gz GNUDRLQRPFUUFK-SILNSSARSA-N 1 0 422.529 3.483 50 0 HGAARO CC(=O)N1CCC(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000095432504 568609271 /nfs/dbraw/zinc/60/92/71/568609271.db2.gz SUWVARXENIZMGT-DYESRHJHSA-N 1 0 403.567 3.359 50 0 HGAARO CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000095457780 568618716 /nfs/dbraw/zinc/61/87/16/568618716.db2.gz PLMKWKXCCKJDKL-OAQYLSRUSA-N 1 0 400.567 3.328 50 0 HGAARO CC[N@H+](CCC1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1)CC(C)C ZINC000095459630 568619837 /nfs/dbraw/zinc/61/98/37/568619837.db2.gz NBUQIWBALLSPHG-OYRHEFFESA-N 1 0 419.610 3.158 50 0 HGAARO C[C@H]([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 ZINC000095469679 568626044 /nfs/dbraw/zinc/62/60/44/568626044.db2.gz VGQSGTPDODSZTL-GAHAVRLESA-N 1 0 422.635 3.139 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000020934589 568652033 /nfs/dbraw/zinc/65/20/33/568652033.db2.gz 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Cc1c(C(=O)Nc2ccc(F)cc2F)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000021636556 568725435 /nfs/dbraw/zinc/72/54/35/568725435.db2.gz QZLJXIWBMJKIRP-UHFFFAOYSA-N 1 0 403.458 3.282 50 0 HGAARO CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1F ZINC000238923533 568727280 /nfs/dbraw/zinc/72/72/80/568727280.db2.gz OMSNOCHOYRUFGE-MRXNPFEDSA-N 1 0 419.291 3.309 50 0 HGAARO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025536111 568774601 /nfs/dbraw/zinc/77/46/01/568774601.db2.gz DFSVNQGRLZNUQZ-IFMALSPDSA-N 1 0 411.546 3.233 50 0 HGAARO O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000002486598 568775311 /nfs/dbraw/zinc/77/53/11/568775311.db2.gz YDPRVLBFSLWEOG-LBPRGKRZSA-N 1 0 421.448 3.397 50 0 HGAARO Cc1cc(C)n(CCC[NH2+]C[C@@H](O)COc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000002662638 568799462 /nfs/dbraw/zinc/79/94/62/568799462.db2.gz VXHJFVNXLDLQBY-JOCHJYFZSA-N 1 0 407.514 3.151 50 0 HGAARO C[N@H+](CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000002964669 568830775 /nfs/dbraw/zinc/83/07/75/568830775.db2.gz XWLJUKVBSDKQKV-INIZCTEOSA-N 1 0 403.885 3.080 50 0 HGAARO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)Cc2csc(Br)c2)C[C@H](C)O1 ZINC000057481380 568841385 /nfs/dbraw/zinc/84/13/85/568841385.db2.gz UUCDHYIKTKUAKP-BETUJISGSA-N 1 0 404.374 3.151 50 0 HGAARO CC1CC[NH+](CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000012521032 568841537 /nfs/dbraw/zinc/84/15/37/568841537.db2.gz HTJWDXPMDIIVCQ-UHFFFAOYSA-N 1 0 415.559 3.339 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003043740 568848157 /nfs/dbraw/zinc/84/81/57/568848157.db2.gz ZCXSKZVVSVSTFP-QGZVFWFLSA-N 1 0 408.527 3.262 50 0 HGAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NC(C)C)C2 ZINC000230138092 568851251 /nfs/dbraw/zinc/85/12/51/568851251.db2.gz MGAJNFHGUSLJQZ-GGAORHGYSA-N 1 0 411.521 3.222 50 0 HGAARO Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000012552186 568853586 /nfs/dbraw/zinc/85/35/86/568853586.db2.gz 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CCOC(=O)CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)CC1CC1 ZINC000058134352 568889977 /nfs/dbraw/zinc/88/99/77/568889977.db2.gz QSKJHWCDQABUMG-UHFFFAOYSA-N 1 0 422.547 3.017 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)CCCNC(=O)c1ccsc1)c1cccc(OC)c1 ZINC000012728438 568920908 /nfs/dbraw/zinc/92/09/08/568920908.db2.gz WFXPTHDJAWTIEZ-HXUWFJFHSA-N 1 0 417.575 3.466 50 0 HGAARO COc1cc(CN(C)Cc2ccon2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012746958 568932934 /nfs/dbraw/zinc/93/29/34/568932934.db2.gz ZLUOLLYDJSYFDT-OAQYLSRUSA-N 1 0 417.550 3.321 50 0 HGAARO COc1c2c(cc3c1[C@H](C[C@H](O)CCc1ccc4c(c1)OCO4)[N@H+](C)CC3)OCO2 ZINC000004042832 568935963 /nfs/dbraw/zinc/93/59/63/568935963.db2.gz SDGLWTATVZQCPU-SJORKVTESA-N 1 0 413.470 3.065 50 0 biogenic HGAARO Cc1ccc(CCN2C[C@H](C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2=O)cc1 ZINC000004101923 568942981 /nfs/dbraw/zinc/94/29/81/568942981.db2.gz OWTGVWTZHGSJEY-HSZRJFAPSA-N 1 0 407.558 3.024 50 0 HGAARO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012781304 568957938 /nfs/dbraw/zinc/95/79/38/568957938.db2.gz RBJGECPNYVGIHS-INIZCTEOSA-N 1 0 413.493 3.401 50 0 HGAARO COc1cccc([C@@H](CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[NH+](C)C)c1 ZINC000007980415 568963541 /nfs/dbraw/zinc/96/35/41/568963541.db2.gz KKLJYELSLDNJBV-JOCHJYFZSA-N 1 0 424.545 3.358 50 0 HGAARO O=C(CN1c2ccccc2Oc2ncccc2C1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000015679959 568967082 /nfs/dbraw/zinc/96/70/82/568967082.db2.gz WSWWKOWPEJUUAR-UHFFFAOYSA-N 1 0 420.513 3.311 50 0 HGAARO Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000015729678 568980260 /nfs/dbraw/zinc/98/02/60/568980260.db2.gz NJXPVTMQRXCCHK-INIZCTEOSA-N 1 0 408.506 3.083 50 0 HGAARO COc1ccc2c(C)c(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c(=O)oc2c1 ZINC000012808018 568980361 /nfs/dbraw/zinc/98/03/61/568980361.db2.gz RLVJVAAKZFIWAJ-IBGZPJMESA-N 1 0 420.509 3.433 50 0 HGAARO C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)ccc2S1 ZINC000015730462 568981004 /nfs/dbraw/zinc/98/10/04/568981004.db2.gz SBASDDVKESAWDR-HNNXBMFYSA-N 1 0 423.604 3.148 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CC(C)(C)C3 ZINC000015733755 568983309 /nfs/dbraw/zinc/98/33/09/568983309.db2.gz QSDPKKXFFCGIRV-OAHLLOKOSA-N 1 0 417.575 3.394 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000008230502 568983725 /nfs/dbraw/zinc/98/37/25/568983725.db2.gz FEAMZJKALXCEPB-ZVQQDINOSA-N 1 0 405.542 3.358 50 0 HGAARO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015773280 568998752 /nfs/dbraw/zinc/99/87/52/568998752.db2.gz SNCVDCYHYOBZCH-VWLOTQADSA-N 1 0 419.569 3.425 50 0 HGAARO Cc1cccc(CN2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)n1 ZINC000106707954 569009229 /nfs/dbraw/zinc/00/92/29/569009229.db2.gz OXSCMNARHQHNBL-JOCHJYFZSA-N 1 0 419.529 3.041 50 0 HGAARO CS(=O)(=O)c1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC000012849927 569010322 /nfs/dbraw/zinc/01/03/22/569010322.db2.gz ZMXOIHYTEUPLQC-UHFFFAOYSA-N 1 0 406.935 3.269 50 0 HGAARO CC[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[nH]c2n1 ZINC000101795870 569019012 /nfs/dbraw/zinc/01/90/12/569019012.db2.gz DZJNVTZDDAFDKE-KRWDZBQOSA-N 1 0 400.914 3.448 50 0 HGAARO CCc1ccc([C@H](CNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)[NH+](C)C)cc1 ZINC000012909409 569021723 /nfs/dbraw/zinc/02/17/23/569021723.db2.gz VBSVXWMWHDGVOV-UPVQGACJSA-N 1 0 409.574 3.351 50 0 HGAARO Cc1cc(NC(=O)CN(C)Cc2cc(Br)ccc2OC(F)F)no1 ZINC000053351247 569027486 /nfs/dbraw/zinc/02/74/86/569027486.db2.gz ZKJMJWIVCAWCCP-UHFFFAOYSA-N 1 0 404.211 3.417 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000035398327 569035181 /nfs/dbraw/zinc/03/51/81/569035181.db2.gz XOFBJYSSXRMEMY-IBGZPJMESA-N 1 0 407.562 3.351 50 0 HGAARO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000035513094 569043191 /nfs/dbraw/zinc/04/31/91/569043191.db2.gz MBCGTSKVHCGFNV-LJQANCHMSA-N 1 0 411.525 3.101 50 0 HGAARO CCOC(=O)C1C(C[NH+]2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000239306197 569054145 /nfs/dbraw/zinc/05/41/45/569054145.db2.gz GNKWWMYSQVHRQX-LPMFXHHGSA-N 1 0 405.926 3.489 50 0 HGAARO FC(F)(F)c1cccc(-c2noc(CN3CCC[N@H+](C[C@H]4CCCO4)CC3)n2)c1 ZINC000241383266 569054740 /nfs/dbraw/zinc/05/47/40/569054740.db2.gz MTTGIXKYTCIZJO-QGZVFWFLSA-N 1 0 410.440 3.442 50 0 HGAARO CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000241776889 569054835 /nfs/dbraw/zinc/05/48/35/569054835.db2.gz RTIZAPRRXLLGSQ-NHCUHLMSSA-N 1 0 416.566 3.208 50 0 HGAARO CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000241776890 569054889 /nfs/dbraw/zinc/05/48/89/569054889.db2.gz RTIZAPRRXLLGSQ-RTWAWAEBSA-N 1 0 416.566 3.208 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 ZINC000016599002 569060454 /nfs/dbraw/zinc/06/04/54/569060454.db2.gz HIWFJRKLLVHKOM-KRWDZBQOSA-N 1 0 424.570 3.215 50 0 HGAARO COCC1(CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)CCC1 ZINC000426359586 569072486 /nfs/dbraw/zinc/07/24/86/569072486.db2.gz HTYVFCDJWZLQBI-UHFFFAOYSA-N 1 0 403.548 3.458 50 0 HGAARO Cc1nc2cc(C(=O)NCC[N@H+]3CCCC[C@H]3C)ccc2n(Cc2ccccc2)c1=O ZINC000064859414 569109470 /nfs/dbraw/zinc/10/94/70/569109470.db2.gz MLFPSCLCADDHRP-GOSISDBHSA-N 1 0 418.541 3.357 50 0 HGAARO Cc1nn([C@H](C)C(=O)NCC[NH+]2CCCCCC2)c(=O)c2c3ccccc3sc21 ZINC000006799187 569126242 /nfs/dbraw/zinc/12/62/42/569126242.db2.gz ATVTXCGSUXCKIU-MRXNPFEDSA-N 1 0 412.559 3.473 50 0 HGAARO C[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309086 569129872 /nfs/dbraw/zinc/12/98/72/569129872.db2.gz YJMIRHVDCFQELY-UTKZUKDTSA-N 1 0 414.571 3.346 50 0 HGAARO Cc1ccc(C(=O)N2[C@H](C(=O)NCC[NH+](C)C)CS[C@H]2C2CCCCC2)cc1 ZINC000006838351 569149730 /nfs/dbraw/zinc/14/97/30/569149730.db2.gz URVPKNCRRFHEBR-UGKGYDQZSA-N 1 0 403.592 3.137 50 0 HGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000006841342 569151886 /nfs/dbraw/zinc/15/18/86/569151886.db2.gz IKKNCWJQIJMOKO-HNNXBMFYSA-N 1 0 402.564 3.097 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000036390795 569165990 /nfs/dbraw/zinc/16/59/90/569165990.db2.gz ZEBMNDAKVHSODC-MRXNPFEDSA-N 1 0 421.463 3.415 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)C1 ZINC000036390720 569166106 /nfs/dbraw/zinc/16/61/06/569166106.db2.gz RBHHMAKSCQBDPW-MRXNPFEDSA-N 1 0 421.463 3.415 50 0 HGAARO CCCC[N@H+](CC)CCNC(=O)c1ccc(C[S@](=O)c2ccc(OC)cc2)o1 ZINC000006895627 569175474 /nfs/dbraw/zinc/17/54/74/569175474.db2.gz UGJYXBNEQATXKI-MUUNZHRXSA-N 1 0 406.548 3.448 50 0 HGAARO COc1c2c(cc3c1[C@H](CC(=O)C1(c4ccccc4)CC[NH2+]CC1)N(C)CC3)OCO2 ZINC000524731499 569212324 /nfs/dbraw/zinc/21/23/24/569212324.db2.gz ACFKGJUPVHJCNO-IBGZPJMESA-N 1 0 422.525 3.234 50 0 biogenic HGAARO CCCNc1cc(N2CCC(CCC(=O)N3CC[NH+](CC(C)C)CC3)CC2)ncn1 ZINC000065274185 569214991 /nfs/dbraw/zinc/21/49/91/569214991.db2.gz YUNNPYZNJFAYJO-UHFFFAOYSA-N 1 0 416.614 3.095 50 0 HGAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000065329567 569224817 /nfs/dbraw/zinc/22/48/17/569224817.db2.gz OENIQASKDRBBCG-UHFFFAOYSA-N 1 0 422.529 3.094 50 0 HGAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000170595879 569241579 /nfs/dbraw/zinc/24/15/79/569241579.db2.gz XLTWXKWDRSVIMP-LLBVYWAGSA-N 1 0 402.510 3.353 50 0 HGAARO O=C(CC[C@H](O)c1ccc2c(c1)CCC(=O)N2)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000170597791 569242207 /nfs/dbraw/zinc/24/22/07/569242207.db2.gz WDJHVOIQPUXOTG-GGAORHGYSA-N 1 0 421.541 3.166 50 0 HGAARO C[NH+](C)CCOc1cccc(CC(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 ZINC000170600638 569243056 /nfs/dbraw/zinc/24/30/56/569243056.db2.gz UXZIQPULWDSXGS-UHFFFAOYSA-N 1 0 417.937 3.298 50 0 HGAARO Cc1sc2ncnc(SCCC(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)c2c1C ZINC000170602681 569243728 /nfs/dbraw/zinc/24/37/28/569243728.db2.gz NIHGVKGJGYJEOY-ZDUSSCGKSA-N 1 0 422.620 3.094 50 0 HGAARO Cc1nc(CN(C)CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cs1 ZINC000089712404 569263028 /nfs/dbraw/zinc/26/30/28/569263028.db2.gz AJRZGEKUMVBVHB-LJQANCHMSA-N 1 0 406.983 3.490 50 0 HGAARO C[NH+]1CCC(CCNC(=O)c2ccc3[nH]c4c(c3c2)CN(C(=O)C2CCC2)CC4)CC1 ZINC000096363753 569279487 /nfs/dbraw/zinc/27/94/87/569279487.db2.gz XMPFNHGJZJHBCD-UHFFFAOYSA-N 1 0 422.573 3.314 50 0 HGAARO CC(C)(C)OC(=O)N1CCC2(C[C@H](N3CCC([NH+]4CCCCC4)CC3)CO2)CC1 ZINC000006747696 569280124 /nfs/dbraw/zinc/28/01/24/569280124.db2.gz CBSGHPIDAWIKAK-FQEVSTJZSA-N 1 0 407.599 3.495 50 0 HGAARO CC(C)(C)OC(=O)N1CCC2(C[C@@H](N3CCC([NH+]4CCCCC4)CC3)CO2)CC1 ZINC000006747698 569280144 /nfs/dbraw/zinc/28/01/44/569280144.db2.gz CBSGHPIDAWIKAK-HXUWFJFHSA-N 1 0 407.599 3.495 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000002102034 569281468 /nfs/dbraw/zinc/28/14/68/569281468.db2.gz GQWCDWWREXSFDW-AMBFMMJXSA-N 1 0 416.606 3.222 50 0 biogenic HGAARO Cc1cccc(-c2nc(N3CC[NH+](C)CC3)nc3nn(Cc4ccccc4)c(N)c32)c1 ZINC000037361330 569283520 /nfs/dbraw/zinc/28/35/20/569283520.db2.gz LNZJRPGNEYVCHB-UHFFFAOYSA-N 1 0 413.529 3.184 50 0 HGAARO C[NH+](C)CCNc1nc2nn(Cc3ccccc3)c(N)c2c(-c2cccc(F)c2F)n1 ZINC000037361495 569283714 /nfs/dbraw/zinc/28/37/14/569283714.db2.gz GNZAXIRKRKANJY-UHFFFAOYSA-N 1 0 423.471 3.376 50 0 HGAARO CC[N@H+](CCC1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1)CC(C)C ZINC000252477400 569288289 /nfs/dbraw/zinc/28/82/89/569288289.db2.gz NBUQIWBALLSPHG-NHCUHLMSSA-N 1 0 419.610 3.158 50 0 HGAARO COc1ccc(S(=O)(=O)NCC2CCN(c3cc[nH+]c(C)c3)CC2)cc1Cl ZINC000253405897 569366061 /nfs/dbraw/zinc/36/60/61/569366061.db2.gz TXRZSTQROOGUNY-UHFFFAOYSA-N 1 0 409.939 3.247 50 0 HGAARO C[NH+](C)CCCNC(=O)c1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 ZINC000002440660 569400646 /nfs/dbraw/zinc/40/06/46/569400646.db2.gz WDBMLXLVXJYLFY-ZDUSSCGKSA-N 1 0 414.579 3.172 50 0 HGAARO CC(C)Cn1nc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c2ccccc2c1=O ZINC000328591890 569415155 /nfs/dbraw/zinc/41/51/55/569415155.db2.gz MOUOKRXZZQHCLZ-UHFFFAOYSA-N 1 0 421.545 3.042 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccsc1 ZINC000040089479 571159475 /nfs/dbraw/zinc/15/94/75/571159475.db2.gz CMCOUZWKSZPNGS-APWZRJJASA-N 1 0 403.548 3.393 50 0 HGAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(Br)cc2F)CC1 ZINC000040089786 571159777 /nfs/dbraw/zinc/15/97/77/571159777.db2.gz DVJYMDQUSIWCTK-UHFFFAOYSA-N 1 0 420.326 3.266 50 0 HGAARO O=C(CC[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1)Nc1ccccc1F ZINC000040120653 571176678 /nfs/dbraw/zinc/17/66/78/571176678.db2.gz QLXHANBTVFPXBZ-UHFFFAOYSA-N 1 0 415.484 3.364 50 0 HGAARO C[NH+](C)CCN(C(=O)c1cn(-c2ccccc2)nn1)c1cccc(Br)c1 ZINC000040157911 571204375 /nfs/dbraw/zinc/20/43/75/571204375.db2.gz GAODZEGQEVIDKN-UHFFFAOYSA-N 1 0 414.307 3.238 50 0 HGAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000070896194 571281072 /nfs/dbraw/zinc/28/10/72/571281072.db2.gz AQWMOPCKXZNYPW-UHFFFAOYSA-N 1 0 406.408 3.072 50 0 HGAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000002280005 132251407 /nfs/dbraw/zinc/25/14/07/132251407.db2.gz ZXRFJVDLJPFUEW-UHFFFAOYSA-N 1 0 420.513 3.414 50 0 HGAARO Cc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCC[NH+]2CCCC2)cc1C ZINC000006725106 132313883 /nfs/dbraw/zinc/31/38/83/132313883.db2.gz FTHGKAGVBXEJBN-XMMPIXPASA-N 1 0 422.529 3.103 50 0 HGAARO COc1ccccc1[C@H]1[C@@H](C(=O)NCC[NH+](C)C)CCC(=O)N1c1ccc(C)cc1 ZINC000007987384 132326670 /nfs/dbraw/zinc/32/66/70/132326670.db2.gz NNDOECCHAVBTMV-REWPJTCUSA-N 1 0 409.530 3.166 50 0 HGAARO c1ccc(N2CCN(Cc3ccc4c(c3)C[N@H+](C3CCSCC3)CCO4)CC2)nc1 ZINC000011911131 132352153 /nfs/dbraw/zinc/35/21/53/132352153.db2.gz QQGIBJQOLFXTQN-UHFFFAOYSA-N 1 0 424.614 3.494 50 0 HGAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1 ZINC000011936884 132352430 /nfs/dbraw/zinc/35/24/30/132352430.db2.gz UPRWDFFFWPSTNP-DEOSSOPVSA-N 1 0 407.558 3.302 50 0 HGAARO Cc1cc(C)nc(N2CCC(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000012574770 132364444 /nfs/dbraw/zinc/36/44/44/132364444.db2.gz DSQOCKVFRGGSFQ-HSZRJFAPSA-N 1 0 421.589 3.481 50 0 HGAARO FC(F)(F)c1nc2ccccc2c(NCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000012890461 132368288 /nfs/dbraw/zinc/36/82/88/132368288.db2.gz DKBYMJGFVHKWLZ-UHFFFAOYSA-N 1 0 417.439 3.063 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029482826 520800181 /nfs/dbraw/zinc/80/01/81/520800181.db2.gz HHUMPMTVYBLUSV-OAQYLSRUSA-N 1 0 415.559 3.275 50 0 HGAARO C[NH+](C)[C@@H]1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000040355530 522053782 /nfs/dbraw/zinc/05/37/82/522053782.db2.gz KEHGMNASPBAYFC-LLVKDONJSA-N 1 0 413.330 3.478 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1 ZINC000032970897 522068975 /nfs/dbraw/zinc/06/89/75/522068975.db2.gz VQOYBCGFXZINQX-GOSISDBHSA-N 1 0 400.548 3.411 50 0 HGAARO COc1cc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc(OC)c1 ZINC000020535242 522383118 /nfs/dbraw/zinc/38/31/18/522383118.db2.gz VZTBIYLJWIMUCY-NRFANRHFSA-N 1 0 414.546 3.090 50 0 HGAARO COc1ccc(-c2nc(C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cs2)cc1OC ZINC000032903360 523190553 /nfs/dbraw/zinc/19/05/53/523190553.db2.gz MYJROGVPDJNEID-GASCZTMLSA-N 1 0 419.547 3.056 50 0 HGAARO COc1ccc(-n2cc(C[N@H+](C)CCN3CCOCC3)c(-c3cccc(F)c3)n2)cc1 ZINC000020536691 523329729 /nfs/dbraw/zinc/32/97/29/523329729.db2.gz NIYRCYDBIPCLTD-UHFFFAOYSA-N 1 0 424.520 3.451 50 0 HGAARO C[N@H+](Cc1ccccc1NC(=O)Cn1nnc2ccccc2c1=O)C1CCCCC1 ZINC000032900675 523376112 /nfs/dbraw/zinc/37/61/12/523376112.db2.gz NACVPIFLSIXZMB-UHFFFAOYSA-N 1 0 405.502 3.195 50 0 HGAARO C[N@@H+]1CCCN(C(=O)c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000040355598 523808490 /nfs/dbraw/zinc/80/84/90/523808490.db2.gz SGGMQXYEWZNHPF-UHFFFAOYSA-N 1 0 412.437 3.192 50 0 HGAARO CN(CC[NH+](C)C)C(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355538 524061285 /nfs/dbraw/zinc/06/12/85/524061285.db2.gz YPHKOLVSRAHTHR-UHFFFAOYSA-N 1 0 401.319 3.336 50 0 HGAARO Cc1cccc2c(=O)n(CCCC(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000032912080 524926732 /nfs/dbraw/zinc/92/67/32/524926732.db2.gz JNYXSSIQONWVBN-NRFANRHFSA-N 1 0 418.541 3.266 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+](C)C)cc1 ZINC000032593959 525357537 /nfs/dbraw/zinc/35/75/37/525357537.db2.gz OMRDYYXJULKBAJ-IBGZPJMESA-N 1 0 423.469 3.154 50 0 HGAARO CSc1ccc(N2C[C@H](C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CC2=O)cc1 ZINC000032730853 526023003 /nfs/dbraw/zinc/02/30/03/526023003.db2.gz ZVOWKENQCALEFI-UZLBHIALSA-N 1 0 415.534 3.320 50 0 HGAARO Cc1cc(=O)c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)nn1-c1ccccc1Cl ZINC000032781293 526130870 /nfs/dbraw/zinc/13/08/70/526130870.db2.gz WSHBSQRXMDDHNV-GOSISDBHSA-N 1 0 410.905 3.227 50 0 HGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032873760 527046218 /nfs/dbraw/zinc/04/62/18/527046218.db2.gz SQLQDFGOPBPPBE-UNMCSNQZSA-N 1 0 409.505 3.069 50 0 HGAARO Cn1cc(C[NH2+]C[C@H]2Cc3ccccc3CN2C)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020600661 527218182 /nfs/dbraw/zinc/21/81/82/527218182.db2.gz AQICFHGZLXIGPW-OAQYLSRUSA-N 1 0 404.514 3.005 50 0 HGAARO Cc1nn(-c2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)cc1NC(=O)C1CC1 ZINC000040455866 527521034 /nfs/dbraw/zinc/52/10/34/527521034.db2.gz MSRNAOSBNBAAGZ-UHFFFAOYSA-N 1 0 409.534 3.135 50 0 HGAARO Cc1ccccc1OC[C@H](O)Cn1c2ccccc2n(CC[NH+]2CCCCC2)c1=N ZINC000001273570 557253271 /nfs/dbraw/zinc/25/32/71/557253271.db2.gz JSWWJFBOMZWQSQ-HXUWFJFHSA-N 1 0 408.546 3.156 50 0 HGAARO CCOC(=O)c1cccc(C(=O)c2cccc(C[NH+]3CCC4(CC3)OCCO4)c2)c1 ZINC000002515224 557353993 /nfs/dbraw/zinc/35/39/93/557353993.db2.gz AYEOMNMHLAPYHS-UHFFFAOYSA-N 1 0 409.482 3.433 50 0 HGAARO CCN1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccc(C)cc4)CC3)cc2)CC1 ZINC000034668271 557361649 /nfs/dbraw/zinc/36/16/49/557361649.db2.gz SMZNTOCOJULDFJ-UHFFFAOYSA-N 1 0 406.574 3.095 50 0 HGAARO CCCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(F)c3)co2)CC1 ZINC000034677474 557365278 /nfs/dbraw/zinc/36/52/78/557365278.db2.gz JVKAOVRXTVXRLD-SFHVURJKSA-N 1 0 418.513 3.043 50 0 HGAARO CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(F)c3)co2)CC1 ZINC000034677475 557365292 /nfs/dbraw/zinc/36/52/92/557365292.db2.gz JVKAOVRXTVXRLD-GOSISDBHSA-N 1 0 418.513 3.043 50 0 HGAARO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830313 557465911 /nfs/dbraw/zinc/46/59/11/557465911.db2.gz NHZCYZIPAKKYQU-JTSKRJEESA-N 1 0 411.571 3.083 50 0 HGAARO CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCCCC1 ZINC000004918155 557614314 /nfs/dbraw/zinc/61/43/14/557614314.db2.gz DBKIVAXXPXBDSK-QGZVFWFLSA-N 1 0 416.591 3.279 50 0 HGAARO Cn1nnnc1SCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000005205743 557640152 /nfs/dbraw/zinc/64/01/52/557640152.db2.gz MMVGFSQEJIRVCU-UHFFFAOYSA-N 1 0 407.902 3.464 50 0 HGAARO COc1ccccc1[C@@H](CNC(=O)CNC(=O)c1ccccc1Cl)[NH+]1CCCC1 ZINC000022680222 557767231 /nfs/dbraw/zinc/76/72/31/557767231.db2.gz DVQLYYYVLZWZGJ-LJQANCHMSA-N 1 0 415.921 3.032 50 0 HGAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2OC)cc1 ZINC000008714246 557800860 /nfs/dbraw/zinc/80/08/60/557800860.db2.gz DMBQTZJKUPKOOG-UHFFFAOYSA-N 1 0 400.475 3.455 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)cc1 ZINC000010450121 558257563 /nfs/dbraw/zinc/25/75/63/558257563.db2.gz GKGOGTMDLRMHLC-UHFFFAOYSA-N 1 0 415.559 3.036 50 0 HGAARO Cc1c[nH]c(CNC(=O)c2ccccc2OC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000011664062 558267606 /nfs/dbraw/zinc/26/76/06/558267606.db2.gz ZOSVJOWVBOKNFQ-UHFFFAOYSA-N 1 0 405.502 3.087 50 0 HGAARO COc1ccc(CNCc2cc(F)ccc2F)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011878630 558293101 /nfs/dbraw/zinc/29/31/01/558293101.db2.gz BMMGKIZZNQCDGA-FQEVSTJZSA-N 1 0 420.500 3.489 50 0 HGAARO O=C(NC[C@@H]1COCCO1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011879228 558294034 /nfs/dbraw/zinc/29/40/34/558294034.db2.gz FBQXGZGCSNUNTQ-LJQANCHMSA-N 1 0 422.953 3.271 50 0 HGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000019865629 558298883 /nfs/dbraw/zinc/29/88/83/558298883.db2.gz CAEDPSCGYQYFGJ-OAQYLSRUSA-N 1 0 411.521 3.399 50 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UWOFXAOPZJVUGK-HNNXBMFYSA-N 1 0 409.983 3.131 50 0 HGAARO O=C(NCCc1ccncc1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012305027 558374297 /nfs/dbraw/zinc/37/42/97/558374297.db2.gz RPINGZKRIVQYOW-UHFFFAOYSA-N 1 0 416.525 3.493 50 0 HGAARO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@H+](Cc2cccn2-c2ccccn2)C1 ZINC000012318952 558381619 /nfs/dbraw/zinc/38/16/19/558381619.db2.gz PTQKDRJDTOQMAI-OAQYLSRUSA-N 1 0 424.570 3.204 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3nc4ccccc4[nH]3)C[C@@H]2CCO)c(C)c1C ZINC000020534542 558385682 /nfs/dbraw/zinc/38/56/82/558385682.db2.gz OWJFQUKPIKRMDK-FQEVSTJZSA-N 1 0 408.546 3.257 50 0 HGAARO COC(=O)CCC(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012434441 558408294 /nfs/dbraw/zinc/40/82/94/558408294.db2.gz ZQATVTJYZAYCJN-HXUWFJFHSA-N 1 0 401.551 3.408 50 0 HGAARO Cc1cccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)c1 ZINC000012434860 558408547 /nfs/dbraw/zinc/40/85/47/558408547.db2.gz LARRWWBIHAOMMI-HSZRJFAPSA-N 1 0 406.574 3.383 50 0 HGAARO O=C(NC[C@@H]1CCC[N@H+](CCCn2cccn2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012439418 558410878 /nfs/dbraw/zinc/41/08/78/558410878.db2.gz WWJDUPWHAJUPFE-SFHVURJKSA-N 1 0 400.954 3.487 50 0 HGAARO CN(Cc1cnc(N2CCOCC2)s1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020782954 558413189 /nfs/dbraw/zinc/41/31/89/558413189.db2.gz RKDUHMLSVWGTNS-FQEVSTJZSA-N 1 0 412.603 3.043 50 0 HGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc3ccc(F)cc3n(Cc3ccncc3)c2=O)C1 ZINC000012452035 558416148 /nfs/dbraw/zinc/41/61/48/558416148.db2.gz SDTMPVAVISFPQK-IBGZPJMESA-N 1 0 423.488 3.359 50 0 HGAARO CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CC[NH+](Cc2cccs2)CC3)CC1 ZINC000012453839 558416634 /nfs/dbraw/zinc/41/66/34/558416634.db2.gz XQGZXVUCIHKJOB-GOSISDBHSA-N 1 0 405.564 3.087 50 0 HGAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)c1C ZINC000012459755 558418772 /nfs/dbraw/zinc/41/87/72/558418772.db2.gz RMXBSCWMKVOEDJ-GOSISDBHSA-N 1 0 414.550 3.179 50 0 HGAARO OCC[C@H]1CN(Cc2cccn2-c2ccccn2)CC[N@@H+]1CCCc1ccccc1 ZINC000020999523 558428129 /nfs/dbraw/zinc/42/81/29/558428129.db2.gz FLEIRCGQUJPVGX-QHCPKHFHSA-N 1 0 404.558 3.374 50 0 HGAARO COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C3CC3)CC2)c(OC)c1OC ZINC000012577806 558431574 /nfs/dbraw/zinc/43/15/74/558431574.db2.gz PDRDUXRRNADGFP-UHFFFAOYSA-N 1 0 414.506 3.095 50 0 HGAARO C[NH+](C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccc(F)cc2s1 ZINC000004359172 558449015 /nfs/dbraw/zinc/44/90/15/558449015.db2.gz HSJSCVGBOPGMFX-KRWDZBQOSA-N 1 0 401.463 3.170 50 0 HGAARO CC(C)(C)C[NH+]1CCC(Oc2cccc(C(=O)NCCCN3CCOCC3)c2)CC1 ZINC000012706927 558450199 /nfs/dbraw/zinc/45/01/99/558450199.db2.gz GOAXGAYWHPSBLS-UHFFFAOYSA-N 1 0 417.594 3.028 50 0 HGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C1=C(C)OCCO1 ZINC000012716000 558455201 /nfs/dbraw/zinc/45/52/01/558455201.db2.gz QKAICAXVWIDWPR-FQEVSTJZSA-N 1 0 402.535 3.077 50 0 HGAARO COc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000012746111 558458166 /nfs/dbraw/zinc/45/81/66/558458166.db2.gz QVOOCEXZRGJUIY-QGZVFWFLSA-N 1 0 408.477 3.384 50 0 HGAARO COc1ccc(CN2CCSCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012754989 558459845 /nfs/dbraw/zinc/45/98/45/558459845.db2.gz HPWABOBNVGSHDH-NRFANRHFSA-N 1 0 416.587 3.116 50 0 HGAARO COc1ccc(CN2CCSCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012754995 558459913 /nfs/dbraw/zinc/45/99/13/558459913.db2.gz HPWABOBNVGSHDH-OAQYLSRUSA-N 1 0 416.587 3.116 50 0 HGAARO Cn1ncc2c1nc(N1CC[NH+](Cc3ccccc3)CC1)nc2NC1CCCCC1 ZINC000022664717 558504102 /nfs/dbraw/zinc/50/41/02/558504102.db2.gz ILZJCWNRBURSHZ-UHFFFAOYSA-N 1 0 405.550 3.430 50 0 HGAARO COc1ccc([C@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)N2CCOCC2)cc1 ZINC000022789514 558511803 /nfs/dbraw/zinc/51/18/03/558511803.db2.gz DBXYBWASSMUFAY-IBGZPJMESA-N 1 0 422.472 3.468 50 0 HGAARO COc1ccc(-n2cnn(CN3CC[NH+](Cc4ccccc4C)CC3)c2=S)cc1 ZINC000022926605 558523529 /nfs/dbraw/zinc/52/35/29/558523529.db2.gz IJLGZFZONZHLGW-UHFFFAOYSA-N 1 0 409.559 3.496 50 0 HGAARO c1nc2sc3c(c2c(NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)n1)CCCCC3 ZINC000022956849 558528070 /nfs/dbraw/zinc/52/80/70/558528070.db2.gz SNFWNUOFFUWDSD-DOTOQJQBSA-N 1 0 402.564 3.109 50 0 HGAARO Cc1nonc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012574517 558539825 /nfs/dbraw/zinc/53/98/25/558539825.db2.gz OIXFQASLVYUZSI-NRFANRHFSA-N 1 0 412.534 3.220 50 0 HGAARO CCc1ccc(C[N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000023375007 558554479 /nfs/dbraw/zinc/55/44/79/558554479.db2.gz CABYTVMWCWYOSE-FQEVSTJZSA-N 1 0 411.546 3.353 50 0 HGAARO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000023477217 558559504 /nfs/dbraw/zinc/55/95/04/558559504.db2.gz ALOYOTUGGBJXNF-OAHLLOKOSA-N 1 0 421.364 3.291 50 0 HGAARO CC(C)(CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[NH+]1CCCCC1 ZINC000023524571 558560693 /nfs/dbraw/zinc/56/06/93/558560693.db2.gz LQTCESDAGZKRKD-UHFFFAOYSA-N 1 0 415.559 3.482 50 0 HGAARO CCc1c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000024571143 558601228 /nfs/dbraw/zinc/60/12/28/558601228.db2.gz HIDCWGAMYLGFRM-GOSISDBHSA-N 1 0 404.942 3.175 50 0 HGAARO CCn1c(SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccco1 ZINC000024762593 558611066 /nfs/dbraw/zinc/61/10/66/558611066.db2.gz OGIXFFLAHYLXLM-KRWDZBQOSA-N 1 0 411.531 3.041 50 0 HGAARO O=C(CNC(=O)c1cccc(Br)c1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014121408 558622480 /nfs/dbraw/zinc/62/24/80/558622480.db2.gz LIALOZDFNIVREF-UHFFFAOYSA-N 1 0 416.319 3.413 50 0 HGAARO Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000025631781 558646444 /nfs/dbraw/zinc/64/64/44/558646444.db2.gz NIZIJRSVMISBIE-HXUWFJFHSA-N 1 0 419.569 3.410 50 0 HGAARO COc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc(Br)c2)cc1OC ZINC000014245977 558646964 /nfs/dbraw/zinc/64/69/64/558646964.db2.gz MTBPKQILBWFYII-MRXNPFEDSA-N 1 0 410.308 3.338 50 0 HGAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000014530899 558655850 /nfs/dbraw/zinc/65/58/50/558655850.db2.gz WSSRVUCPEPCNEB-UHFFFAOYSA-N 1 0 418.541 3.176 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]CCCc1ccccc1)CC2 ZINC000014533287 558656914 /nfs/dbraw/zinc/65/69/14/558656914.db2.gz KHVKBRSHBGTSFU-IBGZPJMESA-N 1 0 406.530 3.365 50 0 HGAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014536021 558658284 /nfs/dbraw/zinc/65/82/84/558658284.db2.gz BOZRASHWPMIBQT-UHFFFAOYSA-N 1 0 417.513 3.382 50 0 HGAARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](Cc3ccc(C(=O)OC)cc3)CC2)C1=O ZINC000014731296 558665255 /nfs/dbraw/zinc/66/52/55/558665255.db2.gz IHYNZKWADZTOMV-UHFFFAOYSA-N 1 0 415.534 3.138 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1cc(F)ccc1F)CC2 ZINC000014742122 558667338 /nfs/dbraw/zinc/66/73/38/558667338.db2.gz YJRHMOOWQGGFGZ-INIZCTEOSA-N 1 0 414.456 3.211 50 0 HGAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([NH2+]Cc1cccc(F)c1)C2 ZINC000014742490 558667592 /nfs/dbraw/zinc/66/75/92/558667592.db2.gz PFQXNEYZSWOOEC-OAQYLSRUSA-N 1 0 418.516 3.405 50 0 HGAARO COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CC[NH+](CC(C)C)CC3)cc1 ZINC000014743711 558668041 /nfs/dbraw/zinc/66/80/41/558668041.db2.gz RORQPOSJRPODJW-UHFFFAOYSA-N 1 0 401.551 3.401 50 0 HGAARO Cc1c(C[NH+]2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCC(C)C)cnn1C ZINC000014745801 558668953 /nfs/dbraw/zinc/66/89/53/558668953.db2.gz XQXHCIXDTRWZPJ-UHFFFAOYSA-N 1 0 403.571 3.029 50 0 HGAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]C1Cc3ccccc3C1)CC2 ZINC000014745380 558668961 /nfs/dbraw/zinc/66/89/61/558668961.db2.gz MKQMPCOVFGCVJT-NRFANRHFSA-N 1 0 414.553 3.248 50 0 HGAARO COc1ccccc1/C=C/C[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2C ZINC000014748028 558669778 /nfs/dbraw/zinc/66/97/78/558669778.db2.gz VHGXGXADLTVCTI-RMKNXTFCSA-N 1 0 420.513 3.032 50 0 HGAARO Cc1cc(O[C@@H](C)C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)ccc1Cl ZINC000027744314 558681093 /nfs/dbraw/zinc/68/10/93/558681093.db2.gz OQNPEZFMHQZZMC-SFHVURJKSA-N 1 0 407.986 3.482 50 0 HGAARO Cc1ccccc1OCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000027793301 558682713 /nfs/dbraw/zinc/68/27/13/558682713.db2.gz WVMUIGIBPLKRIR-HXUWFJFHSA-N 1 0 401.938 3.132 50 0 HGAARO COc1ccc(C(=O)N[C@@H](C)c2cn(C)nc2C)cc1OC1CC[NH+](C(C)C)CC1 ZINC000014962111 558684396 /nfs/dbraw/zinc/68/43/96/558684396.db2.gz CLAJJGGYTPEMMT-INIZCTEOSA-N 1 0 414.550 3.480 50 0 HGAARO CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@@H]2CCCCC[N@@H+]2C)CC1 ZINC000014971119 558687246 /nfs/dbraw/zinc/68/72/46/558687246.db2.gz APANZZFAZYPOBH-NRFANRHFSA-N 1 0 416.562 3.284 50 0 HGAARO CCOc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000028287463 558694684 /nfs/dbraw/zinc/69/46/84/558694684.db2.gz RDVSZDJWEQGXAO-FQEVSTJZSA-N 1 0 401.938 3.457 50 0 HGAARO Cc1cccc(-n2ccnc2C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)c1 ZINC000015063418 558705990 /nfs/dbraw/zinc/70/59/90/558705990.db2.gz KLOLKYCWZSNMMZ-QFIPXVFZSA-N 1 0 410.562 3.468 50 0 HGAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000015070688 558712556 /nfs/dbraw/zinc/71/25/56/558712556.db2.gz MVJJCKVXPDSIAY-UHFFFAOYSA-N 1 0 403.910 3.155 50 0 HGAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(CCOc3ccccc3)CC2)cc1 ZINC000015300700 558731108 /nfs/dbraw/zinc/73/11/08/558731108.db2.gz DUCGDSYLMDPAHA-XMMPIXPASA-N 1 0 423.557 3.055 50 0 HGAARO CC[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000072303028 558755581 /nfs/dbraw/zinc/75/55/81/558755581.db2.gz JIESTORFQQGAEV-JOCHJYFZSA-N 1 0 405.542 3.479 50 0 HGAARO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000072304915 558756756 /nfs/dbraw/zinc/75/67/56/558756756.db2.gz YAYOMZWHQGTVCH-WMZOPIPTSA-N 1 0 413.484 3.123 50 0 HGAARO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000072304913 558756791 /nfs/dbraw/zinc/75/67/91/558756791.db2.gz VZBVBJCYFVLQGD-HNNXBMFYSA-N 1 0 416.440 3.307 50 0 HGAARO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)C1 ZINC000072305276 558759960 /nfs/dbraw/zinc/75/99/60/558759960.db2.gz MFSCUYWPZBWDQR-IBGZPJMESA-N 1 0 408.546 3.459 50 0 HGAARO C[C@]1(COC(=O)CCNC(=O)OCC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000072310751 558777805 /nfs/dbraw/zinc/77/78/05/558777805.db2.gz MJCSJXZMMZAHSV-GOSISDBHSA-N 1 0 402.413 3.263 50 0 HGAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1OC ZINC000004707025 558780664 /nfs/dbraw/zinc/78/06/64/558780664.db2.gz CNOWOTBYCXKDFV-UHFFFAOYSA-N 1 0 423.557 3.265 50 0 HGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(I)cc1 ZINC000032986433 558806521 /nfs/dbraw/zinc/80/65/21/558806521.db2.gz MFBBCGKWKPHSDO-QGZVFWFLSA-N 1 0 406.267 3.296 50 0 HGAARO Cc1cc2nc(C)c(=O)n(CCC(=O)NCCC[N@@H+](C)Cc3ccccc3)c2cc1C ZINC000033005663 558827480 /nfs/dbraw/zinc/82/74/80/558827480.db2.gz UMJAXQJNNNFUQC-UHFFFAOYSA-N 1 0 420.557 3.350 50 0 HGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2OC)C1 ZINC000046030434 558839343 /nfs/dbraw/zinc/83/93/43/558839343.db2.gz VOVOVZUFWRNSMP-INIZCTEOSA-N 1 0 400.523 3.174 50 0 HGAARO Cc1cc(CN2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)oc1C ZINC000019227828 558852986 /nfs/dbraw/zinc/85/29/86/558852986.db2.gz YPNXWHLNEBYNGZ-UHFFFAOYSA-N 1 0 410.562 3.284 50 0 HGAARO O=C1N[C@](CCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1C1Cc2ccccc2C1 ZINC000067982342 558862408 /nfs/dbraw/zinc/86/24/08/558862408.db2.gz SZUQTRCPEJNGLI-RUZDIDTESA-N 1 0 403.526 3.077 50 0 HGAARO Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@]21N=C(Nc2ccccc2)NC(=[NH2+])N1 ZINC000019320016 558867385 /nfs/dbraw/zinc/86/73/85/558867385.db2.gz GJBCCQHRICACIC-QKFKETGDSA-N 1 0 402.502 3.166 50 0 HGAARO COc1ccc(CN(C)Cc2nccs2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000055242843 558877047 /nfs/dbraw/zinc/87/70/47/558877047.db2.gz KSTJAIDYOBHNEE-SFHVURJKSA-N 1 0 405.564 3.009 50 0 HGAARO CCC[NH+](CCC)CCCNC(=O)CCN1N=C(c2ccc(OC)cc2)CCC1=O ZINC000004668418 558878459 /nfs/dbraw/zinc/87/84/59/558878459.db2.gz BATGLGUQNCSCRU-UHFFFAOYSA-N 1 0 416.566 3.040 50 0 HGAARO Cc1c(C(=O)NCCCc2ccccc2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048319 558885324 /nfs/dbraw/zinc/88/53/24/558885324.db2.gz WQABBZXEPQXVOB-UHFFFAOYSA-N 1 0 409.559 3.114 50 0 HGAARO CC(C)N1C[C@H](CC[NH+]2CCN(C)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000071769347 558910881 /nfs/dbraw/zinc/91/08/81/558910881.db2.gz QVBQPQLUNIZAEJ-DEOSSOPVSA-N 1 0 405.586 3.477 50 0 HGAARO NC(=O)c1c(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CCC2)sc2c1CCCC2 ZINC000058209607 558911908 /nfs/dbraw/zinc/91/19/08/558911908.db2.gz QUTJRJHTABOXGS-UHFFFAOYSA-N 1 0 401.507 3.472 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)C1 ZINC000004709582 558913724 /nfs/dbraw/zinc/91/37/24/558913724.db2.gz SXSVIGHWCIPZNZ-IAGOWNOFSA-N 1 0 416.953 3.048 50 0 HGAARO C[C@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000058415928 558925201 /nfs/dbraw/zinc/92/52/01/558925201.db2.gz JBJMMQAHGMGAEP-RTBURBONSA-N 1 0 410.537 3.398 50 0 HGAARO CC[NH+](CC)CCNC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000060389438 558956281 /nfs/dbraw/zinc/95/62/81/558956281.db2.gz ZSCAKLFWTZXPBI-UHFFFAOYSA-N 1 0 404.532 3.143 50 0 HGAARO Cc1nc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc(N(C)C)[nH+]1 ZINC000065362231 558972977 /nfs/dbraw/zinc/97/29/77/558972977.db2.gz ZPBOIVJUROSDOO-UHFFFAOYSA-N 1 0 401.514 3.480 50 0 HGAARO CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2)C1 ZINC000033264214 558984691 /nfs/dbraw/zinc/98/46/91/558984691.db2.gz PEOVBAMEGAMIDK-RXVVDRJESA-N 1 0 400.567 3.200 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000023106611 559010099 /nfs/dbraw/zinc/01/00/99/559010099.db2.gz VYXCVHSELHOVII-ZDUSSCGKSA-N 1 0 401.410 3.004 50 0 HGAARO Cc1cc(I)ccc1NC(=O)C[N@H+](CCO)C1CCCCC1 ZINC000096979747 559015528 /nfs/dbraw/zinc/01/55/28/559015528.db2.gz NGTJOHBVSUZENR-UHFFFAOYSA-N 1 0 416.303 3.165 50 0 HGAARO CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023127691 559016082 /nfs/dbraw/zinc/01/60/82/559016082.db2.gz AAOOCWUUNZIXBZ-UHFFFAOYSA-N 1 0 419.547 3.065 50 0 HGAARO CC(C)(C)NC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082096798 559037292 /nfs/dbraw/zinc/03/72/92/559037292.db2.gz QZMLAPILGLLVRR-HXUWFJFHSA-N 1 0 414.594 3.030 50 0 HGAARO Cc1noc(C)c1CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082120848 559039314 /nfs/dbraw/zinc/03/93/14/559039314.db2.gz RABBKSBVJBVSCT-JOCHJYFZSA-N 1 0 424.589 3.327 50 0 HGAARO Cc1nc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)co1 ZINC000082121995 559039705 /nfs/dbraw/zinc/03/97/05/559039705.db2.gz VWVNLHDAQUSNMZ-OAQYLSRUSA-N 1 0 410.562 3.018 50 0 HGAARO CC(C)OC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082126437 559039886 /nfs/dbraw/zinc/03/98/86/559039886.db2.gz BOSFUQSPQLXBML-FQEVSTJZSA-N 1 0 401.551 3.067 50 0 HGAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cc1 ZINC000082155619 559041406 /nfs/dbraw/zinc/04/14/06/559041406.db2.gz YFCGPJQKBUBSJX-JOCHJYFZSA-N 1 0 406.574 3.383 50 0 HGAARO COC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091934469 559074695 /nfs/dbraw/zinc/07/46/95/559074695.db2.gz MEBLYMNQLZPAOY-QGZVFWFLSA-N 1 0 414.550 3.050 50 0 HGAARO COc1ccccc1-n1c(C)nnc1SCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000011423894 559075586 /nfs/dbraw/zinc/07/55/86/559075586.db2.gz NFIKDPLRUICTGP-UHFFFAOYSA-N 1 0 417.579 3.102 50 0 HGAARO COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](C/C=C(\C)CCC=C(C)C)CC2 ZINC000095497590 559081652 /nfs/dbraw/zinc/08/16/52/559081652.db2.gz ILZULKFTTHSIFO-UFWORHAWSA-N 1 0 400.567 3.425 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NC[C@H]2CCOC2)c1 ZINC000095497950 559081815 /nfs/dbraw/zinc/08/18/15/559081815.db2.gz YTTFOZLBALDURK-QGZVFWFLSA-N 1 0 402.535 3.247 50 0 HGAARO Cc1cc(=O)cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000095513183 559084465 /nfs/dbraw/zinc/08/44/65/559084465.db2.gz XYYFQPUZOQVOBF-NRFANRHFSA-N 1 0 402.535 3.224 50 0 HGAARO O=C(c1cnco1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095520812 559085320 /nfs/dbraw/zinc/08/53/20/559085320.db2.gz AEQZPVSHWPPXLI-LJQANCHMSA-N 1 0 401.482 3.347 50 0 HGAARO COc1cc(C(C)=O)ccc1OCC(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000060845408 559119709 /nfs/dbraw/zinc/11/97/09/559119709.db2.gz LVZZRJKIXKITJZ-UHFFFAOYSA-N 1 0 410.514 3.366 50 0 HGAARO Cc1ccc(C)c(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCC3)c1 ZINC000004851836 559191339 /nfs/dbraw/zinc/19/13/39/559191339.db2.gz RQRMBCLTGKJDEA-UHFFFAOYSA-N 1 0 414.575 3.031 50 0 HGAARO COc1ccc(CN2CCOCC[NH+](Cc3ccc(OC)cc3)CCOCC2)cc1 ZINC000004899018 559199050 /nfs/dbraw/zinc/19/90/50/559199050.db2.gz RXQPORAVEQBPSG-UHFFFAOYSA-N 1 0 414.546 3.055 50 0 HGAARO COc1ccc(-c2noc(CCC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000004933187 559210892 /nfs/dbraw/zinc/21/08/92/559210892.db2.gz NJSAXOHCYOGNPG-IRXDYDNUSA-N 1 0 400.523 3.162 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ncc2c1c1cc(C)ccc1oc2=O ZINC000004961750 559217818 /nfs/dbraw/zinc/21/78/18/559217818.db2.gz KXYUNOWGPBNDJA-QGZVFWFLSA-N 1 0 410.518 3.222 50 0 HGAARO CCOc1ccc(C(=O)N[C@H](C(=O)NCCC[NH+]2CCC(C)CC2)C(C)C)cc1 ZINC000011714175 559254710 /nfs/dbraw/zinc/25/47/10/559254710.db2.gz FMGUWPATKRPGBY-NRFANRHFSA-N 1 0 403.567 3.078 50 0 HGAARO Cn1cccc1[C@@H](CNC(=O)C(=O)NCCC1=CCCCC1)[NH+]1CCCCCC1 ZINC000011898757 559265584 /nfs/dbraw/zinc/26/55/84/559265584.db2.gz KJONXLNYNFZYMQ-OAQYLSRUSA-N 1 0 400.567 3.065 50 0 HGAARO CCc1ccc(CN2CCc3c(C(=O)NCC(C)(C)[NH+](C)C)csc3C2)nc1 ZINC000426433618 559271422 /nfs/dbraw/zinc/27/14/22/559271422.db2.gz ISGHMDVLGNJCMG-UHFFFAOYSA-N 1 0 400.592 3.334 50 0 HGAARO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000253370597 559280174 /nfs/dbraw/zinc/28/01/74/559280174.db2.gz SXKQPZSVQNNKSE-SELNLUPBSA-N 1 0 415.603 3.498 50 0 HGAARO COc1ccccc1Nc1nnc(CC(=O)N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000062007195 560566328 /nfs/dbraw/zinc/56/63/28/560566328.db2.gz IJCQQQIWURLFFO-UHFFFAOYSA-N 1 0 415.563 3.310 50 0 HGAARO CCc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccccc2)CC[N@@H+](CC)C3)c1 ZINC000062007136 560566375 /nfs/dbraw/zinc/56/63/75/560566375.db2.gz MISMGEUZMJYXNE-UHFFFAOYSA-N 1 0 416.525 3.489 50 0 HGAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(F)cc2)N(CCC[NH+](C)C)C1=O ZINC000005351834 560569121 /nfs/dbraw/zinc/56/91/21/560569121.db2.gz MTJMJLUGOBMOOU-HXUWFJFHSA-N 1 0 410.445 3.438 50 0 HGAARO COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000017246001 560705596 /nfs/dbraw/zinc/70/55/96/560705596.db2.gz OWTUSYJPTBZCHJ-UHFFFAOYSA-N 1 0 403.910 3.381 50 0 HGAARO COc1ccccc1[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CS2)[NH+]1CCCC1 ZINC000017793852 560728329 /nfs/dbraw/zinc/72/83/29/560728329.db2.gz SBNPJMPVVFWVDC-GOSISDBHSA-N 1 0 411.527 3.306 50 0 HGAARO C[NH+](C)C1(CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)CCCCC1 ZINC000017910703 560730380 /nfs/dbraw/zinc/73/03/80/560730380.db2.gz PAQIPHPKWYSQHH-UHFFFAOYSA-N 1 0 404.514 3.380 50 0 HGAARO COc1ccccc1N1C(=O)C[C@@H](N(C)Cc2ccc(Br)cc2)C1=O ZINC000103022525 560836899 /nfs/dbraw/zinc/83/68/99/560836899.db2.gz KQNXEKYREFQCNM-MRXNPFEDSA-N 1 0 403.276 3.222 50 0 HGAARO CCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000045974067 568422772 /nfs/dbraw/zinc/42/27/72/568422772.db2.gz VLJOMJHXUATHMX-UHFFFAOYSA-N 1 0 411.502 3.441 50 0 HGAARO Cc1ccc2c(CC(=O)NCc3ccc(N4CCC[N@@H+](C)CC4)nc3)coc2c1C ZINC000048290800 568435243 /nfs/dbraw/zinc/43/52/43/568435243.db2.gz LDXHFXOYFSSFDD-UHFFFAOYSA-N 1 0 406.530 3.445 50 0 HGAARO FC(F)(F)c1cccc(-c2noc(CN3CCC[N@H+](C[C@@H]4CCCO4)CC3)n2)c1 ZINC000048290946 568435336 /nfs/dbraw/zinc/43/53/36/568435336.db2.gz MTTGIXKYTCIZJO-KRWDZBQOSA-N 1 0 410.440 3.442 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)C1 ZINC000048310748 568436778 /nfs/dbraw/zinc/43/67/78/568436778.db2.gz ORQHBCOWTMCPRX-RTBURBONSA-N 1 0 411.590 3.429 50 0 HGAARO O=S(=O)(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000049611759 568452546 /nfs/dbraw/zinc/45/25/46/568452546.db2.gz NHQYKAKJOLYWQH-MRXNPFEDSA-N 1 0 408.545 3.372 50 0 HGAARO CC(C)S(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000049675540 568453102 /nfs/dbraw/zinc/45/31/02/568453102.db2.gz TWKVOPMNBHTLNO-UHFFFAOYSA-N 1 0 400.544 3.047 50 0 HGAARO O=C1C[C@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000049772132 568453336 /nfs/dbraw/zinc/45/33/36/568453336.db2.gz YACGSFQFKLDZPH-YJMBLLCNSA-N 1 0 420.900 3.302 50 0 HGAARO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000014931401 568456287 /nfs/dbraw/zinc/45/62/87/568456287.db2.gz SLFCISHXHLQVQT-AWEZNQCLSA-N 1 0 415.515 3.348 50 0 HGAARO CCOc1ccc(S(=O)(=O)NC[C@@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1F ZINC000021696220 568466968 /nfs/dbraw/zinc/46/69/68/568466968.db2.gz VWXAQFPUZMPXDQ-FQEVSTJZSA-N 1 0 419.522 3.297 50 0 HGAARO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000024949598 568498447 /nfs/dbraw/zinc/49/84/47/568498447.db2.gz OGJKGEFKDKABRU-MRXNPFEDSA-N 1 0 421.522 3.133 50 0 HGAARO CN1CCO[C@H]([C@@H](NC(=O)c2c(Cl)nc3ccccn32)c2ccc(Cl)cc2)C1 ZINC000222051501 568513944 /nfs/dbraw/zinc/51/39/44/568513944.db2.gz OYXYCKZXYSMSHV-RDJZCZTQSA-N 1 0 419.312 3.443 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(I)cc1)c1cccs1 ZINC000025608089 568530665 /nfs/dbraw/zinc/53/06/65/568530665.db2.gz JFKRFUSPIWQCEV-CYBMUJFWSA-N 1 0 400.285 3.385 50 0 HGAARO C[C@@H]1C[C@@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000095408977 568606582 /nfs/dbraw/zinc/60/65/82/568606582.db2.gz RIQLCABSCOHFIC-CTNGQTDRSA-N 1 0 421.541 3.362 50 0 HGAARO COc1cccc(C(=O)N2CCN([C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1OC ZINC000095457069 568617905 /nfs/dbraw/zinc/61/79/05/568617905.db2.gz NJGANIVXBYATLN-NRFANRHFSA-N 1 0 423.557 3.126 50 0 HGAARO CC[N@H+](Cc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000040122945 568621123 /nfs/dbraw/zinc/62/11/23/568621123.db2.gz IGDQLVGRQXJKLH-SFHVURJKSA-N 1 0 418.559 3.299 50 0 HGAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(F)cc(Br)c1 ZINC000096007077 568683149 /nfs/dbraw/zinc/68/31/49/568683149.db2.gz MNVYPNMOGNDWQV-LJQANCHMSA-N 1 0 421.310 3.475 50 0 HGAARO CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000229637942 568714790 /nfs/dbraw/zinc/71/47/90/568714790.db2.gz YIIGAGAETZOJJK-HLIPFELVSA-N 1 0 406.546 3.030 50 0 HGAARO O=S(=O)(CCCOc1ccc(F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012440828 568723543 /nfs/dbraw/zinc/72/35/43/568723543.db2.gz XLSNMCWUYYLVFQ-UHFFFAOYSA-N 1 0 406.523 3.179 50 0 HGAARO CCOC(=O)COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)CC2 ZINC000003797401 568736589 /nfs/dbraw/zinc/73/65/89/568736589.db2.gz RDJQCOBTKKAQAH-FPOVZHCZSA-N 1 0 403.906 3.462 50 0 investigational HGAARO Cc1nc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc(N(C)C)[nH+]1 ZINC000021795016 568753828 /nfs/dbraw/zinc/75/38/28/568753828.db2.gz NOIYSRKSICWBHQ-UHFFFAOYSA-N 1 0 408.428 3.224 50 0 HGAARO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025536115 568774596 /nfs/dbraw/zinc/77/45/96/568774596.db2.gz DFSVNQGRLZNUQZ-RBBKRZOGSA-N 1 0 411.546 3.233 50 0 HGAARO COc1ccc(-c2n[nH]cc2C(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000299754482 568782219 /nfs/dbraw/zinc/78/22/19/568782219.db2.gz WCNHTZWYBUIBRT-HKUYNNGSSA-N 1 0 412.534 3.430 50 0 biogenic HGAARO Cc1c(Cl)c(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)nn1C ZINC000002764460 568807519 /nfs/dbraw/zinc/80/75/19/568807519.db2.gz UUNWXNCAQSTCGB-UHFFFAOYSA-N 1 0 400.914 3.470 50 0 HGAARO Cc1c(Br)c(C(F)F)nn1CC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000002781560 568808514 /nfs/dbraw/zinc/80/85/14/568808514.db2.gz WZOWYOIHTLSVEK-NSHDSACASA-N 1 0 407.303 3.128 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)NC(=O)[C@@H](N1CCCCC1)S2 ZINC000002941242 568819327 /nfs/dbraw/zinc/81/93/27/568819327.db2.gz CCYUYNFVZAAEDA-QFIPXVFZSA-N 1 0 416.591 3.149 50 0 HGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000226848252 568824502 /nfs/dbraw/zinc/82/45/02/568824502.db2.gz HRXDSFDFJZJLED-KHYOSLBOSA-N 1 0 407.917 3.213 50 0 biogenic HGAARO Cc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)CC2=O)c1C ZINC000029369691 568825043 /nfs/dbraw/zinc/82/50/43/568825043.db2.gz NTHWFDBNQCQIAK-HXUWFJFHSA-N 1 0 420.557 3.355 50 0 HGAARO C[N@H+](CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000002954381 568829703 /nfs/dbraw/zinc/82/97/03/568829703.db2.gz JNTFYRHEOIIQQV-KRWDZBQOSA-N 1 0 417.912 3.470 50 0 HGAARO C[N@H+](CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000002964673 568830820 /nfs/dbraw/zinc/83/08/20/568830820.db2.gz XWLJUKVBSDKQKV-MRXNPFEDSA-N 1 0 403.885 3.080 50 0 HGAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000012542111 568848700 /nfs/dbraw/zinc/84/87/00/568848700.db2.gz YCHDPIOGZBQRQP-LJQANCHMSA-N 1 0 412.559 3.052 50 0 HGAARO CC[NH+](CC)CCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000003053790 568851634 /nfs/dbraw/zinc/85/16/34/568851634.db2.gz QUTHSZMBBFJEKA-UHFFFAOYSA-N 1 0 412.939 3.369 50 0 HGAARO CCCCOc1ccccc1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670436569 568874332 /nfs/dbraw/zinc/87/43/32/568874332.db2.gz DJIZPFOKTIFPGW-CNKRIOBRSA-N 1 0 419.569 3.163 50 0 HGAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2ccsc2)CC1 ZINC000299796503 568876194 /nfs/dbraw/zinc/87/61/94/568876194.db2.gz OJZKEPSIEDNBEA-FQEVSTJZSA-N 1 0 404.507 3.158 50 0 HGAARO COC(=O)c1cn(C[C@@H](c2ccc(OC)cc2)[NH+]2CCCCCC2)cc2c(=O)[nH]nc1-2 ZINC000263588840 568884511 /nfs/dbraw/zinc/88/45/11/568884511.db2.gz ZDMSQJOCFUZPLS-FQEVSTJZSA-N 1 0 424.501 3.089 50 0 HGAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=S)NCCC[NH+](C)C)CC2 ZINC000003458928 568906656 /nfs/dbraw/zinc/90/66/56/568906656.db2.gz XDOBFRGUWQXCFV-JOCHJYFZSA-N 1 0 413.587 3.478 50 0 HGAARO CS(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cc1 ZINC000670447692 568917341 /nfs/dbraw/zinc/91/73/41/568917341.db2.gz RIJMJVHFGDJHRQ-QFIPXVFZSA-N 1 0 414.571 3.366 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)CCCNC(=O)c1cccs1)c1cccc(OC)c1 ZINC000012749485 568937224 /nfs/dbraw/zinc/93/72/24/568937224.db2.gz FJGUWUSJECOTDQ-LJQANCHMSA-N 1 0 417.575 3.466 50 0 HGAARO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000004063659 568937366 /nfs/dbraw/zinc/93/73/66/568937366.db2.gz WTNJGYFYMAQZAK-TZYHBYERSA-N 1 0 402.535 3.081 50 0 biogenic HGAARO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Br)c1C ZINC000002780822 568939005 /nfs/dbraw/zinc/93/90/05/568939005.db2.gz RXYGVGZLPDFBPQ-GXSJLCMTSA-N 1 0 413.282 3.380 50 0 HGAARO O=C(NCC[NH+]1CCCCCC1)c1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000015671822 568962293 /nfs/dbraw/zinc/96/22/93/568962293.db2.gz GCGHAUSHRJSLBV-UHFFFAOYSA-N 1 0 416.595 3.315 50 0 HGAARO C[NH+](C)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675599 568964444 /nfs/dbraw/zinc/96/44/44/568964444.db2.gz HQQSCTXYBMNWLE-HSZRJFAPSA-N 1 0 414.550 3.240 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)[NH+]2CCCC2)cc1 ZINC000008193163 568981807 /nfs/dbraw/zinc/98/18/07/568981807.db2.gz WMCRFTYKQKPIRV-JOCHJYFZSA-N 1 0 407.514 3.389 50 0 HGAARO O=C(C1CCN(c2nc3cccnc3s2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000015770079 568997466 /nfs/dbraw/zinc/99/74/66/568997466.db2.gz MRIQZHQJQBZPRX-UHFFFAOYSA-N 1 0 413.591 3.385 50 0 HGAARO O=C(C[NH+]1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1)NC[C@H]1CCCO1 ZINC000038535992 568998158 /nfs/dbraw/zinc/99/81/58/568998158.db2.gz BOLYXDIHORVLGD-MRXNPFEDSA-N 1 0 424.467 3.062 50 0 HGAARO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000015773272 568998770 /nfs/dbraw/zinc/99/87/70/568998770.db2.gz NWNPCUMTJNIHBG-DEOSSOPVSA-N 1 0 405.542 3.301 50 0 HGAARO Cc1oc(-c2ccc(C(=O)NC3CCCC3)cc2)nc1C[NH+]1CCC(C(N)=O)CC1 ZINC000015774998 568999163 /nfs/dbraw/zinc/99/91/63/568999163.db2.gz OVAHLTALZQCITG-UHFFFAOYSA-N 1 0 410.518 3.020 50 0 HGAARO Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000008396283 568999601 /nfs/dbraw/zinc/99/96/01/568999601.db2.gz JVGTXDGBNVBUIS-MYPDDRRYSA-O 1 0 420.439 3.289 50 0 HGAARO COc1ccc(CN2CCN(Cc3cccn3-c3ccccn3)C[C@H]2CCO)c(F)c1 ZINC000107100662 569009149 /nfs/dbraw/zinc/00/91/49/569009149.db2.gz QTWXWSVLEIWZRJ-HXUWFJFHSA-N 1 0 424.520 3.089 50 0 HGAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)[nH+]1 ZINC000015825110 569011372 /nfs/dbraw/zinc/01/13/72/569011372.db2.gz WSMBAYMERJHIBF-UHFFFAOYSA-N 1 0 400.914 3.393 50 0 HGAARO C[C@@H](CCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1)[NH+]1CCCC1 ZINC000035398347 569035146 /nfs/dbraw/zinc/03/51/46/569035146.db2.gz MKSQZORJESRZOQ-IBGZPJMESA-N 1 0 407.562 3.351 50 0 HGAARO O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000229849868 569040784 /nfs/dbraw/zinc/04/07/84/569040784.db2.gz SJZWHCIWHXUESG-VQIMIIECSA-N 1 0 405.445 3.293 50 0 HGAARO CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)c1 ZINC000012998037 569048395 /nfs/dbraw/zinc/04/83/95/569048395.db2.gz FORKMBSMTGWXBK-NRFANRHFSA-N 1 0 417.575 3.106 50 0 HGAARO CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000240871442 569054629 /nfs/dbraw/zinc/05/46/29/569054629.db2.gz IKPGIWCZSXJBSX-LADGPHEKSA-N 1 0 407.558 3.220 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)NCC[C@@H]3CCC[N@H+]3C)csc2C1 ZINC000426691369 569073864 /nfs/dbraw/zinc/07/38/64/569073864.db2.gz YIBZPXQYWIQGBJ-INIZCTEOSA-N 1 0 402.564 3.125 50 0 HGAARO COc1ccc(C[N@H+](C[C@H](O)COCc2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000036096053 569090299 /nfs/dbraw/zinc/09/02/99/569090299.db2.gz ATUKVMYQOHLSII-FCHUYYIVSA-N 1 0 415.530 3.263 50 0 HGAARO Cc1cccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036098624 569090847 /nfs/dbraw/zinc/09/08/47/569090847.db2.gz KIUGAXJROOUJAP-JOCHJYFZSA-N 1 0 418.965 3.223 50 0 HGAARO COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCC(C)C)cc1 ZINC000036102322 569091819 /nfs/dbraw/zinc/09/18/19/569091819.db2.gz DWBZVXQFUKHYOD-HXUWFJFHSA-N 1 0 401.503 3.460 50 0 HGAARO CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C)C1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787529 569094321 /nfs/dbraw/zinc/09/43/21/569094321.db2.gz HTVQNNQLGZYRGY-FXAWDEMLSA-N 1 0 423.561 3.078 50 0 HGAARO CC[C@@H](C)[N@H+](CCNC(=O)c1ccc2c(c1)nc(C)c(=O)n2C)Cc1cccs1 ZINC000064858972 569109315 /nfs/dbraw/zinc/10/93/15/569109315.db2.gz YJEAKFANTKHVJJ-OAHLLOKOSA-N 1 0 412.559 3.334 50 0 HGAARO C[NH+](C)CCN/C=C1/c2ccccc2C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000036264087 569120471 /nfs/dbraw/zinc/12/04/71/569120471.db2.gz FJIHEJGTUMRLHA-AQTBWJFISA-N 1 0 403.404 3.385 50 0 HGAARO Cc1nn([C@@H](C)C(=O)NCC[NH+]2CCCCCC2)c(=O)c2c3ccccc3sc21 ZINC000006799186 569126226 /nfs/dbraw/zinc/12/62/26/569126226.db2.gz ATVTXCGSUXCKIU-INIZCTEOSA-N 1 0 412.559 3.473 50 0 HGAARO CC[NH+](CC)CCNC(=O)Cc1c(C)nc2c(-c3ccc(F)cc3)c(C)nn2c1C ZINC000006809165 569133285 /nfs/dbraw/zinc/13/32/85/569133285.db2.gz QCBJMPQZVHBOGR-UHFFFAOYSA-N 1 0 411.525 3.461 50 0 HGAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)CC1 ZINC000064968144 569137851 /nfs/dbraw/zinc/13/78/51/569137851.db2.gz PCQJNFZQOQFELS-UHFFFAOYSA-N 1 0 420.557 3.370 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000036341294 569141813 /nfs/dbraw/zinc/14/18/13/569141813.db2.gz YXSGMZINLQVOPX-HSZRJFAPSA-N 1 0 424.520 3.150 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000036341155 569141826 /nfs/dbraw/zinc/14/18/26/569141826.db2.gz JWAOEDROZRAGKG-HSZRJFAPSA-N 1 0 424.520 3.150 50 0 HGAARO Cc1c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006840957 569151532 /nfs/dbraw/zinc/15/15/32/569151532.db2.gz NDDRBEAKRKWCJF-GJZGRUSLSA-N 1 0 416.591 3.201 50 0 HGAARO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000065023443 569154975 /nfs/dbraw/zinc/15/49/75/569154975.db2.gz UYHIUGMSZMZMKN-LJQANCHMSA-N 1 0 411.525 3.101 50 0 HGAARO CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)CC(C)C)cnc1N1CC[NH2+]CC1 ZINC000065025384 569156324 /nfs/dbraw/zinc/15/63/24/569156324.db2.gz QQYDARUDDVWJMK-UHFFFAOYSA-N 1 0 423.561 3.138 50 0 HGAARO Cc1ccc2ncc(C(=O)NCc3ccccc3C[N@H+]3CCCC[C@@H]3C)c(=O)n2c1 ZINC000036394103 569168019 /nfs/dbraw/zinc/16/80/19/569168019.db2.gz MNJGNKMXCLGFMG-SFHVURJKSA-N 1 0 404.514 3.307 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)[C@@H]1c2ccccc2CC(=O)N1Cc1ccccc1 ZINC000065170202 569189155 /nfs/dbraw/zinc/18/91/55/569189155.db2.gz NWEOJHAURXAIDM-DEOSSOPVSA-N 1 0 405.542 3.305 50 0 HGAARO CCCNc1cc(N2CCC[C@H](CCC(=O)N3CC[NH+](CC(C)C)CC3)C2)ncn1 ZINC000065244856 569204847 /nfs/dbraw/zinc/20/48/47/569204847.db2.gz WURRQTATACMPJX-HXUWFJFHSA-N 1 0 416.614 3.095 50 0 HGAARO CC(C)c1nnc(-c2coc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)c2)o1 ZINC000065246613 569205622 /nfs/dbraw/zinc/20/56/22/569205622.db2.gz VVPMTELDNQXVFT-UHFFFAOYSA-N 1 0 408.524 3.092 50 0 HGAARO C[NH+](C)CCNC(=O)C1CCN(c2nc3ccc(-c4ccsc4)nc3s2)CC1 ZINC000065272175 569215673 /nfs/dbraw/zinc/21/56/73/569215673.db2.gz DGXLDFQGIJAMKM-UHFFFAOYSA-N 1 0 415.588 3.314 50 0 HGAARO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000065272956 569215953 /nfs/dbraw/zinc/21/59/53/569215953.db2.gz DETDDTFHRFZIKX-GOSISDBHSA-N 1 0 417.619 3.327 50 0 HGAARO O=C(NCC[NH+]1CCCCC1)[C@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273150 569216089 /nfs/dbraw/zinc/21/60/89/569216089.db2.gz GBWIXEDZKOMUQI-SFHVURJKSA-N 1 0 417.619 3.471 50 0 HGAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000037238672 569241444 /nfs/dbraw/zinc/24/14/44/569241444.db2.gz PYRMPYBBYPZIHI-IMIIHFCZSA-N 1 0 423.472 3.271 50 0 biogenic HGAARO C[C@@H]1CN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC[N@@H+]1CC(C)(C)O ZINC000170602688 569243709 /nfs/dbraw/zinc/24/37/09/569243709.db2.gz DDNVCGNCXUWTBV-LJQANCHMSA-N 1 0 418.541 3.457 50 0 HGAARO O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613423 569246912 /nfs/dbraw/zinc/24/69/12/569246912.db2.gz FSFQLCYXLPWMPS-KKSFZXQISA-N 1 0 410.514 3.041 50 0 HGAARO Cc1nn(C)c(C)c1CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000170619589 569248334 /nfs/dbraw/zinc/24/83/34/569248334.db2.gz CPPBHCCTXOFCRT-MOPGFXCFSA-N 1 0 409.452 3.433 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(NC[C@H]2CCCO2)n1 ZINC000071286035 569252251 /nfs/dbraw/zinc/25/22/51/569252251.db2.gz KADUGNOZAIBAQT-GOSISDBHSA-N 1 0 400.548 3.128 50 0 HGAARO CCOc1ccc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)cc1 ZINC000013579119 569256322 /nfs/dbraw/zinc/25/63/22/569256322.db2.gz IFLXZSNBAOHORU-LJQANCHMSA-N 1 0 422.514 3.211 50 0 HGAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000251618576 569260256 /nfs/dbraw/zinc/26/02/56/569260256.db2.gz HKPHTTBPOFZVSX-FIXDAVPBSA-N 1 0 413.606 3.316 50 0 HGAARO COc1ccc(N(C[C@H](O)C[NH2+]CCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016839622 569264265 /nfs/dbraw/zinc/26/42/65/569264265.db2.gz UXDGQBOWBKLKKA-HXUWFJFHSA-N 1 0 420.575 3.196 50 0 HGAARO Cc1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2[C@H](C)C(=O)NCC[NH+](C)C)cc1 ZINC000037428472 569298778 /nfs/dbraw/zinc/29/87/78/569298778.db2.gz XVONOJMYXHXYOG-NPPSCJOGSA-N 1 0 424.570 3.300 50 0 HGAARO Cc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1 ZINC000252695143 569320291 /nfs/dbraw/zinc/32/02/91/569320291.db2.gz VPMFYHWUKMLBMB-CVGQSACLSA-N 1 0 424.585 3.402 50 0 biogenic HGAARO Cn1cccc1C(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581819757 569320758 /nfs/dbraw/zinc/32/07/58/569320758.db2.gz INSDKBZSKSTPES-QFIPXVFZSA-N 1 0 422.573 3.001 50 0 HGAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)C2)CC1 ZINC000581819849 569320877 /nfs/dbraw/zinc/32/08/77/569320877.db2.gz OSJNYOSINXQSGE-JOCHJYFZSA-N 1 0 424.589 3.348 50 0 HGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CC[NH+]3CCSCC3)c21 ZINC000002375812 569389363 /nfs/dbraw/zinc/38/93/63/569389363.db2.gz DWDHSAAOHLDDKE-UHFFFAOYSA-N 1 0 419.547 3.049 50 0 HGAARO CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1(C)C ZINC000078714442 569419805 /nfs/dbraw/zinc/41/98/05/569419805.db2.gz WJNORECRZSHEOY-RTWAWAEBSA-N 1 0 403.611 3.456 50 0 HGAARO COCC[N@H+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(C)cc1Cl)c1ccccc1 ZINC000078751627 569420298 /nfs/dbraw/zinc/42/02/98/569420298.db2.gz IWWJGPKCTQLLAA-IBGZPJMESA-N 1 0 417.937 3.413 50 0 HGAARO Cc1c(C(=O)Nc2ccc(CC[NH+]3CCC(O)CC3)cc2)cnn1-c1ccccc1 ZINC000078947461 569421921 /nfs/dbraw/zinc/42/19/21/569421921.db2.gz PISPVNOCABRBOS-UHFFFAOYSA-N 1 0 404.514 3.432 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cnc3nc(C)cc(C)n23)cc1 ZINC000078998835 569423422 /nfs/dbraw/zinc/42/34/22/569423422.db2.gz XYAWXZZJCTZQQI-QGZVFWFLSA-N 1 0 415.563 3.227 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2ccc(-n3cncn3)cc2)[NH+]2CCCCC2)cc1 ZINC000008709512 571104514 /nfs/dbraw/zinc/10/45/14/571104514.db2.gz XNSRTJZSUUPQOW-QFIPXVFZSA-N 1 0 405.502 3.233 50 0 HGAARO Cc1cccc2c(=O)n(CCCC(=O)NCc3ccccc3C[NH+]3CCCC3)cnc12 ZINC000008726746 571108522 /nfs/dbraw/zinc/10/85/22/571108522.db2.gz DEWHYWARJDFUIJ-UHFFFAOYSA-N 1 0 418.541 3.397 50 0 HGAARO C[NH+]1CCN(Cc2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)CC1 ZINC000040089756 571159671 /nfs/dbraw/zinc/15/96/71/571159671.db2.gz KTMVVKNBBTWUMW-UHFFFAOYSA-N 1 0 402.336 3.378 50 0 HGAARO Cc1cc(=O)c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nn1-c1ccccc1F ZINC000040108508 571168076 /nfs/dbraw/zinc/16/80/76/571168076.db2.gz VHLLERWNNFLWKQ-IRXDYDNUSA-N 1 0 414.525 3.168 50 0 HGAARO COc1ccc2oc(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c(C)c2c1 ZINC000069249493 571216039 /nfs/dbraw/zinc/21/60/39/571216039.db2.gz ONYHDZSSDKLDDQ-UHFFFAOYSA-N 1 0 407.514 3.297 50 0 HGAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009320382 571247970 /nfs/dbraw/zinc/24/79/70/571247970.db2.gz GDODBXYULPSREU-CROMWVBPSA-N 1 0 421.884 3.080 50 0 HGAARO CCCCn1nc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c2ccccc2c1=O ZINC000009577351 571269930 /nfs/dbraw/zinc/26/99/30/571269930.db2.gz PIBJPGVRRHPHIO-IBGZPJMESA-N 1 0 408.502 3.357 50 0 HGAARO CC[NH+]1CCN(CCNC(=O)c2sc(Nc3ccc(C)cc3C)nc2C)CC1 ZINC000071326664 571291739 /nfs/dbraw/zinc/29/17/39/571291739.db2.gz TWNBYODHKLZHFA-UHFFFAOYSA-N 1 0 401.580 3.179 50 0 HGAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(=O)n2c3ccccc3nc2s1 ZINC000033260011 571315973 /nfs/dbraw/zinc/31/59/73/571315973.db2.gz JLTXELSFTPUSNH-UHFFFAOYSA-N 1 0 418.522 3.087 50 0 HGAARO O[C@@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2ccccn2)CC1 ZINC000006440918 132311097 /nfs/dbraw/zinc/31/10/97/132311097.db2.gz IEGXBGGRCBAVOS-HSZRJFAPSA-N 1 0 403.526 3.371 50 0 HGAARO O[C@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2ccccn2)CC1 ZINC000006440919 132311106 /nfs/dbraw/zinc/31/11/06/132311106.db2.gz IEGXBGGRCBAVOS-QHCPKHFHSA-N 1 0 403.526 3.371 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCC(=O)N2CCSc3ccccc32)C1 ZINC000006750749 132314901 /nfs/dbraw/zinc/31/49/01/132314901.db2.gz IVEKUGRBNBVFPV-ROUUACIJSA-N 1 0 403.592 3.390 50 0 HGAARO O=C(c1ccc(N2CCC([NH2+][C@@H]3CCOC3)CC2)cc1)N1CCc2ccccc2C1 ZINC000011782694 132350448 /nfs/dbraw/zinc/35/04/48/132350448.db2.gz UTEPBZMUKFECGZ-HSZRJFAPSA-N 1 0 405.542 3.232 50 0 HGAARO O=C(c1ccc(N2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1)N1CCC[C@H](O)C1 ZINC000012243508 132357696 /nfs/dbraw/zinc/35/76/96/132357696.db2.gz XRQBMTRKWZORTD-VWLOTQADSA-N 1 0 419.569 3.009 50 0 HGAARO O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012299238 132358162 /nfs/dbraw/zinc/35/81/62/132358162.db2.gz PZBUYUKXMZEDNA-UHFFFAOYSA-N 1 0 415.453 3.159 50 0 HGAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]C[C@H]3CCCO3)CC2)cc1 ZINC000012456568 132360874 /nfs/dbraw/zinc/36/08/74/132360874.db2.gz RHYUYINNGHZICW-HSZRJFAPSA-N 1 0 409.530 3.442 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2C)CC1 ZINC000012544952 132362760 /nfs/dbraw/zinc/36/27/60/132362760.db2.gz VPYORYUUJSYVKM-UHFFFAOYSA-N 1 0 422.529 3.039 50 0 HGAARO O=C(CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21)NCCC[NH+]1CCCC1 ZINC000020733685 132470914 /nfs/dbraw/zinc/47/09/14/132470914.db2.gz YXNQIMHECDATPD-JWGURIENSA-N 1 0 423.488 3.194 50 0 HGAARO COc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)[NH+]2CCCCC2)cc1 ZINC000029755193 132496225 /nfs/dbraw/zinc/49/62/25/132496225.db2.gz VTVSUERNAKSQLN-IFMALSPDSA-N 1 0 423.561 3.045 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3COc4ccccc4O3)cc2C)CC1 ZINC000031027441 521699433 /nfs/dbraw/zinc/69/94/33/521699433.db2.gz KXAHHTNENQWOGI-IBGZPJMESA-N 1 0 410.518 3.098 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccs1 ZINC000044118133 522021216 /nfs/dbraw/zinc/02/12/16/522021216.db2.gz WVRRFTGFNPVVCE-IRXDYDNUSA-N 1 0 402.520 3.290 50 0 HGAARO C[NH+](C)[C@H]1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000040355531 522102858 /nfs/dbraw/zinc/10/28/58/522102858.db2.gz KEHGMNASPBAYFC-NSHDSACASA-N 1 0 413.330 3.478 50 0 HGAARO C[N@@H+]1CCCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)CC1 ZINC000040355832 523808177 /nfs/dbraw/zinc/80/81/77/523808177.db2.gz DNEAWTJNJUEWTE-UHFFFAOYSA-N 1 0 413.330 3.480 50 0 HGAARO CCc1cc2c(ncnc2N2CCC(C(=O)NCCC[NH+](CC)CC)CC2)s1 ZINC000045802247 523849190 /nfs/dbraw/zinc/84/91/90/523849190.db2.gz WFKQPKHBZANLQK-UHFFFAOYSA-N 1 0 403.596 3.318 50 0 HGAARO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944842 524181369 /nfs/dbraw/zinc/18/13/69/524181369.db2.gz PKSJZFCVIFEIDX-HNNXBMFYSA-N 1 0 424.467 3.359 50 0 HGAARO CCCC[N@H+](C)CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000003670382 535217696 /nfs/dbraw/zinc/21/76/96/535217696.db2.gz JTIDQCNFPJQNJB-HSZRJFAPSA-N 1 0 410.518 3.122 50 0 HGAARO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3)cc2)CC1 ZINC000004621988 536423179 /nfs/dbraw/zinc/42/31/79/536423179.db2.gz PUTXZOLUENWBMZ-UHFFFAOYSA-N 1 0 404.308 3.218 50 0 HGAARO COc1ccc(C[NH2+][C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)c(F)c1 ZINC000012432135 536897852 /nfs/dbraw/zinc/89/78/52/536897852.db2.gz QCURENUJIKXKBS-HXUWFJFHSA-N 1 0 400.498 3.000 50 0 HGAARO CCC(CC)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C2CCOCC2)C3)c1C ZINC000071890382 557314966 /nfs/dbraw/zinc/31/49/66/557314966.db2.gz YONGYKPEJNUBSX-UHFFFAOYSA-N 1 0 411.550 3.031 50 0 HGAARO CCC(C)(C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C2CCOCC2)C3)c1C ZINC000071890388 557315038 /nfs/dbraw/zinc/31/50/38/557315038.db2.gz FILORMKPNRSCGX-UHFFFAOYSA-N 1 0 411.550 3.031 50 0 HGAARO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@H+](Cc3ccoc3)CC2)nc1 ZINC000034681995 557384001 /nfs/dbraw/zinc/38/40/01/557384001.db2.gz FBMJNIQIJDPUFL-UHFFFAOYSA-N 1 0 406.486 3.404 50 0 HGAARO CCOC(=O)c1ccc(NC(=O)c2cc[n+](Cc3nc4ccccc4[nH]3)cc2)cc1 ZINC000003876476 557502023 /nfs/dbraw/zinc/50/20/23/557502023.db2.gz VUELTGKQBQUJOO-UHFFFAOYSA-O 1 0 401.446 3.328 50 0 HGAARO CC[NH+](CC)CCCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccncc1 ZINC000010233228 557857757 /nfs/dbraw/zinc/85/77/57/557857757.db2.gz ZULRCNSMLDJRDU-NRFANRHFSA-N 1 0 421.497 3.474 50 0 HGAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3nc4cc(F)ccc4[nH]3)C2)CC1 ZINC000019732200 558259808 /nfs/dbraw/zinc/25/98/08/558259808.db2.gz AHQCHUQZXINDKY-LJQANCHMSA-N 1 0 423.536 3.497 50 0 HGAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)c(OC)c1OC ZINC000019741220 558261786 /nfs/dbraw/zinc/26/17/86/558261786.db2.gz RBBCBZACMRZDIH-NRFANRHFSA-N 1 0 414.546 3.090 50 0 HGAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)c1cn(Cc2ccccc2Cl)nn1 ZINC000011662517 558266137 /nfs/dbraw/zinc/26/61/37/558266137.db2.gz FHDIBWOSKOJZDW-UHFFFAOYSA-N 1 0 401.942 3.364 50 0 HGAARO CN(C(=O)CC[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1)C1CC[NH+](C)CC1 ZINC000011663659 558267295 /nfs/dbraw/zinc/26/72/95/558267295.db2.gz KMNOZNATIIRNRB-IBGZPJMESA-N 1 0 411.594 3.118 50 0 HGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)Cc1cn2ccsc2n1 ZINC000011664252 558267856 /nfs/dbraw/zinc/26/78/56/558267856.db2.gz ABXWNVUPFXNKNI-GOSISDBHSA-N 1 0 414.550 3.491 50 0 HGAARO CCn1cc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cn1 ZINC000011705008 558270875 /nfs/dbraw/zinc/27/08/75/558270875.db2.gz ASGZWHGHAYOLQW-SFHVURJKSA-N 1 0 414.550 3.229 50 0 HGAARO COc1cccc(CCC(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccncc4)CC3)O2)c1 ZINC000011790201 558277222 /nfs/dbraw/zinc/27/72/22/558277222.db2.gz WHNLOPIZBXUDON-HSZRJFAPSA-N 1 0 423.557 3.353 50 0 HGAARO Cc1occc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000011817416 558280544 /nfs/dbraw/zinc/28/05/44/558280544.db2.gz USDHZMJNAMCBAN-HXUWFJFHSA-N 1 0 409.530 3.221 50 0 HGAARO O=C(NCCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011821294 558284591 /nfs/dbraw/zinc/28/45/91/558284591.db2.gz OLDKGFPERXMQMG-HSZRJFAPSA-N 1 0 406.574 3.117 50 0 HGAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000011871676 558290441 /nfs/dbraw/zinc/29/04/41/558290441.db2.gz BNJYLSAEGRKRIW-HXUWFJFHSA-N 1 0 412.530 3.426 50 0 HGAARO C[C@@H](CC[NH+]1CCC2(CC[C@H](CNC(=O)c3ccn(C)n3)O2)CC1)c1ccccc1 ZINC000011872309 558290451 /nfs/dbraw/zinc/29/04/51/558290451.db2.gz KEXOPHKQGXJACL-PZJWPPBQSA-N 1 0 410.562 3.357 50 0 HGAARO O=C(NC1CC1)C1CC[NH+](C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)CC1 ZINC000011873214 558290996 /nfs/dbraw/zinc/29/09/96/558290996.db2.gz DBBCDQSZTWIOJH-UHFFFAOYSA-N 1 0 419.953 3.024 50 0 HGAARO CCc1ccc(CN(C)Cc2ccc(OC[C@H](O)C[N@H+](C)C(C)C)c(OC)c2)nc1 ZINC000011874204 558291928 /nfs/dbraw/zinc/29/19/28/558291928.db2.gz VTTXERGMIROCGG-JOCHJYFZSA-N 1 0 415.578 3.365 50 0 HGAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1cn(CCc2ccccc2)nn1 ZINC000011874816 558292550 /nfs/dbraw/zinc/29/25/50/558292550.db2.gz VNUSAFNJNZKSSU-JOCHJYFZSA-N 1 0 403.530 3.130 50 0 HGAARO COc1ccc2cc(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)c(=O)n(C)c2c1 ZINC000019853921 558296083 /nfs/dbraw/zinc/29/60/83/558296083.db2.gz PPBROSNNJJJMMJ-RMKNXTFCSA-N 1 0 403.526 3.378 50 0 HGAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc3cccnc32)CC1)[C@@H]1CCOC1 ZINC000011934857 558298896 /nfs/dbraw/zinc/29/88/96/558298896.db2.gz AVLUPNJLFHQYCK-LJQANCHMSA-N 1 0 405.502 3.243 50 0 HGAARO CCCc1cc(CN(C)Cc2ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c2)[nH]n1 ZINC000011935391 558299373 /nfs/dbraw/zinc/29/93/73/558299373.db2.gz ZXCNWDMIPBCYRE-NRFANRHFSA-N 1 0 418.582 3.083 50 0 HGAARO COCC[NH+]1CCC(CN(Cc2nc(-c3ccccc3)no2)Cc2ccncc2)CC1 ZINC000011938346 558301776 /nfs/dbraw/zinc/30/17/76/558301776.db2.gz DMJXIRMOITVWCJ-UHFFFAOYSA-N 1 0 421.545 3.492 50 0 HGAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccc(OCCO)cc3)CC2)O1)c1ccccc1 ZINC000011970510 558304675 /nfs/dbraw/zinc/30/46/75/558304675.db2.gz NBMZMQXMFFIKDZ-HSZRJFAPSA-N 1 0 424.541 3.001 50 0 HGAARO Cc1ncoc1C(=O)N1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000012050637 558313804 /nfs/dbraw/zinc/31/38/04/558313804.db2.gz CNWZWLDSRJOOIX-NRFANRHFSA-N 1 0 424.545 3.006 50 0 HGAARO Cc1c2ccccc2[nH]c1C[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1 ZINC000012072384 558317724 /nfs/dbraw/zinc/31/77/24/558317724.db2.gz HWIIMKYATPZISH-KRWDZBQOSA-N 1 0 407.518 3.485 50 0 HGAARO COc1ccc(CN(C)Cc2csc(C)n2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012197969 558350584 /nfs/dbraw/zinc/35/05/84/558350584.db2.gz KHNUIOFLFDUAJZ-HXUWFJFHSA-N 1 0 419.591 3.318 50 0 HGAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)CSc2ccccc2)CC1 ZINC000012209068 558353529 /nfs/dbraw/zinc/35/35/29/558353529.db2.gz MTAVARUKRDHCOM-HXUWFJFHSA-N 1 0 406.592 3.145 50 0 HGAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c2ccccc12 ZINC000012281201 558365218 /nfs/dbraw/zinc/36/52/18/558365218.db2.gz HSUIGNNTKNPLQR-QGZVFWFLSA-N 1 0 421.545 3.331 50 0 HGAARO CC(C)c1c(C(=O)N2CCC[N@H+](C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012281655 558365498 /nfs/dbraw/zinc/36/54/98/558365498.db2.gz NMUPGXUEDYGFHF-UHFFFAOYSA-N 1 0 422.508 3.370 50 0 HGAARO COc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)c(OC)n1 ZINC000012303586 558373137 /nfs/dbraw/zinc/37/31/37/558373137.db2.gz JWGQTGLLPXJQOD-UHFFFAOYSA-N 1 0 415.509 3.265 50 0 HGAARO O=C(CCc1cnccn1)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012306814 558375668 /nfs/dbraw/zinc/37/56/68/558375668.db2.gz JVXSCSAVTQIIHS-UHFFFAOYSA-N 1 0 407.562 3.488 50 0 HGAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)Cn2cncn2)c(F)c1 ZINC000012431627 558406274 /nfs/dbraw/zinc/40/62/74/558406274.db2.gz XPPFNTRQPDYWGI-MRXNPFEDSA-N 1 0 406.465 3.457 50 0 HGAARO Cc1ccoc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012437819 558409527 /nfs/dbraw/zinc/40/95/27/558409527.db2.gz QACQQCAJZHTJJC-HXUWFJFHSA-N 1 0 409.530 3.221 50 0 HGAARO Cc1c(C)c2ccc(OC[C@@H](O)C[NH2+]CCc3c[nH]c4ccccc34)cc2oc1=O ZINC000020760919 558411202 /nfs/dbraw/zinc/41/12/02/558411202.db2.gz PKEYNYJJDHITJX-SFHVURJKSA-N 1 0 406.482 3.463 50 0 biogenic HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)[C@H]2CCOC2)c1 ZINC000012439844 558411359 /nfs/dbraw/zinc/41/13/59/558411359.db2.gz MPKULUYQHBBLAF-SFHVURJKSA-N 1 0 402.535 3.342 50 0 HGAARO COC(=O)CCCNC(=O)c1ccc(OC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012440505 558411728 /nfs/dbraw/zinc/41/17/28/558411728.db2.gz IERPKCGNPYPUEX-UHFFFAOYSA-N 1 0 418.534 3.164 50 0 HGAARO COc1cc(CC(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)cc(OC)c1OC ZINC000012454948 558416915 /nfs/dbraw/zinc/41/69/15/558416915.db2.gz ASGOUDXWGYJTBR-IBGZPJMESA-N 1 0 404.551 3.416 50 0 HGAARO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1CCCc1ccccc1 ZINC000020906101 558420777 /nfs/dbraw/zinc/42/07/77/558420777.db2.gz RAGWCKBORKWYSY-RUZDIDTESA-N 1 0 404.558 3.374 50 0 HGAARO Cc1ccc(C)c(OCc2cc(C(=O)NCCCCC[NH+]3CCOCC3)no2)c1 ZINC000020906377 558421064 /nfs/dbraw/zinc/42/10/64/558421064.db2.gz QBUPTEJRCMFAMS-UHFFFAOYSA-N 1 0 401.507 3.103 50 0 HGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1snnc1C ZINC000012593898 558436878 /nfs/dbraw/zinc/43/68/78/558436878.db2.gz FMPFSGXFGITNEB-SFHVURJKSA-N 1 0 402.564 3.272 50 0 HGAARO COc1cc(C(=O)N2CCC[C@H](O)C2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012612562 558438978 /nfs/dbraw/zinc/43/89/78/558438978.db2.gz UPBSVGXZZJGWHG-IBGZPJMESA-N 1 0 402.535 3.078 50 0 HGAARO Cc1ccccc1Cn1cc(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)nn1 ZINC000012713735 558454083 /nfs/dbraw/zinc/45/40/83/558454083.db2.gz VGJYJOVZSKQUQI-QFIPXVFZSA-N 1 0 403.530 3.244 50 0 HGAARO O=C1CCCN1c1ccc(C[NH2+]Cc2ccc(OCCO)cc2Br)cc1 ZINC000012796214 558468880 /nfs/dbraw/zinc/46/88/80/558468880.db2.gz PYWHLIDVIJHILB-UHFFFAOYSA-N 1 0 419.319 3.237 50 0 HGAARO COc1ccc(-c2noc(CCC(=O)NC[C@@H](c3ccc(OC)cc3)[NH+](C)C)n2)cc1 ZINC000022621370 558503157 /nfs/dbraw/zinc/50/31/57/558503157.db2.gz OWIYHRIVXBDEHF-FQEVSTJZSA-N 1 0 424.501 3.106 50 0 HGAARO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](C(C)C)[NH+](C)C ZINC000022754473 558508105 /nfs/dbraw/zinc/50/81/05/558508105.db2.gz VGXMPTSHGXICLL-SJORKVTESA-N 1 0 402.366 3.450 50 0 HGAARO C[C@H](C(=O)Nc1sccc1C(N)=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022785957 558510890 /nfs/dbraw/zinc/51/08/90/558510890.db2.gz HOGZBYPAVBFBPP-MRXNPFEDSA-N 1 0 422.554 3.145 50 0 HGAARO c1nc2sc3c(c2c(NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)n1)CCCCC3 ZINC000022956838 558528052 /nfs/dbraw/zinc/52/80/52/558528052.db2.gz SNFWNUOFFUWDSD-WBVHZDCISA-N 1 0 402.564 3.109 50 0 HGAARO Cc1cc(N2CCCN(C(=O)[C@@H]3CCC(=O)N(Cc4cccc(F)c4)C3)CC2)cc[nH+]1 ZINC000023214477 558542917 /nfs/dbraw/zinc/54/29/17/558542917.db2.gz CVPWWXFMGHMXRS-HXUWFJFHSA-N 1 0 424.520 3.007 50 0 HGAARO CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C(C)C)cc1 ZINC000023238401 558544917 /nfs/dbraw/zinc/54/49/17/558544917.db2.gz AIOGJFNBFFFSMM-ICSRJNTNSA-N 1 0 417.575 3.320 50 0 HGAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccc4nonc43)C2)CC1 ZINC000023373986 558554121 /nfs/dbraw/zinc/55/41/21/558554121.db2.gz RFCKWPUKMGJAKY-IBGZPJMESA-N 1 0 407.518 3.018 50 0 HGAARO Cc1noc2nc(-c3cccs3)cc(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c12 ZINC000023509677 558560387 /nfs/dbraw/zinc/56/03/87/558560387.db2.gz CISDEXNLVBRHEI-OKILXGFUSA-N 1 0 414.531 3.489 50 0 HGAARO CCN1CCN(C(=O)[C@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000024177950 558590992 /nfs/dbraw/zinc/59/09/92/558590992.db2.gz VAXIYHFGOSSRCP-UGKGYDQZSA-N 1 0 404.558 3.442 50 0 HGAARO CCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccc(F)cc3)CC1)n2C ZINC000013817287 558596193 /nfs/dbraw/zinc/59/61/93/558596193.db2.gz AKIIOJFKUGPYLI-UHFFFAOYSA-N 1 0 409.509 3.426 50 0 HGAARO CC(C)CC[C@H](C)[NH+](C[C@@H](O)COCc1ccco1)C[C@@H](O)COCc1ccco1 ZINC000025051822 558628863 /nfs/dbraw/zinc/62/88/63/558628863.db2.gz GMVQJAPQQYZGFA-PWRODBHTSA-N 1 0 423.550 3.455 50 0 HGAARO COc1cc(C(C)=O)ccc1OCC(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025534951 558642902 /nfs/dbraw/zinc/64/29/02/558642902.db2.gz KIDJPEQIOOBKOY-QFIPXVFZSA-N 1 0 424.541 3.476 50 0 HGAARO COc1ccc(C[N@H+](C)C[C@H](O)COc2cccc(Br)c2)cc1OC ZINC000014245978 558647002 /nfs/dbraw/zinc/64/70/02/558647002.db2.gz MTBPKQILBWFYII-INIZCTEOSA-N 1 0 410.308 3.338 50 0 HGAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1Cl)C2 ZINC000014532831 558656894 /nfs/dbraw/zinc/65/68/94/558656894.db2.gz JXVDCJGDKMTKJG-QGZVFWFLSA-N 1 0 400.954 3.482 50 0 HGAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)N2CCCCC2)C[N@H+](Cc2ccncc2)C1 ZINC000014745296 558668757 /nfs/dbraw/zinc/66/87/57/558668757.db2.gz NOGOJYFWPCSDJT-UXHICEINSA-N 1 0 424.520 3.310 50 0 HGAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([N@H+](C)Cc1ccsc1)C2 ZINC000014745994 558669134 /nfs/dbraw/zinc/66/91/34/558669134.db2.gz JRIIHWCMYIFXPM-INIZCTEOSA-N 1 0 404.605 3.143 50 0 HGAARO COc1cccc(C[NH2+][C@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)c1 ZINC000014749318 558670402 /nfs/dbraw/zinc/67/04/02/558670402.db2.gz HNCPTFGJDDGIPF-FQEVSTJZSA-N 1 0 418.541 3.289 50 0 HGAARO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000027498455 558673691 /nfs/dbraw/zinc/67/36/91/558673691.db2.gz PJWWVYFGFMHCKH-YADHBBJMSA-N 1 0 422.529 3.152 50 0 HGAARO COc1cccc(OC)c1C[NH+]1CCC2(C[C@H]2C(=O)N(C)Cc2cscn2)CC1 ZINC000014888836 558677969 /nfs/dbraw/zinc/67/79/69/558677969.db2.gz DQUPPOARAAHQEX-SFHVURJKSA-N 1 0 415.559 3.421 50 0 HGAARO CCn1nc(C)c([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)c1C ZINC000014956425 558682747 /nfs/dbraw/zinc/68/27/47/558682747.db2.gz QZZLMONVJYWHPD-SKPFHBQLSA-N 1 0 408.546 3.466 50 0 HGAARO COc1cccc(-c2noc(-c3ccc(N4CC[N@@H+]5CCC[C@@H]5C4)nc3)n2)c1OC ZINC000014966653 558685911 /nfs/dbraw/zinc/68/59/11/558685911.db2.gz ISKDFIMWBKCDHK-MRXNPFEDSA-N 1 0 407.474 3.100 50 0 HGAARO O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(=O)N(CC[NH+]2CCCC2)CC1 ZINC000014968414 558686656 /nfs/dbraw/zinc/68/66/56/558686656.db2.gz JTVQQALFYVRVSC-UHFFFAOYSA-N 1 0 409.505 3.263 50 0 HGAARO CC(C)c1ccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1 ZINC000014990802 558694330 /nfs/dbraw/zinc/69/43/30/558694330.db2.gz PTCVCNOGYZQDPH-UHFFFAOYSA-N 1 0 417.557 3.319 50 0 HGAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@H]2CCc3ccccc3O2)cc1 ZINC000015000321 558697676 /nfs/dbraw/zinc/69/76/76/558697676.db2.gz IZJQXVXKKGMYOL-FGZHOGPDSA-N 1 0 422.525 3.338 50 0 HGAARO O=C(CCc1c[nH]c2ccccc12)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000072276927 558702527 /nfs/dbraw/zinc/70/25/27/558702527.db2.gz GAUQPSKYBDGNSK-UHFFFAOYSA-N 1 0 424.589 3.331 50 0 HGAARO COc1cc(Cl)c(C[N@@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)cc1OC ZINC000015070776 558712560 /nfs/dbraw/zinc/71/25/60/558712560.db2.gz DVYJVDIJGUOFMH-MRXNPFEDSA-N 1 0 410.942 3.208 50 0 HGAARO CSc1ccc(C[NH+]2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)cc1 ZINC000015077512 558717183 /nfs/dbraw/zinc/71/71/83/558717183.db2.gz XALLOJGLXIOKGX-KRWDZBQOSA-N 1 0 400.548 3.417 50 0 HGAARO COc1ccc([C@@H](CNC(=O)[C@H]2CCCN(c3cnccn3)C2)[NH+]2CCCCC2)cc1 ZINC000029755195 558720140 /nfs/dbraw/zinc/72/01/40/558720140.db2.gz VTVSUERNAKSQLN-RBBKRZOGSA-N 1 0 423.561 3.045 50 0 HGAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000030551794 558732668 /nfs/dbraw/zinc/73/26/68/558732668.db2.gz AKUJDBGQTGUTKE-UHFFFAOYSA-N 1 0 416.525 3.208 50 0 HGAARO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000072304914 558756711 /nfs/dbraw/zinc/75/67/11/558756711.db2.gz YAYOMZWHQGTVCH-FUHWJXTLSA-N 1 0 413.484 3.123 50 0 HGAARO C[C@@H](CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000035421894 558791471 /nfs/dbraw/zinc/79/14/71/558791471.db2.gz NLMMDQQWLWYXSP-KRWDZBQOSA-N 1 0 415.484 3.033 50 0 HGAARO CCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)cc1 ZINC000035421891 558791544 /nfs/dbraw/zinc/79/15/44/558791544.db2.gz VROPZMBNZDTCFK-FQEVSTJZSA-N 1 0 423.557 3.153 50 0 HGAARO C[C@@H](CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000035421892 558791567 /nfs/dbraw/zinc/79/15/67/558791567.db2.gz WNLUVGVBRZHHQY-SFHVURJKSA-N 1 0 413.949 3.408 50 0 HGAARO Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000071889486 558807916 /nfs/dbraw/zinc/80/79/16/558807916.db2.gz FLOCFINSWRPYSX-UHFFFAOYSA-N 1 0 407.493 3.411 50 0 HGAARO O=C1C2=C(CCCC2)[C@H]([NH2+]CCCN2CCOCC2)N1CCc1ccc(Cl)cc1 ZINC000004591159 558829231 /nfs/dbraw/zinc/82/92/31/558829231.db2.gz HPHJUSKSLGUJEH-JOCHJYFZSA-N 1 0 417.981 3.233 50 0 HGAARO Cc1nnc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)s1 ZINC000033010990 558830286 /nfs/dbraw/zinc/83/02/86/558830286.db2.gz WEADVBUPFMZVSQ-UHFFFAOYSA-N 1 0 413.547 3.189 50 0 HGAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(N4CCNC4=O)cc3)C2)cc1OC ZINC000019223698 558852427 /nfs/dbraw/zinc/85/24/27/558852427.db2.gz YVCBCJJHVFADSM-LJQANCHMSA-N 1 0 423.513 3.328 50 0 HGAARO COc1ccc2ccc(OCc3nc(C(=O)N(C)C[C@@H]4CC[N@H+](C)C4)co3)cc2c1 ZINC000067975022 558862552 /nfs/dbraw/zinc/86/25/52/558862552.db2.gz IZOVCDDBXUQNFG-MRXNPFEDSA-N 1 0 409.486 3.439 50 0 HGAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000055108222 558872831 /nfs/dbraw/zinc/87/28/31/558872831.db2.gz NXMOZXSDMHSJLT-QFIPXVFZSA-N 1 0 407.558 3.441 50 0 HGAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CC[NH+](C2CCCCC2)CC1 ZINC000019372020 558879570 /nfs/dbraw/zinc/87/95/70/558879570.db2.gz HXLSTRUOQIOACT-UHFFFAOYSA-N 1 0 412.534 3.233 50 0 HGAARO COc1ccc(-n2ncc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000055526895 558881795 /nfs/dbraw/zinc/88/17/95/558881795.db2.gz GWGXKLPOBVUBID-UHFFFAOYSA-N 1 0 400.486 3.146 50 0 HGAARO COc1cc(OC)c(OC)c2[nH]c(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)cc21 ZINC000033047449 558883805 /nfs/dbraw/zinc/88/38/05/558883805.db2.gz JKSNCMZFHYXTPV-OAHLLOKOSA-N 1 0 403.504 3.288 50 0 HGAARO CCOc1cc(/C=C/C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1OC(F)F ZINC000058017753 558895628 /nfs/dbraw/zinc/89/56/28/558895628.db2.gz XOONOSBGFTWWMK-KOEDOTQGSA-N 1 0 424.488 3.413 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-c2nc3ccccc3n(C)c2=O)cc1 ZINC000033171806 558900505 /nfs/dbraw/zinc/90/05/05/558900505.db2.gz BGUPJDGQBLUKJQ-KRWDZBQOSA-N 1 0 404.514 3.205 50 0 HGAARO Cc1csc(=O)n1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058169688 558907858 /nfs/dbraw/zinc/90/78/58/558907858.db2.gz FTGHWXHSDKETHR-UHFFFAOYSA-N 1 0 422.554 3.179 50 0 HGAARO CCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000058201874 558911318 /nfs/dbraw/zinc/91/13/18/558911318.db2.gz DCXBKGOVZDHQPG-CEXWTWQISA-N 1 0 403.567 3.078 50 0 HGAARO CCNc1cc(N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)nc(C)[nH+]1 ZINC000065364570 558975798 /nfs/dbraw/zinc/97/57/98/558975798.db2.gz SZXDJYHLIIHNTI-UHFFFAOYSA-N 1 0 419.327 3.333 50 0 HGAARO C[C@H]1CNC(=O)CC[N@@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072469443 558983330 /nfs/dbraw/zinc/98/33/30/558983330.db2.gz IJLFLFGUNPEJPQ-AWEZNQCLSA-N 1 0 407.445 3.480 50 0 HGAARO C[NH+](C)CCOc1cccc2c1c(NC(=O)[C@@H]1CCCO1)nn2-c1ccc(F)cc1 ZINC000072479491 558983997 /nfs/dbraw/zinc/98/39/97/558983997.db2.gz GDDGIFYCFLLFEC-IBGZPJMESA-N 1 0 412.465 3.223 50 0 HGAARO CCOc1ccccc1NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127545 559016068 /nfs/dbraw/zinc/01/60/68/559016068.db2.gz JFGYLRMWOUIUMD-UHFFFAOYSA-N 1 0 401.532 3.114 50 0 HGAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000082120772 559039395 /nfs/dbraw/zinc/03/93/95/559039395.db2.gz UAHCOMRGRKTKSD-SFHVURJKSA-N 1 0 413.953 3.127 50 0 HGAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3nccs3)CC2)C1 ZINC000082121804 559039713 /nfs/dbraw/zinc/03/97/13/559039713.db2.gz YGWCALAKJZTGTP-HXUWFJFHSA-N 1 0 412.603 3.178 50 0 HGAARO CC(C)OC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082126440 559039790 /nfs/dbraw/zinc/03/97/90/559039790.db2.gz BOSFUQSPQLXBML-HXUWFJFHSA-N 1 0 401.551 3.067 50 0 HGAARO COc1c(C)cnc(C[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c1C ZINC000091547601 559072150 /nfs/dbraw/zinc/07/21/50/559072150.db2.gz UCVHCFDAPNABEE-IBGZPJMESA-N 1 0 401.551 3.091 50 0 HGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(=O)n(C)c1 ZINC000095498192 559081818 /nfs/dbraw/zinc/08/18/18/559081818.db2.gz UQNGOSYQHYUMBB-GOSISDBHSA-N 1 0 401.938 3.065 50 0 HGAARO O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095512922 559084472 /nfs/dbraw/zinc/08/44/72/559084472.db2.gz VCNQOTOPTWYLKS-GOSISDBHSA-N 1 0 400.494 3.495 50 0 HGAARO COc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000011614405 559113648 /nfs/dbraw/zinc/11/36/48/559113648.db2.gz HAQQFEPKFLSCPR-FQEVSTJZSA-N 1 0 410.445 3.438 50 0 HGAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1c(Cl)c(C(F)(F)F)nn1C ZINC000097717252 559120558 /nfs/dbraw/zinc/12/05/58/559120558.db2.gz BJUWVZPRLWYBFK-LLVKDONJSA-N 1 0 400.832 3.269 50 0 HGAARO Cc1ccc(C[N@@H+]2CCc3nc(N(C)Cc4cccnc4)[nH]c(=O)c3CC2)cc1C ZINC000257197406 559189821 /nfs/dbraw/zinc/18/98/21/559189821.db2.gz NYSOBPRKFCNMJX-UHFFFAOYSA-N 1 0 403.530 3.431 50 0 HGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1-n1cnc2ccccc2c1=O ZINC000257198686 559189877 /nfs/dbraw/zinc/18/98/77/559189877.db2.gz FZXYMWKDMRGFDF-PGRDOPGGSA-N 1 0 416.525 3.380 50 0 biogenic HGAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccccc3)nc1=O)CCC2 ZINC000004851842 559191323 /nfs/dbraw/zinc/19/13/23/559191323.db2.gz DISCYMALTCSIDI-UHFFFAOYSA-N 1 0 414.575 3.195 50 0 HGAARO COc1ccc(-c2noc(CN(C)C[C@H]3CC[N@H+](CC(C)C)C3)n2)c(OC)c1OC ZINC000011702174 559227691 /nfs/dbraw/zinc/22/76/91/559227691.db2.gz AAQIRZFOIGEPFK-MRXNPFEDSA-N 1 0 418.538 3.172 50 0 HGAARO COc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCC[NH+](C)C)cc1 ZINC000005032059 559231305 /nfs/dbraw/zinc/23/13/05/559231305.db2.gz PRABQPXMQNMVAT-HKWRFOASSA-N 1 0 415.921 3.187 50 0 HGAARO O=c1occ(C[NH+]2CCc3ccccc3C2)c([O-])c1C[N@@H+]1CCc2ccccc2C1 ZINC000100797315 559268177 /nfs/dbraw/zinc/26/81/77/559268177.db2.gz FPSAKSFAKSRONC-UHFFFAOYSA-N 1 0 402.494 3.462 50 0 biogenic HGAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C[C@H](C)O2 ZINC000103706709 560844231 /nfs/dbraw/zinc/84/42/31/560844231.db2.gz CJWXNQKTDINBEM-AQNXPRMDSA-N 1 0 415.578 3.373 50 0 HGAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000025182369 560891322 /nfs/dbraw/zinc/89/13/22/560891322.db2.gz NKDLBWHEJZNRDE-NRFANRHFSA-N 1 0 419.481 3.117 50 0 HGAARO C[NH+]1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3ccccc3F)n2)CC1 ZINC000044854572 560897552 /nfs/dbraw/zinc/89/75/52/560897552.db2.gz RMSMIELWZNLWKH-UHFFFAOYSA-N 1 0 417.492 3.015 50 0 HGAARO CCOC(=O)c1c(C)c(CCC(=O)N2CC[NH+](C3CCCCC3)CC2)c(C)n1C ZINC000046046591 568425742 /nfs/dbraw/zinc/42/57/42/568425742.db2.gz WXWWZUOBRJADQO-UHFFFAOYSA-N 1 0 403.567 3.228 50 0 HGAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000047732877 568431152 /nfs/dbraw/zinc/43/11/52/568431152.db2.gz BILYUNOSQRWUNV-JOCHJYFZSA-N 1 0 417.513 3.250 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccsc1 ZINC000048249071 568433392 /nfs/dbraw/zinc/43/33/92/568433392.db2.gz QQTZSUVRGRUIJQ-YLJYHZDGSA-N 1 0 417.550 3.087 50 0 HGAARO Cc1ccc(-c2noc(CCC[N@@H+]3CCCN(C(=O)c4ccccn4)CC3)n2)cc1F ZINC000048299533 568437094 /nfs/dbraw/zinc/43/70/94/568437094.db2.gz QSPWYOHVGHZCQD-UHFFFAOYSA-N 1 0 423.492 3.360 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2ncc3ccccc3c2=O)C1 ZINC000048342587 568440556 /nfs/dbraw/zinc/44/05/56/568440556.db2.gz GVVFWOHXPSSHQV-RTBURBONSA-N 1 0 418.541 3.191 50 0 HGAARO CSc1ncc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1-c1ccccc1 ZINC000048355736 568441504 /nfs/dbraw/zinc/44/15/04/568441504.db2.gz LJYDFLFZUYACKS-CALCHBBNSA-N 1 0 402.564 3.213 50 0 HGAARO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2cccc(C)c2)CC3)cc1 ZINC000049400926 568447643 /nfs/dbraw/zinc/44/76/43/568447643.db2.gz RCGVRFCRBAQAAV-UHFFFAOYSA-N 1 0 416.525 3.366 50 0 HGAARO CN1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)[C@@H](c2ccccc2)C1 ZINC000024838978 568470753 /nfs/dbraw/zinc/47/07/53/568470753.db2.gz DGFUJRHSNXVMCR-JOCHJYFZSA-N 1 0 416.525 3.252 50 0 HGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000604405084 568492490 /nfs/dbraw/zinc/49/24/90/568492490.db2.gz WBAKMLPKKFXQPV-AZUAARDMSA-N 1 0 403.523 3.218 50 0 biogenic HGAARO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)Cc3ccc4c(c3)OCO4)cc2)C[C@H]1C ZINC000095460124 568620021 /nfs/dbraw/zinc/62/00/21/568620021.db2.gz QRIHZMYOWSLACY-RTBURBONSA-N 1 0 424.541 3.283 50 0 HGAARO CCOCCC[N@@H+]1CC[C@H](N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)[C@H](C)C1 ZINC000225456887 568639711 /nfs/dbraw/zinc/63/97/11/568639711.db2.gz UCENJBIKSGKDRS-APWZRJJASA-N 1 0 407.942 3.241 50 0 HGAARO C[C@@H](c1ncc(Br)cn1)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000225521182 568646379 /nfs/dbraw/zinc/64/63/79/568646379.db2.gz GZQZZPJUUNWKAM-INIZCTEOSA-N 1 0 404.356 3.054 50 0 HGAARO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1NC(=O)C1=CSCCO1 ZINC000021019807 568658074 /nfs/dbraw/zinc/65/80/74/568658074.db2.gz JMOZPKQNHMJMKS-MRXNPFEDSA-N 1 0 417.575 3.390 50 0 HGAARO COc1ccc2cc(CN(C)C(=O)C[N@H+](C)C[C@@H]3CCn4ccnc4C3)ccc2c1 ZINC000225671891 568662702 /nfs/dbraw/zinc/66/27/02/568662702.db2.gz NYHCMLOXEUVQOZ-LJQANCHMSA-N 1 0 406.530 3.198 50 0 HGAARO C[N@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)C1(CCO)CCOCC1 ZINC000095995985 568678912 /nfs/dbraw/zinc/67/89/12/568678912.db2.gz ZAIYARUOXWKPFR-UHFFFAOYSA-N 1 0 415.559 3.176 50 0 HGAARO O=C(NCCc1ccc2c(c1)OCO2)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000021366661 568690852 /nfs/dbraw/zinc/69/08/52/568690852.db2.gz FABXDIXAZSWYSH-UHFFFAOYSA-N 1 0 413.493 3.308 50 0 HGAARO CSC[C@H](C)[NH+]1CCC(n2nccc2NS(=O)(=O)Cc2ccccc2)CC1 ZINC000097413423 568716993 /nfs/dbraw/zinc/71/69/93/568716993.db2.gz DSQMDEXUMXCDMW-INIZCTEOSA-N 1 0 408.593 3.213 50 0 HGAARO CSC[C@@H](C)[NH+]1CCC(n2nccc2NS(=O)(=O)Cc2ccccc2)CC1 ZINC000097413424 568717097 /nfs/dbraw/zinc/71/70/97/568717097.db2.gz DSQMDEXUMXCDMW-MRXNPFEDSA-N 1 0 408.593 3.213 50 0 HGAARO O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014990460 568718585 /nfs/dbraw/zinc/71/85/85/568718585.db2.gz PSBWLZAYCKPSDO-ZFGGDYGUSA-N 1 0 406.526 3.382 50 0 HGAARO COc1ccc(CN(C)[C@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1 ZINC000025052218 568739802 /nfs/dbraw/zinc/73/98/02/568739802.db2.gz PCCZTWUIVLOLDD-SFHVURJKSA-N 1 0 402.878 3.430 50 0 HGAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000052167178 568758873 /nfs/dbraw/zinc/75/88/73/568758873.db2.gz LLSJFYWYZVJLLG-UHFFFAOYSA-N 1 0 416.525 3.208 50 0 HGAARO Cc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)N2CC[NH+](C)CC2)cc1 ZINC000022582586 568770771 /nfs/dbraw/zinc/77/07/71/568770771.db2.gz SHRIMHQQFPRCFU-MRXNPFEDSA-N 1 0 406.324 3.069 50 0 HGAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000028015188 568777558 /nfs/dbraw/zinc/77/75/58/568777558.db2.gz AGMJGNUMKLYFTO-MRXNPFEDSA-N 1 0 407.967 3.479 50 0 HGAARO O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Cl ZINC000056327907 568801477 /nfs/dbraw/zinc/80/14/77/568801477.db2.gz POHUCDHQPYNNJB-UHFFFAOYSA-N 1 0 414.358 3.094 50 0 HGAARO CSc1cccc(N2C[C@@H](C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CC2=O)c1 ZINC000029836459 568836820 /nfs/dbraw/zinc/83/68/20/568836820.db2.gz BKBHCWNJKVMAOS-JXFKEZNVSA-N 1 0 415.534 3.320 50 0 HGAARO CCCS(=O)(=O)Nc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000012526129 568843096 /nfs/dbraw/zinc/84/30/96/568843096.db2.gz SRHFRXPCCAFAKX-UHFFFAOYSA-N 1 0 415.559 3.186 50 0 HGAARO Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)c3cccc(F)c3)CC2)c1 ZINC000030361116 568862039 /nfs/dbraw/zinc/86/20/39/568862039.db2.gz JRUSEWLOJJWZEK-UHFFFAOYSA-N 1 0 405.539 3.015 50 0 HGAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000057992085 568873099 /nfs/dbraw/zinc/87/30/99/568873099.db2.gz RKQZVYFIUMOCFC-PDOGEWKWSA-N 1 0 419.481 3.134 50 0 biogenic HGAARO COc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]CCSC)C4)cc1 ZINC000299763335 568873625 /nfs/dbraw/zinc/87/36/25/568873625.db2.gz UNXBMZPQFOWUMJ-OAHLLOKOSA-N 1 0 415.584 3.325 50 0 HGAARO CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]CCc3ccccc3F)CC2)c1 ZINC000299786076 568875681 /nfs/dbraw/zinc/87/56/81/568875681.db2.gz STTMOGZNOCVBTI-UHFFFAOYSA-N 1 0 405.539 3.388 50 0 HGAARO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000299798423 568876479 /nfs/dbraw/zinc/87/64/79/568876479.db2.gz UEOMTZHYUVKQGN-INIZCTEOSA-N 1 0 420.517 3.214 50 0 HGAARO CCn1c(=O)cc(OCC(=O)NCCC[N@H+](CC)Cc2ccccc2)c2ccccc21 ZINC000004034835 568879395 /nfs/dbraw/zinc/87/93/95/568879395.db2.gz JGXCMIJLNVGIFM-UHFFFAOYSA-N 1 0 421.541 3.429 50 0 HGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000003504280 568910715 /nfs/dbraw/zinc/91/07/15/568910715.db2.gz JPLQYUUFHCUUDC-IRXDYDNUSA-N 1 0 401.532 3.289 50 0 HGAARO O=C1NC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)n2nc(-c3cccs3)cc21 ZINC000263619140 568912199 /nfs/dbraw/zinc/91/21/99/568912199.db2.gz XDZCFNKIWDSGPS-OAQYLSRUSA-N 1 0 407.543 3.108 50 0 HGAARO COc1ccc([C@H]2Sc3ccccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000000621890 568929983 /nfs/dbraw/zinc/92/99/83/568929983.db2.gz HSUGRBWQSSZJOP-NHCUHLMSSA-N 1 0 414.527 3.369 50 0 in-man HGAARO COc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)[NH+]2CCCC2)cc1 ZINC000012754321 568942302 /nfs/dbraw/zinc/94/23/02/568942302.db2.gz UBOBNMYEBPJCJE-REWPJTCUSA-N 1 0 421.541 3.310 50 0 HGAARO O=C(Cn1cnc2ccccc2c1=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670460776 568951563 /nfs/dbraw/zinc/95/15/63/568951563.db2.gz QGDSSROYSWXEPF-QFIPXVFZSA-N 1 0 404.514 3.130 50 0 HGAARO C[NH+](C)Cc1ccc(CNC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000012779883 568956904 /nfs/dbraw/zinc/95/69/04/568956904.db2.gz GBMSJLBJXOQHMJ-UHFFFAOYSA-N 1 0 424.570 3.105 50 0 HGAARO O=C(CN1c2ccccc2Oc2ncccc2C1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000015679967 568966958 /nfs/dbraw/zinc/96/69/58/568966958.db2.gz CKEJXLKTUPVHBH-UHFFFAOYSA-N 1 0 420.513 3.311 50 0 HGAARO O[C@@H](COCCOc1ccc(Br)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000004305293 568977039 /nfs/dbraw/zinc/97/70/39/568977039.db2.gz NNJFKJJMJUZTET-LJQANCHMSA-N 1 0 406.320 3.264 50 0 HGAARO C[C@@H](CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)[NH+]1CCCCCC1 ZINC000015731065 568981502 /nfs/dbraw/zinc/98/15/02/568981502.db2.gz UGEASBQFUHZCHE-HNNXBMFYSA-N 1 0 411.593 3.054 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)COc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000012819064 568990693 /nfs/dbraw/zinc/99/06/93/568990693.db2.gz HVSMNPVMPATYNA-JOCHJYFZSA-N 1 0 409.530 3.392 50 0 HGAARO COC(=O)c1ccc(OC[C@H](O)C[NH2+]CC23CC4CC(CC(C4)C2)C3)c(OC)c1 ZINC000008324278 568990935 /nfs/dbraw/zinc/99/09/35/568990935.db2.gz IHUOZBZJRTZWBZ-YLSHDAJPSA-N 1 0 403.519 3.028 50 0 HGAARO 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3.471 50 0 HGAARO CC(C)C[NH+]1CCC(CN(C)C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1 ZINC000012612521 558438951 /nfs/dbraw/zinc/43/89/51/558438951.db2.gz DZUCFIGFMVHIGV-UHFFFAOYSA-N 1 0 403.958 3.420 50 0 HGAARO Cc1nc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000021795048 558449119 /nfs/dbraw/zinc/44/91/19/558449119.db2.gz LPCKSMNBZXGKAR-UHFFFAOYSA-N 1 0 400.914 3.393 50 0 HGAARO CC(C)(C)NC(=O)NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021822138 558451137 /nfs/dbraw/zinc/45/11/37/558451137.db2.gz OCXOVOKZNMPYRK-UHFFFAOYSA-N 1 0 408.546 3.018 50 0 HGAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NC(=O)NC1CCCC1 ZINC000021822143 558451200 /nfs/dbraw/zinc/45/12/00/558451200.db2.gz JPASJNQWXGWTMJ-UHFFFAOYSA-N 1 0 420.557 3.162 50 0 HGAARO O=C1NC2(CCCCC2)C(=O)N1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022775573 558509394 /nfs/dbraw/zinc/50/93/94/558509394.db2.gz XUNXKXQDJPXAMB-UHFFFAOYSA-N 1 0 406.530 3.170 50 0 HGAARO Cn1cc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000022851658 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YBFZLHSAEWNIAJ-HXUWFJFHSA-N 1 0 402.560 3.448 50 0 HGAARO COc1cc(Cl)c(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)cc1OC ZINC000023374005 558553936 /nfs/dbraw/zinc/55/39/36/558553936.db2.gz BIYDENYUONLJES-IBGZPJMESA-N 1 0 404.938 3.426 50 0 HGAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000013714151 558577729 /nfs/dbraw/zinc/57/77/29/558577729.db2.gz GOKQVHHBOIENNV-KGLIPLIRSA-N 1 0 417.506 3.421 50 0 HGAARO c1ccc(-n2nnnc2Oc2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)cc1 ZINC000013717658 558580222 /nfs/dbraw/zinc/58/02/22/558580222.db2.gz NRBKKZALIPTOCA-UHFFFAOYSA-N 1 0 401.426 3.473 50 0 HGAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014537807 558658678 /nfs/dbraw/zinc/65/86/78/558658678.db2.gz KOVFVTMAYXENPH-UHFFFAOYSA-N 1 0 401.551 3.020 50 0 HGAARO COCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000014732777 558665903 /nfs/dbraw/zinc/66/59/03/558665903.db2.gz KTDANDWUCBTFHB-UHFFFAOYSA-N 1 0 421.541 3.175 50 0 HGAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CC1CCCCC1)C2 ZINC000014732624 558665958 /nfs/dbraw/zinc/66/59/58/558665958.db2.gz XONSVNRBEACZIZ-IBGZPJMESA-N 1 0 402.583 3.039 50 0 HGAARO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000026913115 558666925 /nfs/dbraw/zinc/66/69/25/558666925.db2.gz XCHDRRUOCLWQAF-MRXNPFEDSA-N 1 0 408.502 3.262 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1Cl ZINC000027579842 558675507 /nfs/dbraw/zinc/67/55/07/558675507.db2.gz SZBNBAMHPRWBPA-LJQANCHMSA-N 1 0 413.905 3.379 50 0 HGAARO COc1cccc(-c2noc(-c3ccc(N4CC[NH+](C(C)C)CC4)nc3)n2)c1OC ZINC000014950189 558680827 /nfs/dbraw/zinc/68/08/27/558680827.db2.gz RPXLLYUMSVEECY-UHFFFAOYSA-N 1 0 409.490 3.346 50 0 HGAARO Cn1c(CNC(=O)c2cccc(-c3ccc(F)cc3)c2)nnc1SCC[NH+](C)C ZINC000014960722 558683832 /nfs/dbraw/zinc/68/38/32/558683832.db2.gz SMZOPVKFPXUYBA-UHFFFAOYSA-N 1 0 413.522 3.205 50 0 HGAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)Cn1cccn1 ZINC000014965612 558685601 /nfs/dbraw/zinc/68/56/01/558685601.db2.gz POHLASJYSOXEDC-SFHVURJKSA-N 1 0 408.468 3.315 50 0 HGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C)C1 ZINC000015001080 558697953 /nfs/dbraw/zinc/69/79/53/558697953.db2.gz QAJXHYYCMZHOSQ-MRXNPFEDSA-N 1 0 410.547 3.256 50 0 HGAARO Cc1cc(N(C)C)ccc1NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000072275395 558701800 /nfs/dbraw/zinc/70/18/00/558701800.db2.gz HNNCOSYIKOTCIJ-UHFFFAOYSA-N 1 0 417.598 3.009 50 0 HGAARO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015043590 558704324 /nfs/dbraw/zinc/70/43/24/558704324.db2.gz GYQZXBGSOZIYKD-GOSISDBHSA-N 1 0 409.530 3.480 50 0 HGAARO O=C(CC1=CSC2=NCCN12)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000015063220 558705803 /nfs/dbraw/zinc/70/58/03/558705803.db2.gz PITXUUHWSSCJPL-JOCHJYFZSA-N 1 0 414.550 3.290 50 0 HGAARO COc1ccc(OCc2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)no2)c2ccccc12 ZINC000015064169 558707070 /nfs/dbraw/zinc/70/70/70/558707070.db2.gz IYCMHVWVVFNTGX-MRXNPFEDSA-N 1 0 407.470 3.336 50 0 HGAARO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000015066317 558709117 /nfs/dbraw/zinc/70/91/17/558709117.db2.gz KZURAADQHPYANY-IBGZPJMESA-N 1 0 418.559 3.031 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccsc1 ZINC000029140760 558710752 /nfs/dbraw/zinc/71/07/52/558710752.db2.gz CLFHSNUCSFSSCG-MRXNPFEDSA-N 1 0 424.364 3.050 50 0 HGAARO C[NH+](C)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)C1 ZINC000015072271 558713453 /nfs/dbraw/zinc/71/34/53/558713453.db2.gz QHFHZIMGNATGMO-HNNXBMFYSA-N 1 0 408.531 3.044 50 0 HGAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)C1 ZINC000015072269 558713492 /nfs/dbraw/zinc/71/34/92/558713492.db2.gz QHFHZIMGNATGMO-OAHLLOKOSA-N 1 0 408.531 3.044 50 0 HGAARO COc1cccc([C@H](CNC(=O)c2cc3c(C)nn(C)c3nc2C)[NH+]2CCCC2)c1 ZINC000029749662 558719836 /nfs/dbraw/zinc/71/98/36/558719836.db2.gz FHBSDXIQHLMYNU-NRFANRHFSA-N 1 0 407.518 3.161 50 0 HGAARO Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)Cc3ccc(F)cc3)CC2)c1 ZINC000030361212 558729285 /nfs/dbraw/zinc/72/92/85/558729285.db2.gz GCRAIKANKIUHLI-UHFFFAOYSA-N 1 0 419.566 3.156 50 0 HGAARO Cc1cccc(N2CC[NH+](CC[C@@H](C)NS(=O)(=O)c3ccccc3F)CC2)c1 ZINC000030440053 558730348 /nfs/dbraw/zinc/73/03/48/558730348.db2.gz FSMMYNARNAOKNS-GOSISDBHSA-N 1 0 405.539 3.013 50 0 HGAARO c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000030666075 558735428 /nfs/dbraw/zinc/73/54/28/558735428.db2.gz BRLLBEUFWOPHSD-VQIMIIECSA-N 1 0 413.543 3.383 50 0 HGAARO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000072296023 558748950 /nfs/dbraw/zinc/74/89/50/558748950.db2.gz CSHCHLRAVWKDSV-GHTZIAJQSA-N 1 0 402.583 3.124 50 0 HGAARO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000072305206 558757850 /nfs/dbraw/zinc/75/78/50/558757850.db2.gz YVNSUGAXMHFDBV-MRXNPFEDSA-N 1 0 424.471 3.031 50 0 HGAARO C[C@@]1(COC(=O)CCNC(=O)OCC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000072310752 558777960 /nfs/dbraw/zinc/77/79/60/558777960.db2.gz MJCSJXZMMZAHSV-SFHVURJKSA-N 1 0 402.413 3.263 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2ccccc2OC)CC1 ZINC000036341404 558799083 /nfs/dbraw/zinc/79/90/83/558799083.db2.gz SDBFDONVVHTYQB-JOCHJYFZSA-N 1 0 424.520 3.150 50 0 HGAARO COc1ccc(CNC(=O)C[NH2+]CCOc2ccc(C(C)(C)C)cc2)cc1OC ZINC000016695414 558800984 /nfs/dbraw/zinc/80/09/84/558800984.db2.gz HTRNUXLXPRZVNN-UHFFFAOYSA-N 1 0 400.519 3.286 50 0 HGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(I)cc1 ZINC000032986435 558806554 /nfs/dbraw/zinc/80/65/54/558806554.db2.gz MFBBCGKWKPHSDO-KRWDZBQOSA-N 1 0 406.267 3.296 50 0 HGAARO COc1cccc(CN2CC[N@H+](Cc3ccc(-n4cccn4)cc3C)C[C@H]2CCO)c1 ZINC000039455522 558821457 /nfs/dbraw/zinc/82/14/57/558821457.db2.gz FCHUTMMZICIQPB-XMMPIXPASA-N 1 0 420.557 3.258 50 0 HGAARO COCCNC(=O)CCC1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000067975572 558862431 /nfs/dbraw/zinc/86/24/31/558862431.db2.gz ZUZYOXMNBAPGIM-UHFFFAOYSA-N 1 0 404.942 3.485 50 0 HGAARO COc1ccc2ccccc2c1C[NH2+]Cc1cccnc1N1CCN(C(C)=O)CC1 ZINC000019336856 558870091 /nfs/dbraw/zinc/87/00/91/558870091.db2.gz UPORRRDOLYLLKJ-UHFFFAOYSA-N 1 0 404.514 3.202 50 0 HGAARO CCn1nc(C)c(C[N@H+](CCOC)C[C@]2(c3cccc(OC)c3)CCOC2)c1C ZINC000055042367 558870622 /nfs/dbraw/zinc/87/06/22/558870622.db2.gz DPDAEHXUHXSERT-HSZRJFAPSA-N 1 0 401.551 3.335 50 0 HGAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3cccc4nonc43)CC2)c1 ZINC000055167213 558874822 /nfs/dbraw/zinc/87/48/22/558874822.db2.gz DKHTWVLURXLHBM-UHFFFAOYSA-N 1 0 422.485 3.167 50 0 HGAARO CCOC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055220595 558876435 /nfs/dbraw/zinc/87/64/35/558876435.db2.gz GNKWWMYSQVHRQX-BIENJYKASA-N 1 0 405.926 3.489 50 0 HGAARO Cc1cccc(OCCc2c(C)nc(N3CC[NH+](Cc4ccccc4)CC3)[nH]c2=O)c1 ZINC000071405898 558876457 /nfs/dbraw/zinc/87/64/57/558876457.db2.gz SYNGFKVMSRGNOG-UHFFFAOYSA-N 1 0 418.541 3.330 50 0 HGAARO Cc1sc2nc(CCC(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)[nH]c(=O)c2c1C ZINC000058023499 558896085 /nfs/dbraw/zinc/89/60/85/558896085.db2.gz KYZISGOJBPEHSY-GASCZTMLSA-N 1 0 418.607 3.408 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000058144085 558901696 /nfs/dbraw/zinc/90/16/96/558901696.db2.gz ZTFOQFMVYLFUOG-XQBPLPMBSA-N 1 0 423.557 3.422 50 0 HGAARO C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 ZINC000058172494 558908402 /nfs/dbraw/zinc/90/84/02/558908402.db2.gz OHLSVLPOLDUVFC-LBPRGKRZSA-N 1 0 423.391 3.476 50 0 HGAARO C[C@H](CNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000058415921 558925286 /nfs/dbraw/zinc/92/52/86/558925286.db2.gz JBJMMQAHGMGAEP-MOPGFXCFSA-N 1 0 410.537 3.398 50 0 HGAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)CC1 ZINC000059314163 558933858 /nfs/dbraw/zinc/93/38/58/558933858.db2.gz MUZAEIQRTCDZOQ-NRFANRHFSA-N 1 0 411.521 3.190 50 0 HGAARO CC[NH+](CC)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021810664 558953410 /nfs/dbraw/zinc/95/34/10/558953410.db2.gz OXAQVKRAEUEHBZ-QHCPKHFHSA-N 1 0 414.550 3.240 50 0 HGAARO C[N@H+](CCCNC(=O)c1nnc(C(=O)Nc2ccc(F)cc2)s1)C1CCCCC1 ZINC000033060273 558954681 /nfs/dbraw/zinc/95/46/81/558954681.db2.gz WWCSFELMXJHABV-UHFFFAOYSA-N 1 0 419.526 3.314 50 0 HGAARO O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)NCCC[NH+]1CCCCCC1 ZINC000033061679 558955203 /nfs/dbraw/zinc/95/52/03/558955203.db2.gz VRUKFMLZDHJCML-UHFFFAOYSA-N 1 0 415.563 3.105 50 0 HGAARO CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(NCC3CC[NH+](C)CC3)nc2)C1 ZINC000067434397 558986609 /nfs/dbraw/zinc/98/66/09/558986609.db2.gz NXFKDVXSTMQVIH-HXUWFJFHSA-N 1 0 400.567 3.303 50 0 HGAARO COc1ccc(C)cc1NC(=O)N1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000067602145 558987893 /nfs/dbraw/zinc/98/78/93/558987893.db2.gz OMZJDOARRIPUFX-UHFFFAOYSA-N 1 0 410.522 3.056 50 0 HGAARO CC(C)OC(=O)c1ccc(NC(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000023039750 558992997 /nfs/dbraw/zinc/99/29/97/558992997.db2.gz VZKCELDZIPOQRK-UHFFFAOYSA-N 1 0 409.530 3.398 50 0 HGAARO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000097162372 558998184 /nfs/dbraw/zinc/99/81/84/558998184.db2.gz LPPXRIXULZMQGG-IEBWSBKVSA-N 1 0 400.523 3.376 50 0 HGAARO Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082097598 559037716 /nfs/dbraw/zinc/03/77/16/559037716.db2.gz PKCJMEKDAAZVHW-QHCPKHFHSA-N 1 0 406.574 3.383 50 0 HGAARO CN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)C(C1CC1)C1CC1 ZINC000082106169 559038083 /nfs/dbraw/zinc/03/80/83/559038083.db2.gz OCLXAYVGJPOPBE-JOCHJYFZSA-N 1 0 410.606 3.405 50 0 HGAARO CC(C)SCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082107906 559038405 /nfs/dbraw/zinc/03/84/05/559038405.db2.gz FXBLNFVEWFWRIS-FQEVSTJZSA-N 1 0 404.624 3.016 50 0 HGAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3F)CC2)C1 ZINC000082121524 559039555 /nfs/dbraw/zinc/03/95/55/559039555.db2.gz BBUGBQSVGGNUFV-HXUWFJFHSA-N 1 0 410.537 3.214 50 0 HGAARO COC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)c(NC(=O)c2ccc(OC)cc2)c1 ZINC000033278768 559042313 /nfs/dbraw/zinc/04/23/13/559042313.db2.gz XHSRLUOTAFIWDM-UHFFFAOYSA-N 1 0 411.502 3.265 50 0 HGAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cnc(CC3CCCC3)[nH]1)CC2 ZINC000091586713 559072323 /nfs/dbraw/zinc/07/23/23/559072323.db2.gz RBPXOKLBLIWQEU-UHFFFAOYSA-N 1 0 402.583 3.384 50 0 HGAARO OCCC[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2F)CC[C@@H]1[NH+]1CCOCC1 ZINC000095385461 559080757 /nfs/dbraw/zinc/08/07/57/559080757.db2.gz GDSGRKGCIXTOLS-BEFAXECRSA-N 1 0 404.448 3.140 50 0 HGAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccnc3ccccc13)CC2 ZINC000095509465 559083679 /nfs/dbraw/zinc/08/36/79/559083679.db2.gz BREHDPSDOHEALK-UHFFFAOYSA-N 1 0 401.514 3.244 50 0 HGAARO Cn1nccc1CCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095527119 559086102 /nfs/dbraw/zinc/08/61/02/559086102.db2.gz SIXGUUPCXIHVLY-JOCHJYFZSA-N 1 0 402.583 3.015 50 0 HGAARO Cc1nccn1Cc1nnc(C2CC[NH+](CCc3c[nH]c4ccccc34)CC2)n1C ZINC000096135880 559095625 /nfs/dbraw/zinc/09/56/25/559095625.db2.gz LKDIQMHLVVHBPP-UHFFFAOYSA-N 1 0 403.534 3.272 50 0 HGAARO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c2cc(OC)c(OC)cc2[nH]c1C(=O)OC ZINC000004837579 559166617 /nfs/dbraw/zinc/16/66/17/559166617.db2.gz PJHAJYOWYUVRSL-ZDUSSCGKSA-N 1 0 403.479 3.175 50 0 HGAARO Cc1cc(O)c([C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccccc1 ZINC000023477073 559176252 /nfs/dbraw/zinc/17/62/52/559176252.db2.gz RXMSEQUMDHUHMQ-XMMPIXPASA-N 1 0 421.516 3.387 50 0 HGAARO CN(Cc1cccc(O)c1)C(=O)N[C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000050135140 559179325 /nfs/dbraw/zinc/17/93/25/559179325.db2.gz KYQZYZJAIAKRQN-HSZRJFAPSA-N 1 0 410.562 3.301 50 0 HGAARO Cc1ccc2oc(=O)c3cnn(CC(=O)NCCC[N@H+]4[C@H](C)CCC[C@@H]4C)c3c2c1 ZINC000004961872 559217890 /nfs/dbraw/zinc/21/78/90/559217890.db2.gz NPMVAMSPXLHZEC-CALCHBBNSA-N 1 0 410.518 3.220 50 0 HGAARO COc1cccc(C[NH2+]CCSc2nnnn2C)c1OCc1ccc(Cl)cc1 ZINC000004998049 559225693 /nfs/dbraw/zinc/22/56/93/559225693.db2.gz QSZIUVXVQWVXOB-UHFFFAOYSA-N 1 0 419.938 3.333 50 0 HGAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NCC(OC)OC)C3)c(C)o2)cc1 ZINC000005055987 559237697 /nfs/dbraw/zinc/23/76/97/559237697.db2.gz PYOZYTFYSXGOHJ-IBGZPJMESA-N 1 0 415.534 3.160 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000247954893 559256566 /nfs/dbraw/zinc/25/65/66/559256566.db2.gz NSFVCQRQGUFABE-KSZLIROESA-N 1 0 407.580 3.084 50 0 HGAARO Cc1oc2c(c1C(=O)NCC1CC[NH+](Cc3cccc(F)c3)CC1)C1=NCCN1C=N2 ZINC000100696164 559257238 /nfs/dbraw/zinc/25/72/38/559257238.db2.gz GZVPUMGXBQEBHV-UHFFFAOYSA-N 1 0 423.492 3.105 50 0 HGAARO CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c12 ZINC000079188814 560541586 /nfs/dbraw/zinc/54/15/86/560541586.db2.gz ZGEOFWSOSHNWQY-RBUKOAKNSA-N 1 0 412.530 3.423 50 0 biogenic HGAARO Cn1c(CN2CCSCC2)cc(=O)c(O)c1C[NH+]1CCC(c2ccccc2)CC1 ZINC000079477623 560541740 /nfs/dbraw/zinc/54/17/40/560541740.db2.gz XACVQWWHWUXUOI-UHFFFAOYSA-N 1 0 413.587 3.019 50 0 HGAARO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005269059 560559866 /nfs/dbraw/zinc/55/98/66/560559866.db2.gz QJPDIUPMSYVJNB-UHFFFAOYSA-N 1 0 406.482 3.130 50 0 HGAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(F)cc2)N(CCC[NH+](C)C)C1=O ZINC000005351838 560569089 /nfs/dbraw/zinc/56/90/89/560569089.db2.gz MTJMJLUGOBMOOU-FQEVSTJZSA-N 1 0 410.445 3.438 50 0 HGAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccc(F)c2)N(CCC[NH+](C)C)C1=O ZINC000005345825 560570129 /nfs/dbraw/zinc/57/01/29/560570129.db2.gz SDBNLPOFUPYXJU-FQEVSTJZSA-N 1 0 410.445 3.438 50 0 HGAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)C1 ZINC000005509806 560600868 /nfs/dbraw/zinc/60/08/68/560600868.db2.gz FYZKAUFDLDIJRM-CQSZACIVSA-N 1 0 418.423 3.024 50 0 HGAARO C[N@@H+]1CCN(CCNC(=O)c2cc(C3CC3)nn2C(C)(C)C)[C@H](c2ccccc2)C1 ZINC000106086666 560884629 /nfs/dbraw/zinc/88/46/29/560884629.db2.gz TWMKFUHKFHXIIA-QFIPXVFZSA-N 1 0 409.578 3.234 50 0 HGAARO COC(=O)CC[C@H](C)[NH+]1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000012049786 560887667 /nfs/dbraw/zinc/88/76/67/560887667.db2.gz WFCXSQVIBRUZLK-SFHVURJKSA-N 1 0 402.535 3.498 50 0 HGAARO COc1ccc(OCCC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000047539412 560891962 /nfs/dbraw/zinc/89/19/62/560891962.db2.gz RQYZXGHTRKOAIL-RTBURBONSA-N 1 0 412.530 3.390 50 0 HGAARO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000107514324 560896449 /nfs/dbraw/zinc/89/64/49/560896449.db2.gz KXPVXTLLUPVLAV-ZFWWWQNUSA-N 1 0 403.445 3.413 50 0 HGAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000107510143 560896457 /nfs/dbraw/zinc/89/64/57/560896457.db2.gz XBHQIULKOZHLCJ-WMZHIEFXSA-N 1 0 421.541 3.219 50 0 HGAARO CN1c2ccc(S(=O)(=O)NCC[NH+]3CCCCCC3)cc2C(=C2CCCC2)C1=O ZINC000045895237 568421319 /nfs/dbraw/zinc/42/13/19/568421319.db2.gz BPIRFEBKGHOFCB-UHFFFAOYSA-N 1 0 417.575 3.145 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccsc1 ZINC000048249067 568433295 /nfs/dbraw/zinc/43/32/95/568433295.db2.gz QQTZSUVRGRUIJQ-XLIONFOSSA-N 1 0 417.550 3.087 50 0 HGAARO Cc1ccc(F)cc1NC(=O)Cn1c(C)nc2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000049400858 568447604 /nfs/dbraw/zinc/44/76/04/568447604.db2.gz GGYWFZRRZSGGTO-UHFFFAOYSA-N 1 0 420.488 3.196 50 0 HGAARO O=C1C[C@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000049772133 568453333 /nfs/dbraw/zinc/45/33/33/568453333.db2.gz YACGSFQFKLDZPH-NMIHRBCNSA-N 1 0 420.900 3.302 50 0 HGAARO Cn1cc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)[NH+](C)C)c2ccccc21 ZINC000021698436 568466946 /nfs/dbraw/zinc/46/69/46/568466946.db2.gz OGXVERFNZHGDLM-LJQANCHMSA-N 1 0 416.884 3.328 50 0 HGAARO CCOC(=O)c1cnn(-c2ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc2)c1C ZINC000024823714 568467438 /nfs/dbraw/zinc/46/74/38/568467438.db2.gz PJMUQRGLYAGZND-UHFFFAOYSA-N 1 0 400.523 3.206 50 0 HGAARO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000024949594 568498506 /nfs/dbraw/zinc/49/85/06/568498506.db2.gz OGJKGEFKDKABRU-INIZCTEOSA-N 1 0 421.522 3.133 50 0 HGAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000095373517 568602978 /nfs/dbraw/zinc/60/29/78/568602978.db2.gz HKPHTTBPOFZVSX-VKDGWMQASA-N 1 0 413.606 3.316 50 0 HGAARO CCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cn1 ZINC000095423094 568607501 /nfs/dbraw/zinc/60/75/01/568607501.db2.gz FPNLXRHTAMVMIL-QGZVFWFLSA-N 1 0 416.497 3.171 50 0 HGAARO CCC[NH+]1CCN(C(=O)[C@H](CC)n2nc(C)c3sc4ccccc4c3c2=O)CC1 ZINC000020467020 568610316 /nfs/dbraw/zinc/61/03/16/568610316.db2.gz DDNCSWZFYNEXKA-KRWDZBQOSA-N 1 0 412.559 3.425 50 0 HGAARO CC(C)c1ccc(-c2noc(CCC(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)n2)cc1 ZINC000095447915 568612519 /nfs/dbraw/zinc/61/25/19/568612519.db2.gz IQUFVPOPSDAEKJ-HXUWFJFHSA-N 1 0 414.550 3.146 50 0 HGAARO Cc1nc2cc(C)ccn2c1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095457014 568618111 /nfs/dbraw/zinc/61/81/11/568618111.db2.gz RLBCKEDDZGXSGE-QHCPKHFHSA-N 1 0 403.574 3.343 50 0 HGAARO CCOC(=O)c1cccc(NC(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@]23c2ccccc2NC3=O)c1 ZINC000020513037 568622188 /nfs/dbraw/zinc/62/21/88/568622188.db2.gz JMHIBMZZRYCVFC-ROMRWMGNSA-N 1 0 419.481 3.134 50 0 biogenic HGAARO O=C(Nc1ccc(Br)cc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000020532059 568627850 /nfs/dbraw/zinc/62/78/50/568627850.db2.gz XLQQCDGQPQOYRR-UHFFFAOYSA-N 1 0 400.292 3.164 50 0 HGAARO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CCO[C@H](c2ccccc2)C1 ZINC000095480128 568633045 /nfs/dbraw/zinc/63/30/45/568633045.db2.gz ZXTUUBLLUHUDIF-QHCPKHFHSA-N 1 0 411.546 3.040 50 0 HGAARO CCOc1cc(Br)c(CC(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)cc1OCC ZINC000225578848 568653488 /nfs/dbraw/zinc/65/34/88/568653488.db2.gz VPSPDXFTKZCSRS-HOTGVXAUSA-N 1 0 413.356 3.388 50 0 HGAARO CC(C)c1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000020953441 568653739 /nfs/dbraw/zinc/65/37/39/568653739.db2.gz WVSHHDUMQMBONV-HXUWFJFHSA-N 1 0 407.605 3.139 50 0 HGAARO C[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)C1 ZINC000021148196 568671992 /nfs/dbraw/zinc/67/19/92/568671992.db2.gz TUQGSJCJHVPFTB-CVDCTZTESA-N 1 0 405.542 3.496 50 0 HGAARO CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000096310489 568674509 /nfs/dbraw/zinc/67/45/09/568674509.db2.gz UOXSYTQLMOSMHS-HXUWFJFHSA-N 1 0 421.589 3.209 50 0 HGAARO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000225828951 568678498 /nfs/dbraw/zinc/67/84/98/568678498.db2.gz HATUMPLKYZYMFC-INIZCTEOSA-N 1 0 420.978 3.361 50 0 HGAARO CC(=O)Nc1cccc2c1ccn2CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096116662 568695991 /nfs/dbraw/zinc/69/59/91/568695991.db2.gz UFTKULYXNGKJPG-UHFFFAOYSA-N 1 0 404.514 3.381 50 0 HGAARO C[C@H]1CCC[N@H+](CCCNC(=O)CN2c3ccccc3Sc3ncccc3C2=O)C1 ZINC000021540215 568713479 /nfs/dbraw/zinc/71/34/79/568713479.db2.gz DPFBTXPPSRNGEC-KRWDZBQOSA-N 1 0 424.570 3.431 50 0 HGAARO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000229990642 568716689 /nfs/dbraw/zinc/71/66/89/568716689.db2.gz ZQZFAMGYCSJFQO-YLJYHZDGSA-N 1 0 405.564 3.064 50 0 HGAARO COc1ccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccncc4)CC3)nc2)cc1 ZINC000096281048 568718408 /nfs/dbraw/zinc/71/84/08/568718408.db2.gz BHFIBEIMVHABSH-UHFFFAOYSA-N 1 0 417.513 3.450 50 0 HGAARO CC(C)[NH+](CCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)C(C)C ZINC000022623209 568772051 /nfs/dbraw/zinc/77/20/51/568772051.db2.gz NVFDJSSVIUTBPR-UHFFFAOYSA-N 1 0 418.588 3.422 50 0 HGAARO CN1CC[NH+](CCc2ccc(NC(=O)c3cccnc3N3CCCCC3)cc2)CC1 ZINC000056041569 568785151 /nfs/dbraw/zinc/78/51/51/568785151.db2.gz NYWRNEINSVKNON-UHFFFAOYSA-N 1 0 407.562 3.114 50 0 HGAARO CCC[NH+](CCC)CCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000002944005 568819753 /nfs/dbraw/zinc/81/97/53/568819753.db2.gz SMMIFOUHYPYUEK-UHFFFAOYSA-N 1 0 422.529 3.246 50 0 HGAARO CC[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000057200907 568824991 /nfs/dbraw/zinc/82/49/91/568824991.db2.gz IWVDXHPSKNZAGG-HNNXBMFYSA-N 1 0 409.372 3.059 50 0 HGAARO COc1c(Br)cc(Br)cc1C[NH2+]CCNC(=O)C(C)C ZINC000034992620 568835367 /nfs/dbraw/zinc/83/53/67/568835367.db2.gz DYVUDVFKBSWNDS-UHFFFAOYSA-N 1 0 408.134 3.082 50 0 HGAARO CSc1cccc(N2C[C@H](C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CC2=O)c1 ZINC000029836465 568836954 /nfs/dbraw/zinc/83/69/54/568836954.db2.gz BKBHCWNJKVMAOS-UZLBHIALSA-N 1 0 415.534 3.320 50 0 HGAARO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OCc1c(C)noc1C ZINC000012525586 568842897 /nfs/dbraw/zinc/84/28/97/568842897.db2.gz BEFFKADYEVKAFE-HXUWFJFHSA-N 1 0 418.457 3.325 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000230171784 568853762 /nfs/dbraw/zinc/85/37/62/568853762.db2.gz ZTFOQFMVYLFUOG-KNKQGSTJSA-N 1 0 423.557 3.422 50 0 HGAARO C[C@@H](CNC(=O)COc1ccc(Br)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025633977 568869362 /nfs/dbraw/zinc/86/93/62/568869362.db2.gz IKVVALSSGXZNDX-HNNXBMFYSA-N 1 0 403.320 3.391 50 0 HGAARO O=C(NCc1ccccc1F)c1ccc(N2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC000299758063 568872896 /nfs/dbraw/zinc/87/28/96/568872896.db2.gz AFJONPAGMBZDRN-UHFFFAOYSA-N 1 0 411.521 3.493 50 0 HGAARO COCCn1ccc2c1cccc2OCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000263587820 568883354 /nfs/dbraw/zinc/88/33/54/568883354.db2.gz LOVYMSHQLJESMV-UHFFFAOYSA-N 1 0 422.529 3.057 50 0 HGAARO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O)[NH+]1CCCC1 ZINC000078413805 568884451 /nfs/dbraw/zinc/88/44/51/568884451.db2.gz WHLDQVWCFXPMSJ-KSFYIVLOSA-N 1 0 421.607 3.163 50 0 HGAARO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@@H](O)[C@@H]21 ZINC000004028674 568934165 /nfs/dbraw/zinc/93/41/65/568934165.db2.gz SYTZVGPWDLPTPO-WMINDAEQSA-N 1 0 413.558 3.325 50 0 biogenic HGAARO Cc1ccc(CCN2C[C@@H](C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2=O)cc1 ZINC000004101924 568942954 /nfs/dbraw/zinc/94/29/54/568942954.db2.gz OWTGVWTZHGSJEY-QHCPKHFHSA-N 1 0 407.558 3.024 50 0 HGAARO Cc1ccc(CN(C)C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c(C)c1 ZINC000012770307 568951297 /nfs/dbraw/zinc/95/12/97/568951297.db2.gz GJEQXZYAPSZYAN-UHFFFAOYSA-N 1 0 409.530 3.318 50 0 HGAARO CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000012774832 568953719 /nfs/dbraw/zinc/95/37/19/568953719.db2.gz BIUWKRHMLWCXJZ-KRWDZBQOSA-N 1 0 409.530 3.483 50 0 HGAARO C[C@@H](c1nc(-c2nc[nH]n2)no1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000084667729 568955042 /nfs/dbraw/zinc/95/50/42/568955042.db2.gz INIHMUJMUHDMQV-KRWDZBQOSA-N 1 0 415.501 3.323 50 0 HGAARO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012781300 568957923 /nfs/dbraw/zinc/95/79/23/568957923.db2.gz RBJGECPNYVGIHS-MRXNPFEDSA-N 1 0 413.493 3.401 50 0 HGAARO COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1OC ZINC000004275258 568962181 /nfs/dbraw/zinc/96/21/81/568962181.db2.gz SEEYDHVDLARMPD-UHFFFAOYSA-N 1 0 417.531 3.276 50 0 HGAARO CCc1cc2c(cc1S(=O)(=O)NCC[NH+]1CCCCCC1)[nH]c1c2C(=O)CCC1 ZINC000015733864 568983364 /nfs/dbraw/zinc/98/33/64/568983364.db2.gz MPKZFQAMZIZYSS-UHFFFAOYSA-N 1 0 417.575 3.404 50 0 HGAARO O=C(NCC[NH+]1CCCCCC1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734877 568984052 /nfs/dbraw/zinc/98/40/52/568984052.db2.gz BUJIZQJEXFRZOB-UHFFFAOYSA-N 1 0 413.591 3.414 50 0 HGAARO COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000008373812 568995766 /nfs/dbraw/zinc/99/57/66/568995766.db2.gz JYEDRFSXAQGXPL-FQEVSTJZSA-N 1 0 408.454 3.004 50 0 HGAARO Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000008396284 568999505 /nfs/dbraw/zinc/99/95/05/568999505.db2.gz JVGTXDGBNVBUIS-VTPLCQIWSA-O 1 0 420.439 3.289 50 0 HGAARO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000008424951 569002031 /nfs/dbraw/zinc/00/20/31/569002031.db2.gz VJUALCDTAIBMKL-IAGOWNOFSA-N 1 0 404.580 3.319 50 0 HGAARO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CCC(=O)N[C@H](c1cccnc1)C(F)(F)F)C2 ZINC000104325271 569008324 /nfs/dbraw/zinc/00/83/24/569008324.db2.gz SWSFBZLAUUIQPF-VBKZILBWSA-N 1 0 423.435 3.483 50 0 HGAARO COc1ccc(C[N@H+]2CCN(Cc3ccc(O)c(OC)c3)C[C@H]2CCO)c(C)c1C ZINC000104459216 569008600 /nfs/dbraw/zinc/00/86/00/569008600.db2.gz WFUMOZODOKFXSB-OAQYLSRUSA-N 1 0 414.546 3.095 50 0 HGAARO CCOc1ccc(Br)cc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000012872862 569013436 /nfs/dbraw/zinc/01/34/36/569013436.db2.gz IIVJRHYEHTYYSV-UHFFFAOYSA-N 1 0 419.385 3.248 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000053303619 569016539 /nfs/dbraw/zinc/01/65/39/569016539.db2.gz OBAXFBAGZNPTAE-RTBURBONSA-N 1 0 412.578 3.276 50 0 HGAARO Cc1cccc2c(=O)n(CCCC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cnc12 ZINC000012908839 569021666 /nfs/dbraw/zinc/02/16/66/569021666.db2.gz YBONNRKAANTRCS-JOCHJYFZSA-N 1 0 418.541 3.438 50 0 HGAARO COc1cccc([C@@H](CNC(=O)N2CCc3cc(OC)c(OC)cc3C2)[NH+](C)C)c1 ZINC000053539902 569031377 /nfs/dbraw/zinc/03/13/77/569031377.db2.gz UTGDQGPVGQATPM-HXUWFJFHSA-N 1 0 413.518 3.083 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000035397962 569034952 /nfs/dbraw/zinc/03/49/52/569034952.db2.gz RVSLLEQIYSTXSK-TZIWHRDSSA-N 1 0 407.562 3.351 50 0 HGAARO Cc1ccc(-c2ccc(N3CCC(C(=O)NCC[NH+]4CCCCC4)CC3)nn2)cc1 ZINC000035398482 569035160 /nfs/dbraw/zinc/03/51/60/569035160.db2.gz ZITMFFWYIXHWDV-UHFFFAOYSA-N 1 0 407.562 3.271 50 0 HGAARO CC(C)c1ccc(-c2noc(N3CCC(C(=O)NCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000035447416 569037350 /nfs/dbraw/zinc/03/73/50/569037350.db2.gz GRRMRDJHJBKAPX-UHFFFAOYSA-N 1 0 411.550 3.288 50 0 HGAARO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000239274617 569054076 /nfs/dbraw/zinc/05/40/76/569054076.db2.gz ALOYOTUGGBJXNF-HNNXBMFYSA-N 1 0 421.364 3.291 50 0 HGAARO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000242001096 569054994 /nfs/dbraw/zinc/05/49/94/569054994.db2.gz VCYKWBJRYYCPME-KFKAGJAMSA-N 1 0 407.352 3.345 50 0 HGAARO Cc1ccc(C(=O)C2=C3C(O)N(c4cc(C)cc(C)c4)C(=O)[C@H]3[C@@H]3CCCN23)cc1 ZINC000245326068 569055877 /nfs/dbraw/zinc/05/58/77/569055877.db2.gz IWNOZIKSIZMADR-KJJMTIBFSA-N 1 0 402.494 3.447 50 0 HGAARO COCCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COc1ccccc1C ZINC000036097188 569090284 /nfs/dbraw/zinc/09/02/84/569090284.db2.gz CYWOPNCPYMMIBG-FQEVSTJZSA-N 1 0 403.519 3.291 50 0 HGAARO Cc1cccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036098622 569090871 /nfs/dbraw/zinc/09/08/71/569090871.db2.gz KIUGAXJROOUJAP-QFIPXVFZSA-N 1 0 418.965 3.223 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2OC)CC1 ZINC000036341360 569141972 /nfs/dbraw/zinc/14/19/72/569141972.db2.gz JQGRMXDLSGPJRL-JOCHJYFZSA-N 1 0 424.520 3.150 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccccc2C)CC1 ZINC000036345703 569143330 /nfs/dbraw/zinc/14/33/30/569143330.db2.gz VVTJFMPDVHTMLS-QHCPKHFHSA-N 1 0 408.521 3.449 50 0 HGAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000065023446 569154921 /nfs/dbraw/zinc/15/49/21/569154921.db2.gz XZUDIXQGNLUEEA-LJQANCHMSA-N 1 0 413.541 3.347 50 0 HGAARO COc1ccc([C@@H](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)NC(C)=O)cc1 ZINC000036392205 569167532 /nfs/dbraw/zinc/16/75/32/569167532.db2.gz URNRWIOFXOELHI-XMMPIXPASA-N 1 0 423.557 3.352 50 0 HGAARO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(NS(=O)(=O)c4ccccc4)CC3)cc2)n1 ZINC000036395471 569168743 /nfs/dbraw/zinc/16/87/43/569168743.db2.gz DFOWRDKQMVOTJD-UHFFFAOYSA-N 1 0 424.570 3.432 50 0 HGAARO COC(=O)c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000036396043 569168977 /nfs/dbraw/zinc/16/89/77/569168977.db2.gz SDWXLMXSQJLQCX-UHFFFAOYSA-N 1 0 416.543 3.184 50 0 HGAARO Cn1c(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nnc1-c1ccc(F)cc1 ZINC000006913796 569179784 /nfs/dbraw/zinc/17/97/84/569179784.db2.gz FTEKEPWAIVCDQM-GOSISDBHSA-N 1 0 413.522 3.132 50 0 HGAARO CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153532 569187515 /nfs/dbraw/zinc/18/75/15/569187515.db2.gz UVIJUDAHVQFGJI-UHFFFAOYSA-N 1 0 420.488 3.142 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1c2ccccc2CC(=O)N1Cc1ccccc1 ZINC000065170204 569189184 /nfs/dbraw/zinc/18/91/84/569189184.db2.gz NWEOJHAURXAIDM-XMMPIXPASA-N 1 0 405.542 3.305 50 0 HGAARO O=C(c1cc2c(s1)CC[C@H](C(=O)N1CC[NH+](C3CCCC3)CC1)C2)N1CCCC1 ZINC000065272952 569215932 /nfs/dbraw/zinc/21/59/32/569215932.db2.gz YXBJQQZOILXTIC-KRWDZBQOSA-N 1 0 415.603 3.176 50 0 HGAARO CC[NH+]1CCC(CCNC(=O)[C@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000065272957 569215951 /nfs/dbraw/zinc/21/59/51/569215951.db2.gz DETDDTFHRFZIKX-SFHVURJKSA-N 1 0 417.619 3.327 50 0 HGAARO CCOc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(Br)c1OC ZINC000007126201 569223451 /nfs/dbraw/zinc/22/34/51/569223451.db2.gz ACDPTBYAQMKWDV-MRXNPFEDSA-N 1 0 416.279 3.302 50 0 HGAARO CCOc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(Br)c1OC ZINC000007126210 569223497 /nfs/dbraw/zinc/22/34/97/569223497.db2.gz ACDPTBYAQMKWDV-INIZCTEOSA-N 1 0 416.279 3.302 50 0 HGAARO COc1cc(Br)c2nc(N3CC[NH+](C4CCCC4)CC3)nc(N)c2c1 ZINC000170613103 569246648 /nfs/dbraw/zinc/24/66/48/569246648.db2.gz PRKCKFOFYPWRDP-UHFFFAOYSA-N 1 0 406.328 3.048 50 0 HGAARO O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613425 569246928 /nfs/dbraw/zinc/24/69/28/569246928.db2.gz FSFQLCYXLPWMPS-IERDGZPVSA-N 1 0 410.514 3.041 50 0 HGAARO CS[C@H]1CN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C[C@H]1[NH+](C)C ZINC000089637019 569261459 /nfs/dbraw/zinc/26/14/59/569261459.db2.gz JBAUFOGDFHFJDL-MSOLQXFVSA-N 1 0 405.589 3.077 50 0 HGAARO COc1cc(C(C)=O)ccc1OCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000170653305 569295395 /nfs/dbraw/zinc/29/53/95/569295395.db2.gz WJPHAQKMPWMYMB-UTKZUKDTSA-N 1 0 410.514 3.303 50 0 HGAARO Cc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NCCC[NH+](C)C)CC2)cc1 ZINC000037524624 569303859 /nfs/dbraw/zinc/30/38/59/569303859.db2.gz BOTCYDDBICYDNM-UHFFFAOYSA-N 1 0 422.573 3.075 50 0 HGAARO COc1cccc([C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c2nccn2C)c1 ZINC000195529346 569311981 /nfs/dbraw/zinc/31/19/81/569311981.db2.gz KUVNYZCDZPGCQN-WIYYLYMNSA-N 1 0 413.566 3.329 50 0 HGAARO Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253400104 569365530 /nfs/dbraw/zinc/36/55/30/569365530.db2.gz DPYOLBLOOPDDOS-LAUBAEHRSA-N 1 0 412.530 3.463 50 0 biogenic HGAARO CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000027676186 569389726 /nfs/dbraw/zinc/38/97/26/569389726.db2.gz ZCDKMYSGXMHQPD-QAPCUYQASA-N 1 0 409.502 3.200 50 0 HGAARO Cn1ccc2c1cccc2C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000078825167 569420824 /nfs/dbraw/zinc/42/08/24/569420824.db2.gz WEYFMSALMXELEH-UHFFFAOYSA-N 1 0 406.530 3.081 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000079495096 569432762 /nfs/dbraw/zinc/43/27/62/569432762.db2.gz RURJAEFHQNPQHP-SFHVURJKSA-N 1 0 413.953 3.127 50 0 HGAARO Cc1cc(=O)c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)nn1-c1ccccc1 ZINC000008735983 571110039 /nfs/dbraw/zinc/11/00/39/571110039.db2.gz PIPQSVDXPVBWSE-UHFFFAOYSA-N 1 0 408.546 3.460 50 0 HGAARO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)c2ccccc2n1 ZINC000008864301 571128979 /nfs/dbraw/zinc/12/89/79/571128979.db2.gz HNMVKEDGZXMBLS-HXUWFJFHSA-N 1 0 408.527 3.497 50 0 HGAARO CCOC(=O)c1c(NC(=O)CN2CCC[N@H+](C)CC2)sc(C)c1-c1ccccc1 ZINC000039944607 571135135 /nfs/dbraw/zinc/13/51/35/571135135.db2.gz ROPSPHLSJTWPEA-UHFFFAOYSA-N 1 0 415.559 3.476 50 0 HGAARO C[NH+](C)Cc1ccc(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000040086569 571157041 /nfs/dbraw/zinc/15/70/41/571157041.db2.gz UDLHEVJRTKBFBK-UHFFFAOYSA-N 1 0 407.470 3.289 50 0 HGAARO CC(C)[C@@H](CNC(=O)c1cc(Br)ccc1Cl)[NH+]1CCN(C)CC1 ZINC000040092500 571161573 /nfs/dbraw/zinc/16/15/73/571161573.db2.gz ZOYHVESNGDHZNA-MRXNPFEDSA-N 1 0 402.764 3.104 50 0 HGAARO Cc1cc(=O)c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nn1-c1ccccc1F ZINC000040108509 571168069 /nfs/dbraw/zinc/16/80/69/571168069.db2.gz VHLLERWNNFLWKQ-IAGOWNOFSA-N 1 0 414.525 3.168 50 0 HGAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1 ZINC000040112681 571170711 /nfs/dbraw/zinc/17/07/11/571170711.db2.gz DPVQUCIAAAIFJO-GOSISDBHSA-N 1 0 421.607 3.149 50 0 HGAARO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)o1 ZINC000040121950 571178022 /nfs/dbraw/zinc/17/80/22/571178022.db2.gz GENUNYQBVABLEN-UHFFFAOYSA-N 1 0 421.339 3.241 50 0 HGAARO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2noc(-c3cccc(C)c3)n2)CC1 ZINC000040127621 571179342 /nfs/dbraw/zinc/17/93/42/571179342.db2.gz DSQOZSSJSIUCDS-UHFFFAOYSA-N 1 0 413.566 3.105 50 0 HGAARO CN1CC(=O)Nc2cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)ccc21 ZINC000040155389 571202754 /nfs/dbraw/zinc/20/27/54/571202754.db2.gz WPWNGQJAVFFRCY-HXUWFJFHSA-N 1 0 412.921 3.295 50 0 HGAARO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CCSCC3)CC2)cc1Cl ZINC000244933180 571210363 /nfs/dbraw/zinc/21/03/63/571210363.db2.gz CFKRTQZTGFZCEJ-UHFFFAOYSA-N 1 0 409.983 3.311 50 0 HGAARO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268751 571244210 /nfs/dbraw/zinc/24/42/10/571244210.db2.gz AQEWAYPJKDJUCG-UHFFFAOYSA-N 1 0 411.471 3.432 50 0 HGAARO O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000070038156 571254737 /nfs/dbraw/zinc/25/47/37/571254737.db2.gz ZSJLHQBCNZFGAY-OAQYLSRUSA-N 1 0 422.525 3.244 50 0 HGAARO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc2ccccc21 ZINC000010335613 571300740 /nfs/dbraw/zinc/30/07/40/571300740.db2.gz VUEHWZKRSUZDKD-HXUWFJFHSA-N 1 0 412.511 3.192 50 0 HGAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000077200794 571313154 /nfs/dbraw/zinc/31/31/54/571313154.db2.gz WYRZNNFAWRKFDT-UHFFFAOYSA-N 1 0 421.520 3.168 50 0 HGAARO CN1c2ccccc2[C@]2(C1=O)[C@@H](C(=O)NCCc1ccc(Cl)cc1)C[C@H]1CCC[N@@H+]12 ZINC000057992439 571315405 /nfs/dbraw/zinc/31/54/05/571315405.db2.gz RKTXFVOUVYSRLL-DRMXPCRNSA-N 1 0 423.944 3.355 50 0 HGAARO CC[NH+]1CCN(c2nc(-c3ccccc3)ncc2C(=O)N(C)Cc2ccco2)CC1 ZINC000034922079 571316731 /nfs/dbraw/zinc/31/67/31/571316731.db2.gz LFCWHDYDZOAULZ-UHFFFAOYSA-N 1 0 405.502 3.151 50 0 HGAARO O=C1[C@@H]2CCCN2C(=O)N1CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002183630 132249122 /nfs/dbraw/zinc/24/91/22/132249122.db2.gz VOKYQDLXICROPY-SFHVURJKSA-N 1 0 424.467 3.034 50 0 HGAARO CCCC[N@H+](CCCNC(=O)CN1C(=O)COc2ccccc21)Cc1ccccc1 ZINC000002953727 132260363 /nfs/dbraw/zinc/26/03/63/132260363.db2.gz KIMHQMAUFPDLKS-UHFFFAOYSA-N 1 0 409.530 3.221 50 0 HGAARO CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000004749092 132287444 /nfs/dbraw/zinc/28/74/44/132287444.db2.gz HWMHVRWKKCZBTG-UHFFFAOYSA-N 1 0 411.502 3.266 50 0 HGAARO Cc1ccc2c(c1)N(CCCC(=O)NCCC[N@@H+](C)C1CCCCC1)C(=O)CO2 ZINC000006751239 132314889 /nfs/dbraw/zinc/31/48/89/132314889.db2.gz QAEDLLOCNKOZMH-UHFFFAOYSA-N 1 0 401.551 3.271 50 0 HGAARO Cc1ccc([C@@H]([NH2+]CC(=O)N2CCN(c3ccccn3)CC2)c2cccs2)cc1 ZINC000007753520 132325580 /nfs/dbraw/zinc/32/55/80/132325580.db2.gz ROFABABSJVEZNL-HSZRJFAPSA-N 1 0 406.555 3.479 50 0 HGAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000011881057 132351615 /nfs/dbraw/zinc/35/16/15/132351615.db2.gz HUEDGAWDWHAIAL-UHFFFAOYSA-N 1 0 407.514 3.314 50 0 HGAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccc(C)cc4)c(C)c32)CC1 ZINC000033048357 132501564 /nfs/dbraw/zinc/50/15/64/132501564.db2.gz ZUBUUTAJEFPBBS-UHFFFAOYSA-N 1 0 409.559 3.380 50 0 HGAARO CCC[NH+]1CCN(CCCNC(=O)c2cnc(SC)nc2-c2ccccc2)CC1 ZINC000020557760 519858002 /nfs/dbraw/zinc/85/80/02/519858002.db2.gz QALOBHXUJHABKS-UHFFFAOYSA-N 1 0 413.591 3.013 50 0 HGAARO CCC[NH+]1CCN(c2ncc3c(n2)-c2cn(-c4ccc(C)cc4)nc2NCC3)CC1 ZINC000032918704 519860647 /nfs/dbraw/zinc/86/06/47/519860647.db2.gz NWKSPIARSPASAM-UHFFFAOYSA-N 1 0 403.534 3.138 50 0 HGAARO CC[N@H+](CCC(=O)Nc1ccnn1C1CCCC1)CC(=O)Nc1ccc(OC)cc1 ZINC000030221349 520984700 /nfs/dbraw/zinc/98/47/00/520984700.db2.gz OVMGXIUOXUPXTH-UHFFFAOYSA-N 1 0 413.522 3.296 50 0 HGAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2)CC1 ZINC000032916035 521688841 /nfs/dbraw/zinc/68/88/41/521688841.db2.gz ZNIRTTCIYSOZIF-UHFFFAOYSA-N 1 0 406.530 3.425 50 0 HGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1ccccc1Cl ZINC000032547821 521745017 /nfs/dbraw/zinc/74/50/17/521745017.db2.gz YZVDOHDLLNCHCU-JXFKEZNVSA-N 1 0 407.892 3.487 50 0 HGAARO COc1cc(Br)ccc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000041095417 522031697 /nfs/dbraw/zinc/03/16/97/522031697.db2.gz IAMQHQSPYMCBNX-UHFFFAOYSA-N 1 0 405.358 3.045 50 0 HGAARO CC[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CCc2ccccc21)[NH+]1CCCC1 ZINC000041594149 522530872 /nfs/dbraw/zinc/53/08/72/522530872.db2.gz IDEOVMSPCOZPCZ-IBGZPJMESA-N 1 0 406.530 3.310 50 0 HGAARO COc1ccc(-c2coc3cc(OCCN4CC[NH+](C)CC4)ccc3c2=O)cc1OC ZINC000020591871 523157213 /nfs/dbraw/zinc/15/72/13/523157213.db2.gz GOGWJRVLVFKSEA-UHFFFAOYSA-N 1 0 424.497 3.103 50 0 biogenic HGAARO COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2)CN1Cc1ccccc1Cl ZINC000032577700 523915221 /nfs/dbraw/zinc/91/52/21/523915221.db2.gz FKLXCBFWDBWLLP-UNMCSNQZSA-N 1 0 415.965 3.144 50 0 HGAARO COc1ccccc1[C@@H](CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)[NH+]1CCCC1 ZINC000032841476 524733649 /nfs/dbraw/zinc/73/36/49/524733649.db2.gz QRQORQZISYHJOW-HXUWFJFHSA-N 1 0 423.492 3.290 50 0 HGAARO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC000032755416 524945927 /nfs/dbraw/zinc/94/59/27/524945927.db2.gz FOZSRWAARUVPNY-CALCHBBNSA-N 1 0 405.539 3.192 50 0 HGAARO Cc1cc(N2C[C@H](C(=O)NC3CC[NH+](C(C)C)CC3)CC2=O)ccc1Br ZINC000032795775 525096559 /nfs/dbraw/zinc/09/65/59/525096559.db2.gz OQLNKOVJBOFDGY-OAHLLOKOSA-N 1 0 422.367 3.099 50 0 HGAARO Cc1ccc(S(=O)(=O)N[C@H](C)CC[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000032916442 525587545 /nfs/dbraw/zinc/58/75/45/525587545.db2.gz AEZVDLMPPGONLY-HXUWFJFHSA-N 1 0 401.576 3.183 50 0 HGAARO O=C(NC[C@@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000023203199 526493097 /nfs/dbraw/zinc/49/30/97/526493097.db2.gz ZOVSLUWDZKFJLC-NRFANRHFSA-N 1 0 406.555 3.432 50 0 HGAARO O=C(NCc1ccc(N2CCCC2=O)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032862688 526682264 /nfs/dbraw/zinc/68/22/64/526682264.db2.gz BWYLZWSBBBKQEA-UHFFFAOYSA-N 1 0 406.530 3.277 50 0 HGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032873757 526922263 /nfs/dbraw/zinc/92/22/63/526922263.db2.gz SQLQDFGOPBPPBE-IFMALSPDSA-N 1 0 409.505 3.069 50 0 HGAARO O=C(Nc1nc(C(=O)N2CCC([NH+]3CCCC3)CC2)cs1)c1ccc(F)c(F)c1 ZINC000040355669 527504298 /nfs/dbraw/zinc/50/42/98/527504298.db2.gz WMBUQCCCSGCYQA-UHFFFAOYSA-N 1 0 420.485 3.374 50 0 HGAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cccc(I)c2)CC1 ZINC000003105450 536424731 /nfs/dbraw/zinc/42/47/31/536424731.db2.gz NAHGTQUZOGGATP-UHFFFAOYSA-N 1 0 421.282 3.295 50 0 HGAARO COc1ccccc1N(C[C@H](O)C[NH+]1CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000000864232 557105226 /nfs/dbraw/zinc/10/52/26/557105226.db2.gz RADKTLWBTFFWFV-LJQANCHMSA-N 1 0 418.559 3.046 50 0 HGAARO Cc1cc([C@@H]2C[C@H](C(=O)NCC[NH+](C)C)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715479 557429055 /nfs/dbraw/zinc/42/90/55/557429055.db2.gz AJUCGIIGBBADAM-RTWAWAEBSA-N 1 0 411.521 3.058 50 0 HGAARO O=C(C[NH+]1CCCC1)N1CCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000004223077 557529942 /nfs/dbraw/zinc/52/99/42/557529942.db2.gz FVZWIQJNPUQNAA-UHFFFAOYSA-N 1 0 401.514 3.041 50 0 HGAARO O=C(CCC(=O)N(C1CC1)C1CC[NH+](Cc2ccccc2)CC1)NCc1ccncc1 ZINC000004229402 557530410 /nfs/dbraw/zinc/53/04/10/557530410.db2.gz KKUJOOHSFVNWHJ-UHFFFAOYSA-N 1 0 420.557 3.134 50 0 HGAARO COc1cc(C[NH2+]CCCN2CCOCC2)c(Br)cc1OC(C)C ZINC000004670857 557579275 /nfs/dbraw/zinc/57/92/75/557579275.db2.gz NLPUFLVFMQDYHN-UHFFFAOYSA-N 1 0 401.345 3.057 50 0 HGAARO O=C1C[C@@H]([NH2+]CC2CCCCC2)C(=O)N1c1ccc(I)cc1 ZINC000004978106 557619943 /nfs/dbraw/zinc/61/99/43/557619943.db2.gz AJAPBXKAEIYKCD-OAHLLOKOSA-N 1 0 412.271 3.093 50 0 HGAARO CCOc1cc(Br)ccc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000005235048 557640807 /nfs/dbraw/zinc/64/08/07/557640807.db2.gz WQGKTSXEOSNTIQ-UHFFFAOYSA-N 1 0 419.385 3.435 50 0 HGAARO CC(=O)Oc1c(C)cc(OC[C@@H](O)C[NH2+]CCOc2ccccc2C)c(C)c1C ZINC000006504798 557705836 /nfs/dbraw/zinc/70/58/36/557705836.db2.gz MQBHPOWESALHTB-FQEVSTJZSA-N 1 0 401.503 3.254 50 0 HGAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c2cccs2)CC1 ZINC000022681413 557765576 /nfs/dbraw/zinc/76/55/76/557765576.db2.gz FETKMTGICLBWTO-SFHVURJKSA-N 1 0 411.527 3.177 50 0 HGAARO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062851 557821445 /nfs/dbraw/zinc/82/14/45/557821445.db2.gz YERNCKMEQMDXKD-UHFFFAOYSA-N 1 0 412.486 3.341 50 0 HGAARO O=C(NCCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011665121 558268432 /nfs/dbraw/zinc/26/84/32/558268432.db2.gz MRHQHJGKJVNGSQ-QFIPXVFZSA-N 1 0 406.574 3.117 50 0 HGAARO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000011760430 558273231 /nfs/dbraw/zinc/27/32/31/558273231.db2.gz ZMDJZGYDDBOHAQ-QGZVFWFLSA-N 1 0 411.477 3.459 50 0 HGAARO COc1cc(CN(C)Cc2ccon2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011816277 558279531 /nfs/dbraw/zinc/27/95/31/558279531.db2.gz CGLGUIOPILZKOA-NRFANRHFSA-N 1 0 417.550 3.319 50 0 HGAARO CCn1ccnc1CN1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000011819841 558282926 /nfs/dbraw/zinc/28/29/26/558282926.db2.gz ZNGIECZDDRXLOS-HSZRJFAPSA-N 1 0 423.605 3.286 50 0 HGAARO CN(Cc1ccon1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011821091 558284303 /nfs/dbraw/zinc/28/43/03/558284303.db2.gz CQWYDCPQCOGUOW-UHFFFAOYSA-N 1 0 406.486 3.385 50 0 HGAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccc(C)n4)C3)C2=O)c1OC ZINC000011822106 558285311 /nfs/dbraw/zinc/28/53/11/558285311.db2.gz KVGTYLXUCQBRJA-XMMPIXPASA-N 1 0 409.530 3.422 50 0 HGAARO NC(=O)[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011878939 558293370 /nfs/dbraw/zinc/29/33/70/558293370.db2.gz QYMDKKFNSBISMK-LJQANCHMSA-N 1 0 418.497 3.024 50 0 HGAARO Cc1nc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4cccc(C)n4)CC3)O2)cs1 ZINC000011982892 558306426 /nfs/dbraw/zinc/30/64/26/558306426.db2.gz ZHGDWVLDQSXKCG-SFHVURJKSA-N 1 0 400.548 3.099 50 0 HGAARO Cc1cc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4cccc(Cl)c4)CC3)O2)n(C)n1 ZINC000011996272 558306811 /nfs/dbraw/zinc/30/68/11/558306811.db2.gz BIKLARYJGJLUPM-LJQANCHMSA-N 1 0 416.953 3.326 50 0 HGAARO Brc1ccc(OCc2ccccc2)c(C[NH2+]CCN2CCOCC2)c1 ZINC000019922802 558307362 /nfs/dbraw/zinc/30/73/62/558307362.db2.gz MLVNFQRBDWNSRL-UHFFFAOYSA-N 1 0 405.336 3.450 50 0 HGAARO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012001537 558308418 /nfs/dbraw/zinc/30/84/18/558308418.db2.gz UDELWFJCDJEDQO-FQEVSTJZSA-N 1 0 410.514 3.305 50 0 HGAARO CC[NH+]1CCN(CC(=O)NC2=Nc3ccccc3N=C(C)[C@H]2c2ccccc2)CC1 ZINC000019938259 558312915 /nfs/dbraw/zinc/31/29/15/558312915.db2.gz WVOMBQKFGLFIJF-QHCPKHFHSA-N 1 0 403.530 3.360 50 0 HGAARO O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)NCC[NH+]1CCCCC1 ZINC000012054847 558315372 /nfs/dbraw/zinc/31/53/72/558315372.db2.gz WCHHAGYECNZCOO-VWLOTQADSA-N 1 0 407.558 3.413 50 0 HGAARO Cn1cc(C[N@@H+]2CCCC[C@H]2CCn2cccn2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012058455 558316839 /nfs/dbraw/zinc/31/68/39/558316839.db2.gz BVJVZPTVNUYKSP-FQEVSTJZSA-N 1 0 407.518 3.500 50 0 HGAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1CC[NH+](C2CCCCC2)CC1 ZINC000019996983 558317597 /nfs/dbraw/zinc/31/75/97/558317597.db2.gz JWAJIOYGIZUNAH-INIZCTEOSA-N 1 0 412.534 3.232 50 0 HGAARO C[NH+](C)CCN1C[C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CCC1=O ZINC000012075315 558319403 /nfs/dbraw/zinc/31/94/03/558319403.db2.gz YSKWTLFKEWSYQT-JOCHJYFZSA-N 1 0 407.558 3.125 50 0 HGAARO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(C)c(Cl)c3)CC2)cc1 ZINC000020029111 558323403 /nfs/dbraw/zinc/32/34/03/558323403.db2.gz LRCCOUAEYZWLSU-HXUWFJFHSA-N 1 0 417.937 3.169 50 0 HGAARO CC[C@@H](C)C[NH+]1CCC([C@@]2(CC)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 ZINC000012131180 558332818 /nfs/dbraw/zinc/33/28/18/558332818.db2.gz SKFFJQFDZQZXBW-WAIKUNEKSA-N 1 0 415.534 3.374 50 0 HGAARO CCn1nc(C)c(C[NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)c1C ZINC000020149124 558340163 /nfs/dbraw/zinc/34/01/63/558340163.db2.gz SRESTZRVBPXVLP-UHFFFAOYSA-N 1 0 407.522 3.201 50 0 HGAARO COc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)C(C)C)O3)CC2)c(OC)c1C ZINC000012190377 558347325 /nfs/dbraw/zinc/34/73/25/558347325.db2.gz FYVMQVRIQZGDQP-IBGZPJMESA-N 1 0 404.551 3.298 50 0 HGAARO CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](Cc1cccs1)CC2 ZINC000012190944 558347574 /nfs/dbraw/zinc/34/75/74/558347574.db2.gz CQNWNUOAQGTHBD-LJQANCHMSA-N 1 0 424.574 3.310 50 0 HGAARO Cc1n[nH]c(CC[NH2+]Cc2cc3ccc(F)cc3n(CCc3ccccc3)c2=O)n1 ZINC000020272645 558353107 /nfs/dbraw/zinc/35/31/07/558353107.db2.gz YQGRTEGTXVVQIA-UHFFFAOYSA-N 1 0 405.477 3.142 50 0 HGAARO CCN1CC[NH+](CCCCOc2ccc(C)cc2I)CC1 ZINC000020406479 558360126 /nfs/dbraw/zinc/36/01/26/558360126.db2.gz UZBWQDLXTNEXLI-UHFFFAOYSA-N 1 0 402.320 3.396 50 0 HGAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000020451280 558365691 /nfs/dbraw/zinc/36/56/91/558365691.db2.gz ZCUYOWCTAUUJJV-FQEVSTJZSA-N 1 0 409.530 3.211 50 0 HGAARO CN(C(=O)c1cc(=O)c2ccccc2o1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012298821 558369083 /nfs/dbraw/zinc/36/90/83/558369083.db2.gz RQCCJWHTHXQRDR-IBGZPJMESA-N 1 0 402.494 3.497 50 0 HGAARO O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020478947 558374711 /nfs/dbraw/zinc/37/47/11/558374711.db2.gz LYGYMCAUMGAGEH-UHFFFAOYSA-N 1 0 401.482 3.474 50 0 HGAARO CCn1c2ccccc2c2cc(CN3CC[C@@H]([NH+]4CCC(O)CC4)[C@H](O)C3)ccc21 ZINC000012308291 558376635 /nfs/dbraw/zinc/37/66/35/558376635.db2.gz DLSYXSHIODEQJW-JWQCQUIFSA-N 1 0 407.558 3.206 50 0 HGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1cc(C2CC2)n[nH]1 ZINC000012317367 558380818 /nfs/dbraw/zinc/38/08/18/558380818.db2.gz HVMGMQAYHLQPFQ-UHFFFAOYSA-N 1 0 414.525 3.427 50 0 HGAARO CCn1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(=O)c2ccc(C)nc21 ZINC000012391177 558397006 /nfs/dbraw/zinc/39/70/06/558397006.db2.gz KMYNDLKSCAKZRU-UHFFFAOYSA-N 1 0 404.514 3.119 50 0 HGAARO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO ZINC000020778043 558412051 /nfs/dbraw/zinc/41/20/51/558412051.db2.gz IRFVBAPTDHWPCZ-DEOSSOPVSA-N 1 0 420.557 3.340 50 0 HGAARO CC[C@H]([NH2+]Cc1c(C(=O)N2CCOCC2)nc2c(C)cccn12)c1ccc(F)cc1 ZINC000012444585 558413109 /nfs/dbraw/zinc/41/31/09/558413109.db2.gz OHPKUWSWBYJNMN-IBGZPJMESA-N 1 0 410.493 3.495 50 0 HGAARO COc1ccc(OC)c(CC(=O)N(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012443674 558413124 /nfs/dbraw/zinc/41/31/24/558413124.db2.gz OIXXVLHBSKECFE-NRFANRHFSA-N 1 0 408.542 3.337 50 0 HGAARO c1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)n(-c2ncccn2)c1 ZINC000020911344 558422132 /nfs/dbraw/zinc/42/21/32/558422132.db2.gz JZJOOTSJQWXPTR-JOCHJYFZSA-N 1 0 402.546 3.054 50 0 HGAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020914938 558422664 /nfs/dbraw/zinc/42/26/64/558422664.db2.gz QDVAENFCTHNGKO-NRFANRHFSA-N 1 0 407.518 3.365 50 0 HGAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2nonc2C)CC1 ZINC000012592942 558436335 /nfs/dbraw/zinc/43/63/35/558436335.db2.gz OSUWYVOVUWPXKW-UHFFFAOYSA-N 1 0 400.523 3.397 50 0 HGAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)Cn2nc3ccccc3n2)C1 ZINC000012594363 558436908 /nfs/dbraw/zinc/43/69/08/558436908.db2.gz PCXKDQICSIUTTC-HXUWFJFHSA-N 1 0 405.546 3.153 50 0 HGAARO COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(cccc3F)s2)cc1 ZINC000004359286 558450605 /nfs/dbraw/zinc/45/06/05/558450605.db2.gz ACTPDZOAJFOWRL-UHFFFAOYSA-N 1 0 401.463 3.430 50 0 HGAARO CC[NH+](CC)C[C@H](O)COc1cc(CNCc2c(F)cccc2F)ccc1OC ZINC000012708533 558450969 /nfs/dbraw/zinc/45/09/69/558450969.db2.gz AJYIXVZADVXGAU-KRWDZBQOSA-N 1 0 408.489 3.345 50 0 HGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)Cc3cccs3)C2)cc1OC ZINC000012709124 558451337 /nfs/dbraw/zinc/45/13/37/558451337.db2.gz HPDYLRGGIBCXNU-SFHVURJKSA-N 1 0 402.560 3.473 50 0 HGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CCCn1cncn1 ZINC000012714395 558454350 /nfs/dbraw/zinc/45/43/50/558454350.db2.gz BSYXLSHJMCTQDD-FQEVSTJZSA-N 1 0 401.530 3.001 50 0 HGAARO COc1ccc(-n2cc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000012746117 558457976 /nfs/dbraw/zinc/45/79/76/558457976.db2.gz QVOOCEXZRGJUIY-KRWDZBQOSA-N 1 0 408.477 3.384 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)c(C)c2)CC1 ZINC000022238039 558471252 /nfs/dbraw/zinc/47/12/52/558471252.db2.gz UKLNZXHCCYLLQI-LJQANCHMSA-N 1 0 410.493 3.341 50 0 HGAARO C[NH+](C)Cc1ccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000013008909 558502714 /nfs/dbraw/zinc/50/27/14/558502714.db2.gz AZAGVCHJQFZZSN-OUKQBFOZSA-N 1 0 405.542 3.316 50 0 HGAARO CN(Cc1ccc(C(F)(F)F)cc1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000022834527 558515833 /nfs/dbraw/zinc/51/58/33/558515833.db2.gz FHVABCPZMJNXLH-UHFFFAOYSA-N 1 0 405.376 3.086 50 0 HGAARO COc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)c(Cl)c1OC ZINC000022852441 558517330 /nfs/dbraw/zinc/51/73/30/558517330.db2.gz HMSXLMHQGGIWNW-HXUWFJFHSA-N 1 0 418.965 3.469 50 0 HGAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000022920152 558522661 /nfs/dbraw/zinc/52/26/61/558522661.db2.gz QKGQLIQDIGCLKK-DEOSSOPVSA-N 1 0 408.521 3.389 50 0 HGAARO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000023310929 558548569 /nfs/dbraw/zinc/54/85/69/558548569.db2.gz DJTVJPDIVOHVIK-SFHVURJKSA-N 1 0 416.493 3.250 50 0 HGAARO OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CC[N@@H+]1CCCc1ccccc1 ZINC000023373209 558553059 /nfs/dbraw/zinc/55/30/59/558553059.db2.gz NOZMSEZRCIEDSV-XMMPIXPASA-N 1 0 404.558 3.374 50 0 HGAARO COc1ccc(CCNC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1OC ZINC000013759249 558591038 /nfs/dbraw/zinc/59/10/38/558591038.db2.gz NHRAENHKSWAHKR-UHFFFAOYSA-O 1 0 420.533 3.073 50 0 HGAARO CCN1CCN(C(=O)[C@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000024177960 558591048 /nfs/dbraw/zinc/59/10/48/558591048.db2.gz VAXIYHFGOSSRCP-SIKLNZKXSA-N 1 0 404.558 3.442 50 0 HGAARO CCn1c(SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccco1 ZINC000024762584 558611097 /nfs/dbraw/zinc/61/10/97/558611097.db2.gz OGIXFFLAHYLXLM-QGZVFWFLSA-N 1 0 411.531 3.041 50 0 HGAARO O=C(CC[NH+]1CCC(C(=O)NCc2ccccc2)CC1)Nc1ccnn1C1CCCC1 ZINC000024927631 558621223 /nfs/dbraw/zinc/62/12/23/558621223.db2.gz NJIANFUYBVKKFC-UHFFFAOYSA-N 1 0 423.561 3.355 50 0 HGAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]C1Cc3ccccc3C1)CC2 ZINC000014745379 558668933 /nfs/dbraw/zinc/66/89/33/558668933.db2.gz MKQMPCOVFGCVJT-OAQYLSRUSA-N 1 0 414.553 3.248 50 0 HGAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC2CCCC2)C[N@H+](Cc2ccncc2)C1 ZINC000014755429 558671727 /nfs/dbraw/zinc/67/17/27/558671727.db2.gz DRZJBJRRAICTNS-RBUKOAKNSA-N 1 0 424.520 3.356 50 0 HGAARO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](C[C@H]2CC=CCC2)CC3)CC1 ZINC000014882436 558676511 /nfs/dbraw/zinc/67/65/11/558676511.db2.gz RRTYXIISTKYERG-ICSRJNTNSA-N 1 0 403.567 3.182 50 0 HGAARO Cn1cc(CCC(=O)NCC2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)cn1 ZINC000014956567 558682619 /nfs/dbraw/zinc/68/26/19/558682619.db2.gz TVNQPKGOLMCGHN-UHFFFAOYSA-N 1 0 402.542 3.139 50 0 HGAARO CC[C@H]1C[N@H+](CCC(=O)NCc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2O1 ZINC000014995299 558696015 /nfs/dbraw/zinc/69/60/15/558696015.db2.gz UAZQJCZNUORSGJ-SFHVURJKSA-N 1 0 412.486 3.103 50 0 HGAARO Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CC[NH+](C5CCCC5)CC4)c3C)n2)o1 ZINC000015007887 558699338 /nfs/dbraw/zinc/69/93/38/558699338.db2.gz UKBWFFNYJYVSMJ-UHFFFAOYSA-N 1 0 420.517 3.240 50 0 HGAARO COc1ccc(OCc2cc(C(=O)N(C)C[C@H]3CCCC[N@@H+]3C)n[nH]2)c(Cl)c1 ZINC000015066082 558709003 /nfs/dbraw/zinc/70/90/03/558709003.db2.gz PYDXEJSSXRZURH-OAHLLOKOSA-N 1 0 406.914 3.207 50 0 HGAARO Cn1cc(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c(=O)c2ccccc21 ZINC000015070244 558712350 /nfs/dbraw/zinc/71/23/50/558712350.db2.gz JJFOAINPUFYSCH-FQEVSTJZSA-N 1 0 403.526 3.366 50 0 HGAARO CSc1ccc(C[NH+]2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)cc1 ZINC000015077510 558717148 /nfs/dbraw/zinc/71/71/48/558717148.db2.gz XALLOJGLXIOKGX-QGZVFWFLSA-N 1 0 400.548 3.417 50 0 HGAARO O[C@@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000015077746 558717270 /nfs/dbraw/zinc/71/72/70/558717270.db2.gz GSXVIUHQRUZZIN-FGZHOGPDSA-N 1 0 403.929 3.237 50 0 HGAARO CCOC(=O)C1C(C[NH+]2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000015319070 558732340 /nfs/dbraw/zinc/73/23/40/558732340.db2.gz GNKWWMYSQVHRQX-PJIJBLCYSA-N 1 0 405.926 3.489 50 0 HGAARO CCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000015481071 558740962 /nfs/dbraw/zinc/74/09/62/558740962.db2.gz LZEWOXNBEDJCJU-LBPRGKRZSA-N 1 0 408.296 3.375 50 0 HGAARO C[C@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000072297866 558750049 /nfs/dbraw/zinc/75/00/49/558750049.db2.gz ZVSYDZKYKYZOBF-BSEYFRJRSA-N 1 0 417.413 3.429 50 0 HGAARO Cc1cccc(C[NH+]2CCC(NC(=O)c3ccnc(N4CCO[C@@H](C)C4)c3)CC2)c1 ZINC000072305406 558759786 /nfs/dbraw/zinc/75/97/86/558759786.db2.gz BAQYFNPUWXTZMJ-IBGZPJMESA-N 1 0 408.546 3.010 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088543 558760908 /nfs/dbraw/zinc/76/09/08/558760908.db2.gz SOGREQQLUAERFL-GFCCVEGCSA-N 1 0 422.411 3.007 50 0 HGAARO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016010170 558766446 /nfs/dbraw/zinc/76/64/46/558766446.db2.gz RXHGYBFSZYMAQJ-KGYLXKDPSA-N 1 0 423.900 3.229 50 0 HGAARO Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]C4CCCCC4)cc3)cc2n(C)c1=O ZINC000016363897 558788359 /nfs/dbraw/zinc/78/83/59/558788359.db2.gz GPPXMIQGKGMCDQ-QHCPKHFHSA-N 1 0 409.530 3.412 50 0 HGAARO CCc1cccc(C)c1-n1nnnc1C1(N2CC[NH2+]CC2)C2CC3CC(C2)CC1C3 ZINC000035170764 558788690 /nfs/dbraw/zinc/78/86/90/558788690.db2.gz IKGFTQINVFUFDP-UHFFFAOYSA-N 1 0 406.578 3.090 50 0 HGAARO C[C@H](CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000035421893 558791501 /nfs/dbraw/zinc/79/15/01/558791501.db2.gz WNLUVGVBRZHHQY-GOSISDBHSA-N 1 0 413.949 3.408 50 0 HGAARO Cc1cc(C)n(-c2ccc(F)cc2CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)n1 ZINC000036385640 558799591 /nfs/dbraw/zinc/79/95/91/558799591.db2.gz BRTTXYSXBFTPOW-JOCHJYFZSA-N 1 0 400.542 3.439 50 0 HGAARO CCn1nc(C)c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1C ZINC000038149493 558810980 /nfs/dbraw/zinc/81/09/80/558810980.db2.gz JRIMTWFYGWITJW-JOCHJYFZSA-N 1 0 414.594 3.214 50 0 HGAARO CCCn1ncc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1C ZINC000039537541 558822201 /nfs/dbraw/zinc/82/22/01/558822201.db2.gz IILSZUWZPKMJGG-HSZRJFAPSA-N 1 0 414.594 3.296 50 0 HGAARO O=C1C2=C(CCCC2)[C@@H]([NH2+]CCCN2CCOCC2)N1CCc1ccc(Cl)cc1 ZINC000004591158 558829269 /nfs/dbraw/zinc/82/92/69/558829269.db2.gz HPHJUSKSLGUJEH-QFIPXVFZSA-N 1 0 417.981 3.233 50 0 HGAARO CCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)s1 ZINC000033011428 558830797 /nfs/dbraw/zinc/83/07/97/558830797.db2.gz GYJYHZQQORLDEX-UHFFFAOYSA-N 1 0 415.563 3.349 50 0 HGAARO Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c2)s1 ZINC000033022596 558837673 /nfs/dbraw/zinc/83/76/73/558837673.db2.gz UYWFZMPQBRQQPJ-UHFFFAOYSA-N 1 0 423.542 3.351 50 0 HGAARO CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCC3)c2)s1 ZINC000033022919 558838310 /nfs/dbraw/zinc/83/83/10/558838310.db2.gz WMWRMFPEZOHBDU-UHFFFAOYSA-N 1 0 415.563 3.205 50 0 HGAARO COc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000019148512 558847051 /nfs/dbraw/zinc/84/70/51/558847051.db2.gz FWVJNODULSMMHV-KRWDZBQOSA-N 1 0 405.498 3.230 50 0 HGAARO Cc1ccc(OCC[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000055390913 558880811 /nfs/dbraw/zinc/88/08/11/558880811.db2.gz NRKXRMYXSWFDPJ-UHFFFAOYSA-N 1 0 414.513 3.325 50 0 HGAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cn4c(cccc4C)n3)C2)CC1 ZINC000055568822 558882832 /nfs/dbraw/zinc/88/28/32/558882832.db2.gz AFXPSVBKEDKEMP-OAQYLSRUSA-N 1 0 417.557 3.378 50 0 HGAARO CC(C)[NH+]1CCC(N2CCN(Cc3c[nH]nc3C3CCCCC3)C[C@@H]2CCO)CC1 ZINC000019635328 558947468 /nfs/dbraw/zinc/94/74/68/558947468.db2.gz KEXHQTBWYMTNSV-QHCPKHFHSA-N 1 0 417.642 3.199 50 0 HGAARO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000064799751 558965483 /nfs/dbraw/zinc/96/54/83/558965483.db2.gz LIAZXQLYIVSZCU-UHFFFAOYSA-N 1 0 415.925 3.010 50 0 HGAARO COc1ccccc1NC(=O)N1CCN(c2nc(N3CCCCC3)cc(C)[nH+]2)CC1 ZINC000065362239 558972950 /nfs/dbraw/zinc/97/29/50/558972950.db2.gz KIYQMWDVGQPATL-UHFFFAOYSA-N 1 0 410.522 3.138 50 0 HGAARO O=C1OC2(CN1CCOc1ccccc1)CC[NH+](Cc1cccc3nonc31)CC2 ZINC000072474633 558983626 /nfs/dbraw/zinc/98/36/26/558983626.db2.gz ZTHDURTXNYFRLJ-UHFFFAOYSA-N 1 0 408.458 3.089 50 0 HGAARO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000097162371 558998132 /nfs/dbraw/zinc/99/81/32/558998132.db2.gz LPPXRIXULZMQGG-PKOBYXMFSA-N 1 0 400.523 3.376 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1cccc(F)c1 ZINC000023081682 559000166 /nfs/dbraw/zinc/00/01/66/559000166.db2.gz MYXRTOYOYHHIIR-AEFFLSMTSA-N 1 0 403.523 3.159 50 0 HGAARO Cc1ccc(OCCOC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000023109559 559011924 /nfs/dbraw/zinc/01/19/24/559011924.db2.gz USQFSUIXGWRQIR-JOCHJYFZSA-N 1 0 402.510 3.021 50 0 HGAARO Cc1ccccc1CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082083741 559036647 /nfs/dbraw/zinc/03/66/47/559036647.db2.gz WBBCZYYJMTUITQ-QFIPXVFZSA-N 1 0 406.574 3.383 50 0 HGAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(CCCC(F)(F)F)CC2)C1 ZINC000082098175 559037889 /nfs/dbraw/zinc/03/78/89/559037889.db2.gz JBRXXALIHVHERH-QGZVFWFLSA-N 1 0 412.500 3.217 50 0 HGAARO CC(C)(C)COC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082134879 559040039 /nfs/dbraw/zinc/04/00/39/559040039.db2.gz CCGZJGHUGLPNFC-SFHVURJKSA-N 1 0 416.566 3.057 50 0 HGAARO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)o1 ZINC000082138663 559040601 /nfs/dbraw/zinc/04/06/01/559040601.db2.gz QWMCWVOJHYOFPB-OAQYLSRUSA-N 1 0 410.562 3.318 50 0 HGAARO Cc1nc2cc(OCc3nc(C(=O)NC[C@@H](C)[NH+]4CCCC4)co3)ccc2s1 ZINC000091603115 559072278 /nfs/dbraw/zinc/07/22/78/559072278.db2.gz IAMDIFRPLNIFDZ-CYBMUJFWSA-N 1 0 400.504 3.386 50 0 HGAARO Cc1nc2cc(OCc3nc(C(=O)NC[C@H](C)[NH+]4CCCC4)co3)ccc2s1 ZINC000091603119 559072320 /nfs/dbraw/zinc/07/23/20/559072320.db2.gz IAMDIFRPLNIFDZ-ZDUSSCGKSA-N 1 0 400.504 3.386 50 0 HGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(=O)n(C)c1 ZINC000095498191 559081686 /nfs/dbraw/zinc/08/16/86/559081686.db2.gz UQNGOSYQHYUMBB-SFHVURJKSA-N 1 0 401.938 3.065 50 0 HGAARO O=C(c1ccon1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095522445 559085446 /nfs/dbraw/zinc/08/54/46/559085446.db2.gz JHQGXABYAWEYFG-LJQANCHMSA-N 1 0 401.482 3.347 50 0 HGAARO Cn1c(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc2ccccc21 ZINC000095531069 559086829 /nfs/dbraw/zinc/08/68/29/559086829.db2.gz FUDBFDRNAPXZKS-UHFFFAOYSA-N 1 0 403.530 3.187 50 0 HGAARO Cc1nn(C)c(Cl)c1CN1CCC[C@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000096835768 559112400 /nfs/dbraw/zinc/11/24/00/559112400.db2.gz ZKMSEOFNJJXNBW-IBGZPJMESA-N 1 0 401.986 3.477 50 0 HGAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000247801589 559119184 /nfs/dbraw/zinc/11/91/84/559119184.db2.gz VZRZWBFGPKVRJF-MOPGFXCFSA-N 1 0 419.591 3.312 50 0 HGAARO O=C(CCCN1C(=O)c2ccccc2C1=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000023487987 559176309 /nfs/dbraw/zinc/17/63/09/559176309.db2.gz SDGXANZTZIGCRS-UHFFFAOYSA-N 1 0 411.546 3.368 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc3c(c4ccccc4n(C)c3=O)n2C)C1 ZINC000004938782 559211628 /nfs/dbraw/zinc/21/16/28/559211628.db2.gz HCJPMRVAHBDYKB-CALCHBBNSA-N 1 0 408.546 3.128 50 0 HGAARO CCn1c(=O)cc(SCC(=O)NCCC[NH+]2CCC(C)CC2)c2ccccc21 ZINC000004936626 559211852 /nfs/dbraw/zinc/21/18/52/559211852.db2.gz CDQDGJVSPIJUKF-UHFFFAOYSA-N 1 0 401.576 3.352 50 0 HGAARO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3cc(C)cc(C)c3NC2=O)cc1 ZINC000033703890 559230702 /nfs/dbraw/zinc/23/07/02/559230702.db2.gz YPCMCWLQNKCUTE-PBQROFAYSA-N 1 0 415.493 3.043 50 0 biogenic HGAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCC(OC)OC)CC3)c(C)o2)cc1 ZINC000005043554 559236378 /nfs/dbraw/zinc/23/63/78/559236378.db2.gz MVESSOCIKLFDLK-UHFFFAOYSA-N 1 0 415.534 3.160 50 0 HGAARO COC(CNC(=O)C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)oc2C)CC1)OC ZINC000005043737 559236380 /nfs/dbraw/zinc/23/63/80/559236380.db2.gz AAWCSNDWSBRNDJ-UHFFFAOYSA-N 1 0 421.925 3.251 50 0 HGAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@H]21 ZINC000005093701 559244447 /nfs/dbraw/zinc/24/44/47/559244447.db2.gz NXHGHQPICZLDGO-LJQANCHMSA-N 1 0 421.497 3.432 50 0 HGAARO CC1CC[NH+](CCCNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000011714114 559254664 /nfs/dbraw/zinc/25/46/64/559254664.db2.gz YGJGLBHNAJIMIL-UHFFFAOYSA-N 1 0 416.591 3.034 50 0 HGAARO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](CCC(=O)NCc4ccco4)C3)C2=O)c1 ZINC000426434188 559271428 /nfs/dbraw/zinc/27/14/28/559271428.db2.gz ZSICNUPYCPGDQN-DEOSSOPVSA-N 1 0 409.530 3.109 50 0 HGAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccccc2F)N(CCC[NH+](C)C)C1=O ZINC000005345693 560569984 /nfs/dbraw/zinc/56/99/84/560569984.db2.gz ADOXXQRJSCSICC-HXUWFJFHSA-N 1 0 410.445 3.438 50 0 HGAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000002631283 560586356 /nfs/dbraw/zinc/58/63/56/560586356.db2.gz ODDFIUJTAGTZCI-APWZRJJASA-N 1 0 420.575 3.030 50 0 HGAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000409415106 560723451 /nfs/dbraw/zinc/72/34/51/560723451.db2.gz TZXOHCPJFHMULX-KNQAVFIVSA-N 1 0 411.550 3.215 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)[NH+]2CCCC2)cc1 ZINC000017911523 560730459 /nfs/dbraw/zinc/73/04/59/560730459.db2.gz KQLPXAYMEXBHPU-IBGZPJMESA-N 1 0 414.502 3.288 50 0 biogenic HGAARO CN1c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2C(=O)N2CCC[C@H]21 ZINC000583649010 560779106 /nfs/dbraw/zinc/77/91/06/560779106.db2.gz KYIRTBXAYCXISD-QHCPKHFHSA-N 1 0 418.541 3.093 50 0 HGAARO O=C(NCC[NH+]1CC=CC1)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000101436339 560794968 /nfs/dbraw/zinc/79/49/68/560794968.db2.gz WFXRJCYXGYBRIM-UHFFFAOYSA-N 1 0 414.303 3.303 50 0 HGAARO CC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@]23c2ccccc2N(C)C3=O)cc1 ZINC000103733248 560844086 /nfs/dbraw/zinc/84/40/86/560844086.db2.gz DRDWZWPEMFPULX-LJFZDNNRSA-N 1 0 403.482 3.184 50 0 HGAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000106536316 560892257 /nfs/dbraw/zinc/89/22/57/560892257.db2.gz GDODBXYULPSREU-GKAYAJSDSA-N 1 0 421.884 3.080 50 0 HGAARO CSCC[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@]2([NH2+]1)c1ccccc1N(C)C2=O ZINC000106808000 560893913 /nfs/dbraw/zinc/89/39/13/560893913.db2.gz APWAKIVXOCBAOL-TVTNDZMWSA-N 1 0 413.518 3.367 50 0 HGAARO Cc1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)o1 ZINC000014885748 560896857 /nfs/dbraw/zinc/89/68/57/560896857.db2.gz VOOIJLOPPMUIIL-XMMPIXPASA-N 1 0 407.514 3.278 50 0 HGAARO O=C(CCc1ccccc1Br)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000108141122 560897985 /nfs/dbraw/zinc/89/79/85/560897985.db2.gz NFWBWQJZRLZGPZ-OALUTQOASA-N 1 0 417.347 3.133 50 0 HGAARO CCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000045974122 568422793 /nfs/dbraw/zinc/42/27/93/568422793.db2.gz FZVIPOUMIOORTN-UHFFFAOYSA-N 1 0 411.502 3.441 50 0 HGAARO Cc1nc2ccc(NC(=O)NCc3ccc(N4CCC[N@@H+](C)CC4)nc3)cc2s1 ZINC000048237633 568433114 /nfs/dbraw/zinc/43/31/14/568433114.db2.gz BXAALYZOXHIJBW-UHFFFAOYSA-N 1 0 410.547 3.463 50 0 HGAARO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000048303171 568437955 /nfs/dbraw/zinc/43/79/55/568437955.db2.gz HEGBMSRZWOAUGS-SFHVURJKSA-N 1 0 422.554 3.161 50 0 HGAARO Cc1ccc(C[N@@H+]2CCc3ncn(CC(=O)Nc4ccc(C)cc4)c(=O)c3C2)cc1 ZINC000049400902 568447575 /nfs/dbraw/zinc/44/75/75/568447575.db2.gz BMHGKOJRACGYDT-UHFFFAOYSA-N 1 0 402.498 3.057 50 0 HGAARO Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000008396281 568499449 /nfs/dbraw/zinc/49/94/49/568499449.db2.gz JVGTXDGBNVBUIS-GWLUTCJNSA-O 1 0 420.439 3.289 50 0 HGAARO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](C(C)C)[NH+](C)C)cc2)cc1C ZINC000022754927 568500162 /nfs/dbraw/zinc/50/01/62/568500162.db2.gz GRVXWOYYZKLAEV-NRFANRHFSA-N 1 0 417.575 3.420 50 0 HGAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(OC)cs2)cc1OC ZINC000095430420 568608838 /nfs/dbraw/zinc/60/88/38/568608838.db2.gz PZCSTVWYLKLVJQ-UHFFFAOYSA-N 1 0 405.520 3.089 50 0 HGAARO C[C@@H]([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 ZINC000095469680 568625890 /nfs/dbraw/zinc/62/58/90/568625890.db2.gz VGQSGTPDODSZTL-HUIQTFQGSA-N 1 0 422.635 3.139 50 0 HGAARO COc1ccc2cc(CN(C)C(=O)C[N@H+](C)C[C@H]3CCn4ccnc4C3)ccc2c1 ZINC000225671917 568662690 /nfs/dbraw/zinc/66/26/90/568662690.db2.gz NYHCMLOXEUVQOZ-IBGZPJMESA-N 1 0 406.530 3.198 50 0 HGAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc(F)cc(Br)c1 ZINC000096007078 568683241 /nfs/dbraw/zinc/68/32/41/568683241.db2.gz MNVYPNMOGNDWQV-IBGZPJMESA-N 1 0 421.310 3.475 50 0 HGAARO C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013570 568685423 /nfs/dbraw/zinc/68/54/23/568685423.db2.gz CZBNFNZDZMBRRF-CVDCTZTESA-N 1 0 420.513 3.388 50 0 HGAARO O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000229686574 568714925 /nfs/dbraw/zinc/71/49/25/568714925.db2.gz GVHGNIFAAQTNGQ-RTBURBONSA-N 1 0 414.500 3.365 50 0 HGAARO CCCn1cc(CNc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000241657632 568731518 /nfs/dbraw/zinc/73/15/18/568731518.db2.gz PXXCNHIZAWNVPZ-UHFFFAOYSA-N 1 0 406.372 3.415 50 0 HGAARO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[NH2+]C1CC1 ZINC000002649499 568795863 /nfs/dbraw/zinc/79/58/63/568795863.db2.gz PSGNIELIOFZGPM-UHFFFAOYSA-N 1 0 401.488 3.176 50 0 HGAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000057142631 568824499 /nfs/dbraw/zinc/82/44/99/568824499.db2.gz BVDAVDXUTFQNSA-QUSSIACISA-N 1 0 415.877 3.141 50 0 HGAARO O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCC[NH+]1CCCCCC1 ZINC000003010134 568837587 /nfs/dbraw/zinc/83/75/87/568837587.db2.gz QAZKSHYAVOKSNY-UHFFFAOYSA-N 1 0 416.953 3.336 50 0 HGAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NC(C)C)C2 ZINC000230138090 568851159 /nfs/dbraw/zinc/85/11/59/568851159.db2.gz MGAJNFHGUSLJQZ-GMAHTHKFSA-N 1 0 411.521 3.222 50 0 HGAARO Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2C[C@H](CO)CC[C@H]2C)c2ccccc2)cc1 ZINC000230199789 568854556 /nfs/dbraw/zinc/85/45/56/568854556.db2.gz DTNOJFNBTQNVPA-WOIUINJBSA-N 1 0 402.560 3.107 50 0 HGAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000299755070 568872589 /nfs/dbraw/zinc/87/25/89/568872589.db2.gz AXNRXHUOJBGGBD-UHFFFAOYSA-N 1 0 408.506 3.214 50 0 HGAARO Cc1cnc(-n2ncc(C(=O)N3CCN(C)CC3)c2C(C)C)nc1-c1ccc(F)cc1 ZINC000299755669 568872705 /nfs/dbraw/zinc/87/27/05/568872705.db2.gz BLNSEKUDWACCSE-UHFFFAOYSA-N 1 0 422.508 3.288 50 0 HGAARO Cc1ccccc1C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299781890 568875241 /nfs/dbraw/zinc/87/52/41/568875241.db2.gz LWZKKXIULPQTSP-QHCPKHFHSA-N 1 0 412.505 3.405 50 0 HGAARO COc1cccc(-c2nc3cc(F)ccc3cc2C[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000299802692 568876680 /nfs/dbraw/zinc/87/66/80/568876680.db2.gz NKXHFCDGLUOBQX-GOSISDBHSA-N 1 0 400.475 3.326 50 0 HGAARO CCC(CC)[C@H](CNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O)[NH+]1CCCC1 ZINC000078413809 568884414 /nfs/dbraw/zinc/88/44/14/568884414.db2.gz WHLDQVWCFXPMSJ-AOMKIAJQSA-N 1 0 421.607 3.163 50 0 HGAARO Cc1ccc(-c2cc3n(n2)[C@@H](NC2CC[NH+](Cc4ccccc4)CC2)CNC3=O)cc1 ZINC000263615069 568910053 /nfs/dbraw/zinc/91/00/53/568910053.db2.gz AKJFDLRXBKDOID-XMMPIXPASA-N 1 0 415.541 3.355 50 0 HGAARO O=C1NC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)n2nc(-c3ccc(F)cc3)cc21 ZINC000263616700 568911044 /nfs/dbraw/zinc/91/10/44/568911044.db2.gz KCGRJXXSYBAJSK-QHCPKHFHSA-N 1 0 419.504 3.185 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)Cc1ccccc1 ZINC000031657834 568928877 /nfs/dbraw/zinc/92/88/77/568928877.db2.gz FIHJTGBXEGDSIN-HSZRJFAPSA-N 1 0 424.545 3.286 50 0 HGAARO COc1c2c(cc3c1[C@@H](C[C@H](O)CCc1ccc4c(c1)OCO4)[N@H+](C)CC3)OCO2 ZINC000004042835 568935910 /nfs/dbraw/zinc/93/59/10/568935910.db2.gz SDGLWTATVZQCPU-IAGOWNOFSA-N 1 0 413.470 3.065 50 0 biogenic HGAARO CC[NH+](CC)[C@@H](CNC(=O)CCCNC(=O)c1cccs1)c1cccc(OC)c1 ZINC000012749480 568937196 /nfs/dbraw/zinc/93/71/96/568937196.db2.gz FJGUWUSJECOTDQ-IBGZPJMESA-N 1 0 417.575 3.466 50 0 HGAARO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000084705646 568956290 /nfs/dbraw/zinc/95/62/90/568956290.db2.gz JFZHDBFDNUFDAW-QZTJIDSGSA-N 1 0 414.571 3.319 50 0 HGAARO Cc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000012785205 568959718 /nfs/dbraw/zinc/95/97/18/568959718.db2.gz PVYISXNUQISLSE-UHFFFAOYSA-N 1 0 424.570 3.484 50 0 HGAARO COc1ccccc1CNC(=O)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000015727000 568978360 /nfs/dbraw/zinc/97/83/60/568978360.db2.gz VYOGYNPLESDZCB-UHFFFAOYSA-N 1 0 408.477 3.417 50 0 HGAARO CCOC(=O)c1noc2ncnc(NCC3CC[NH+](Cc4ccccc4F)CC3)c21 ZINC000015735191 568983982 /nfs/dbraw/zinc/98/39/82/568983982.db2.gz JRWLSHAKWNHLRI-UHFFFAOYSA-N 1 0 413.453 3.258 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000008343738 568994081 /nfs/dbraw/zinc/99/40/81/568994081.db2.gz QCTZGXAMRXUDJU-APWZRJJASA-N 1 0 419.447 3.477 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2ccc(CN3CCCC3=O)cc2)[NH+]2CCCC2)cc1 ZINC000008404682 569001183 /nfs/dbraw/zinc/00/11/83/569001183.db2.gz OFKVTVGIMBMYDZ-HSZRJFAPSA-N 1 0 421.541 3.385 50 0 HGAARO COc1cc(CN2CC[N@H+](Cc3c[nH]c4ccccc34)C[C@H]2CCO)cc(OC)c1 ZINC000104327473 569008392 /nfs/dbraw/zinc/00/83/92/569008392.db2.gz SGULMEIZOAKGCK-HXUWFJFHSA-N 1 0 409.530 3.254 50 0 HGAARO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2c3c(c(=O)oc2c1)CCC3 ZINC000085875856 569009516 /nfs/dbraw/zinc/00/95/16/569009516.db2.gz GZKZUSFMHOOODR-FXAWDEMLSA-N 1 0 424.541 3.350 50 0 biogenic HGAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000035268867 569015737 /nfs/dbraw/zinc/01/57/37/569015737.db2.gz VTOQKBDOAOZJRI-UHFFFAOYSA-N 1 0 419.522 3.229 50 0 HGAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000012912268 569021906 /nfs/dbraw/zinc/02/19/06/569021906.db2.gz OVLKRBIZQIAQOJ-QFIPXVFZSA-N 1 0 408.546 3.356 50 0 HGAARO CC[NH+](CC)Cc1ccc(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012919800 569022912 /nfs/dbraw/zinc/02/29/12/569022912.db2.gz JPCVVGGJCBQKAV-UHFFFAOYSA-N 1 0 408.951 3.272 50 0 HGAARO Cc1csc(-c2cc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)c(C)n2C)n1 ZINC000035454810 569037879 /nfs/dbraw/zinc/03/78/79/569037879.db2.gz ULNPFQBFDSIKQP-UHFFFAOYSA-N 1 0 422.620 3.404 50 0 HGAARO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000239425859 569054355 /nfs/dbraw/zinc/05/43/55/569054355.db2.gz VJUALCDTAIBMKL-IRXDYDNUSA-N 1 0 404.580 3.319 50 0 HGAARO CC[N@H+](C)C(C)(C)CNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426386341 569072632 /nfs/dbraw/zinc/07/26/32/569072632.db2.gz NMJGMPWFNYBTAH-UHFFFAOYSA-N 1 0 404.580 3.371 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@@H]3CCCC[N@H+]3C)csc2C1 ZINC000426399005 569072668 /nfs/dbraw/zinc/07/26/68/569072668.db2.gz JSPADKZMLQMGGD-INIZCTEOSA-N 1 0 402.564 3.125 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](C)C[NH+]3CCCC3)csc2C1 ZINC000426712829 569074023 /nfs/dbraw/zinc/07/40/23/569074023.db2.gz VWJIIMTVICKQJD-AWEZNQCLSA-N 1 0 402.564 3.125 50 0 HGAARO COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)NCCC[NH+](C)C)ccc23)cc1 ZINC000006623808 569075309 /nfs/dbraw/zinc/07/53/09/569075309.db2.gz BBYFWIHZNSBIGN-UHFFFAOYSA-N 1 0 424.497 3.224 50 0 biogenic HGAARO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000006637724 569077132 /nfs/dbraw/zinc/07/71/32/569077132.db2.gz JBVDYQDCDCOANA-UHFFFAOYSA-N 1 0 423.579 3.073 50 0 HGAARO Cc1cccc(-c2nc3cnccn3c2NCCC(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000064758911 569090466 /nfs/dbraw/zinc/09/04/66/569090466.db2.gz JKRFZQXXINOADD-UHFFFAOYSA-N 1 0 406.534 3.059 50 0 HGAARO Cc1ccccc1C[N@H+](CCN1CCOCC1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036104406 569092197 /nfs/dbraw/zinc/09/21/97/569092197.db2.gz YFNFKMUFPQVAFT-QFIPXVFZSA-N 1 0 418.965 3.223 50 0 HGAARO COc1cccc(C[N@H+]2CC=C(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1 ZINC000064817992 569101203 /nfs/dbraw/zinc/10/12/03/569101203.db2.gz BPXHOMAEHGELIN-UHFFFAOYSA-N 1 0 409.505 3.315 50 0 HGAARO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)CC ZINC000006730313 569102922 /nfs/dbraw/zinc/10/29/22/569102922.db2.gz WXLZCHOOJRJJCG-KRWDZBQOSA-N 1 0 409.596 3.165 50 0 HGAARO CC(C)C(=O)N(CC[NH+](C)C)Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000006766185 569114563 /nfs/dbraw/zinc/11/45/63/569114563.db2.gz PRZHGCGZPNUIQG-UHFFFAOYSA-N 1 0 422.522 3.140 50 0 HGAARO Cc1ccc(C(=O)N(CC2CC2)C[C@H]2CN(C[C@@H](O)Cc3ccccc3)CCO2)cc1 ZINC000169679319 569126786 /nfs/dbraw/zinc/12/67/86/569126786.db2.gz VWPHGRZTSBAFER-LOSJGSFVSA-N 1 0 422.569 3.152 50 0 HGAARO CCCN(C)c1cc(CC)nc(SCc2ccc(C(=O)NCC[NH+](C)C)cc2)n1 ZINC000006802061 569129613 /nfs/dbraw/zinc/12/96/13/569129613.db2.gz BSCUVGBFTXDSBD-UHFFFAOYSA-N 1 0 415.607 3.469 50 0 HGAARO C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCCCC1 ZINC000006834173 569148611 /nfs/dbraw/zinc/14/86/11/569148611.db2.gz GJJBARNUAQGXCS-UHFFFAOYSA-N 1 0 421.607 3.246 50 0 HGAARO Cc1c(C(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841175 569151863 /nfs/dbraw/zinc/15/18/63/569151863.db2.gz DIPQOZRJLVAZSV-GJZGRUSLSA-N 1 0 416.591 3.486 50 0 HGAARO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023771 569155149 /nfs/dbraw/zinc/15/51/49/569155149.db2.gz QOBINIHYWPZBTG-OAQYLSRUSA-N 1 0 407.562 3.352 50 0 HGAARO Cc1ccc(-c2cc3n(n2)[C@H](NCCC[N@@H+]2CCc4ccccc4C2)CNC3=O)cc1 ZINC000169754492 569161183 /nfs/dbraw/zinc/16/11/83/569161183.db2.gz UGKMAIKMZKGZPJ-DEOSSOPVSA-N 1 0 415.541 3.139 50 0 HGAARO CCCn1c2ccccc2c2cnn(CC(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)c(=O)c21 ZINC000006900169 569176159 /nfs/dbraw/zinc/17/61/59/569176159.db2.gz YCQCXYRWHJBFNP-ROUUACIJSA-N 1 0 423.561 3.140 50 0 HGAARO Cc1oc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)nc1C[S@@](=O)c1ccccc1 ZINC000006941163 569186582 /nfs/dbraw/zinc/18/65/82/569186582.db2.gz TVCZGTZFGLEBEL-LJAQVGFWSA-N 1 0 411.527 3.249 50 0 HGAARO CCCC(=O)Nc1ccc(-n2cnc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2)nc1 ZINC000065197010 569194981 /nfs/dbraw/zinc/19/49/81/569194981.db2.gz JJYYUQBBCIFUCQ-UHFFFAOYSA-N 1 0 424.549 3.096 50 0 HGAARO CCCC[NH+]1CCN(C(=O)c2cc3c(n2C)CCN(Cc2cccc(F)c2)C3)CC1 ZINC000065211120 569196322 /nfs/dbraw/zinc/19/63/22/569196322.db2.gz NLWVYVMOWGEGPP-UHFFFAOYSA-N 1 0 412.553 3.280 50 0 HGAARO CC(C)C[NH+]1CCN(C(=O)c2cc(C(C)C)n3nc(-c4ccccn4)cc3n2)CC1 ZINC000065246160 569205559 /nfs/dbraw/zinc/20/55/59/569205559.db2.gz CCTXLNHIFYDMTE-UHFFFAOYSA-N 1 0 406.534 3.329 50 0 HGAARO COc1cccc(CNC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)c1 ZINC000065256310 569208385 /nfs/dbraw/zinc/20/83/85/569208385.db2.gz GUJJUCRTQPEAPQ-JOCHJYFZSA-N 1 0 402.498 3.171 50 0 HGAARO CCOc1cc(CNC(=O)c2nc(C)n(C3CC[NH+](C)CC3)c2C)ccc1OC ZINC000065257274 569208664 /nfs/dbraw/zinc/20/86/64/569208664.db2.gz UFKIMOQZUWZUMH-UHFFFAOYSA-N 1 0 400.523 3.104 50 0 HGAARO O=C(NCCC[NH+]1CCCC1)[C@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273156 569216026 /nfs/dbraw/zinc/21/60/26/569216026.db2.gz PFPOZMYQQLKNIL-SFHVURJKSA-N 1 0 417.619 3.471 50 0 HGAARO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000170593836 569241339 /nfs/dbraw/zinc/24/13/39/569241339.db2.gz BKLOZQFEVMFPAZ-IAGOWNOFSA-N 1 0 424.545 3.075 50 0 HGAARO CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c12 ZINC000170613411 569246907 /nfs/dbraw/zinc/24/69/07/569246907.db2.gz ZGEOFWSOSHNWQY-OALUTQOASA-N 1 0 412.530 3.423 50 0 HGAARO Cc1nn(C)c(C)c1CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000170619590 569248303 /nfs/dbraw/zinc/24/83/03/569248303.db2.gz CPPBHCCTXOFCRT-OALUTQOASA-N 1 0 409.452 3.433 50 0 HGAARO O=C(CCNC(=O)c1ccc2ccccc2c1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000170627106 569250334 /nfs/dbraw/zinc/25/03/34/569250334.db2.gz AFZZGXFNVSVNPN-UHFFFAOYSA-N 1 0 416.525 3.136 50 0 HGAARO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000252467574 569287125 /nfs/dbraw/zinc/28/71/25/569287125.db2.gz SSNHPGYRRZDWGI-WBVHZDCISA-N 1 0 409.372 3.059 50 0 HGAARO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000002156994 569290392 /nfs/dbraw/zinc/29/03/92/569290392.db2.gz WTNJGYFYMAQZAK-CDNPAEQRSA-N 1 0 402.535 3.081 50 0 HGAARO COc1ccc2cc(C[NH2+][C@H]3CN4CCC3CC4)c(=O)n(Cc3ccccc3F)c2c1 ZINC000023362232 569357661 /nfs/dbraw/zinc/35/76/61/569357661.db2.gz PHXKVHJTNNHRFL-QHCPKHFHSA-N 1 0 421.516 3.381 50 0 HGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000253412117 569366575 /nfs/dbraw/zinc/36/65/75/569366575.db2.gz PYDXUZVLGDPNIJ-PKOBYXMFSA-N 1 0 410.518 3.184 50 0 biogenic HGAARO CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000027676189 569389729 /nfs/dbraw/zinc/38/97/29/569389729.db2.gz ZCDKMYSGXMHQPD-MAUKXSAKSA-N 1 0 409.502 3.200 50 0 HGAARO C[NH+](C)CCn1c2sc3c(c2c(=O)n(CCc2ccccc2)c1=O)CCCCC3 ZINC000002432210 569399289 /nfs/dbraw/zinc/39/92/89/569399289.db2.gz BRJDKJWQJQJTKZ-UHFFFAOYSA-N 1 0 411.571 3.298 50 0 HGAARO C[NH+](C)CCCn1c2sc3c(c2c(=O)n(Cc2ccco2)c1=O)CCCCC3 ZINC000002431081 569399311 /nfs/dbraw/zinc/39/93/11/569399311.db2.gz PAPWCQSIBFKARS-UHFFFAOYSA-N 1 0 401.532 3.087 50 0 HGAARO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000078950285 569422092 /nfs/dbraw/zinc/42/20/92/569422092.db2.gz RCMRYSJGVGIADW-RBUKOAKNSA-N 1 0 401.551 3.387 50 0 HGAARO COCCN(CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000079024591 569424678 /nfs/dbraw/zinc/42/46/78/569424678.db2.gz VBXPKKYANUBTPK-ICSRJNTNSA-N 1 0 419.566 3.039 50 0 HGAARO Cc1ccc(C)c(-n2cc(CN3CC[NH+](CCC(N)=O)CC3)c(-c3ccccc3)n2)c1 ZINC000019606620 569425029 /nfs/dbraw/zinc/42/50/29/569425029.db2.gz YPLFUTKULBUCQC-UHFFFAOYSA-N 1 0 417.557 3.149 50 0 HGAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)OCCO2 ZINC000008734757 571109733 /nfs/dbraw/zinc/10/97/33/571109733.db2.gz LEPFDVGPJZFAHB-HSZRJFAPSA-N 1 0 423.513 3.275 50 0 HGAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCCN(c2cnccn2)C1 ZINC000040063312 571147972 /nfs/dbraw/zinc/14/79/72/571147972.db2.gz LZLJJZFGRVTUKL-YLJYHZDGSA-N 1 0 413.953 3.300 50 0 HGAARO C[NH+](C)Cc1ccc(CNC(=O)c2cn(-c3cccc(Br)c3)nn2)cc1 ZINC000040086568 571157089 /nfs/dbraw/zinc/15/70/89/571157089.db2.gz WGOKSGVUZBJEBE-UHFFFAOYSA-N 1 0 414.307 3.021 50 0 HGAARO Cc1ccc2ncc(C(=O)NCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)c(=O)n2c1 ZINC000040108832 571168371 /nfs/dbraw/zinc/16/83/71/571168371.db2.gz NIXQNUAGQAAUDL-QGZVFWFLSA-N 1 0 404.514 3.165 50 0 HGAARO Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc2)c1 ZINC000069043070 571175912 /nfs/dbraw/zinc/17/59/12/571175912.db2.gz IXNWQFNMUJOMFW-UHFFFAOYSA-N 1 0 418.559 3.389 50 0 HGAARO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CN1C(=O)COc2ccccc21 ZINC000040142733 571193608 /nfs/dbraw/zinc/19/36/08/571193608.db2.gz JQEZXAOGLWLDDD-JOCHJYFZSA-N 1 0 421.541 3.001 50 0 HGAARO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000040150161 571198526 /nfs/dbraw/zinc/19/85/26/571198526.db2.gz DZHRWUIHGMFSLB-UHFFFAOYSA-N 1 0 407.986 3.356 50 0 HGAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(-c4ccccc4)s3)cn2)CC1 ZINC000040151644 571199643 /nfs/dbraw/zinc/19/96/43/571199643.db2.gz IWKQASXYLJBFAV-UHFFFAOYSA-N 1 0 407.543 3.277 50 0 HGAARO C[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245330414 571225405 /nfs/dbraw/zinc/22/54/05/571225405.db2.gz YJMIRHVDCFQELY-DYESRHJHSA-N 1 0 414.571 3.346 50 0 HGAARO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccccc21 ZINC000009281898 571244739 /nfs/dbraw/zinc/24/47/39/571244739.db2.gz VOPLWFGSMDFFHN-QYUDBREXSA-N 1 0 421.884 3.080 50 0 HGAARO CCOc1cccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000009328349 571248457 /nfs/dbraw/zinc/24/84/57/571248457.db2.gz KSRLFTLCGFZYDI-NRFANRHFSA-N 1 0 422.481 3.307 50 0 HGAARO Cc1c(C(=O)NCc2ccccc2)nnn1-c1cccc2c1CC[N@H+](CC1CC1)C2 ZINC000069902465 571248997 /nfs/dbraw/zinc/24/89/97/571248997.db2.gz XTNQTCCFGCPJEG-UHFFFAOYSA-N 1 0 401.514 3.274 50 0 HGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1cccc(N2CCNC2=O)c1 ZINC000070011270 571253839 /nfs/dbraw/zinc/25/38/39/571253839.db2.gz MDCSPEDBJXNEBY-LJQANCHMSA-N 1 0 407.518 3.250 50 0 HGAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)C1 ZINC000009738125 571283136 /nfs/dbraw/zinc/28/31/36/571283136.db2.gz JYVRHMCWNCYLNC-INIZCTEOSA-N 1 0 403.548 3.082 50 0 HGAARO COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)c1 ZINC000010333455 571300452 /nfs/dbraw/zinc/30/04/52/571300452.db2.gz JOBMVZHNTCAUQV-NRFANRHFSA-N 1 0 421.497 3.215 50 0 HGAARO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000004347351 132275841 /nfs/dbraw/zinc/27/58/41/132275841.db2.gz GKKRATPPTSSGHM-UHFFFAOYSA-N 1 0 410.337 3.002 50 0 HGAARO O=C(Nc1cccc(N2CCC([NH2+]Cc3cnn(-c4ccccc4)n3)CC2)c1)C1CC1 ZINC000012243115 132357742 /nfs/dbraw/zinc/35/77/42/132357742.db2.gz GOWYIKURJCQQFE-UHFFFAOYSA-N 1 0 416.529 3.374 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)Nc3cccc(C)c3)c(C)c2)CC1 ZINC000031522605 132498559 /nfs/dbraw/zinc/49/85/59/132498559.db2.gz YUDBXGLVXRPIRI-UHFFFAOYSA-N 1 0 409.534 3.206 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)C1CCCCC1 ZINC000041642192 522009882 /nfs/dbraw/zinc/00/98/82/522009882.db2.gz PQEIPINNSBALMH-INIZCTEOSA-N 1 0 414.319 3.153 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)C1CCCCC1 ZINC000040104759 522019901 /nfs/dbraw/zinc/01/99/01/522019901.db2.gz SIULCVZBHXJITK-VQTJNVASSA-N 1 0 402.539 3.436 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(F)cc1 ZINC000032622655 522022794 /nfs/dbraw/zinc/02/27/94/522022794.db2.gz IOXVBDGPCMJIKY-SFHVURJKSA-N 1 0 411.433 3.285 50 0 HGAARO CN(C(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000040355534 523962683 /nfs/dbraw/zinc/96/26/83/523962683.db2.gz VGIAORWGMIEYHZ-LLVKDONJSA-N 1 0 413.330 3.478 50 0 HGAARO COc1cccc([C@@H](CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[NH+](C)C)c1 ZINC000041950318 524095298 /nfs/dbraw/zinc/09/52/98/524095298.db2.gz LFQWHDCOMMFZTH-PKOBYXMFSA-N 1 0 405.539 3.061 50 0 HGAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCn3c4ccccc4oc3=O)CC2)cc1 ZINC000045767086 524444975 /nfs/dbraw/zinc/44/49/75/524444975.db2.gz MADIQBJLEJUHFL-UHFFFAOYSA-N 1 0 407.514 3.418 50 0 HGAARO Cc1cc(C[NH+]2CCC(CNC(=O)C(=O)NCCC3=CCCCC3)CC2)c(C)o1 ZINC000043941097 524673256 /nfs/dbraw/zinc/67/32/56/524673256.db2.gz JWNOHCPQHUNIKI-UHFFFAOYSA-N 1 0 401.551 3.231 50 0 HGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(CN2CCOCC2)c1 ZINC000032109685 525483777 /nfs/dbraw/zinc/48/37/77/525483777.db2.gz ZXRHRWZKTXHWBS-HSZRJFAPSA-N 1 0 407.514 3.252 50 0 biogenic HGAARO O=C(NCc1ccccn1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034684069 557386996 /nfs/dbraw/zinc/38/69/96/557386996.db2.gz MTGMQPMAZKMUPJ-UHFFFAOYSA-N 1 0 400.526 3.329 50 0 HGAARO O=C(Cc1ccccc1)N1C[C@H](C(=O)NCC[NH+]2CCCC2)C[C@@H](c2ccccc2)C1 ZINC000034738226 557447660 /nfs/dbraw/zinc/44/76/60/557447660.db2.gz SEDHYZBJEMBNIK-DNQXCXABSA-N 1 0 419.569 3.073 50 0 HGAARO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)c2ccsc2)CC1 ZINC000022767119 557815075 /nfs/dbraw/zinc/81/50/75/557815075.db2.gz CMQRJUUBADRIGU-NRFANRHFSA-N 1 0 415.584 3.168 50 0 HGAARO C[NH+]1CCN([C@H](CNC(=O)c2ccccc2Br)c2ccc(F)cc2)CC1 ZINC000022794682 557822088 /nfs/dbraw/zinc/82/20/88/557822088.db2.gz PZKDZMNXMNVFAC-LJQANCHMSA-N 1 0 420.326 3.307 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010086924 557854918 /nfs/dbraw/zinc/85/49/18/557854918.db2.gz GUMJHRBOCHTCTL-UHFFFAOYSA-N 1 0 401.532 3.093 50 0 HGAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000022912945 558258545 /nfs/dbraw/zinc/25/85/45/558258545.db2.gz BUTOPUCPVGTAQO-QFIPXVFZSA-N 1 0 407.558 3.417 50 0 HGAARO CCOc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc1 ZINC000019744607 558265174 /nfs/dbraw/zinc/26/51/74/558265174.db2.gz ZNHDCOVQXPGFBY-MRXNPFEDSA-N 1 0 423.517 3.128 50 0 HGAARO Cn1ccc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccc(Cl)cc4)CC3)O2)n1 ZINC000011814236 558278439 /nfs/dbraw/zinc/27/84/39/558278439.db2.gz SITKMRNIQRCOCK-SFHVURJKSA-N 1 0 402.926 3.017 50 0 HGAARO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)C3CCCC3)CC2)c(Cl)c1 ZINC000011839168 558286003 /nfs/dbraw/zinc/28/60/03/558286003.db2.gz JAVRKNMEGYABIJ-UHFFFAOYSA-N 1 0 421.969 3.191 50 0 HGAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1 ZINC000019809533 558286402 /nfs/dbraw/zinc/28/64/02/558286402.db2.gz XXQYOOUUADMGGO-QGZVFWFLSA-N 1 0 408.376 3.406 50 0 HGAARO COc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1Cn1cncn1 ZINC000011843328 558288162 /nfs/dbraw/zinc/28/81/62/558288162.db2.gz IPMGMRFWCUYKHZ-XMMPIXPASA-N 1 0 424.520 3.291 50 0 HGAARO O=C([C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019840367 558294001 /nfs/dbraw/zinc/29/40/01/558294001.db2.gz RXRPZAYGQKIVHF-HXUWFJFHSA-N 1 0 415.553 3.084 50 0 HGAARO CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCc3nnc(CNC(=O)c4ccccc4)n3CC1)=CC2 ZINC000011909331 558296408 /nfs/dbraw/zinc/29/64/08/558296408.db2.gz CDEORXGWODWZNO-PMACEKPBSA-N 1 0 405.546 3.059 50 0 HGAARO CCn1cc(CNC(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)cn1 ZINC000011933891 558298329 /nfs/dbraw/zinc/29/83/29/558298329.db2.gz PBAYHIJDQJDJQT-UHFFFAOYSA-N 1 0 400.523 3.093 50 0 HGAARO O=C(CCN1CCCO1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011938075 558301598 /nfs/dbraw/zinc/30/15/98/558301598.db2.gz DJPPJKGUZDXOPT-QFIPXVFZSA-N 1 0 414.594 3.482 50 0 HGAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccnn1C ZINC000011958500 558303844 /nfs/dbraw/zinc/30/38/44/558303844.db2.gz OHVONRIIJJXLOI-QGZVFWFLSA-N 1 0 408.468 3.466 50 0 HGAARO COc1ccc(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2C1CC[NH+](Cc2ccccc2)CC1 ZINC000011999672 558307885 /nfs/dbraw/zinc/30/78/85/558307885.db2.gz OSICZSYQCUQCBE-GMAHTHKFSA-N 1 0 405.542 3.458 50 0 HGAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc[n+]([O-])cc1 ZINC000012005154 558309002 /nfs/dbraw/zinc/30/90/02/558309002.db2.gz DXLSWKOPJDJFKF-SFHVURJKSA-N 1 0 421.463 3.366 50 0 HGAARO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)c(C)o2)cc1 ZINC000012053418 558314937 /nfs/dbraw/zinc/31/49/37/558314937.db2.gz LAMNGUPKQHCRQN-UHFFFAOYSA-N 1 0 411.502 3.271 50 0 HGAARO O=C(CCC1CC[NH+](Cc2cccn2-c2nccs2)CC1)NC[C@@H]1CCCO1 ZINC000012072314 558317487 /nfs/dbraw/zinc/31/74/87/558317487.db2.gz VLTXCCAFSUTDEI-IBGZPJMESA-N 1 0 402.564 3.221 50 0 HGAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)O1)c1ccco1 ZINC000012200224 558351075 /nfs/dbraw/zinc/35/10/75/558351075.db2.gz ZLOIREJYOHGBGO-IBGZPJMESA-N 1 0 421.497 3.065 50 0 HGAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2nc3ccccc3n2C)c1 ZINC000012240771 558360431 /nfs/dbraw/zinc/36/04/31/558360431.db2.gz IYWMMJOVYALKKK-LJQANCHMSA-N 1 0 406.530 3.295 50 0 HGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CN(C)Cc3cccnc3)C2)cc1 ZINC000012298763 558368696 /nfs/dbraw/zinc/36/86/96/558368696.db2.gz QYLDHOQFEWOSEW-DEOSSOPVSA-N 1 0 408.590 3.493 50 0 HGAARO O=C(c1cnc2ccccn2c1=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012302719 558372319 /nfs/dbraw/zinc/37/23/19/558372319.db2.gz HIXLVIPWMXJFGU-DEOSSOPVSA-N 1 0 408.546 3.203 50 0 HGAARO COCC1CCN(C(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000012385779 558394844 /nfs/dbraw/zinc/39/48/44/558394844.db2.gz GMTLTAAPZKOFIP-UHFFFAOYSA-N 1 0 404.551 3.445 50 0 HGAARO Cc1cccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)c1 ZINC000020780735 558412871 /nfs/dbraw/zinc/41/28/71/558412871.db2.gz MTTDZHVUJKFOJC-FQEVSTJZSA-N 1 0 417.557 3.455 50 0 HGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CN(C)Cc3ccncc3)C2)cc1 ZINC000012449309 558415910 /nfs/dbraw/zinc/41/59/10/558415910.db2.gz PEKRERLKFYTKKO-DEOSSOPVSA-N 1 0 408.590 3.493 50 0 HGAARO C[NH+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)NCCc1cccc(F)c1 ZINC000012451887 558416112 /nfs/dbraw/zinc/41/61/12/558416112.db2.gz SXDYRHJBWBPHBT-UHFFFAOYSA-N 1 0 408.477 3.082 50 0 HGAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C2CC2)C1 ZINC000012453579 558416382 /nfs/dbraw/zinc/41/63/82/558416382.db2.gz GORYQZVAPVECNA-KRWDZBQOSA-N 1 0 420.517 3.356 50 0 HGAARO CN(Cc1ccon1)C(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000012581648 558432651 /nfs/dbraw/zinc/43/26/51/558432651.db2.gz RWRLDKLQBJUOTM-UHFFFAOYSA-N 1 0 423.517 3.155 50 0 HGAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](CCCn3cccn3)C2)c(OC)c1 ZINC000012589694 558435355 /nfs/dbraw/zinc/43/53/55/558435355.db2.gz KIJRJTCGSKMUFB-LJQANCHMSA-N 1 0 414.550 3.099 50 0 HGAARO COc1cc(C(=O)N2CCC[C@@H](O)C2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012612556 558438953 /nfs/dbraw/zinc/43/89/53/558438953.db2.gz UPBSVGXZZJGWHG-LJQANCHMSA-N 1 0 402.535 3.078 50 0 HGAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(N4CCNC4=O)cc3)C2)cc1F ZINC000012703508 558448716 /nfs/dbraw/zinc/44/87/16/558448716.db2.gz OWUGTWDWTSEWLJ-SFHVURJKSA-N 1 0 411.477 3.459 50 0 HGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)Cc3cccs3)C2)cc1OC ZINC000012709117 558451312 /nfs/dbraw/zinc/45/13/12/558451312.db2.gz HPDYLRGGIBCXNU-GOSISDBHSA-N 1 0 402.560 3.473 50 0 HGAARO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012715959 558455214 /nfs/dbraw/zinc/45/52/14/558455214.db2.gz UFVCLZLCMWWMQO-QGZVFWFLSA-N 1 0 408.502 3.418 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012749661 558458821 /nfs/dbraw/zinc/45/88/21/558458821.db2.gz ALCCZILZIWSCCI-UHFFFAOYSA-N 1 0 424.541 3.082 50 0 HGAARO O=C(C1CC[NH+](Cc2ccccn2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000005428191 558466464 /nfs/dbraw/zinc/46/64/64/558466464.db2.gz DEVSKIQJHXQKDJ-RMKNXTFCSA-N 1 0 404.558 3.151 50 0 HGAARO C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CC[NH+](Cc3cccc4ccccc43)CC1)C2=O ZINC000022775552 558509418 /nfs/dbraw/zinc/50/94/18/558509418.db2.gz QKBZUDWIOHERIE-KBMIEXCESA-N 1 0 420.557 3.416 50 0 HGAARO c1ccc(-c2noc(CCC[NH+]3CCN(Cc4ccc5c(c4)CCO5)CC3)n2)cc1 ZINC000022807032 558513748 /nfs/dbraw/zinc/51/37/48/558513748.db2.gz WVQJFHSPPZMSSY-UHFFFAOYSA-N 1 0 404.514 3.422 50 0 HGAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1cccc(Br)c1 ZINC000022912446 558519730 /nfs/dbraw/zinc/51/97/30/558519730.db2.gz RNBGQLNRMJKTIH-UHFFFAOYSA-N 1 0 402.336 3.248 50 0 HGAARO COc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)c(Cl)c1OC ZINC000022929182 558523442 /nfs/dbraw/zinc/52/34/42/558523442.db2.gz HMSXLMHQGGIWNW-FQEVSTJZSA-N 1 0 418.965 3.469 50 0 HGAARO CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)C(C)C)cc1 ZINC000023238399 558544776 /nfs/dbraw/zinc/54/47/76/558544776.db2.gz AIOGJFNBFFFSMM-UYAOXDASSA-N 1 0 417.575 3.320 50 0 HGAARO CCOC(=O)[C@@H]1CCCN(C2CC[NH+]([C@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000023505907 558560099 /nfs/dbraw/zinc/56/00/99/558560099.db2.gz UONLGUZLAWTBBK-RTWAWAEBSA-N 1 0 421.626 3.153 50 0 HGAARO COc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCc1cccc(Cl)c1 ZINC000013946000 558607147 /nfs/dbraw/zinc/60/71/47/558607147.db2.gz XZBYBPMTJIORQF-UHFFFAOYSA-N 1 0 419.938 3.333 50 0 HGAARO COc1ccc(-c2cc3ccc(OCCN4CC[NH+](C)CC4)cc3oc2=O)cc1OC ZINC000022933416 558616086 /nfs/dbraw/zinc/61/60/86/558616086.db2.gz ZEFURBLHJBNZJS-UHFFFAOYSA-N 1 0 424.497 3.103 50 0 HGAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](C1CCOCC1)CC2 ZINC000014537402 558658745 /nfs/dbraw/zinc/65/87/45/558658745.db2.gz FCCVRMSSBVMJAG-UHFFFAOYSA-N 1 0 407.514 3.247 50 0 HGAARO CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)o1 ZINC000014542214 558660447 /nfs/dbraw/zinc/66/04/47/558660447.db2.gz YCDPUECVUOKLHF-UHFFFAOYSA-N 1 0 410.518 3.098 50 0 HGAARO CN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1c(F)cccc1Cl)CC2 ZINC000014732310 558665762 /nfs/dbraw/zinc/66/57/62/558665762.db2.gz HKIGOMSNRYSSHR-UHFFFAOYSA-N 1 0 416.884 3.303 50 0 HGAARO CCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000022936115 558666499 /nfs/dbraw/zinc/66/64/99/558666499.db2.gz PDVBHYDRAIIBFC-UHFFFAOYSA-N 1 0 407.518 3.065 50 0 HGAARO Cc1nn(CC(C)C)c(C)c1CCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000027502328 558673748 /nfs/dbraw/zinc/67/37/48/558673748.db2.gz UJJRYYBQLDINBK-UHFFFAOYSA-N 1 0 404.599 3.240 50 0 HGAARO CN(C(=O)CC1=CSC2=NCCCN12)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014948998 558680495 /nfs/dbraw/zinc/68/04/95/558680495.db2.gz MQYSHPASJSINML-LJQANCHMSA-N 1 0 410.587 3.117 50 0 HGAARO CN(C(=O)CC1=CSC2=NCCCN12)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014949001 558680511 /nfs/dbraw/zinc/68/05/11/558680511.db2.gz MQYSHPASJSINML-IBGZPJMESA-N 1 0 410.587 3.117 50 0 HGAARO Cc1cccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1C ZINC000027793272 558682709 /nfs/dbraw/zinc/68/27/09/558682709.db2.gz JQFSPRWYTLCTQD-NRFANRHFSA-N 1 0 415.965 3.441 50 0 HGAARO Cc1cccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1 ZINC000028287969 558695177 /nfs/dbraw/zinc/69/51/77/558695177.db2.gz MEZSLOYFRVJPKJ-NRFANRHFSA-N 1 0 401.938 3.132 50 0 HGAARO CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000015001195 558697893 /nfs/dbraw/zinc/69/78/93/558697893.db2.gz UMUCXALRBKTDNB-KRWDZBQOSA-N 1 0 407.518 3.430 50 0 HGAARO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)[nH]n1 ZINC000015064962 558707867 /nfs/dbraw/zinc/70/78/67/558707867.db2.gz YNVNVXZNRZSITG-SFHVURJKSA-N 1 0 421.467 3.164 50 0 HGAARO COc1cc(CNCc2cc(C(C)C)no2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015070563 558712495 /nfs/dbraw/zinc/71/24/95/558712495.db2.gz CXKCRSYXFAKIBL-SFHVURJKSA-N 1 0 405.539 3.176 50 0 HGAARO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccccc21 ZINC000016000138 558765983 /nfs/dbraw/zinc/76/59/83/558765983.db2.gz QYKFPSKFNDXJHN-YWNPBTLJSA-N 1 0 421.884 3.080 50 0 HGAARO CC(C)OCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035421959 558791392 /nfs/dbraw/zinc/79/13/92/558791392.db2.gz RPJYGUWZYKIUTL-UHFFFAOYSA-N 1 0 417.594 3.063 50 0 HGAARO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CCC(=O)N[C@@H](c1cccnc1)C(F)(F)F)C2 ZINC000039360113 558820452 /nfs/dbraw/zinc/82/04/52/558820452.db2.gz SWSFBZLAUUIQPF-XOBRGWDASA-N 1 0 423.435 3.483 50 0 HGAARO Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCCCC3)c2)s1 ZINC000033022601 558837835 /nfs/dbraw/zinc/83/78/35/558837835.db2.gz WESQRIZEEQMKNY-UHFFFAOYSA-N 1 0 401.536 3.095 50 0 HGAARO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCCCC3)CC2)c(C)c1C ZINC000033024413 558841760 /nfs/dbraw/zinc/84/17/60/558841760.db2.gz BVJUQPRGSCAVJZ-UHFFFAOYSA-N 1 0 402.583 3.174 50 0 HGAARO CCCCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000033026551 558847839 /nfs/dbraw/zinc/84/78/39/558847839.db2.gz PRWLRZUBARTIDH-SFHVURJKSA-N 1 0 403.548 3.076 50 0 HGAARO CCN1CC[NH+](C2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000019885504 558852530 /nfs/dbraw/zinc/85/25/30/558852530.db2.gz BODMOCLWYAYDCG-UHFFFAOYSA-N 1 0 407.558 3.361 50 0 in-vitro HGAARO CCc1cc2c(ncnc2N2CCC(C(=O)NCC[NH+]3CCC(C)CC3)CC2)s1 ZINC000033078239 558867674 /nfs/dbraw/zinc/86/76/74/558867674.db2.gz CXRNOAXCRLWBRM-UHFFFAOYSA-N 1 0 415.607 3.318 50 0 HGAARO CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1c[nH]cn1)CC2 ZINC000055073963 558871513 /nfs/dbraw/zinc/87/15/13/558871513.db2.gz WXCBDDYWEHOCCP-RTWAWAEBSA-N 1 0 406.486 3.036 50 0 HGAARO Cc1sc2nc(CCC(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)[nH]c(=O)c2c1C ZINC000058023502 558896063 /nfs/dbraw/zinc/89/60/63/558896063.db2.gz KYZISGOJBPEHSY-GJZGRUSLSA-N 1 0 418.607 3.408 50 0 HGAARO COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000058168177 558907668 /nfs/dbraw/zinc/90/76/68/558907668.db2.gz NWHWOQCPHJGJFU-UHFFFAOYSA-N 1 0 402.539 3.459 50 0 HGAARO CCOC(=O)N1CCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000019530611 558911457 /nfs/dbraw/zinc/91/14/57/558911457.db2.gz KFKSNAFAOIGHOI-UHFFFAOYSA-N 1 0 407.514 3.159 50 0 HGAARO COc1ccc(OC)c(S(=O)(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c1 ZINC000058265098 558915635 /nfs/dbraw/zinc/91/56/35/558915635.db2.gz DZSARUNBRAYAHY-UHFFFAOYSA-N 1 0 418.559 3.414 50 0 HGAARO CCn1cnnc1-c1cccc(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000058265359 558915642 /nfs/dbraw/zinc/91/56/42/558915642.db2.gz ZCQULNFZEGIWIU-FQEVSTJZSA-N 1 0 408.506 3.398 50 0 HGAARO COc1ccc(NC(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000058268945 558916042 /nfs/dbraw/zinc/91/60/42/558916042.db2.gz CHJKYUKYUUWCNN-GUYCJALGSA-N 1 0 401.429 3.336 50 0 HGAARO O=C(NCC[NH+]1CCCCC1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000058412569 558925107 /nfs/dbraw/zinc/92/51/07/558925107.db2.gz QWPSUPOANKZLBC-INIZCTEOSA-N 1 0 409.372 3.061 50 0 HGAARO COc1ccc(NC(=O)[C@H](C)[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000060091007 558940713 /nfs/dbraw/zinc/94/07/13/558940713.db2.gz NWGNSTNWUDRDGU-INIZCTEOSA-N 1 0 412.486 3.089 50 0 HGAARO COc1ccc(NC(=O)[C@@H](C)[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000060091009 558940826 /nfs/dbraw/zinc/94/08/26/558940826.db2.gz NWGNSTNWUDRDGU-MRXNPFEDSA-N 1 0 412.486 3.089 50 0 HGAARO Cc1cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799781 558965467 /nfs/dbraw/zinc/96/54/67/558965467.db2.gz BCZDBLICFRNCSJ-UHFFFAOYSA-N 1 0 401.461 3.016 50 0 HGAARO COc1ccccc1NC(=O)N1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)CC1 ZINC000064800121 558965825 /nfs/dbraw/zinc/96/58/25/558965825.db2.gz HDEMUJSRIMTDQI-UHFFFAOYSA-N 1 0 410.522 3.138 50 0 HGAARO CCNc1cc(N2CCN(C(=O)Nc3ccc(OC)c(Cl)c3)CC2)nc(C)[nH+]1 ZINC000067612790 558989007 /nfs/dbraw/zinc/98/90/07/558989007.db2.gz BLGYJZQVEZQQRJ-UHFFFAOYSA-N 1 0 404.902 3.233 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022454334 558995129 /nfs/dbraw/zinc/99/51/29/558995129.db2.gz MAJIMOBMGHQQSS-VEMNPONZSA-N 1 0 410.558 3.094 50 0 biogenic HGAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1Cc2ccccc2C1 ZINC000082097163 559037456 /nfs/dbraw/zinc/03/74/56/559037456.db2.gz AVSNENJAHNVGCA-QHCPKHFHSA-N 1 0 404.558 3.300 50 0 HGAARO Cc1ccsc1CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082099584 559037929 /nfs/dbraw/zinc/03/79/29/559037929.db2.gz XEYFGXJMIIGUHK-IBGZPJMESA-N 1 0 412.603 3.444 50 0 HGAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1Cc2ccccc2C1 ZINC000082109680 559038884 /nfs/dbraw/zinc/03/88/84/559038884.db2.gz YDHKVHAIYBGNIQ-QHCPKHFHSA-N 1 0 404.558 3.300 50 0 HGAARO Cc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)o1 ZINC000082138708 559040591 /nfs/dbraw/zinc/04/05/91/559040591.db2.gz HKMGSKQSHLGATB-OAQYLSRUSA-N 1 0 410.562 3.018 50 0 HGAARO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnc(-c2cccs2)[nH]c1=O ZINC000091769615 559073552 /nfs/dbraw/zinc/07/35/52/559073552.db2.gz YIHPRPMJGBZZBH-CYBMUJFWSA-N 1 0 400.529 3.367 50 0 HGAARO COC(=O)N1CCCC[C@H]1C(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000095507880 559083374 /nfs/dbraw/zinc/08/33/74/559083374.db2.gz BDRIUILKGJPETR-NRFANRHFSA-N 1 0 401.551 3.020 50 0 HGAARO CCc1ncc(CN(CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000095530115 559086724 /nfs/dbraw/zinc/08/67/24/559086724.db2.gz PGRJYRMWPHMSDM-FQEVSTJZSA-N 1 0 408.590 3.367 50 0 HGAARO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000247809937 559119265 /nfs/dbraw/zinc/11/92/65/559119265.db2.gz BXXHLOUIOGUWCB-YRXWBPOGSA-N 1 0 408.841 3.028 50 0 HGAARO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000247809935 559119291 /nfs/dbraw/zinc/11/92/91/559119291.db2.gz BXXHLOUIOGUWCB-RDGPPVDQSA-N 1 0 408.841 3.028 50 0 HGAARO COc1cc(Br)c(CNC[C@H]2CN(Cc3ccccc3)CCO2)cc1O ZINC000014157535 559154151 /nfs/dbraw/zinc/15/41/51/559154151.db2.gz DLQWLZYFWFVULA-KRWDZBQOSA-N 1 0 421.335 3.154 50 0 HGAARO COc1ccc(-c2noc(CCC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000004933191 559210876 /nfs/dbraw/zinc/21/08/76/559210876.db2.gz NJSAXOHCYOGNPG-IAGOWNOFSA-N 1 0 400.523 3.162 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc3c(c4ccccc4n(C)c3=O)n2C)C1 ZINC000004938785 559211586 /nfs/dbraw/zinc/21/15/86/559211586.db2.gz HCJPMRVAHBDYKB-IRXDYDNUSA-N 1 0 408.546 3.128 50 0 HGAARO CC[NH+](CC)C[C@H](O)COc1cc(CN(C)Cc2csc(C)n2)ccc1OC ZINC000011705976 559233012 /nfs/dbraw/zinc/23/30/12/559233012.db2.gz HQBAADVNHOXDKC-IBGZPJMESA-N 1 0 407.580 3.174 50 0 HGAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[N@@H+]1CCC[C@H](C)C1 ZINC000005055129 559237577 /nfs/dbraw/zinc/23/75/77/559237577.db2.gz JRQSZHXFPGPARL-AWEZNQCLSA-N 1 0 417.506 3.422 50 0 HGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12 ZINC000005067714 559240165 /nfs/dbraw/zinc/24/01/65/559240165.db2.gz XWRFYPXSZXZJPL-IBGZPJMESA-N 1 0 413.562 3.468 50 0 HGAARO Cc1oc2c(c1C(=O)NCC1CC[NH+](Cc3cccc(C)c3)CC1)C1=NCCN1C=N2 ZINC000100696270 559257274 /nfs/dbraw/zinc/25/72/74/559257274.db2.gz ZODFMFVSZQCQNH-UHFFFAOYSA-N 1 0 419.529 3.274 50 0 HGAARO Cn1cnnc1Sc1ccc(C[NH+]2CCC(CCC(=O)N3CCCC3)CC2)o1 ZINC000011839952 559261521 /nfs/dbraw/zinc/26/15/21/559261521.db2.gz QACFOXLNOFJQEC-UHFFFAOYSA-N 1 0 403.552 3.174 50 0 HGAARO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)s1 ZINC000012789592 560786610 /nfs/dbraw/zinc/78/66/10/560786610.db2.gz GTKZUSHXFFNSHA-UHFFFAOYSA-N 1 0 415.378 3.454 50 0 HGAARO FC(F)(F)c1nnc2ccc(N3CC[NH+](Cc4cccc5cccnc54)CC3)nn21 ZINC000014813674 560852835 /nfs/dbraw/zinc/85/28/35/560852835.db2.gz VACYYMBZISOBHO-UHFFFAOYSA-N 1 0 413.407 3.014 50 0 HGAARO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000106535485 560892186 /nfs/dbraw/zinc/89/21/86/560892186.db2.gz QYKFPSKFNDXJHN-LVBDUCALSA-N 1 0 421.884 3.080 50 0 HGAARO O=C(Nc1cccc(OC(F)F)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000107148811 560895381 /nfs/dbraw/zinc/89/53/81/560895381.db2.gz SJZWHCIWHXUESG-APWZRJJASA-N 1 0 405.445 3.293 50 0 HGAARO Cn1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2nc1CC[NH+]1CCCC1 ZINC000005207835 568417414 /nfs/dbraw/zinc/41/74/14/568417414.db2.gz JEFVHBBKZPISTA-UHFFFAOYSA-N 1 0 402.495 3.152 50 0 HGAARO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)c2)c1 ZINC000048274827 568435501 /nfs/dbraw/zinc/43/55/01/568435501.db2.gz CWTQTXBSHUKIMA-LJQANCHMSA-N 1 0 413.543 3.071 50 0 HGAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1 ZINC000048365919 568441953 /nfs/dbraw/zinc/44/19/53/568441953.db2.gz VWQMARBCZAMYHM-UHFFFAOYSA-N 1 0 418.563 3.147 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(I)cc1)c1cccs1 ZINC000025608082 568530544 /nfs/dbraw/zinc/53/05/44/568530544.db2.gz JFKRFUSPIWQCEV-ZDUSSCGKSA-N 1 0 400.285 3.385 50 0 HGAARO C[C@H]1C[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000095408976 568606575 /nfs/dbraw/zinc/60/65/75/568606575.db2.gz RIQLCABSCOHFIC-PZJWPPBQSA-N 1 0 421.541 3.362 50 0 HGAARO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000095444376 568611395 /nfs/dbraw/zinc/61/13/95/568611395.db2.gz VCYKWBJRYYCPME-LZQZEXGQSA-N 1 0 407.352 3.345 50 0 HGAARO Cc1nnc2c(NCCC[NH+]3CCN(Cc4ccccc4)CC3)nc3ccccc3n12 ZINC000020488585 568613755 /nfs/dbraw/zinc/61/37/55/568613755.db2.gz PMSIIGNEIUZFEK-UHFFFAOYSA-N 1 0 415.545 3.206 50 0 HGAARO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000020611323 568637225 /nfs/dbraw/zinc/63/72/25/568637225.db2.gz NXZSRMPTWNKCNO-PBQROFAYSA-N 1 0 415.493 3.043 50 0 biogenic HGAARO Cc1cc(C)c(NC(=S)N2CCC([N@H+](C)CCN3CCOCC3)CC2)c(C)c1 ZINC000020733986 568641137 /nfs/dbraw/zinc/64/11/37/568641137.db2.gz KNNRGEDANGIUDS-UHFFFAOYSA-N 1 0 404.624 3.037 50 0 HGAARO CCC[NH+]1CCN(C(=O)c2ccc(C)c(NC(=O)C3=C(C)OCCS3)c2)CC1 ZINC000020919260 568650864 /nfs/dbraw/zinc/65/08/64/568650864.db2.gz WZPGPNBMJSJKMA-UHFFFAOYSA-N 1 0 403.548 3.096 50 0 HGAARO COc1cccc(-c2noc(NCCCN3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000020996853 568657101 /nfs/dbraw/zinc/65/71/01/568657101.db2.gz QDVTVGURLHGKIN-UHFFFAOYSA-N 1 0 407.518 3.365 50 0 HGAARO Cc1cc2nc(C)c(CCC(=O)N3CCC4(C[C@@H]4C[NH+]4CCCC4)CC3)c(C)n2n1 ZINC000095982775 568675664 /nfs/dbraw/zinc/67/56/64/568675664.db2.gz PEOYGDQBNUUCKV-HXUWFJFHSA-N 1 0 409.578 3.312 50 0 HGAARO CCCCSc1ccccc1N1CC[NH+](CCCCN2C(=O)CNC2=O)CC1 ZINC000096027652 568686645 /nfs/dbraw/zinc/68/66/45/568686645.db2.gz VFNHSTKBMRIRLD-UHFFFAOYSA-N 1 0 404.580 3.033 50 0 HGAARO O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCCN12)c1ccc(Cl)cc1 ZINC000229886035 568715836 /nfs/dbraw/zinc/71/58/36/568715836.db2.gz UPVXRZXAZJOAQF-HCXYKTFWSA-N 1 0 412.848 3.314 50 0 HGAARO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000021582664 568719860 /nfs/dbraw/zinc/71/98/60/568719860.db2.gz MGJMOSOSEXRDQM-DLBZAZTESA-N 1 0 404.580 3.496 50 0 HGAARO CCOC(=O)Nc1nc(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000012440518 568723530 /nfs/dbraw/zinc/72/35/30/568723530.db2.gz XJDVYYQHTVYPKU-UHFFFAOYSA-N 1 0 402.520 3.035 50 0 HGAARO CCc1ccc(N2CC[C@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000021642760 568727786 /nfs/dbraw/zinc/72/77/86/568727786.db2.gz SOQVPJDHXIWPDL-HSZRJFAPSA-N 1 0 405.542 3.167 50 0 HGAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2c(nc3c(C)cccn3c2=O)s1 ZINC000096347307 568737911 /nfs/dbraw/zinc/73/79/11/568737911.db2.gz FKLHYZVMQZYCSV-OAHLLOKOSA-N 1 0 400.548 3.458 50 0 HGAARO CN(C)C(=O)c1cc2c(s1)CC[C@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)C2 ZINC000096398279 568746874 /nfs/dbraw/zinc/74/68/74/568746874.db2.gz NLBLKPBQCOANDK-INIZCTEOSA-N 1 0 403.592 3.032 50 0 HGAARO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000056479465 568807784 /nfs/dbraw/zinc/80/77/84/568807784.db2.gz GAAOUYSITZOJOK-HXUWFJFHSA-N 1 0 418.541 3.210 50 0 HGAARO COc1cc(OC)cc([C@H](NC(=O)c2ccc(Br)o2)c2nccn2C)c1 ZINC000029130669 568820908 /nfs/dbraw/zinc/82/09/08/568820908.db2.gz UTKKIBINVICGMQ-INIZCTEOSA-N 1 0 420.263 3.312 50 0 HGAARO COc1cc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccccc4)CC3)c2cc1OC ZINC000057063779 568823888 /nfs/dbraw/zinc/82/38/88/568823888.db2.gz MJRUJTNWRJGKKO-UHFFFAOYSA-N 1 0 403.486 3.451 50 0 HGAARO COC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414189 568833354 /nfs/dbraw/zinc/83/33/54/568833354.db2.gz USYQTEPNQGYTFN-HSZRJFAPSA-N 1 0 419.525 3.422 50 0 HGAARO CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)(C3)C2 ZINC000012569505 568861400 /nfs/dbraw/zinc/86/14/00/568861400.db2.gz QAIBBEWIPLJJGD-MMOCYWLFSA-N 1 0 413.562 3.398 50 0 HGAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000012584648 568865864 /nfs/dbraw/zinc/86/58/64/568865864.db2.gz ICBOGSNWDHEZQE-UHFFFAOYSA-N 1 0 411.571 3.393 50 0 HGAARO Cc1cnc(-n2ncc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2C2CC2)nc1-c1cccs1 ZINC000299766018 568873726 /nfs/dbraw/zinc/87/37/26/568873726.db2.gz ANYQDJIDGHNLHQ-MRXNPFEDSA-N 1 0 422.558 3.353 50 0 HGAARO CCOC(=O)N1CCN(c2nc3c(C)cccc3cc2C[NH2+]C[C@H]2CCCO2)CC1 ZINC000299779664 568875024 /nfs/dbraw/zinc/87/50/24/568875024.db2.gz UYUZGHVQAXJVQS-HXUWFJFHSA-N 1 0 412.534 3.090 50 0 HGAARO Cc1ccc(C[NH+]2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cc1 ZINC000299787522 568875663 /nfs/dbraw/zinc/87/56/63/568875663.db2.gz MTBUDESHDONICE-QHCPKHFHSA-N 1 0 412.505 3.405 50 0 HGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000263585103 568878441 /nfs/dbraw/zinc/87/84/41/568878441.db2.gz FCKLGDLKDIMEBX-LEWJYISDSA-N 1 0 418.578 3.376 50 0 biogenic HGAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)NC(C)C)CC3)c(C)o2)cc1OC ZINC000004035738 568879485 /nfs/dbraw/zinc/87/94/85/568879485.db2.gz NLNWDEJBFHBFKK-UHFFFAOYSA-N 1 0 401.507 3.404 50 0 HGAARO COc1ccc(CCNC(=O)N[C@H](CN(C)C2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000058158655 568893783 /nfs/dbraw/zinc/89/37/83/568893783.db2.gz XLFFATITFGDWCF-XMMPIXPASA-N 1 0 424.589 3.304 50 0 HGAARO O=C(Cn1ncc2ccccc2c1=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670445284 568911143 /nfs/dbraw/zinc/91/11/43/568911143.db2.gz MBKRLNCHQFGYDX-QFIPXVFZSA-N 1 0 404.514 3.130 50 0 HGAARO COc1cccc([C@@H](CNC(=O)c2ccc3nnc(C(F)F)n3c2)[NH+]2CCCC2)c1 ZINC000083970545 568929206 /nfs/dbraw/zinc/92/92/06/568929206.db2.gz ARJMOUFHYFQGBC-QGZVFWFLSA-N 1 0 415.444 3.242 50 0 HGAARO Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000015729677 568980277 /nfs/dbraw/zinc/98/02/77/568980277.db2.gz NJXPVTMQRXCCHK-MRXNPFEDSA-N 1 0 408.506 3.083 50 0 HGAARO O=C(NCCC[NH+]1CCCCCC1)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000015731349 568981877 /nfs/dbraw/zinc/98/18/77/568981877.db2.gz BGTZJNVPARKHQV-UHFFFAOYSA-N 1 0 416.595 3.315 50 0 HGAARO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000012420247 568991088 /nfs/dbraw/zinc/99/10/88/568991088.db2.gz SBAGXSSBMUYPJH-FQEVSTJZSA-N 1 0 420.937 3.057 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2cccc(N3CCCC3=O)c2)[NH+]2CCCC2)cc1 ZINC000008327858 568992362 /nfs/dbraw/zinc/99/23/62/568992362.db2.gz GFOXYDJVTYHOEZ-QFIPXVFZSA-N 1 0 407.514 3.389 50 0 HGAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(OC(C)C)cc2)C3)CC1 ZINC000015779587 569001921 /nfs/dbraw/zinc/00/19/21/569001921.db2.gz DZRLHMQTLNASAE-UHFFFAOYSA-N 1 0 409.578 3.354 50 0 HGAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1=Cc2ccccc2OC1 ZINC000015786339 569007578 /nfs/dbraw/zinc/00/75/78/569007578.db2.gz VPLTVFGRSAUZJX-UHFFFAOYSA-N 1 0 411.933 3.444 50 0 HGAARO COc1ccc2c(c1)C=C(CN1CC[N@H+](Cc3ccccc3C)[C@H](CCO)C1)CO2 ZINC000106689679 569009119 /nfs/dbraw/zinc/00/91/19/569009119.db2.gz VOZDFMKRDAILGC-HSZRJFAPSA-N 1 0 408.542 3.348 50 0 HGAARO NC(=O)N[C@H](CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000012851992 569010526 /nfs/dbraw/zinc/01/05/26/569010526.db2.gz DPKWGPFQVUYMIA-HXUWFJFHSA-N 1 0 414.937 3.220 50 0 HGAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 ZINC000012917543 569022828 /nfs/dbraw/zinc/02/28/28/569022828.db2.gz XWKGFDMWWOFJHX-UHFFFAOYSA-N 1 0 424.570 3.484 50 0 HGAARO Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCC[NH+]4CCCCC4)C3)nn2)cc1 ZINC000035398056 569035053 /nfs/dbraw/zinc/03/50/53/569035053.db2.gz OQDPSEJSFCBUJO-NRFANRHFSA-N 1 0 407.562 3.271 50 0 HGAARO C[C@H]1CCC[N@H+](CCCNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)C1 ZINC000035399195 569035238 /nfs/dbraw/zinc/03/52/38/569035238.db2.gz BWDFBEYUWNIGGL-IBGZPJMESA-N 1 0 406.615 3.369 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000035429204 569036646 /nfs/dbraw/zinc/03/66/46/569036646.db2.gz MIYSYOWGJZUUAL-OAQYLSRUSA-N 1 0 411.933 3.474 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454047 569037864 /nfs/dbraw/zinc/03/78/64/569037864.db2.gz JHXQAULVEPFVOL-GOSISDBHSA-N 1 0 410.562 3.401 50 0 HGAARO CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000229376161 569040416 /nfs/dbraw/zinc/04/04/16/569040416.db2.gz HPRPVFJLAFAMSV-ZWKOTPCHSA-N 1 0 410.518 3.466 50 0 HGAARO C[NH+](C)CCNC(=O)[C@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000006363856 569046010 /nfs/dbraw/zinc/04/60/10/569046010.db2.gz BDCTYTCNIRVWSR-NVXWUHKLSA-N 1 0 413.971 3.369 50 0 HGAARO Cc1c(C)c2ccc(OC[C@H](O)C[NH2+]CCc3c[nH]c4ccccc34)cc2oc1=O ZINC000035686217 569050474 /nfs/dbraw/zinc/05/04/74/569050474.db2.gz PKEYNYJJDHITJX-GOSISDBHSA-N 1 0 406.482 3.463 50 0 HGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000409415107 569051524 /nfs/dbraw/zinc/05/15/24/569051524.db2.gz TZXOHCPJFHMULX-SIKLNZKXSA-N 1 0 411.550 3.215 50 0 biogenic HGAARO COc1ccccc1CN1CCC([NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000239760931 569054431 /nfs/dbraw/zinc/05/44/31/569054431.db2.gz CILKWMZXRKQKFV-UEVCKROQSA-N 1 0 401.595 3.139 50 0 HGAARO C[C@@H]1CN(Cc2ccc(C(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)cc2)CCO1 ZINC000242191305 569054935 /nfs/dbraw/zinc/05/49/35/569054935.db2.gz XENKPUXFDKZHFZ-UYAOXDASSA-N 1 0 411.521 3.303 50 0 HGAARO CCOc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000006464530 569057830 /nfs/dbraw/zinc/05/78/30/569057830.db2.gz NHZZGNAMAAEEJA-IEXUWNMDSA-N 1 0 416.562 3.472 50 0 HGAARO COc1ccc(OC)c(CNc2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)c1 ZINC000035830163 569061876 /nfs/dbraw/zinc/06/18/76/569061876.db2.gz DGMNPNLGKLJOPH-UHFFFAOYSA-N 1 0 411.546 3.461 50 0 HGAARO CCC[N@@H+]1CC[C@@H](NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 ZINC000426683800 569073829 /nfs/dbraw/zinc/07/38/29/569073829.db2.gz LBOBTQHPQWCXTD-MRXNPFEDSA-N 1 0 402.564 3.125 50 0 HGAARO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000035991346 569074611 /nfs/dbraw/zinc/07/46/11/569074611.db2.gz HBNKXLQEHLNBGD-KKSFZXQISA-N 1 0 415.534 3.473 50 0 HGAARO CC[C@H](C)[N@H+](CCNC(=O)c1ccc2c(c1)nc(C)c(=O)n2C)Cc1cccs1 ZINC000064858975 569109340 /nfs/dbraw/zinc/10/93/40/569109340.db2.gz YJEAKFANTKHVJJ-HNNXBMFYSA-N 1 0 412.559 3.334 50 0 HGAARO Cc1oc2cc(OCC[NH+]3CCC(C(N)=O)CC3)ccc2c(=O)c1-c1ccccc1 ZINC000006764334 569114401 /nfs/dbraw/zinc/11/44/01/569114401.db2.gz UZBCVSAVHBXGLP-UHFFFAOYSA-N 1 0 406.482 3.345 50 0 biogenic HGAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)CC(C)C ZINC000036249797 569119178 /nfs/dbraw/zinc/11/91/78/569119178.db2.gz GDDLKVRLMZTFTQ-FQEVSTJZSA-N 1 0 417.550 3.034 50 0 HGAARO Cc1c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cccc1-n1nnc2cccnc21 ZINC000064925763 569122790 /nfs/dbraw/zinc/12/27/90/569122790.db2.gz HBVZRNPEOJZZJG-UHFFFAOYSA-N 1 0 414.513 3.376 50 0 HGAARO CC[C@@H](C(=O)NCCC[NH+]1CCCC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799361 569126408 /nfs/dbraw/zinc/12/64/08/569126408.db2.gz IKSRVSBXANRZGB-KRWDZBQOSA-N 1 0 412.559 3.473 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccccc2F)CC1 ZINC000036341512 569141989 /nfs/dbraw/zinc/14/19/89/569141989.db2.gz POGZKLDMDFBIEJ-HSZRJFAPSA-N 1 0 424.520 3.150 50 0 HGAARO Cc1c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006840956 569151452 /nfs/dbraw/zinc/15/14/52/569151452.db2.gz NDDRBEAKRKWCJF-GASCZTMLSA-N 1 0 416.591 3.201 50 0 HGAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000065023122 569154726 /nfs/dbraw/zinc/15/47/26/569154726.db2.gz WRSLPHAYXGYYGG-IBGZPJMESA-N 1 0 413.541 3.347 50 0 HGAARO CCCC1N=NC(=S)N1CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000036391053 569166730 /nfs/dbraw/zinc/16/67/30/569166730.db2.gz KRZIZIDSQWWGMX-INIZCTEOSA-N 1 0 401.580 3.210 50 0 HGAARO COc1ccc(NC(=O)N2CCc3c2cccc3C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000065210153 569196069 /nfs/dbraw/zinc/19/60/69/569196069.db2.gz JKWPRIXXLSRLSO-UHFFFAOYSA-N 1 0 408.502 3.114 50 0 HGAARO O=C(c1ccc2c(c1)ncn2CC[NH+]1CCCC1)N1CCN(c2ccccc2F)CC1 ZINC000065255112 569207655 /nfs/dbraw/zinc/20/76/55/569207655.db2.gz OTFYYYHJFRYXJM-UHFFFAOYSA-N 1 0 421.520 3.234 50 0 HGAARO C[NH+](C)CCCNC(=O)C1CCN(c2nc3ccc(-c4cccnc4)nc3s2)CC1 ZINC000065272144 569215546 /nfs/dbraw/zinc/21/55/46/569215546.db2.gz HPWXYRQVTAQLDC-UHFFFAOYSA-N 1 0 424.574 3.038 50 0 HGAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000065329678 569224774 /nfs/dbraw/zinc/22/47/74/569224774.db2.gz JDZPEDBUXZTFPE-UHFFFAOYSA-N 1 0 422.529 3.132 50 0 HGAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000007339590 569234074 /nfs/dbraw/zinc/23/40/74/569234074.db2.gz XFNLZZYBTKJJCI-UHFFFAOYSA-N 1 0 413.971 3.329 50 0 HGAARO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000089949207 569269781 /nfs/dbraw/zinc/26/97/81/569269781.db2.gz KXPVXTLLUPVLAV-UKRRQHHQSA-N 1 0 403.445 3.413 50 0 HGAARO COc1ccc(C[NH2+]CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000237375482 569281917 /nfs/dbraw/zinc/28/19/17/569281917.db2.gz LZVQSZBBQCILJP-UHFFFAOYSA-N 1 0 405.901 3.316 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000002152824 569290145 /nfs/dbraw/zinc/29/01/45/569290145.db2.gz MAJIMOBMGHQQSS-AMBFMMJXSA-N 1 0 410.558 3.094 50 0 biogenic HGAARO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)ncn1 ZINC000252501764 569291087 /nfs/dbraw/zinc/29/10/87/569291087.db2.gz UJRWJFGUCXMLNL-CYBMUJFWSA-N 1 0 421.904 3.115 50 0 HGAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000252502971 569291172 /nfs/dbraw/zinc/29/11/72/569291172.db2.gz UWBXACWPVSKEFL-IBGZPJMESA-N 1 0 424.541 3.324 50 0 HGAARO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1 ZINC000170676894 569297901 /nfs/dbraw/zinc/29/79/01/569297901.db2.gz KAPZNRBXHNDJKM-SFHVURJKSA-N 1 0 410.486 3.377 50 0 HGAARO Cc1ccccc1CNC(=O)[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000195675468 569312929 /nfs/dbraw/zinc/31/29/29/569312929.db2.gz RLATZYFAFWOKSY-SFHVURJKSA-N 1 0 410.514 3.066 50 0 HGAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4ccsc4)CC3)C2)CC1 ZINC000581819676 569320748 /nfs/dbraw/zinc/32/07/48/569320748.db2.gz AWRQGJNNVMQLCL-FQEVSTJZSA-N 1 0 405.608 3.176 50 0 HGAARO C[NH+](C)CCn1c2sc3c(c2c(=O)n(-c2ccc(F)cc2)c1=O)CCCCC3 ZINC000002327253 569375486 /nfs/dbraw/zinc/37/54/86/569375486.db2.gz VJROQSKYHUPDFK-UHFFFAOYSA-N 1 0 401.507 3.184 50 0 HGAARO C[C@@H]1[C@H]2CC[C@@]3(O)[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@@]5(C)[C@H]4C[C@H]3[C@@H]2C[N@@H+]2CCCC[C@@H]12 ZINC000253487502 569381636 /nfs/dbraw/zinc/38/16/36/569381636.db2.gz LENMDDFRAPDCRB-LINAUYMDSA-N 1 0 417.634 3.432 50 0 HGAARO Cc1cc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2c3c(c(=O)oc2c1)CCC3 ZINC000002397495 569394597 /nfs/dbraw/zinc/39/45/97/569394597.db2.gz SEBFKXUZDXZZPB-UHFFFAOYSA-N 1 0 412.530 3.394 50 0 HGAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)cc1 ZINC000012420699 569401158 /nfs/dbraw/zinc/40/11/58/569401158.db2.gz LLMXCEQVXZVKLR-QGZVFWFLSA-N 1 0 424.831 3.327 50 0 HGAARO COc1c2c(cc3c1[C@H](C[C@@H](O)CCc1ccc4c(c1)OCO4)[N@H+](C)CC3)OCO2 ZINC000012661582 569402710 /nfs/dbraw/zinc/40/27/10/569402710.db2.gz SDGLWTATVZQCPU-IRXDYDNUSA-N 1 0 413.470 3.065 50 0 biogenic HGAARO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccccc1 ZINC000079025852 569424843 /nfs/dbraw/zinc/42/48/43/569424843.db2.gz NKRXCDKUDXPWOC-VFNWGFHPSA-N 1 0 411.527 3.095 50 0 HGAARO CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc12 ZINC000079193033 569429327 /nfs/dbraw/zinc/42/93/27/569429327.db2.gz SCXLHWYZRLQMFM-AZUAARDMSA-N 1 0 412.530 3.423 50 0 biogenic HGAARO Cc1cc(C)cc(OC[C@H](O)CC[NH2+]CC[C@H](O)COc2cc(C)cc(C)c2)c1 ZINC000263619718 571043600 /nfs/dbraw/zinc/04/36/00/571043600.db2.gz FMWYYFDDWMGCIC-SZPZYZBQSA-N 1 0 401.547 3.470 50 0 HGAARO O=C(CSc1nnnn1C1CCCC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000008770461 571116944 /nfs/dbraw/zinc/11/69/44/571116944.db2.gz LBTMJBZMWMKQTJ-UHFFFAOYSA-N 1 0 406.600 3.185 50 0 HGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000040058977 571146279 /nfs/dbraw/zinc/14/62/79/571146279.db2.gz SUYKHUJUJDSJHG-IRXDYDNUSA-N 1 0 401.532 3.147 50 0 HGAARO O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000040073662 571153855 /nfs/dbraw/zinc/15/38/55/571153855.db2.gz VZYAGPDZRUHWAF-NHCUHLMSSA-N 1 0 409.530 3.014 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000040106753 571167299 /nfs/dbraw/zinc/16/72/99/571167299.db2.gz GDSXYUIMBLKSDA-QGZVFWFLSA-N 1 0 415.559 3.363 50 0 HGAARO Cc1[nH]nc(-c2ccc(OCC[NH+]3CCC(C(N)=O)CC3)cc2O)c1-c1ccccc1 ZINC000008996559 571208882 /nfs/dbraw/zinc/20/88/82/571208882.db2.gz DOGHWZRQPBSZBE-UHFFFAOYSA-N 1 0 420.513 3.334 50 0 HGAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)c1 ZINC000009042713 571215157 /nfs/dbraw/zinc/21/51/57/571215157.db2.gz GDXJQZFJTRLPIA-PDOGEWKWSA-N 1 0 423.513 3.432 50 0 HGAARO Cc1ccc(N2N=C(C(=O)Nc3ccc4c(c3)C[N@H+](CCC(C)C)C4)NCC2=O)cc1 ZINC000069533549 571228969 /nfs/dbraw/zinc/22/89/69/571228969.db2.gz PTYLRUPPLPARTJ-UHFFFAOYSA-N 1 0 419.529 3.245 50 0 HGAARO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000069620802 571234507 /nfs/dbraw/zinc/23/45/07/571234507.db2.gz LWJKVCUKLNURFR-OAQYLSRUSA-N 1 0 405.542 3.205 50 0 HGAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009336782 571249289 /nfs/dbraw/zinc/24/92/89/571249289.db2.gz BWTPXUWKVVASTN-UHFFFAOYSA-N 1 0 401.960 3.231 50 0 HGAARO O=C(Cn1c(=O)oc2ccccc21)NCC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009688509 571280102 /nfs/dbraw/zinc/28/01/02/571280102.db2.gz MAMRZBZDWHQSHH-UHFFFAOYSA-N 1 0 413.905 3.276 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000009836242 571287862 /nfs/dbraw/zinc/28/78/62/571287862.db2.gz WSXDPRDISNYBCL-NRFANRHFSA-N 1 0 421.538 3.310 50 0 HGAARO C[NH+](C)Cc1ccccc1CNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000009917506 571290199 /nfs/dbraw/zinc/29/01/99/571290199.db2.gz TZGLKXVXILFDCD-UHFFFAOYSA-N 1 0 424.570 3.105 50 0 HGAARO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc2ccccc21 ZINC000010335608 571300767 /nfs/dbraw/zinc/30/07/67/571300767.db2.gz VUEHWZKRSUZDKD-FQEVSTJZSA-N 1 0 412.511 3.192 50 0 HGAARO COc1ccc(C(=O)N2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1OC ZINC000001457266 132246593 /nfs/dbraw/zinc/24/65/93/132246593.db2.gz RJYUMDGHODAPDM-UHFFFAOYSA-N 1 0 409.530 3.131 50 0 HGAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4cccc(OC)c4)c(C)c32)CC1 ZINC000002931461 132259885 /nfs/dbraw/zinc/25/98/85/132259885.db2.gz XFWCPSVABIGTFI-UHFFFAOYSA-N 1 0 411.531 3.403 50 0 HGAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000006700914 132313078 /nfs/dbraw/zinc/31/30/78/132313078.db2.gz PWSFEMSEMUXNAG-UHFFFAOYSA-N 1 0 417.893 3.139 50 0 HGAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(C)cc2Cl)c1 ZINC000006701133 132313084 /nfs/dbraw/zinc/31/30/84/132313084.db2.gz WEZRPWAMVADMRW-UHFFFAOYSA-N 1 0 401.894 3.439 50 0 HGAARO Cc1ccc([C@H]([NH2+]CC(=O)N2CCN(c3ccccn3)CC2)c2cccs2)cc1 ZINC000007753503 132325626 /nfs/dbraw/zinc/32/56/26/132325626.db2.gz ROFABABSJVEZNL-QHCPKHFHSA-N 1 0 406.555 3.479 50 0 HGAARO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2ncccn2)CC1 ZINC000009547533 132341040 /nfs/dbraw/zinc/34/10/40/132341040.db2.gz JDYOFVSDHSYURU-UHFFFAOYSA-N 1 0 407.562 3.112 50 0 HGAARO C[NH+]1CCN(c2ccccc2NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000012634552 132365499 /nfs/dbraw/zinc/36/54/99/132365499.db2.gz HREDJMFKSPNDNP-UHFFFAOYSA-N 1 0 401.894 3.044 50 0 HGAARO CC[NH+](CC)Cc1ccccc1CNC(=O)COc1cccc(N2CCCC2=O)c1 ZINC000032772636 520759623 /nfs/dbraw/zinc/75/96/23/520759623.db2.gz NSYAEUWPMPYHQL-UHFFFAOYSA-N 1 0 409.530 3.350 50 0 HGAARO CCN(CC)c1nnc(-n2cccc2C[NH2+]Cc2cccc(OC)c2OC)s1 ZINC000020576605 520935534 /nfs/dbraw/zinc/93/55/34/520935534.db2.gz WUYHICIDWFCQDU-UHFFFAOYSA-N 1 0 401.536 3.482 50 0 HGAARO CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000045846374 521311377 /nfs/dbraw/zinc/31/13/77/521311377.db2.gz WIRHQUJDQFLZGC-UHFFFAOYSA-N 1 0 407.971 3.280 50 0 HGAARO CC[NH+]1CCN(CCCNC(=O)c2c3ccccc3nnc2-c2ccccc2)CC1 ZINC000032953098 521680881 /nfs/dbraw/zinc/68/08/81/521680881.db2.gz WCKRJGXXNYXCFY-UHFFFAOYSA-N 1 0 403.530 3.054 50 0 HGAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(OC)c(OC)cc3OC)cc2)CC1 ZINC000032915635 521688333 /nfs/dbraw/zinc/68/83/33/521688333.db2.gz VUAIJXZDOWLEPX-UHFFFAOYSA-N 1 0 413.518 3.102 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1 ZINC000032970896 522008629 /nfs/dbraw/zinc/00/86/29/522008629.db2.gz VQOYBCGFXZINQX-SFHVURJKSA-N 1 0 400.548 3.411 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)C1CCCCC1 ZINC000040104757 522018531 /nfs/dbraw/zinc/01/85/31/522018531.db2.gz SIULCVZBHXJITK-PMACEKPBSA-N 1 0 402.539 3.436 50 0 HGAARO COc1cc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc(OC)c1OC ZINC000044917602 522409457 /nfs/dbraw/zinc/40/94/57/522409457.db2.gz SEOIIXCBCFQGOA-UHFFFAOYSA-N 1 0 416.493 3.380 50 0 HGAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2)CN1Cc1ccccc1 ZINC000032558305 523913704 /nfs/dbraw/zinc/91/37/04/523913704.db2.gz MNVGONRCYOPFHC-RPBOFIJWSA-N 1 0 417.553 3.335 50 0 HGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2)CC1 ZINC000032744827 523927446 /nfs/dbraw/zinc/92/74/46/523927446.db2.gz AGKLJVLHPVJBQN-UHFFFAOYSA-N 1 0 412.921 3.471 50 0 HGAARO CN(C)C(=O)CSc1ccccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911490 523997218 /nfs/dbraw/zinc/99/72/18/523997218.db2.gz SIGKCDQRXFTHQF-LJQANCHMSA-N 1 0 411.571 3.261 50 0 HGAARO C[NH+](C)C1(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CCCCCC1 ZINC000032719938 524035665 /nfs/dbraw/zinc/03/56/65/524035665.db2.gz MCUZNLKRTUISGP-UHFFFAOYSA-N 1 0 403.542 3.449 50 0 HGAARO C[NH+](C)CCCNC(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355487 524057064 /nfs/dbraw/zinc/05/70/64/524057064.db2.gz SUQGFCXGNHIWNO-UHFFFAOYSA-N 1 0 401.319 3.384 50 0 HGAARO CN(CC[NH+](C)C)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355844 524060711 /nfs/dbraw/zinc/06/07/11/524060711.db2.gz UNEARHZIBGNUCE-UHFFFAOYSA-N 1 0 401.319 3.336 50 0 HGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CN1C1Cc2ccccc2C1 ZINC000032519432 524089344 /nfs/dbraw/zinc/08/93/44/524089344.db2.gz PABMATGIYXSUIM-FPOVZHCZSA-N 1 0 417.475 3.151 50 0 HGAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1nc(-c2cccs2)no1 ZINC000032768552 525078812 /nfs/dbraw/zinc/07/88/12/525078812.db2.gz GVABJHPZAANAEG-UHFFFAOYSA-N 1 0 411.531 3.430 50 0 HGAARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1S(C)(=O)=O ZINC000044958926 526184547 /nfs/dbraw/zinc/18/45/47/526184547.db2.gz MSUKPUDBMQVEPO-UHFFFAOYSA-N 1 0 400.544 3.314 50 0 HGAARO Cc1c2ccccc2nc(SCC(=O)Nc2cc3c(cc2Cl)OCO3)[n+]1C ZINC000032858342 526391205 /nfs/dbraw/zinc/39/12/05/526391205.db2.gz NOPUVJGUNPWZCD-UHFFFAOYSA-N 1 0 401.875 3.354 50 0 HGAARO COc1ccc(Br)cc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000002873047 536633763 /nfs/dbraw/zinc/63/37/63/536633763.db2.gz IYBMBBXPBRCLSW-UHFFFAOYSA-N 1 0 404.308 3.462 50 0 HGAARO CCC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000001501665 557270457 /nfs/dbraw/zinc/27/04/57/557270457.db2.gz HWIAYULEJNXAAI-UHFFFAOYSA-N 1 0 414.571 3.493 50 0 HGAARO Cc1cc([C@H]2C[C@@H](C(=O)NCC[NH+](C)C)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715483 557429012 /nfs/dbraw/zinc/42/90/12/557429012.db2.gz AJUCGIIGBBADAM-LEWJYISDSA-N 1 0 411.521 3.058 50 0 HGAARO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]CCNc2nccc(C(F)(F)F)n2)cc1 ZINC000004299451 557537371 /nfs/dbraw/zinc/53/73/71/557537371.db2.gz KWZDGFZQAPLLNE-HNNXBMFYSA-N 1 0 412.456 3.234 50 0 HGAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)c2ccc(OC)c(OC)c2)c1=N ZINC000004599216 557571006 /nfs/dbraw/zinc/57/10/06/557571006.db2.gz IJVTWTIBZLNBPS-FQEVSTJZSA-N 1 0 412.534 3.015 50 0 HGAARO O=C(C1CC[NH+](Cc2cccnc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000004706992 557585206 /nfs/dbraw/zinc/58/52/06/557585206.db2.gz ICBRZOLDWDNUAE-WEVVVXLNSA-N 1 0 404.558 3.151 50 0 HGAARO CCOc1ccccc1N1C(=O)C[C@@H]([NH2+]CCc2c[nH]c3ccc(OC)cc23)C1=O ZINC000005274549 557642911 /nfs/dbraw/zinc/64/29/11/557642911.db2.gz BRBRWHQVMVBDIO-LJQANCHMSA-N 1 0 407.470 3.039 50 0 HGAARO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CC[NH+](C)CC2)cc1 ZINC000022698263 557794302 /nfs/dbraw/zinc/79/43/02/557794302.db2.gz BBPCEGKWDKMPOC-HSZRJFAPSA-N 1 0 407.514 3.149 50 0 HGAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)COc4cccc(C)c4)ccc3n2C)CC1 ZINC000022804377 557824772 /nfs/dbraw/zinc/82/47/72/557824772.db2.gz PROJZCQWEWKCOD-UHFFFAOYSA-N 1 0 421.545 3.037 50 0 HGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)cc21 ZINC000009970620 557852537 /nfs/dbraw/zinc/85/25/37/557852537.db2.gz TUPOTXLSGDRCON-HXUWFJFHSA-N 1 0 422.525 3.461 50 0 HGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cn3ccccc3n2)CC1 ZINC000011664322 558267878 /nfs/dbraw/zinc/26/78/78/558267878.db2.gz WJGFARXWFFWPES-UHFFFAOYSA-N 1 0 406.530 3.370 50 0 HGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc2ncccn2n1 ZINC000011813140 558278012 /nfs/dbraw/zinc/27/80/12/558278012.db2.gz DGBVGTAJULVXNW-GOSISDBHSA-N 1 0 411.937 3.409 50 0 HGAARO CC(=O)N[C@@H](C)C(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000011820947 558284257 /nfs/dbraw/zinc/28/42/57/558284257.db2.gz RIGFHMFHXCBYNS-FQEVSTJZSA-N 1 0 422.573 3.155 50 0 HGAARO C[C@@H]1CN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C[C@H](C)O1 ZINC000011821264 558284617 /nfs/dbraw/zinc/28/46/17/558284617.db2.gz JXUOMZXXTVZBQD-KDURUIRLSA-N 1 0 409.530 3.374 50 0 HGAARO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000019850565 558295328 /nfs/dbraw/zinc/29/53/28/558295328.db2.gz JENLAVDYHRMFFI-LJQANCHMSA-N 1 0 405.336 3.319 50 0 HGAARO COc1ccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1OC ZINC000019880269 558300810 /nfs/dbraw/zinc/30/08/10/558300810.db2.gz QUFCNGNHCKGMCY-UHFFFAOYSA-N 1 0 409.574 3.486 50 0 HGAARO OCCN1CC[NH+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000019891697 558303244 /nfs/dbraw/zinc/30/32/44/558303244.db2.gz IWNJWRRJZAETQO-KRWDZBQOSA-N 1 0 422.356 3.072 50 0 HGAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cc4ccccc4o3)CC2)O1)C1CCOCC1 ZINC000011964018 558303992 /nfs/dbraw/zinc/30/39/92/558303992.db2.gz ANUJYHMFEHXXIC-FQEVSTJZSA-N 1 0 412.530 3.489 50 0 HGAARO Cc1nc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4cccc(C)n4)CC3)O2)cs1 ZINC000011982896 558306335 /nfs/dbraw/zinc/30/63/35/558306335.db2.gz ZHGDWVLDQSXKCG-GOSISDBHSA-N 1 0 400.548 3.099 50 0 HGAARO CCOC(=O)c1ccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2cccc(OC)c2)o1 ZINC000012041313 558312811 /nfs/dbraw/zinc/31/28/11/558312811.db2.gz ZUVNHSBEOLQGRI-QGZVFWFLSA-N 1 0 400.475 3.136 50 0 HGAARO COc1cccc(-n2c(CNC(=O)C3CCCCC3)nnc2SCC[NH+](C)C)c1 ZINC000012160026 558341624 /nfs/dbraw/zinc/34/16/24/558341624.db2.gz YXDZIQMAMQWVQH-UHFFFAOYSA-N 1 0 417.579 3.126 50 0 HGAARO CCn1nc(C)c(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)c1C ZINC000012165169 558342203 /nfs/dbraw/zinc/34/22/03/558342203.db2.gz LYNRJBSJVCXBIB-SFHVURJKSA-N 1 0 400.523 3.056 50 0 HGAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(N4CCNC4=O)cc3)C2)c(OC)c1 ZINC000020204144 558346396 /nfs/dbraw/zinc/34/63/96/558346396.db2.gz WMKFBYCPZRAAJO-SFHVURJKSA-N 1 0 423.513 3.328 50 0 HGAARO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000012204565 558352307 /nfs/dbraw/zinc/35/23/07/558352307.db2.gz YJZRCEHIBWZZMY-KRWDZBQOSA-N 1 0 416.529 3.499 50 0 HGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)CSc1ncccn1 ZINC000012227717 558357333 /nfs/dbraw/zinc/35/73/33/558357333.db2.gz DRQOBFNQJPOYKV-GOSISDBHSA-N 1 0 402.539 3.121 50 0 HGAARO O=C(NCCc1ccccn1)[C@@H]1CC12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000012247265 558361977 /nfs/dbraw/zinc/36/19/77/558361977.db2.gz ZQNXVDJJDMVVIB-SFHVURJKSA-N 1 0 407.543 3.047 50 0 HGAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1cccc(C)n1 ZINC000012300258 558370065 /nfs/dbraw/zinc/37/00/65/558370065.db2.gz OOBDKBPLGJJQMJ-UHFFFAOYSA-N 1 0 411.546 3.399 50 0 HGAARO COc1ccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1Cn1cncn1 ZINC000012300094 558370125 /nfs/dbraw/zinc/37/01/25/558370125.db2.gz OLFPIPOKUTXSPF-UHFFFAOYSA-N 1 0 406.530 3.152 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000012303769 558373096 /nfs/dbraw/zinc/37/30/96/558373096.db2.gz XEBAUWKXPFSFPF-GOSISDBHSA-N 1 0 402.535 3.271 50 0 HGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000012306396 558375245 /nfs/dbraw/zinc/37/52/45/558375245.db2.gz JVAMWLYMVROHGT-IBGZPJMESA-N 1 0 410.562 3.324 50 0 HGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000012306394 558375333 /nfs/dbraw/zinc/37/53/33/558375333.db2.gz JVAMWLYMVROHGT-LJQANCHMSA-N 1 0 410.562 3.324 50 0 HGAARO Cc1nccn1CCC[NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000012306823 558375669 /nfs/dbraw/zinc/37/56/69/558375669.db2.gz DSZHJDDZIHOWON-UHFFFAOYSA-N 1 0 414.579 3.487 50 0 HGAARO COc1cccc(-c2nc3ccc(C(=O)NCC[N@@H+]4CCCC[C@@H]4CO)cc3o2)c1 ZINC000012313938 558377557 /nfs/dbraw/zinc/37/75/57/558377557.db2.gz UWEQHSIJOBKSDC-GOSISDBHSA-N 1 0 409.486 3.080 50 0 HGAARO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000020500277 558380703 /nfs/dbraw/zinc/38/07/03/558380703.db2.gz RTWCXCDLDYNSLO-UHFFFAOYSA-N 1 0 413.521 3.296 50 0 HGAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)c(OC)c1 ZINC000012386028 558394702 /nfs/dbraw/zinc/39/47/02/558394702.db2.gz LBOSCTWNGUFEGM-QGZVFWFLSA-N 1 0 416.518 3.098 50 0 HGAARO O=C(c1nc2sccn2c1C[N@@H+]1CCCC[C@H]1CCn1cccn1)N1CCCC1 ZINC000012434158 558408076 /nfs/dbraw/zinc/40/80/76/558408076.db2.gz KWFUDVWGKXPWSZ-KRWDZBQOSA-N 1 0 412.563 3.273 50 0 HGAARO O=C(c1nc2sccn2c1C[N@@H+]1CCCC[C@@H]1CCn1cccn1)N1CCCC1 ZINC000012434157 558408149 /nfs/dbraw/zinc/40/81/49/558408149.db2.gz KWFUDVWGKXPWSZ-QGZVFWFLSA-N 1 0 412.563 3.273 50 0 HGAARO COc1ccc(OC)c(CC(=O)N(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012443672 558412979 /nfs/dbraw/zinc/41/29/79/558412979.db2.gz OIXXVLHBSKECFE-OAQYLSRUSA-N 1 0 408.542 3.337 50 0 HGAARO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(CN4CCCC4=O)CC3)c(C)o2)cc1 ZINC000012458213 558418275 /nfs/dbraw/zinc/41/82/75/558418275.db2.gz DFXQRKKRJFKVNB-UHFFFAOYSA-N 1 0 411.502 3.271 50 0 HGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)Cc3ccc(OC)cc3)C2)cc1 ZINC000012464014 558419944 /nfs/dbraw/zinc/41/99/44/558419944.db2.gz VKIPHTCAMKBSOV-HXUWFJFHSA-N 1 0 410.514 3.053 50 0 HGAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020914933 558422641 /nfs/dbraw/zinc/42/26/41/558422641.db2.gz QDVAENFCTHNGKO-OAQYLSRUSA-N 1 0 407.518 3.365 50 0 HGAARO Cc1nonc1CC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012476188 558422890 /nfs/dbraw/zinc/42/28/90/558422890.db2.gz JLEHXDYLJZJCPS-KRWDZBQOSA-N 1 0 424.467 3.352 50 0 HGAARO Cc1cc(N2CCCN(C(=O)[C@@H]3CCC(=O)N(CC4CCCCC4)C3)CC2)cc[nH+]1 ZINC000012480259 558423440 /nfs/dbraw/zinc/42/34/40/558423440.db2.gz RQNXXVZNCCVPER-OAQYLSRUSA-N 1 0 412.578 3.248 50 0 HGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3cccc4nonc43)C2)cc1OC ZINC000020995111 558426676 /nfs/dbraw/zinc/42/66/76/558426676.db2.gz GKNPARBTCOSPOR-IBGZPJMESA-N 1 0 410.518 3.379 50 0 HGAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc4cccc(F)c4n3)C[C@@H]2CCO)CC1 ZINC000020999153 558427976 /nfs/dbraw/zinc/42/79/76/558427976.db2.gz OGZVPHRWMQVGBU-QFIPXVFZSA-N 1 0 414.569 3.115 50 0 HGAARO Cc1nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc(N2CCCC2)[nH+]1 ZINC000021793665 558449112 /nfs/dbraw/zinc/44/91/12/558449112.db2.gz GGDHDNARLZFINR-UHFFFAOYSA-N 1 0 419.451 3.366 50 0 HGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C1=C(C)OCCO1 ZINC000012715993 558455080 /nfs/dbraw/zinc/45/50/80/558455080.db2.gz QKAICAXVWIDWPR-HXUWFJFHSA-N 1 0 402.535 3.077 50 0 HGAARO O=C(c1cnccn1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012750381 558458892 /nfs/dbraw/zinc/45/88/92/558458892.db2.gz MNXYPGWPSMYDEM-HXUWFJFHSA-N 1 0 412.509 3.149 50 0 HGAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000022063385 558460769 /nfs/dbraw/zinc/46/07/69/558460769.db2.gz ISNMVAZRFKSKNY-ZDCBYCKXSA-N 1 0 410.514 3.301 50 0 HGAARO C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022785951 558510732 /nfs/dbraw/zinc/51/07/32/558510732.db2.gz HOGZBYPAVBFBPP-INIZCTEOSA-N 1 0 422.554 3.145 50 0 HGAARO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022920625 558522572 /nfs/dbraw/zinc/52/25/72/558522572.db2.gz PFCQTBJQZLDYPM-DHIUTWEWSA-N 1 0 415.537 3.302 50 0 HGAARO COc1ccc(C[N@@H+]2CCCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cc1 ZINC000023008240 558530123 /nfs/dbraw/zinc/53/01/23/558530123.db2.gz WDPDWEMJLURIRO-UHFFFAOYSA-N 1 0 412.921 3.064 50 0 HGAARO COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2)CN1Cc1ccc(Cl)cc1 ZINC000023374088 558554148 /nfs/dbraw/zinc/55/41/48/558554148.db2.gz XBGHDPBIVGXJNA-VXKWHMMOSA-N 1 0 415.965 3.144 50 0 HGAARO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)nnn1-c1cccc(Cl)c1 ZINC000013719794 558581213 /nfs/dbraw/zinc/58/12/13/558581213.db2.gz XYGGFQQJNNCYQO-UHFFFAOYSA-N 1 0 410.909 3.233 50 0 HGAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000004451906 558587943 /nfs/dbraw/zinc/58/79/43/558587943.db2.gz ISNMVAZRFKSKNY-XOQVKLMPSA-N 1 0 410.514 3.301 50 0 HGAARO CCOC(=O)c1sc2ncnc(NCC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)c2c1C ZINC000024528292 558600281 /nfs/dbraw/zinc/60/02/81/558600281.db2.gz JWKGELGXBMFBEC-STQMWFEESA-N 1 0 406.552 3.476 50 0 HGAARO CC[NH+]1CCN(c2ccccc2NC(=O)CCCNC(=O)c2cccs2)CC1 ZINC000024989203 558625751 /nfs/dbraw/zinc/62/57/51/558625751.db2.gz LACIRFWXSLRXAY-UHFFFAOYSA-N 1 0 400.548 3.039 50 0 HGAARO COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000014189629 558632408 /nfs/dbraw/zinc/63/24/08/558632408.db2.gz AVUVSEFUFATMAL-UHFFFAOYSA-N 1 0 404.532 3.168 50 0 HGAARO CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](Cc2ccncc2)C1 ZINC000014534296 558657398 /nfs/dbraw/zinc/65/73/98/558657398.db2.gz WIIKSRNNBUXMCJ-RBUKOAKNSA-N 1 0 412.509 3.214 50 0 HGAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](C3CCC3)CC2)N1CCc1ccccc1 ZINC000014536732 558658483 /nfs/dbraw/zinc/65/84/83/558658483.db2.gz YXOILNAZSKBCJV-UHFFFAOYSA-N 1 0 418.541 3.476 50 0 HGAARO Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C(C)C)cc1 ZINC000026567339 558663190 /nfs/dbraw/zinc/66/31/90/558663190.db2.gz BVUHULGASFRCPK-QHCPKHFHSA-N 1 0 422.573 3.448 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1cccc(F)c1F)CC2 ZINC000014731403 558665482 /nfs/dbraw/zinc/66/54/82/558665482.db2.gz OWESAATYWPFAMT-OAHLLOKOSA-N 1 0 414.456 3.211 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1cccc(F)c1F)CC2 ZINC000014731405 558665504 /nfs/dbraw/zinc/66/55/04/558665504.db2.gz OWESAATYWPFAMT-HNNXBMFYSA-N 1 0 414.456 3.211 50 0 HGAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC000014732927 558665968 /nfs/dbraw/zinc/66/59/68/558665968.db2.gz XDNJEJNGNXRKEN-SFHVURJKSA-N 1 0 424.545 3.295 50 0 HGAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CC1CCCCC1)C2 ZINC000014732625 558665998 /nfs/dbraw/zinc/66/59/98/558665998.db2.gz XONSVNRBEACZIZ-LJQANCHMSA-N 1 0 402.583 3.039 50 0 HGAARO CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]C1CCN(Cc3ccccc3)CC1)C2 ZINC000014743197 558667853 /nfs/dbraw/zinc/66/78/53/558667853.db2.gz KJHDPBGXFTYZPC-OAQYLSRUSA-N 1 0 423.605 3.106 50 0 HGAARO COc1cccc(C[NH+]2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)c1 ZINC000014744226 558668321 /nfs/dbraw/zinc/66/83/21/558668321.db2.gz RTDGMMIMRUKRRL-UHFFFAOYSA-N 1 0 407.514 3.167 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1c(F)cccc1F)CC2 ZINC000014744075 558668357 /nfs/dbraw/zinc/66/83/57/558668357.db2.gz LRUQVWYHCJTRGE-AWEZNQCLSA-N 1 0 414.456 3.211 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1Cl ZINC000027579837 558675544 /nfs/dbraw/zinc/67/55/44/558675544.db2.gz SZBNBAMHPRWBPA-IBGZPJMESA-N 1 0 413.905 3.379 50 0 HGAARO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnn(C(C)C)c3)C2)c1 ZINC000014955565 558682138 /nfs/dbraw/zinc/68/21/38/558682138.db2.gz XKKBQJCVAUIQJN-KRWDZBQOSA-N 1 0 400.523 3.123 50 0 HGAARO COc1ccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c(OC)c1OC ZINC000014960549 558683876 /nfs/dbraw/zinc/68/38/76/558683876.db2.gz QHSNEUABAXCZCZ-UHFFFAOYSA-N 1 0 422.529 3.147 50 0 HGAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C2CC2)C1 ZINC000014968164 558686271 /nfs/dbraw/zinc/68/62/71/558686271.db2.gz ZETSBZQELHMWFU-MRXNPFEDSA-N 1 0 420.492 3.122 50 0 HGAARO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000028017727 558689654 /nfs/dbraw/zinc/68/96/54/558689654.db2.gz BZHRNDRKCPONGV-QGZVFWFLSA-N 1 0 418.563 3.065 50 0 HGAARO Cc1cc(C)n(CCCn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]CC2CC2)C4)n1 ZINC000014981514 558692021 /nfs/dbraw/zinc/69/20/21/558692021.db2.gz YPXWMSJZNICBKC-KRWDZBQOSA-N 1 0 411.575 3.219 50 0 HGAARO COCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1ccc(F)cc1)C3 ZINC000014984120 558692660 /nfs/dbraw/zinc/69/26/60/558692660.db2.gz FCOLMYYJEBNRQK-INIZCTEOSA-N 1 0 401.507 3.281 50 0 HGAARO CCOc1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1 ZINC000028287987 558695203 /nfs/dbraw/zinc/69/52/03/558695203.db2.gz HEMPPTOBYXGURI-NRFANRHFSA-N 1 0 401.938 3.457 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCC[C@@H](O)C2)c1 ZINC000015063075 558705594 /nfs/dbraw/zinc/70/55/94/558705594.db2.gz WLZCXJKZOCVYOQ-GOSISDBHSA-N 1 0 402.535 3.078 50 0 HGAARO O=C(CC1=CSC2=NCCN12)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000015063222 558705840 /nfs/dbraw/zinc/70/58/40/558705840.db2.gz PITXUUHWSSCJPL-QFIPXVFZSA-N 1 0 414.550 3.290 50 0 HGAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000015063760 558706527 /nfs/dbraw/zinc/70/65/27/558706527.db2.gz XZMHPGUWLUISGB-JOCHJYFZSA-N 1 0 405.502 3.441 50 0 HGAARO C[C@H](C(=O)N(C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)n1cncn1 ZINC000015071336 558713020 /nfs/dbraw/zinc/71/30/20/558713020.db2.gz FGWLFUBMZBTAFD-MRXNPFEDSA-N 1 0 423.483 3.271 50 0 HGAARO C[C@@H](C(=O)N(C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)n1cncn1 ZINC000015071334 558713023 /nfs/dbraw/zinc/71/30/23/558713023.db2.gz FGWLFUBMZBTAFD-INIZCTEOSA-N 1 0 423.483 3.271 50 0 HGAARO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029488259 558715858 /nfs/dbraw/zinc/71/58/58/558715858.db2.gz VDKJESCCOWUKAG-OAQYLSRUSA-N 1 0 415.559 3.273 50 0 HGAARO c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@@H]([C@H]1CCOC1)N1CCOCC1 ZINC000030666083 558735314 /nfs/dbraw/zinc/73/53/14/558735314.db2.gz BRLLBEUFWOPHSD-LPHOPBHVSA-N 1 0 413.543 3.383 50 0 HGAARO NC(=O)COc1ccc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000030910959 558744449 /nfs/dbraw/zinc/74/44/49/558744449.db2.gz QICKLAXIRBSVBN-LJQANCHMSA-N 1 0 405.901 3.270 50 0 HGAARO CC(C)[C@@H](NC(=O)C[NH2+]CCOc1ccccc1F)c1ccc2c(c1)OCCCO2 ZINC000016695497 558801048 /nfs/dbraw/zinc/80/10/48/558801048.db2.gz UIGPRCYQBKHNTG-HSZRJFAPSA-N 1 0 416.493 3.469 50 0 HGAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000016699025 558801339 /nfs/dbraw/zinc/80/13/39/558801339.db2.gz PRSARNVVZSPZAC-HNNXBMFYSA-N 1 0 421.423 3.444 50 0 HGAARO COc1cc(OC)c(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)c(OC)c1 ZINC000039394860 558820871 /nfs/dbraw/zinc/82/08/71/558820871.db2.gz BPVSHKNEWYZKEU-LJQANCHMSA-N 1 0 406.567 3.161 50 0 HGAARO CCCCc1nc(CN2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)c[nH]1 ZINC000039430380 558821062 /nfs/dbraw/zinc/82/10/62/558821062.db2.gz OHIXTRZWSKRVGS-UHFFFAOYSA-N 1 0 401.599 3.051 50 0 HGAARO COc1cccc2ccc(CN3CC[N@H+](CCc4ccccc4)[C@H](CCO)C3)nc21 ZINC000039537967 558822283 /nfs/dbraw/zinc/82/22/83/558822283.db2.gz WUINPJBDPAYTCV-HSZRJFAPSA-N 1 0 405.542 3.355 50 0 HGAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](CCCSC)CC2 ZINC000019112633 558841684 /nfs/dbraw/zinc/84/16/84/558841684.db2.gz GTBVFOIFOFTURW-UHFFFAOYSA-N 1 0 419.591 3.075 50 0 HGAARO CC1CC[NH+]([C@@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)c2cccs2)CC1 ZINC000033028218 558851842 /nfs/dbraw/zinc/85/18/42/558851842.db2.gz NMLISWKWULQOCL-IBGZPJMESA-N 1 0 403.592 3.286 50 0 HGAARO CC1CC[NH+]([C@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)c2cccs2)CC1 ZINC000033028219 558851898 /nfs/dbraw/zinc/85/18/98/558851898.db2.gz NMLISWKWULQOCL-LJQANCHMSA-N 1 0 403.592 3.286 50 0 HGAARO C[N@@H+]1CCN(c2nc3nonc3nc2NCc2cccs2)C[C@@H]1c1ccccc1 ZINC000019225034 558852578 /nfs/dbraw/zinc/85/25/78/558852578.db2.gz SHQWERWRLIPDQT-MRXNPFEDSA-N 1 0 407.503 3.180 50 0 HGAARO CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000022185695 558864154 /nfs/dbraw/zinc/86/41/54/558864154.db2.gz BRMIAGCGEPMEHX-NRFANRHFSA-N 1 0 410.518 3.304 50 0 HGAARO Cc1ccc(CN2CC[N@H+](Cc3c(C)cc(C)cc3-n3cccn3)C[C@@H]2CCO)o1 ZINC000019335695 558869877 /nfs/dbraw/zinc/86/98/77/558869877.db2.gz FDXXOIXYUWAKOP-NRFANRHFSA-N 1 0 408.546 3.459 50 0 HGAARO O=C(CCc1cccnc1)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055060861 558871127 /nfs/dbraw/zinc/87/11/27/558871127.db2.gz LWQOXPSBZXPDQY-JOCHJYFZSA-N 1 0 412.965 3.481 50 0 HGAARO O=C(c1nc2ccccn2c1C[NH2+]Cc1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000055088176 558871708 /nfs/dbraw/zinc/87/17/08/558871708.db2.gz WOLRUWHPPORQFS-UHFFFAOYSA-N 1 0 418.419 3.115 50 0 HGAARO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cn2ccccc2n1 ZINC000060367733 558889534 /nfs/dbraw/zinc/88/95/34/558889534.db2.gz YYKVDSYYZPNKBO-UHFFFAOYSA-N 1 0 404.436 3.486 50 0 HGAARO CC[N@@H+]1CCC[C@H](CNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)C1 ZINC000058060274 558897356 /nfs/dbraw/zinc/89/73/56/558897356.db2.gz CJLSHKZPIFHVJV-GFCCVEGCSA-N 1 0 415.847 3.444 50 0 HGAARO CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 ZINC000058062866 558897578 /nfs/dbraw/zinc/89/75/78/558897578.db2.gz LJRWWZRLFBJOTH-SFHVURJKSA-N 1 0 423.579 3.073 50 0 HGAARO O=C(CCCNC(=O)NC1CCCCC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058131125 558900624 /nfs/dbraw/zinc/90/06/24/558900624.db2.gz QVONLLHHKGKQGA-NRFANRHFSA-N 1 0 414.594 3.427 50 0 HGAARO C[C@@H]1CCN(C(=O)CN2CCC(CC[NH+]3CCOCC3)CC2)c2ccccc2S1 ZINC000058161530 558905770 /nfs/dbraw/zinc/90/57/70/558905770.db2.gz WIOAGRONJKKSSH-LJQANCHMSA-N 1 0 417.619 3.338 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C(=O)Nc2ccccn2)CC1)CC(C)C ZINC000058161814 558905870 /nfs/dbraw/zinc/90/58/70/558905870.db2.gz XWFCYBOLOOXYSF-LJQANCHMSA-N 1 0 403.571 3.198 50 0 HGAARO C[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000058406325 558924520 /nfs/dbraw/zinc/92/45/20/558924520.db2.gz UZLHYIDGIXIQGQ-MRXNPFEDSA-N 1 0 402.489 3.352 50 0 HGAARO Cc1cc(C)cc(C(=O)N2CCN(C(=O)NCc3ccccc3C[NH+](C)C)CC2)c1 ZINC000058438530 558927112 /nfs/dbraw/zinc/92/71/12/558927112.db2.gz UAVYKVKSLOEPDQ-UHFFFAOYSA-N 1 0 408.546 3.033 50 0 HGAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccccc2Br)[nH+]1 ZINC000072117804 558927695 /nfs/dbraw/zinc/92/76/95/558927695.db2.gz WXHBYEQQZFEMMX-UHFFFAOYSA-N 1 0 418.339 3.380 50 0 HGAARO Cc1ccc(NC(=O)c2nnc(C(=O)NCCC[N@@H+](C)C3CCCCC3)s2)cc1 ZINC000033061073 558954942 /nfs/dbraw/zinc/95/49/42/558954942.db2.gz SQQGFGKRYMDCIJ-UHFFFAOYSA-N 1 0 415.563 3.483 50 0 HGAARO CCOc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000064800061 558965790 /nfs/dbraw/zinc/96/57/90/558965790.db2.gz XIHHPUKVZHHQJI-UHFFFAOYSA-N 1 0 410.522 3.138 50 0 HGAARO COc1cccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000065362970 558973926 /nfs/dbraw/zinc/97/39/26/558973926.db2.gz JYABRJLREYWUQH-UHFFFAOYSA-N 1 0 410.522 3.138 50 0 HGAARO COc1cc(OC)c(-c2c(-c3ccccc3)ncn2C[C@@H]2C[NH2+]CCO2)cc1OC ZINC000065455655 558977680 /nfs/dbraw/zinc/97/76/80/558977680.db2.gz VCGUTDBEDWJRBG-KRWDZBQOSA-N 1 0 409.486 3.231 50 0 HGAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1ccc2c(c1)nc1n2CCOC1 ZINC000021943173 558979595 /nfs/dbraw/zinc/97/95/95/558979595.db2.gz YONXDBAQCDAQKP-UHFFFAOYSA-N 1 0 422.504 3.348 50 0 HGAARO C[NH+](C)CCOc1cccc2c1c(NC(=O)[C@H]1CCOC1)nn2-c1cccc(F)c1 ZINC000072435347 558980107 /nfs/dbraw/zinc/98/01/07/558980107.db2.gz GLBDCYVSVKIDMM-HNNXBMFYSA-N 1 0 412.465 3.080 50 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Cn1nccc1CCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095527118 559086136 /nfs/dbraw/zinc/08/61/36/559086136.db2.gz SIXGUUPCXIHVLY-QFIPXVFZSA-N 1 0 402.583 3.015 50 0 HGAARO CCOc1ccccc1N1CCN(C(=O)c2cnc(CN3CCCC3)s2)CC1 ZINC000097797711 559122330 /nfs/dbraw/zinc/12/23/30/559122330.db2.gz GLRICFXTJGECTJ-UHFFFAOYSA-N 1 0 400.548 3.100 50 0 HGAARO O=C1C[C@H](N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100161388 559131328 /nfs/dbraw/zinc/13/13/28/559131328.db2.gz AFPQASUMUNRWGM-MHZGPWMTSA-N 1 0 411.521 3.044 50 0 HGAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccccc3C)nc1=O)CCC2 ZINC000004851762 559191258 /nfs/dbraw/zinc/19/12/58/559191258.db2.gz SCBCCSHOXGWFHM-UHFFFAOYSA-N 1 0 414.575 3.113 50 0 HGAARO Cc1cnc2ccccc2c1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000408519074 559213695 /nfs/dbraw/zinc/21/36/95/559213695.db2.gz WWXYVICLEYFOKJ-FQEVSTJZSA-N 1 0 404.514 3.244 50 0 HGAARO CCCC[N@H+](CCCNC(=O)Cn1ncc2ccsc2c1=O)Cc1ccccc1 ZINC000005036011 559232383 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CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000106920684 560894531 /nfs/dbraw/zinc/89/45/31/560894531.db2.gz YAYOMZWHQGTVCH-AEFFLSMTSA-N 1 0 413.484 3.123 50 0 HGAARO COc1ccc(C)c2sc(N(CCC[NH+](C)C)C(=O)c3cc(C)n(C)n3)nc21 ZINC000012229272 560896028 /nfs/dbraw/zinc/89/60/28/560896028.db2.gz GQAKSTQUDIFSMQ-UHFFFAOYSA-N 1 0 401.536 3.254 50 0 HGAARO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2cc(Br)ccc2OC)CC1 ZINC000048311590 568436953 /nfs/dbraw/zinc/43/69/53/568436953.db2.gz OXWOQUMRWBWIRO-UHFFFAOYSA-N 1 0 417.369 3.095 50 0 HGAARO COc1cc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc(OC)c1OC ZINC000048326064 568438804 /nfs/dbraw/zinc/43/88/04/568438804.db2.gz SDUDOZDYBPOEQV-UHFFFAOYSA-N 1 0 410.264 3.493 50 0 HGAARO CCOC(=O)c1cc2cc(NC(=O)NCC(C)(C)N3CC[NH+](C)CC3)ccc2s1 ZINC000048332685 568439329 /nfs/dbraw/zinc/43/93/29/568439329.db2.gz ZTHIQXDAOWOMCO-UHFFFAOYSA-N 1 0 418.563 3.226 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000048333004 568439359 /nfs/dbraw/zinc/43/93/59/568439359.db2.gz OUXLBUFJDKKVCT-IAGOWNOFSA-N 1 0 407.514 3.425 50 0 HGAARO COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000048362342 568441632 /nfs/dbraw/zinc/44/16/32/568441632.db2.gz BEENQSLUEJMGCT-HXUWFJFHSA-N 1 0 409.530 3.001 50 0 HGAARO CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N3CCN(CC)CC3)o2)cc1 ZINC000024721597 568459990 /nfs/dbraw/zinc/45/99/90/568459990.db2.gz FXADLYPFYDZGLZ-MRXNPFEDSA-N 1 0 417.579 3.228 50 0 HGAARO O=C(CS[C@H]1CCc2ccccc2NC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012323298 568471401 /nfs/dbraw/zinc/47/14/01/568471401.db2.gz OHHKDFVGJYKEAI-QFIPXVFZSA-N 1 0 423.582 3.454 50 0 HGAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000095428338 568608274 /nfs/dbraw/zinc/60/82/74/568608274.db2.gz XGOSXZDPRLMINA-AWEZNQCLSA-N 1 0 409.889 3.409 50 0 HGAARO CCCC(=O)N1CCCC[C@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000095457781 568618783 /nfs/dbraw/zinc/61/87/83/568618783.db2.gz PLMKWKXCCKJDKL-NRFANRHFSA-N 1 0 400.567 3.328 50 0 HGAARO CCCC[N@H+](C)CCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000020724601 568640694 /nfs/dbraw/zinc/64/06/94/568640694.db2.gz RZFOBTLYKPVVOQ-UHFFFAOYSA-N 1 0 404.942 3.192 50 0 HGAARO C[C@H](c1ncc(Br)cn1)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000225521147 568646353 /nfs/dbraw/zinc/64/63/53/568646353.db2.gz GZQZZPJUUNWKAM-MRXNPFEDSA-N 1 0 404.356 3.054 50 0 HGAARO CC[NH+](CC)CCOCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000095939496 568661256 /nfs/dbraw/zinc/66/12/56/568661256.db2.gz QMJKKEKJVCVMIH-UHFFFAOYSA-N 1 0 412.534 3.443 50 0 HGAARO COC(=O)C1(NC(=O)COc2c(C)cccc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000095995436 568678339 /nfs/dbraw/zinc/67/83/39/568678339.db2.gz RNIUBDVEZPHVEN-UHFFFAOYSA-N 1 0 410.514 3.006 50 0 HGAARO CCCSc1ccccc1N1CC[NH+](CCCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000096027657 568686653 /nfs/dbraw/zinc/68/66/53/568686653.db2.gz SECBKQSNLHFZSJ-UHFFFAOYSA-N 1 0 418.607 3.421 50 0 HGAARO Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)N3CC[NH+](C4CCCCC4)CC3)c2n1 ZINC000021539911 568713241 /nfs/dbraw/zinc/71/32/41/568713241.db2.gz PTZQBCGMFOEZKM-UHFFFAOYSA-N 1 0 420.561 3.316 50 0 HGAARO CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)c1C ZINC000229757255 568715179 /nfs/dbraw/zinc/71/51/79/568715179.db2.gz NGKRZSJVLWQIOY-PMACEKPBSA-N 1 0 411.506 3.106 50 0 HGAARO O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096343562 568737036 /nfs/dbraw/zinc/73/70/36/568737036.db2.gz FSFQLCYXLPWMPS-IIBYNOLFSA-N 1 0 410.514 3.041 50 0 HGAARO CCOC(=O)C1=C(C[NH2+][C@@H](C)CCc2ccccc2)NC(=O)N[C@H]1c1ccccc1 ZINC000085993824 568745028 /nfs/dbraw/zinc/74/50/28/568745028.db2.gz SLDFDPJKNPNUES-JTSKRJEESA-N 1 0 407.514 3.469 50 0 HGAARO O=S(=O)(NCc1ccccc1C[NH+]1CCCCC1)c1cccc2nsnc21 ZINC000019079011 568751901 /nfs/dbraw/zinc/75/19/01/568751901.db2.gz HGKGYBXPSKDUNQ-UHFFFAOYSA-N 1 0 402.545 3.156 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000021872487 568756566 /nfs/dbraw/zinc/75/65/66/568756566.db2.gz ROCLGSNUXANUFK-UHFFFAOYSA-N 1 0 424.570 3.326 50 0 HGAARO CCC[NH+]1CCN(CCCNc2nc3c(cnn3C)c(Nc3cccc(C)c3)n2)CC1 ZINC000021928855 568761562 /nfs/dbraw/zinc/76/15/62/568761562.db2.gz OJOJMSAJPBKORC-UHFFFAOYSA-N 1 0 422.581 3.245 50 0 HGAARO CN1c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097077456 568767414 /nfs/dbraw/zinc/76/74/14/568767414.db2.gz VTFFVDBTVSQNDF-JOCHJYFZSA-N 1 0 410.562 3.179 50 0 HGAARO Cc1ccc([C@H](CNC(=O)c2cccc(Br)c2)N2CC[NH+](C)CC2)cc1 ZINC000022582479 568770760 /nfs/dbraw/zinc/77/07/60/568770760.db2.gz HLNUGIFZXNPIMC-FQEVSTJZSA-N 1 0 416.363 3.476 50 0 HGAARO COc1ccc(Br)c(C(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000225571402 568774539 /nfs/dbraw/zinc/77/45/39/568774539.db2.gz OCBWROBLAASPQZ-AWEZNQCLSA-N 1 0 413.381 3.405 50 0 HGAARO Cc1ccc(-c2ccc(=O)n(CCC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000002941006 568819143 /nfs/dbraw/zinc/81/91/43/568819143.db2.gz OICDNJWGIQWFAU-BGYRXZFFSA-N 1 0 410.562 3.093 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccsc1 ZINC000029414868 568825198 /nfs/dbraw/zinc/82/51/98/568825198.db2.gz KHAHNCXLUMJNHS-IBGZPJMESA-N 1 0 421.588 3.002 50 0 HGAARO C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCc2sccc2C1 ZINC000031663798 568837679 /nfs/dbraw/zinc/83/76/79/568837679.db2.gz PVEPWNGYLNRJRX-GOSISDBHSA-N 1 0 412.603 3.459 50 0 HGAARO CNC(=O)c1cc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cs1 ZINC000670433853 568866169 /nfs/dbraw/zinc/86/61/69/568866169.db2.gz NJLYBUIEYKQDJS-SFHVURJKSA-N 1 0 421.588 3.003 50 0 HGAARO O=C(CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)N1CCCC1 ZINC000299757085 568873013 /nfs/dbraw/zinc/87/30/13/568873013.db2.gz MMKHRGRVXVWTHB-RBBKRZOGSA-N 1 0 419.997 3.265 50 0 HGAARO Cc1cc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nc2ccccc12 ZINC000299760206 568873125 /nfs/dbraw/zinc/87/31/25/568873125.db2.gz DHBJSMDYAZYKKZ-OAQYLSRUSA-N 1 0 422.573 3.305 50 0 HGAARO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000058010263 568875296 /nfs/dbraw/zinc/87/52/96/568875296.db2.gz IOMHXGCVADPHMV-XMMPIXPASA-N 1 0 406.574 3.346 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000004062997 568881559 /nfs/dbraw/zinc/88/15/59/568881559.db2.gz GQWCDWWREXSFDW-VEMNPONZSA-N 1 0 416.606 3.222 50 0 biogenic HGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCN1C(=O)c1cccs1 ZINC000003504273 568910680 /nfs/dbraw/zinc/91/06/80/568910680.db2.gz JPLQYUUFHCUUDC-IAGOWNOFSA-N 1 0 401.532 3.289 50 0 HGAARO C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1OC(F)(F)F ZINC000012736533 568925552 /nfs/dbraw/zinc/92/55/52/568925552.db2.gz CHKHLSQNIBFAJS-UHFFFAOYSA-N 1 0 409.408 3.433 50 0 HGAARO CCOC(=O)c1csc(N2[NH2+]C(C=Cc3ccco3)=C[C@@]2(O)C(F)(F)F)n1 ZINC000001411803 568931403 /nfs/dbraw/zinc/93/14/03/568931403.db2.gz JZHRPROKUYABGS-LLYBFZRZSA-N 1 0 401.366 3.443 50 0 HGAARO COc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)[NH+]2CCCC2)cc1 ZINC000012754327 568942293 /nfs/dbraw/zinc/94/22/93/568942293.db2.gz UBOBNMYEBPJCJE-NFBKMPQASA-N 1 0 421.541 3.310 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1Cl ZINC000012765462 568948131 /nfs/dbraw/zinc/94/81/31/568948131.db2.gz PZTUMEPKCZPJGJ-SFHVURJKSA-N 1 0 424.954 3.192 50 0 HGAARO CC(C)S(=O)(=O)CCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000084622133 568953354 /nfs/dbraw/zinc/95/33/54/568953354.db2.gz QMJDCLHJYKTITE-UHFFFAOYSA-N 1 0 404.370 3.258 50 0 HGAARO CCC[NH+](CCC)Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)no1 ZINC000084755182 568958266 /nfs/dbraw/zinc/95/82/66/568958266.db2.gz QKKQAOVLNVVCME-UHFFFAOYSA-N 1 0 422.551 3.108 50 0 HGAARO O=C(C[NH+]1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1)NC[C@@H]1CCCO1 ZINC000038535991 568998073 /nfs/dbraw/zinc/99/80/73/568998073.db2.gz BOLYXDIHORVLGD-INIZCTEOSA-N 1 0 424.467 3.062 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3cccnc3)C[C@H]2CCO)cc1C ZINC000104319553 569008241 /nfs/dbraw/zinc/00/82/41/569008241.db2.gz SZXXILOMQZVZDN-HSZRJFAPSA-N 1 0 420.557 3.258 50 0 HGAARO COc1cc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)cc(OC)c1OC ZINC000104415456 569008640 /nfs/dbraw/zinc/00/86/40/569008640.db2.gz FJMWVTHKRMVVLX-OAQYLSRUSA-N 1 0 414.546 3.090 50 0 HGAARO Cc1sc2ncn(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1C ZINC000012874551 569013524 /nfs/dbraw/zinc/01/35/24/569013524.db2.gz QUYMWBJHDGQVGC-UHFFFAOYSA-N 1 0 424.570 3.246 50 0 HGAARO C[C@H](CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000015864131 569016365 /nfs/dbraw/zinc/01/63/65/569016365.db2.gz OUCWHRZYHLQAIS-MRXNPFEDSA-N 1 0 417.912 3.157 50 0 HGAARO Cc1ccc(-c2csc3ncn(CCC(=O)NCC[NH+]4CCCC4)c(=O)c23)cc1 ZINC000012914458 569022147 /nfs/dbraw/zinc/02/21/47/569022147.db2.gz CNIJSVCAOWYRMT-UHFFFAOYSA-N 1 0 410.543 3.036 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)c1cnc2ccc(C)cn2c1=O)c1ccccc1Cl ZINC000012952434 569029685 /nfs/dbraw/zinc/02/96/85/569029685.db2.gz BLQXTWNJNVESSK-LJQANCHMSA-N 1 0 412.921 3.469 50 0 HGAARO CNC(=O)c1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000012984800 569047680 /nfs/dbraw/zinc/04/76/80/569047680.db2.gz SBYQOHUAGNIKES-LJQANCHMSA-N 1 0 414.575 3.380 50 0 HGAARO Nc1c2c(nn1Cc1ccccc1)nc(N1CCC[NH2+]CC1)nc2-c1ccc(F)cc1 ZINC000035929916 569066698 /nfs/dbraw/zinc/06/66/98/569066698.db2.gz RQMPHEIXCUXOJC-UHFFFAOYSA-N 1 0 417.492 3.063 50 0 HGAARO CCc1ccc(CN2CCc3c(C(=O)NC[C@H]4CCCC[N@@H+]4C)csc3C2)nc1 ZINC000426440212 569073114 /nfs/dbraw/zinc/07/31/14/569073114.db2.gz COSWIGQYBGTZST-LJQANCHMSA-N 1 0 412.603 3.478 50 0 HGAARO C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006659874 569084007 /nfs/dbraw/zinc/08/40/07/569084007.db2.gz DGSXCBZLHHKNJU-QGZVFWFLSA-N 1 0 406.482 3.341 50 0 biogenic HGAARO COc1cccc(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)[C@@H](C)C(C)C)c1 ZINC000036065592 569085904 /nfs/dbraw/zinc/08/59/04/569085904.db2.gz SEIAXYXEMQCUIW-KRWDZBQOSA-N 1 0 402.539 3.021 50 0 HGAARO COCCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccccc1C ZINC000036097186 569090254 /nfs/dbraw/zinc/09/02/54/569090254.db2.gz CYWOPNCPYMMIBG-HXUWFJFHSA-N 1 0 403.519 3.291 50 0 HGAARO COC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146662 569098758 /nfs/dbraw/zinc/09/87/58/569098758.db2.gz RDOBANNLIZKTNV-MSOLQXFVSA-N 1 0 406.885 3.482 50 0 HGAARO COc1cccc(C[N@H+]2CC=C(C(=O)N3CCN(c4cccc(C)c4)CC3)CC2)c1 ZINC000064818003 569101274 /nfs/dbraw/zinc/10/12/74/569101274.db2.gz BWVINWWBDHYSBF-UHFFFAOYSA-N 1 0 405.542 3.485 50 0 HGAARO COc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000169679579 569126865 /nfs/dbraw/zinc/12/68/65/569126865.db2.gz NOVNBTNIEHSDQI-CTNGQTDRSA-N 1 0 401.503 3.125 50 0 HGAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2nc(N3CCOCC3)sc2c1 ZINC000006806344 569130998 /nfs/dbraw/zinc/13/09/98/569130998.db2.gz WRPFXTAVUVAASN-UHFFFAOYSA-N 1 0 402.564 3.129 50 0 HGAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccccc2F)CC1 ZINC000036340384 569141696 /nfs/dbraw/zinc/14/16/96/569141696.db2.gz FBDWTMGEUHVEAO-FQEVSTJZSA-N 1 0 400.542 3.496 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2cccc(F)c2)CC1 ZINC000036344813 569142868 /nfs/dbraw/zinc/14/28/68/569142868.db2.gz RBDFOFPLWNCRDD-JOCHJYFZSA-N 1 0 424.520 3.150 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2OC)CC1 ZINC000036345255 569143179 /nfs/dbraw/zinc/14/31/79/569143179.db2.gz AVTPQNCFAUGHHR-QFIPXVFZSA-N 1 0 406.530 3.010 50 0 HGAARO Cc1ccccc1C(=O)Nc1cnc(N2CC[NH2+]CC2)c(C(=O)N2CCCCCC2)c1 ZINC000065025360 569156259 /nfs/dbraw/zinc/15/62/59/569156259.db2.gz URNYEUSLCSZYAX-UHFFFAOYSA-N 1 0 421.545 3.068 50 0 HGAARO C[NH+](C)Cc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000006983485 569195816 /nfs/dbraw/zinc/19/58/16/569195816.db2.gz WEDCVMODUWUOLF-UHFFFAOYSA-N 1 0 423.538 3.479 50 0 HGAARO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000007005319 569198515 /nfs/dbraw/zinc/19/85/15/569198515.db2.gz DALFQDOQZRHVDI-UHFFFAOYSA-N 1 0 407.536 3.121 50 0 HGAARO C[NH+](C)CCn1nnc2cc(-c3noc(-c4ccccc4Br)n3)ccc21 ZINC000065254977 569207514 /nfs/dbraw/zinc/20/75/14/569207514.db2.gz IDIGKLYGPPFXAO-UHFFFAOYSA-N 1 0 413.279 3.472 50 0 HGAARO COc1ccccc1CNC(=O)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256219 569208181 /nfs/dbraw/zinc/20/81/81/569208181.db2.gz AZMCXODAGDHFOG-NRFANRHFSA-N 1 0 402.498 3.171 50 0 HGAARO COc1ccccc1CNC(=O)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000065256059 569208204 /nfs/dbraw/zinc/20/82/04/569208204.db2.gz OCLUMROCTJINSH-OAQYLSRUSA-N 1 0 402.498 3.171 50 0 HGAARO CCCC[NH+]1CCN(C(=O)CCC2CCN(c3cc(NCCC)ncn3)CC2)CC1 ZINC000065274179 569214983 /nfs/dbraw/zinc/21/49/83/569214983.db2.gz ZHVHETFOIUTJQC-UHFFFAOYSA-N 1 0 416.614 3.239 50 0 HGAARO CC1CCN(C(=O)c2cc3c(s2)CC[C@H](C(=O)NCC[NH+]2CCCCC2)C3)CC1 ZINC000065272640 569215844 /nfs/dbraw/zinc/21/58/44/569215844.db2.gz NQUZCSJIGKEAGS-SFHVURJKSA-N 1 0 417.619 3.327 50 0 HGAARO CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000036686621 569220402 /nfs/dbraw/zinc/22/04/02/569220402.db2.gz ZKEZKRZERTWFAN-UHFFFAOYSA-N 1 0 421.607 3.451 50 0 HGAARO COCC[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000065505303 569232983 /nfs/dbraw/zinc/23/29/83/569232983.db2.gz HVCHBEIWSQJAKX-INIZCTEOSA-N 1 0 409.368 3.345 50 0 HGAARO CC1(C)Oc2ccc(NC(=O)NCc3ccccc3C[N@@H+]3CCC[C@H]3CO)cc2O1 ZINC000170593779 569241313 /nfs/dbraw/zinc/24/13/13/569241313.db2.gz ATBQFAWLARIERC-IBGZPJMESA-N 1 0 411.502 3.472 50 0 HGAARO CC(C)(C)C(=O)N1CC[NH+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000170601572 569243138 /nfs/dbraw/zinc/24/31/38/569243138.db2.gz FGLDKZCFVWJWIJ-UHFFFAOYSA-N 1 0 401.551 3.226 50 0 HGAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000010219472 569253880 /nfs/dbraw/zinc/25/38/80/569253880.db2.gz GTADEWDEUHSWHI-GOSISDBHSA-N 1 0 421.497 3.045 50 0 HGAARO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)NCC1(c2ccccc2)CCC1 ZINC000089920317 569268840 /nfs/dbraw/zinc/26/88/40/569268840.db2.gz DRKLJUVPZCDKQZ-RTBURBONSA-N 1 0 415.578 3.460 50 0 HGAARO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)ncn1 ZINC000252501765 569291069 /nfs/dbraw/zinc/29/10/69/569291069.db2.gz UJRWJFGUCXMLNL-ZDUSSCGKSA-N 1 0 421.904 3.115 50 0 HGAARO CC(C)(C)OC[C@H](O)C[NH+]1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000252502972 569291157 /nfs/dbraw/zinc/29/11/57/569291157.db2.gz UWBXACWPVSKEFL-LJQANCHMSA-N 1 0 424.541 3.324 50 0 HGAARO O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000252538939 569293197 /nfs/dbraw/zinc/29/31/97/569293197.db2.gz NKDKMXLZFUVTDC-UHFFFAOYSA-N 1 0 420.497 3.016 50 0 HGAARO CCOCCC[N@@H+]1CC[C@H](N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)[C@@H](C)C1 ZINC000252551325 569294145 /nfs/dbraw/zinc/29/41/45/569294145.db2.gz UCENJBIKSGKDRS-LPHOPBHVSA-N 1 0 407.942 3.241 50 0 HGAARO COc1ccc(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)n(C)n2)cc1OC ZINC000252569037 569294269 /nfs/dbraw/zinc/29/42/69/569294269.db2.gz VUVUAKGBDKCXAB-MJGOQNOKSA-N 1 0 412.534 3.099 50 0 HGAARO COc1ccc(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)n(C)n2)cc1OC ZINC000252569036 569294298 /nfs/dbraw/zinc/29/42/98/569294298.db2.gz VUVUAKGBDKCXAB-IEBWSBKVSA-N 1 0 412.534 3.099 50 0 HGAARO C[NH+](C)C[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccccc1 ZINC000007817193 569312857 /nfs/dbraw/zinc/31/28/57/569312857.db2.gz ITSFHXQIETWVIC-JOCHJYFZSA-N 1 0 412.493 3.418 50 0 HGAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)C4CCCCC4)CC3)C2)CC1 ZINC000581820221 569321090 /nfs/dbraw/zinc/32/10/90/569321090.db2.gz YRYGBGZIWBKZAT-QFIPXVFZSA-N 1 0 405.627 3.381 50 0 HGAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1-n1cnc2ccccc2c1=O ZINC000253402067 569365749 /nfs/dbraw/zinc/36/57/49/569365749.db2.gz FZXYMWKDMRGFDF-XMSQKQJNSA-N 1 0 416.525 3.380 50 0 biogenic HGAARO C[NH+](C)CCCNC(=O)c1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4 ZINC000002440661 569400679 /nfs/dbraw/zinc/40/06/79/569400679.db2.gz WDBMLXLVXJYLFY-CYBMUJFWSA-N 1 0 414.579 3.172 50 0 HGAARO CCOC(=O)C1=C(C[N@H+](C)[C@H]2CCCc3ccccc32)NC(=O)N[C@@H]1c1ccco1 ZINC000027906405 569409480 /nfs/dbraw/zinc/40/94/80/569409480.db2.gz JVIBEVQYMAWWOF-GHTZIAJQSA-N 1 0 409.486 3.460 50 0 HGAARO CCCNC(=O)C1([NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)CCCCC1 ZINC000079023258 569424505 /nfs/dbraw/zinc/42/45/05/569424505.db2.gz RFCLNRXSTVORPS-IBGZPJMESA-N 1 0 414.575 3.167 50 0 HGAARO C[C@@H]1C[C@@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000079025243 569424781 /nfs/dbraw/zinc/42/47/81/569424781.db2.gz NORMPTKZHRTKHA-QUCCMNQESA-N 1 0 406.530 3.101 50 0 HGAARO O=S(=O)(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000079062414 569426374 /nfs/dbraw/zinc/42/63/74/569426374.db2.gz UULUFODTSGVLKE-UHFFFAOYSA-N 1 0 418.534 3.136 50 0 HGAARO O=S(=O)(NCc1ccccc1C[NH+]1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000008719558 571106393 /nfs/dbraw/zinc/10/63/93/571106393.db2.gz FZFAFDPRQSJWDT-UHFFFAOYSA-N 1 0 416.543 3.312 50 0 HGAARO COc1ccc(CNC(=O)c2ccc(N3CC[NH2+][C@@H](c4ccccc4)C3)nc2)cc1 ZINC000039229651 571121974 /nfs/dbraw/zinc/12/19/74/571121974.db2.gz NYJFZSWXSLEJAR-JOCHJYFZSA-N 1 0 402.498 3.171 50 0 HGAARO COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008893174 571143213 /nfs/dbraw/zinc/14/32/13/571143213.db2.gz RJFRCHFWUDXRGF-HXUWFJFHSA-N 1 0 415.559 3.106 50 0 HGAARO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1-n1cnnn1 ZINC000040079683 571154976 /nfs/dbraw/zinc/15/49/76/571154976.db2.gz IETKKJIRJSMMDG-UHFFFAOYSA-N 1 0 410.909 3.019 50 0 HGAARO Cc1ccc(-n2cnnc2SCC(=O)N2CC[NH+](CC(C)C)CC2)cc1Cl ZINC000040086784 571157346 /nfs/dbraw/zinc/15/73/46/571157346.db2.gz MFQOHXVMLQHJKV-UHFFFAOYSA-N 1 0 407.971 3.121 50 0 HGAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCN(C(=O)c4ccoc4)CC3)CC2)cc1 ZINC000040087012 571157647 /nfs/dbraw/zinc/15/76/47/571157647.db2.gz YOLXIVREJCCNSO-UHFFFAOYSA-N 1 0 409.530 3.175 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccsc1 ZINC000040089481 571159437 /nfs/dbraw/zinc/15/94/37/571159437.db2.gz CMCOUZWKSZPNGS-LPHOPBHVSA-N 1 0 403.548 3.393 50 0 HGAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000040106754 571167362 /nfs/dbraw/zinc/16/73/62/571167362.db2.gz GDSXYUIMBLKSDA-KRWDZBQOSA-N 1 0 415.559 3.363 50 0 HGAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 ZINC000040112353 571170552 /nfs/dbraw/zinc/17/05/52/571170552.db2.gz KPIAYDSUOSVHKF-SIKLNZKXSA-N 1 0 407.562 3.384 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000040118843 571175076 /nfs/dbraw/zinc/17/50/76/571175076.db2.gz UWQBFPCCFVXFSN-HOTGVXAUSA-N 1 0 424.383 3.053 50 0 HGAARO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000040146745 571196644 /nfs/dbraw/zinc/19/66/44/571196644.db2.gz SLNKXYIYIKMHSW-IYBDPMFKSA-N 1 0 402.539 3.091 50 0 HGAARO C[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C[NH+]1CCCCC1 ZINC000040157530 571204263 /nfs/dbraw/zinc/20/42/63/571204263.db2.gz HSHRCNJVLDUIPL-GOSISDBHSA-N 1 0 415.559 3.339 50 0 HGAARO Cc1c(C(=O)NC2CC2)nnn1-c1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000069899701 571248637 /nfs/dbraw/zinc/24/86/37/571248637.db2.gz FSMUKBPOGHSFDI-UHFFFAOYSA-N 1 0 405.477 3.165 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000009433719 571258610 /nfs/dbraw/zinc/25/86/10/571258610.db2.gz ZFSZSONWAIXUSI-SFHVURJKSA-N 1 0 405.498 3.213 50 0 HGAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000009492240 571262870 /nfs/dbraw/zinc/26/28/70/571262870.db2.gz VWWXCYKUPFVTLI-UHFFFAOYSA-N 1 0 411.331 3.409 50 0 HGAARO O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009503367 571263544 /nfs/dbraw/zinc/26/35/44/571263544.db2.gz GRDBWCUMSDKSEV-UHFFFAOYSA-N 1 0 408.531 3.048 50 0 HGAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Cn3c4ccccc4oc3=O)CC2)c1 ZINC000009688506 571280069 /nfs/dbraw/zinc/28/00/69/571280069.db2.gz LTVXWPSBBWOUQV-UHFFFAOYSA-N 1 0 407.514 3.240 50 0 HGAARO COc1ccc(Br)c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000070928782 571282113 /nfs/dbraw/zinc/28/21/13/571282113.db2.gz RTUIKXXRVWOCGG-UHFFFAOYSA-N 1 0 404.308 3.499 50 0 HGAARO CCOC(=O)N1CCN(C(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000071280415 571290658 /nfs/dbraw/zinc/29/06/58/571290658.db2.gz DFPPCHQSLAENPK-UHFFFAOYSA-N 1 0 407.514 3.009 50 0 HGAARO CC(C)Oc1ccc(CNC(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@]23c2ccccc2NC3=O)cc1 ZINC000020513424 571314625 /nfs/dbraw/zinc/31/46/25/571314625.db2.gz PBSJIQWVQCXEDT-IOZGHAEBSA-N 1 0 419.525 3.422 50 0 HGAARO C[C@]1(C(=O)NCc2ccccc2)CCC(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021776824 571314950 /nfs/dbraw/zinc/31/49/50/571314950.db2.gz REJKJXVYCSDQQA-RUZDIDTESA-N 1 0 405.542 3.349 50 0 HGAARO COc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1Br ZINC000001076138 132236645 /nfs/dbraw/zinc/23/66/45/132236645.db2.gz NQMDHKJXDLUUDE-UHFFFAOYSA-N 1 0 404.308 3.462 50 0 HGAARO COc1ccc(/C=C2\Sc3ccc(C(=O)NCC[NH+](C)C)cc3N(C)C2=O)cc1 ZINC000004931976 132294964 /nfs/dbraw/zinc/29/49/64/132294964.db2.gz WAEYXPAAJQSPOR-MOSHPQCFSA-N 1 0 411.527 3.096 50 0 HGAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc3c(c2)OCCO3)CC1 ZINC000006582965 132311917 /nfs/dbraw/zinc/31/19/17/132311917.db2.gz YARHGQRDCBMYTG-UHFFFAOYSA-N 1 0 401.894 3.044 50 0 HGAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000006700804 132313074 /nfs/dbraw/zinc/31/30/74/132313074.db2.gz OEKZOPHLIVRABY-UHFFFAOYSA-N 1 0 411.502 3.265 50 0 HGAARO Cc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCCC[NH+]2CCCC2)cc1C ZINC000006725105 132313920 /nfs/dbraw/zinc/31/39/20/132313920.db2.gz FTHGKAGVBXEJBN-DEOSSOPVSA-N 1 0 422.529 3.103 50 0 HGAARO Cc1nnc2c(NCCC[NH+]3CCN(c4ccccc4)CC3)nc3ccccc3n12 ZINC000006781841 132316052 /nfs/dbraw/zinc/31/60/52/132316052.db2.gz MQOPOTKRLWBFQY-UHFFFAOYSA-N 1 0 401.518 3.210 50 0 HGAARO Cc1ccc2onc(CNC(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)c2c1 ZINC000006866277 132319331 /nfs/dbraw/zinc/31/93/31/132319331.db2.gz GAJJVTDJUDJMHC-UHFFFAOYSA-N 1 0 407.518 3.148 50 0 HGAARO O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008097934 132327476 /nfs/dbraw/zinc/32/74/76/132327476.db2.gz RPOCRTCRZBRTQM-UHFFFAOYSA-N 1 0 410.481 3.292 50 0 HGAARO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(c2ncccn2)C1 ZINC000009530527 132340891 /nfs/dbraw/zinc/34/08/91/132340891.db2.gz URZRPGQWQMVCJO-QFIPXVFZSA-N 1 0 407.562 3.112 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)CCCNC(=O)c3ccsc3)cc2)CC1 ZINC000011948908 132352572 /nfs/dbraw/zinc/35/25/72/132352572.db2.gz GVQZIZZZCHCHJU-UHFFFAOYSA-N 1 0 400.548 3.039 50 0 HGAARO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)c4ccc(OC)cc4n3)CC2)CC1 ZINC000012034339 132353172 /nfs/dbraw/zinc/35/31/72/132353172.db2.gz RWFIBGUBPQFWMY-UHFFFAOYSA-N 1 0 412.534 3.191 50 0 HGAARO O=C(Cc1ccc(N2CCC([NH2+]C[C@@H]3CCCO3)CC2)cc1)NCc1ccccc1 ZINC000012242765 132357753 /nfs/dbraw/zinc/35/77/53/132357753.db2.gz LXDGTDZVKCJGGR-DEOSSOPVSA-N 1 0 407.558 3.283 50 0 HGAARO Cc1cc(C)nc(N2CCC(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000012574775 132364517 /nfs/dbraw/zinc/36/45/17/132364517.db2.gz DSQOCKVFRGGSFQ-QHCPKHFHSA-N 1 0 421.589 3.481 50 0 HGAARO CCOc1ccccc1NC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000021636590 132472656 /nfs/dbraw/zinc/47/26/56/132472656.db2.gz ZTOZWSHSXIBRBD-UHFFFAOYSA-N 1 0 411.531 3.403 50 0 HGAARO CC(C)=C1c2cc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)ccc2NC1=O ZINC000020577785 519394520 /nfs/dbraw/zinc/39/45/20/519394520.db2.gz JQDWOMIWEPVFBF-UHFFFAOYSA-N 1 0 403.548 3.071 50 0 HGAARO CC(C)Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 ZINC000020600758 519439204 /nfs/dbraw/zinc/43/92/04/519439204.db2.gz QQQPZUGIPGQYPX-UHFFFAOYSA-N 1 0 421.545 3.100 50 0 HGAARO CC(C)[NH+]1CCN(C(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 ZINC000032579015 519679583 /nfs/dbraw/zinc/67/95/83/519679583.db2.gz TVFGWYGSRVBUKB-UHFFFAOYSA-N 1 0 406.486 3.335 50 0 HGAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](C[C@H](O)COC)C[C@@H]1CCCO1 ZINC000036245898 520938358 /nfs/dbraw/zinc/93/83/58/520938358.db2.gz DQQDVKPTKXHOGV-PMACEKPBSA-N 1 0 417.550 3.176 50 0 HGAARO CCOc1ccc(N2C[C@H](C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2=O)cc1 ZINC000245225263 521042795 /nfs/dbraw/zinc/04/27/95/521042795.db2.gz QXHIVMDJNHJBNT-RTBURBONSA-N 1 0 401.551 3.209 50 0 HGAARO CCOC(=O)c1ccc(NC(=O)CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020458923 521491621 /nfs/dbraw/zinc/49/16/21/521491621.db2.gz XUAGZCVHOJFVGE-UHFFFAOYSA-N 1 0 409.530 3.400 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(F)c1 ZINC000032216828 522069092 /nfs/dbraw/zinc/06/90/92/522069092.db2.gz WRNKSXYZYGVSLO-OAQYLSRUSA-N 1 0 412.509 3.489 50 0 HGAARO CCc1ccc([C@H](CNC(=O)COc2ccc(N3CCCC3=O)cc2)[NH+](C)C)cc1 ZINC000032733940 524049046 /nfs/dbraw/zinc/04/90/46/524049046.db2.gz VLDHYTYMSHMQSM-QFIPXVFZSA-N 1 0 409.530 3.174 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000032930733 524095749 /nfs/dbraw/zinc/09/57/49/524095749.db2.gz MMMFEDLPTPFDHV-FQEVSTJZSA-N 1 0 407.558 3.284 50 0 HGAARO Cc1ccc(CCC2CC[NH+](CC(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000032858133 524304040 /nfs/dbraw/zinc/30/40/40/524304040.db2.gz MCZCQLIMQJVDEN-UHFFFAOYSA-N 1 0 406.574 3.383 50 0 HGAARO Cc1cc(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)oc1C ZINC000020598432 524683940 /nfs/dbraw/zinc/68/39/40/524683940.db2.gz DBIWBZFJXPDZHZ-OAQYLSRUSA-N 1 0 411.546 3.407 50 0 HGAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCN3CC[NH+](C)CC3)cc12 ZINC000020597576 525685541 /nfs/dbraw/zinc/68/55/41/525685541.db2.gz SBRLQPMPUWEYKX-UHFFFAOYSA-N 1 0 404.558 3.284 50 0 HGAARO Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCC([NH+]4CCCCC4)CC3)n2)cc1 ZINC000041252806 525745063 /nfs/dbraw/zinc/74/50/63/525745063.db2.gz FKHKKFPBRGRJCZ-UHFFFAOYSA-N 1 0 408.546 3.086 50 0 HGAARO CSc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CC2=O)cc1 ZINC000032730851 526023181 /nfs/dbraw/zinc/02/31/81/526023181.db2.gz ZVOWKENQCALEFI-JXFKEZNVSA-N 1 0 415.534 3.320 50 0 HGAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000032779891 526492756 /nfs/dbraw/zinc/49/27/56/526492756.db2.gz BUKYQWMKLBWKAX-IBGZPJMESA-N 1 0 413.953 3.300 50 0 HGAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000032761041 526579610 /nfs/dbraw/zinc/57/96/10/526579610.db2.gz HEEBDMZPIRANIR-YLJYHZDGSA-N 1 0 413.953 3.300 50 0 HGAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)cc2)CC1 ZINC000010237663 536423336 /nfs/dbraw/zinc/42/33/36/536423336.db2.gz TZJUCSLDBMEMIX-UHFFFAOYSA-N 1 0 401.894 3.044 50 0 HGAARO COc1ccccc1[C@@H]1[C@H](C(=O)NCC[NH+](C)C)CCC(=O)N1c1ccc(C)cc1 ZINC000007987381 537105315 /nfs/dbraw/zinc/10/53/15/537105315.db2.gz NNDOECCHAVBTMV-NFBKMPQASA-N 1 0 409.530 3.166 50 0 HGAARO O=C(Nc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)nc1)c1ccc(F)cc1 ZINC000034667918 557361307 /nfs/dbraw/zinc/36/13/07/557361307.db2.gz NIFBNHSMVQQPSM-QFIPXVFZSA-N 1 0 420.488 3.329 50 0 HGAARO CC[NH+](CC)CCCNC(=O)c1cc2cc(Br)cc(OC)c2oc1=O ZINC000002865594 557411829 /nfs/dbraw/zinc/41/18/29/557411829.db2.gz WEBFNYWTZJVATB-UHFFFAOYSA-N 1 0 411.296 3.026 50 0 HGAARO O=C(Cc1ccccc1)N1C[C@@H](C(=O)NCC[NH+]2CCCC2)C[C@@H](c2ccccc2)C1 ZINC000034738222 557447759 /nfs/dbraw/zinc/44/77/59/557447759.db2.gz SEDHYZBJEMBNIK-RPWUZVMVSA-N 1 0 419.569 3.073 50 0 HGAARO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000003830842 557499122 /nfs/dbraw/zinc/49/91/22/557499122.db2.gz DJBNUMBKLMJRSA-NSHDSACASA-N 1 0 414.346 3.441 50 0 fda HGAARO CCOc1ccc(Br)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004489141 557559446 /nfs/dbraw/zinc/55/94/46/557559446.db2.gz ZDIZSFJXURXCSK-UHFFFAOYSA-N 1 0 419.385 3.435 50 0 HGAARO COc1ccc(OC)c(NC(=O)CC[N@H+](C)CCc2ccc(OC)c(OC)c2)c1 ZINC000004725203 557587094 /nfs/dbraw/zinc/58/70/94/557587094.db2.gz XBQGTYRWBYEPQK-UHFFFAOYSA-N 1 0 402.491 3.224 50 0 HGAARO COc1cc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)cc(OC)c1OC ZINC000004725464 557587263 /nfs/dbraw/zinc/58/72/63/557587263.db2.gz HFNCTJPBFMFIRG-UHFFFAOYSA-N 1 0 412.530 3.283 50 0 HGAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2Br)N2CC[NH+](C)CC2)cc1 ZINC000022794917 557822280 /nfs/dbraw/zinc/82/22/80/557822280.db2.gz IAWOSJOBWVJLKG-HXUWFJFHSA-N 1 0 416.363 3.476 50 0 HGAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000009576278 557845981 /nfs/dbraw/zinc/84/59/81/557845981.db2.gz DLZQVILUBWTUOJ-UHFFFAOYSA-N 1 0 407.470 3.347 50 0 HGAARO CN(c1ccccc1C(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000010278664 557858154 /nfs/dbraw/zinc/85/81/54/557858154.db2.gz QJMRAMJGUNEHIF-UHFFFAOYSA-N 1 0 415.559 3.118 50 0 HGAARO c1ccc(CC[N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000019744631 558265157 /nfs/dbraw/zinc/26/51/57/558265157.db2.gz YDAQLLXUYXEECB-QHCPKHFHSA-N 1 0 407.558 3.240 50 0 HGAARO CC(C)CC(=O)N1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000011714670 558271682 /nfs/dbraw/zinc/27/16/82/558271682.db2.gz KTENEKWQWIVCNC-UHFFFAOYSA-N 1 0 409.958 3.047 50 0 HGAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@@H]2CCC(=O)N2)C2CCCC2)CC1 ZINC000011843017 558287970 /nfs/dbraw/zinc/28/79/70/558287970.db2.gz VRQPAZPRFRGYNC-QHCPKHFHSA-N 1 0 411.590 3.299 50 0 HGAARO COc1ccc(/C=C/C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000011869762 558290092 /nfs/dbraw/zinc/29/00/92/558290092.db2.gz JMFWMFMHLHLKFD-LYSGITKLSA-N 1 0 411.550 3.082 50 0 HGAARO C[C@@H](CC[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccn(C)n3)O2)CC1)c1ccccc1 ZINC000011872305 558290471 /nfs/dbraw/zinc/29/04/71/558290471.db2.gz KEXOPHKQGXJACL-FPOVZHCZSA-N 1 0 410.562 3.357 50 0 HGAARO CCc1ccc(CN(C)Cc2ccc(OC[C@@H](O)C[N@H+](C)C(C)C)c(OC)c2)nc1 ZINC000011874205 558291886 /nfs/dbraw/zinc/29/18/86/558291886.db2.gz VTTXERGMIROCGG-QFIPXVFZSA-N 1 0 415.578 3.365 50 0 HGAARO O=C(NCC[N@H+]1CCC[C@H](O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000011874265 558291944 /nfs/dbraw/zinc/29/19/44/558291944.db2.gz OVWWZEACKPOGKE-FQEVSTJZSA-N 1 0 407.514 3.190 50 0 HGAARO CN(C(=O)CC[C@@H]1CCCN(C(=O)Cc2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000011878314 558292807 /nfs/dbraw/zinc/29/28/07/558292807.db2.gz GXMLOFYFWYEXOJ-SFHVURJKSA-N 1 0 419.997 3.454 50 0 HGAARO CC[NH+]1CCN(CCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)CC1 ZINC000019902609 558305650 /nfs/dbraw/zinc/30/56/50/558305650.db2.gz QITLIIUNRNKWTR-UHFFFAOYSA-N 1 0 401.532 3.168 50 0 HGAARO O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000012035907 558311917 /nfs/dbraw/zinc/31/19/17/558311917.db2.gz AUUDUQUZUZVSON-DYESRHJHSA-N 1 0 411.571 3.442 50 0 HGAARO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)Cc3cscn3)CC2)cc1OC ZINC000012039200 558312613 /nfs/dbraw/zinc/31/26/13/558312613.db2.gz WESJBXDOOMVXID-SFHVURJKSA-N 1 0 415.559 3.421 50 0 HGAARO C[C@H](C[N@H+]1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1)c1ccccc1 ZINC000012040872 558312846 /nfs/dbraw/zinc/31/28/46/558312846.db2.gz KKMJOBBWROTAPV-GOSISDBHSA-N 1 0 421.520 3.052 50 0 HGAARO COc1ccc(COC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000020109659 558334818 /nfs/dbraw/zinc/33/48/18/558334818.db2.gz NMSVDAUDNGYHLW-HXUWFJFHSA-N 1 0 420.937 3.057 50 0 HGAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccccc2)N1Cc1ccc(-n2cccn2)cc1 ZINC000012149232 558338587 /nfs/dbraw/zinc/33/85/87/558338587.db2.gz WTSGXVDMMGJVIY-NRFANRHFSA-N 1 0 404.514 3.422 50 0 HGAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2[C@H](C)CCCC(C)(C)O)cc1 ZINC000012185583 558344928 /nfs/dbraw/zinc/34/49/28/558344928.db2.gz HTXXBHYBANHZCM-XLIONFOSSA-N 1 0 404.551 3.274 50 0 HGAARO O=C1C[C@@H](c2ccc(Cl)cc2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000020218624 558348452 /nfs/dbraw/zinc/34/84/52/558348452.db2.gz NBBYHVVEXVSNGZ-VXSCBNMQSA-N 1 0 420.900 3.302 50 0 HGAARO COc1ccccc1/C=C/C[N@H+]1CCc2nnc([C@H](CC(C)C)NC(C)=O)n2CC1 ZINC000012211673 558354120 /nfs/dbraw/zinc/35/41/20/558354120.db2.gz DXHGZGUEQIUGBM-JCOOBLOPSA-N 1 0 411.550 3.082 50 0 HGAARO CC(C)C(=O)NC[C@H]1CCC2(CC[NH+](C[C@H](C)Cc3ccc4c(c3)OCO4)CC2)O1 ZINC000012245848 558361701 /nfs/dbraw/zinc/36/17/01/558361701.db2.gz SVUBMDQQQXWQFY-UYAOXDASSA-N 1 0 416.562 3.380 50 0 HGAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012385714 558394852 /nfs/dbraw/zinc/39/48/52/558394852.db2.gz TUIPFHWJBFNXSB-JOCHJYFZSA-N 1 0 423.532 3.477 50 0 HGAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012385951 558394874 /nfs/dbraw/zinc/39/48/74/558394874.db2.gz LAIPLXGOWMRNBF-UHFFFAOYSA-N 1 0 424.541 3.493 50 0 HGAARO COc1cc(CN2CCSCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012387412 558396138 /nfs/dbraw/zinc/39/61/38/558396138.db2.gz ZFHZYSRKLULEGP-FQEVSTJZSA-N 1 0 408.608 3.248 50 0 HGAARO CCc1c(C(=O)N2CCc3ccccc3C2)c(=O)cc(C)n1C[C@@H]1CCC[N@H+]1CC ZINC000012452910 558416336 /nfs/dbraw/zinc/41/63/36/558416336.db2.gz HRDSZBIFMOAHDK-NRFANRHFSA-N 1 0 407.558 3.402 50 0 HGAARO CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CC1 ZINC000012458336 558418230 /nfs/dbraw/zinc/41/82/30/558418230.db2.gz VMEXWQIBMGXHQP-UHFFFAOYSA-N 1 0 409.933 3.320 50 0 HGAARO Cn1nccc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012459142 558418759 /nfs/dbraw/zinc/41/87/59/558418759.db2.gz DEPCJQHIDFUCSH-HXUWFJFHSA-N 1 0 414.525 3.093 50 0 HGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3cccc4nonc43)C2)cc1OC ZINC000020995108 558426442 /nfs/dbraw/zinc/42/64/42/558426442.db2.gz GKNPARBTCOSPOR-LJQANCHMSA-N 1 0 410.518 3.379 50 0 HGAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)CC1 ZINC000020998816 558427939 /nfs/dbraw/zinc/42/79/39/558427939.db2.gz GMITWXVQCDFGJM-FQEVSTJZSA-N 1 0 418.557 3.033 50 0 HGAARO Cc1nn(C)cc1CN(C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012583311 558433389 /nfs/dbraw/zinc/43/33/89/558433389.db2.gz HHKZLKKJFGKLDV-HSZRJFAPSA-N 1 0 414.594 3.365 50 0 HGAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)Cn2nc3ccccc3n2)C1 ZINC000012594358 558436811 /nfs/dbraw/zinc/43/68/11/558436811.db2.gz PCXKDQICSIUTTC-FQEVSTJZSA-N 1 0 405.546 3.153 50 0 HGAARO Cc1nonc1CN(C)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012613316 558439285 /nfs/dbraw/zinc/43/92/85/558439285.db2.gz LICQFMRGUYLJRX-HXUWFJFHSA-N 1 0 402.539 3.014 50 0 HGAARO COC(=O)CN(C)C(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012744911 558457920 /nfs/dbraw/zinc/45/79/20/558457920.db2.gz KQKSCOGFYARIAO-UHFFFAOYSA-N 1 0 408.926 3.371 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)CCCNC(=O)c3ccsc3)c(C)c2)CC1 ZINC000012790577 558465117 /nfs/dbraw/zinc/46/51/17/558465117.db2.gz GJCCFMGHHCYHMP-UHFFFAOYSA-N 1 0 414.575 3.347 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(OC)c2c(c1)OCCO2)c1cccc(OC)c1 ZINC000022700629 558505467 /nfs/dbraw/zinc/50/54/67/558505467.db2.gz RSFMXDQTAYZRKL-IBGZPJMESA-N 1 0 414.502 3.288 50 0 HGAARO CCn1c(C[NH2+][C@@H](C)c2ccccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013039871 558506297 /nfs/dbraw/zinc/50/62/97/558506297.db2.gz KGVWLFXZNNCSKE-INIZCTEOSA-N 1 0 400.548 3.466 50 0 HGAARO COc1ccccc1CCNC(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022790467 558511862 /nfs/dbraw/zinc/51/18/62/558511862.db2.gz QECDPCMHROKSPF-UHFFFAOYSA-N 1 0 417.553 3.325 50 0 HGAARO C[C@@H](C(=O)NC[C@H]1CCCO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022802934 558513261 /nfs/dbraw/zinc/51/32/61/558513261.db2.gz PEJQQWSGFYYBAL-NZQKXSOJSA-N 1 0 407.558 3.077 50 0 HGAARO COC(=O)c1ccc(C)c(NC(=O)CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000022836999 558516086 /nfs/dbraw/zinc/51/60/86/558516086.db2.gz XEPDVRHBOHROIG-UHFFFAOYSA-N 1 0 413.493 3.067 50 0 HGAARO COc1cc(-c2n[nH]cc2C[N@H+](CCN(C)C)C2CCCC2)cc(OC)c1OC ZINC000022914005 558520892 /nfs/dbraw/zinc/52/08/92/558520892.db2.gz PZBDQNCSSWRLPM-UHFFFAOYSA-N 1 0 402.539 3.409 50 0 HGAARO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000022930452 558524186 /nfs/dbraw/zinc/52/41/86/558524186.db2.gz QZHALJMTSGDTLW-MRXNPFEDSA-N 1 0 411.493 3.240 50 0 HGAARO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](C(C)C)[NH+](C)C)c2)cc1 ZINC000023098512 558534369 /nfs/dbraw/zinc/53/43/69/558534369.db2.gz REBRXFFBOZVICC-FQEVSTJZSA-N 1 0 403.548 3.112 50 0 HGAARO COCC[NH+]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000023359990 558551755 /nfs/dbraw/zinc/55/17/55/558551755.db2.gz LIIFFKZAVKUPSJ-UHFFFAOYSA-N 1 0 420.513 3.032 50 0 HGAARO O=C(COc1cccc(N2CCCC2=O)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023741010 558573043 /nfs/dbraw/zinc/57/30/43/558573043.db2.gz XQANQWSZAKKRQV-QFIPXVFZSA-N 1 0 407.514 3.146 50 0 HGAARO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000024541247 558600785 /nfs/dbraw/zinc/60/07/85/558600785.db2.gz BTEGXLJSVFJXIS-QFIPXVFZSA-N 1 0 424.541 3.047 50 0 HGAARO CCc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cnn1-c1cccc(Cl)c1 ZINC000024745065 558609237 /nfs/dbraw/zinc/60/92/37/558609237.db2.gz LCPXFEKLMBLOQO-UHFFFAOYSA-N 1 0 424.936 3.487 50 0 HGAARO COc1cc2cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)[nH]c2c(OC)c1 ZINC000024839049 558616590 /nfs/dbraw/zinc/61/65/90/558616590.db2.gz NHTPOMRMCJCJGM-UHFFFAOYSA-N 1 0 408.502 3.498 50 0 HGAARO Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000014095058 558619746 /nfs/dbraw/zinc/61/97/46/558619746.db2.gz QRXKRTHDQXAVOF-UHFFFAOYSA-N 1 0 415.559 3.206 50 0 HGAARO Cc1nn(C)c2nc(C)c(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c(C)c12 ZINC000024969885 558623103 /nfs/dbraw/zinc/62/31/03/558623103.db2.gz ZICDVDAHKNXIOS-HXUWFJFHSA-N 1 0 405.546 3.217 50 0 HGAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](C/C=C/c3ccco3)CC2)C1=O ZINC000014542835 558660548 /nfs/dbraw/zinc/66/05/48/558660548.db2.gz CJJLTWLCWBKRIZ-WEVVVXLNSA-N 1 0 423.513 3.238 50 0 HGAARO CN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000014740406 558666438 /nfs/dbraw/zinc/66/64/38/558666438.db2.gz GDQRMGKPHJQNRY-UHFFFAOYSA-N 1 0 404.470 3.257 50 0 HGAARO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC(C)C)C[N@@H+](Cc3ccc(O)cc3)C2)cn1 ZINC000014744182 558668304 /nfs/dbraw/zinc/66/83/04/558668304.db2.gz LWBLHMUROIZPGP-LEWJYISDSA-N 1 0 411.546 3.385 50 0 HGAARO CSc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)cc1 ZINC000014744934 558668632 /nfs/dbraw/zinc/66/86/32/558668632.db2.gz UWGHMPHWHVBTAQ-UHFFFAOYSA-N 1 0 410.543 3.232 50 0 HGAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)o1 ZINC000014749031 558670132 /nfs/dbraw/zinc/67/01/32/558670132.db2.gz YAXKFUWGMNAOIJ-KRWDZBQOSA-N 1 0 410.518 3.405 50 0 HGAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000014748878 558670253 /nfs/dbraw/zinc/67/02/53/558670253.db2.gz XNKCOEGIXCTIHG-NRFANRHFSA-N 1 0 410.562 3.489 50 0 HGAARO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+]([C@@H]3CCSC3)CC2)C1=O ZINC000014755151 558671743 /nfs/dbraw/zinc/67/17/43/558671743.db2.gz MUJXCAWXFHNKNI-LJQANCHMSA-N 1 0 401.576 3.242 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1Cl ZINC000027578662 558675592 /nfs/dbraw/zinc/67/55/92/558675592.db2.gz OLKLUYYZXGGHCV-FQEVSTJZSA-N 1 0 412.921 3.249 50 0 HGAARO C[N@H+](CCc1ccccn1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014881580 558676079 /nfs/dbraw/zinc/67/60/79/558676079.db2.gz SBUXMWIIYDWXBD-QHCPKHFHSA-N 1 0 416.525 3.252 50 0 HGAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NCCc3ccncc3)CC2)CC1 ZINC000014978899 558690479 /nfs/dbraw/zinc/69/04/79/558690479.db2.gz QNRUEHQWXCLJET-UHFFFAOYSA-N 1 0 420.601 3.425 50 0 HGAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(N2CCNC2=O)c(C)c1)[NH+]1CCCC1 ZINC000072272994 558692967 /nfs/dbraw/zinc/69/29/67/558692967.db2.gz VSWKFGJRDXABBB-OAQYLSRUSA-N 1 0 422.529 3.100 50 0 HGAARO CN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000015064856 558707764 /nfs/dbraw/zinc/70/77/64/558707764.db2.gz QIJFHFKPQQNKMC-JOCHJYFZSA-N 1 0 406.574 3.417 50 0 HGAARO COc1cc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cc(Cl)c1O ZINC000015076022 558716594 /nfs/dbraw/zinc/71/65/94/558716594.db2.gz ZICSRKVKEQBJPE-QGZVFWFLSA-N 1 0 410.942 3.342 50 0 HGAARO CCOC[C@@H](O)CNC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000015079170 558718115 /nfs/dbraw/zinc/71/81/15/558718115.db2.gz QXTUWUISPPLZHX-SFHVURJKSA-N 1 0 424.969 3.253 50 0 HGAARO c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000030666080 558735396 /nfs/dbraw/zinc/73/53/96/558735396.db2.gz BRLLBEUFWOPHSD-APWZRJJASA-N 1 0 413.543 3.383 50 0 HGAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(C)n2)CC1 ZINC000015778154 558752577 /nfs/dbraw/zinc/75/25/77/558752577.db2.gz OYYZMKMQFFZBGB-UHFFFAOYSA-N 1 0 409.412 3.078 50 0 HGAARO CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)C1 ZINC000033115227 558761322 /nfs/dbraw/zinc/76/13/22/558761322.db2.gz LURXJIBHSOLZMB-SFHVURJKSA-N 1 0 405.564 3.075 50 0 HGAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015990319 558765508 /nfs/dbraw/zinc/76/55/08/558765508.db2.gz ZZFPRVRWYARAIA-UGCAPWQASA-N 1 0 415.493 3.043 50 0 HGAARO CCOC(=O)c1c2c(sc1NC(=O)CN1CC[N@H+](C)CC13CCCCC3)CCC2 ZINC000072308918 558771602 /nfs/dbraw/zinc/77/16/02/558771602.db2.gz YCODTFVXBLKLEJ-UHFFFAOYSA-N 1 0 419.591 3.302 50 0 HGAARO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)sc2nc3n(c(=O)c12)CCC3 ZINC000016259406 558781493 /nfs/dbraw/zinc/78/14/93/558781493.db2.gz XMTFGSGYICKPGS-KRWDZBQOSA-N 1 0 422.554 3.280 50 0 HGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCCN(c4nccc(C)n4)C3)CC2)cc1 ZINC000035454293 558792064 /nfs/dbraw/zinc/79/20/64/558792064.db2.gz DVCUFBDSRQVVGV-QHCPKHFHSA-N 1 0 421.589 3.338 50 0 HGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)C3CCN(c4nccc(C)n4)CC3)CC2)cc1 ZINC000035454442 558792204 /nfs/dbraw/zinc/79/22/04/558792204.db2.gz BYAJCTIILDRVBX-UHFFFAOYSA-N 1 0 421.589 3.338 50 0 HGAARO O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016606576 558796583 /nfs/dbraw/zinc/79/65/83/558796583.db2.gz JIKUIGLOLMTYJV-OAQYLSRUSA-N 1 0 421.541 3.446 50 0 HGAARO COc1cc(CN2CC[N@H+](Cc3cn(C)c4ccccc34)C[C@H]2CCO)cc(OC)c1 ZINC000036379386 558799696 /nfs/dbraw/zinc/79/96/96/558799696.db2.gz LNDGNWCEDBSUPC-OAQYLSRUSA-N 1 0 423.557 3.264 50 0 HGAARO O=C(C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000039516208 558822031 /nfs/dbraw/zinc/82/20/31/558822031.db2.gz KGEGJFHITSQGAK-QHCPKHFHSA-N 1 0 405.542 3.022 50 0 HGAARO CCC[NH+]1CCN(C(=O)c2cccc(NC(=O)c3nnc(CC(C)C)s3)c2)CC1 ZINC000033022874 558838520 /nfs/dbraw/zinc/83/85/20/558838520.db2.gz AXCVHVGERBSGFS-UHFFFAOYSA-N 1 0 415.563 3.157 50 0 HGAARO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cccn2-c2cccnc2)C1 ZINC000019147096 558846772 /nfs/dbraw/zinc/84/67/72/558846772.db2.gz ZADSHUVCSUUFDS-NRFANRHFSA-N 1 0 424.570 3.204 50 0 HGAARO CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCC[NH+]3CCCCC3)C2)s1 ZINC000033078445 558867932 /nfs/dbraw/zinc/86/79/32/558867932.db2.gz PUWOSWFBMUBDGU-MRXNPFEDSA-N 1 0 401.580 3.072 50 0 HGAARO CCCC[N@H+](CC)CCCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1 ZINC000033039595 558868672 /nfs/dbraw/zinc/86/86/72/558868672.db2.gz RPHLXEJYGZCZKS-UHFFFAOYSA-N 1 0 404.584 3.171 50 0 HGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3ccc4nonc4c3)C2)cc1OC ZINC000019338846 558870895 /nfs/dbraw/zinc/87/08/95/558870895.db2.gz KTXZNGMLIQCMPE-IBGZPJMESA-N 1 0 410.518 3.379 50 0 HGAARO O=CNc1ccc2c(c1)N(C(=O)CCN1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1CC2 ZINC000019363059 558876581 /nfs/dbraw/zinc/87/65/81/558876581.db2.gz AIAKWXSQLVHIPC-JOCHJYFZSA-N 1 0 418.541 3.188 50 0 HGAARO CCn1c2ccccc2nc1SCC(=O)Nc1cnn(CC[NH+](CC)CC)c1 ZINC000058016522 558895433 /nfs/dbraw/zinc/89/54/33/558895433.db2.gz IKUHGGXMEVBBRG-UHFFFAOYSA-N 1 0 400.552 3.325 50 0 HGAARO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2ccc(C)c(F)c2)CC1 ZINC000004688359 558898826 /nfs/dbraw/zinc/89/88/26/558898826.db2.gz JLCAYFFSIPNURM-UHFFFAOYSA-N 1 0 410.559 3.315 50 0 HGAARO CCn1cnnc1-c1cccc(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000058265360 558915627 /nfs/dbraw/zinc/91/56/27/558915627.db2.gz ZCQULNFZEGIWIU-HXUWFJFHSA-N 1 0 408.506 3.398 50 0 HGAARO COCC[N@H+](C)C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000058364964 558921943 /nfs/dbraw/zinc/92/19/43/558921943.db2.gz HAQDVWBPEJDALO-LBPRGKRZSA-N 1 0 415.770 3.378 50 0 HGAARO COc1cc(OC)c(-c2c(-c3ccccc3)ncn2C[C@H]2C[NH2+]CCO2)cc1OC ZINC000065455657 558977621 /nfs/dbraw/zinc/97/76/21/558977621.db2.gz VCGUTDBEDWJRBG-QGZVFWFLSA-N 1 0 409.486 3.231 50 0 HGAARO C[C@@H]1CNC(=O)CC[N@@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072469440 558983376 /nfs/dbraw/zinc/98/33/76/558983376.db2.gz IJLFLFGUNPEJPQ-CQSZACIVSA-N 1 0 407.445 3.480 50 0 HGAARO COc1cc(CNCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc2c1OCCO2 ZINC000097002587 558987642 /nfs/dbraw/zinc/98/76/42/558987642.db2.gz DSWFZCRDDVWXDO-GOSISDBHSA-N 1 0 412.530 3.456 50 0 HGAARO COc1ccc(C)cc1NC(=O)N1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC000067621146 558989618 /nfs/dbraw/zinc/98/96/18/558989618.db2.gz GJMPEWGHRNFAKM-UHFFFAOYSA-N 1 0 410.522 3.056 50 0 HGAARO Cc1cc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000067630200 558990523 /nfs/dbraw/zinc/99/05/23/558990523.db2.gz DZPOHZHXVWPEIS-UHFFFAOYSA-N 1 0 402.449 3.018 50 0 HGAARO O=C(c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000077426677 559004839 /nfs/dbraw/zinc/00/48/39/559004839.db2.gz SAKDZWQIOOXCLT-KDURUIRLSA-N 1 0 408.546 3.010 50 0 HGAARO Cc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)c1 ZINC000082096811 559037578 /nfs/dbraw/zinc/03/75/78/559037578.db2.gz HKESFMXRYVETQP-JOCHJYFZSA-N 1 0 420.557 3.023 50 0 HGAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(CCCC(F)(F)F)CC2)C1 ZINC000082098176 559037848 /nfs/dbraw/zinc/03/78/48/559037848.db2.gz JBRXXALIHVHERH-KRWDZBQOSA-N 1 0 412.500 3.217 50 0 HGAARO O=C(NCc1nccs1)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082098828 559037906 /nfs/dbraw/zinc/03/79/06/559037906.db2.gz FNUFBQBFHLIIOP-FQEVSTJZSA-N 1 0 412.603 3.178 50 0 HGAARO CCC(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082099143 559037925 /nfs/dbraw/zinc/03/79/25/559037925.db2.gz ZZCFLXPJNWQNDG-OAQYLSRUSA-N 1 0 413.606 3.485 50 0 HGAARO Cc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082134668 559039985 /nfs/dbraw/zinc/03/99/85/559039985.db2.gz JDMSVLLIPXQLPD-NRFANRHFSA-N 1 0 410.562 3.018 50 0 HGAARO Cc1ccnc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)c1 ZINC000082128172 559039996 /nfs/dbraw/zinc/03/99/96/559039996.db2.gz GVJRZZDRGZSQTC-HSZRJFAPSA-N 1 0 420.601 3.425 50 0 HGAARO O=C(NCCc1ccco1)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082138854 559040667 /nfs/dbraw/zinc/04/06/67/559040667.db2.gz MYKVZVAKUWSHTC-JOCHJYFZSA-N 1 0 409.574 3.357 50 0 HGAARO Cc1nc2cc(OCc3nc(C(=O)NC[C@@]4(C)CC[N@@H+](C)C4)co3)ccc2s1 ZINC000091350837 559071224 /nfs/dbraw/zinc/07/12/24/559071224.db2.gz GMDWMXRQZURXTC-HXUWFJFHSA-N 1 0 400.504 3.243 50 0 HGAARO C[NH2+]CC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@H]1Cc1ccccc1 ZINC000091694492 559073130 /nfs/dbraw/zinc/07/31/30/559073130.db2.gz IMNQBBQRBZZHEG-JOCHJYFZSA-N 1 0 413.521 3.360 50 0 HGAARO C[NH+](C)CCN(C(=O)C(F)(F)F)c1ncc(C(F)(F)F)cc1Br ZINC000091695761 559073247 /nfs/dbraw/zinc/07/32/47/559073247.db2.gz MJOBNFRIHDWDQT-UHFFFAOYSA-N 1 0 408.140 3.320 50 0 HGAARO CN(c1ncccc1C(=O)N1CC[C@H]([NH+](C)C)[C@H](CCCO)C1)C1CCCCC1 ZINC000091849115 559074107 /nfs/dbraw/zinc/07/41/07/559074107.db2.gz PURPSNOVPKDOAL-NQIIRXRSSA-N 1 0 402.583 3.015 50 0 HGAARO O=C(CCc1cc(Cl)no1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095500259 559082109 /nfs/dbraw/zinc/08/21/09/559082109.db2.gz YDJXBHRGLHYSON-IOMROCGXSA-N 1 0 403.885 3.489 50 0 HGAARO O=C(c1ncc[nH]1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095511088 559083810 /nfs/dbraw/zinc/08/38/10/559083810.db2.gz KYKHOGBSDIKKBZ-IBGZPJMESA-N 1 0 400.498 3.082 50 0 HGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2C)CN1Cc1cccc(Cl)c1 ZINC000023359208 559173243 /nfs/dbraw/zinc/17/32/43/559173243.db2.gz GJAIRZCTPPALLH-SFTDATJTSA-N 1 0 415.965 3.444 50 0 HGAARO CC[NH+]1CCN([C@H](c2cccnc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000024022701 559187819 /nfs/dbraw/zinc/18/78/19/559187819.db2.gz FLWAYDPOWHVINF-XMMPIXPASA-N 1 0 418.541 3.033 50 0 HGAARO Cc1ccc(C2=NN(C(=O)CSc3nc(N)cc(N)[nH+]3)[C@H](c3ccco3)C2)cc1 ZINC000004894177 559198749 /nfs/dbraw/zinc/19/87/49/559198749.db2.gz UPKMWUIJOYVDIR-HNNXBMFYSA-N 1 0 408.487 3.012 50 0 HGAARO COC[C@@H]1CCN(C(=O)c2ccccc2OC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000011821589 559260625 /nfs/dbraw/zinc/26/06/25/559260625.db2.gz NHPOVKYACKZQGU-LJQANCHMSA-N 1 0 409.530 3.234 50 0 HGAARO COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000005215664 560543292 /nfs/dbraw/zinc/54/32/92/560543292.db2.gz XBOFVEGFULKZJD-FQEVSTJZSA-N 1 0 420.465 3.077 50 0 HGAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccccc2OC)N(CCC[NH+](C)C)C1=O ZINC000005347729 560570774 /nfs/dbraw/zinc/57/07/74/560570774.db2.gz BEZTYGHJXAEXDE-OAQYLSRUSA-N 1 0 422.481 3.307 50 0 HGAARO CC[C@]1(C2CC[NH+](CCC(C)C)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000012039004 560887716 /nfs/dbraw/zinc/88/77/16/560887716.db2.gz 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C[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C[NH+]1CCCC1 ZINC000047916775 568431506 /nfs/dbraw/zinc/43/15/06/568431506.db2.gz NZFRKUIPLIKEAM-INIZCTEOSA-N 1 0 419.522 3.088 50 0 HGAARO CC(=O)NCCc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000048303886 568436207 /nfs/dbraw/zinc/43/62/07/568436207.db2.gz XNBLSGIVHBWNPB-QFIPXVFZSA-N 1 0 421.541 3.083 50 0 HGAARO O=C(CCCNC(=O)NC1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000048332932 568439338 /nfs/dbraw/zinc/43/93/38/568439338.db2.gz SUTZTQUOTTXODS-UHFFFAOYSA-N 1 0 400.567 3.179 50 0 HGAARO Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000048333152 568439517 /nfs/dbraw/zinc/43/95/17/568439517.db2.gz SNGSBGXRTPPMAU-QGZVFWFLSA-N 1 0 424.526 3.230 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000048341326 568440371 /nfs/dbraw/zinc/44/03/71/568440371.db2.gz WDPRJRVCWYHJSM-HDICACEKSA-N 1 0 414.571 3.498 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2ncc3ccccc3c2=O)C1 ZINC000048342585 568440530 /nfs/dbraw/zinc/44/05/30/568440530.db2.gz GVVFWOHXPSSHQV-OALUTQOASA-N 1 0 418.541 3.191 50 0 HGAARO Cc1cc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)cc(S(=O)(=O)N(C)C)c1C ZINC000048366490 568441863 /nfs/dbraw/zinc/44/18/63/568441863.db2.gz CRULIJRTWOEMDR-UHFFFAOYSA-N 1 0 423.623 3.138 50 0 HGAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000048373854 568442230 /nfs/dbraw/zinc/44/22/30/568442230.db2.gz VNYHHEMEQAJUBU-UHFFFAOYSA-N 1 0 414.937 3.356 50 0 HGAARO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000021582667 568467386 /nfs/dbraw/zinc/46/73/86/568467386.db2.gz MGJMOSOSEXRDQM-IAGOWNOFSA-N 1 0 404.580 3.496 50 0 HGAARO CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCCC[NH+]3CCCCC3)C2)s1 ZINC000033078429 568511036 /nfs/dbraw/zinc/51/10/36/568511036.db2.gz VNAMNTIUOJFAQI-QGZVFWFLSA-N 1 0 415.607 3.462 50 0 HGAARO C=CC(=O)NCc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000261489599 568512183 /nfs/dbraw/zinc/51/21/83/568512183.db2.gz YPZMULKUINXMRG-ZJSXRUAMSA-N 1 0 421.541 3.310 50 0 HGAARO COc1ccccc1NC(=S)N(CCCN1CC[NH+](C)CC1)Cc1ccco1 ZINC000020107830 568588494 /nfs/dbraw/zinc/58/84/94/568588494.db2.gz CYVUGQSXIDPVSM-UHFFFAOYSA-N 1 0 402.564 3.125 50 0 HGAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000095373519 568603063 /nfs/dbraw/zinc/60/30/63/568603063.db2.gz HKPHTTBPOFZVSX-FDGPYGQJSA-N 1 0 413.606 3.316 50 0 HGAARO Cc1c([C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2n1C ZINC000020391298 568604040 /nfs/dbraw/zinc/60/40/40/568604040.db2.gz PYCPCFCXBYTRBO-OAQYLSRUSA-N 1 0 407.514 3.067 50 0 HGAARO C[C@@H](Oc1cccc(F)c1)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000095460109 568620046 /nfs/dbraw/zinc/62/00/46/568620046.db2.gz ZUWHBNVNZOKTMX-GOSISDBHSA-N 1 0 400.494 3.427 50 0 HGAARO O=C(C1CCN(CC(F)(F)F)CC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000225531550 568647959 /nfs/dbraw/zinc/64/79/59/568647959.db2.gz JBUGYMSNTHCTJB-UHFFFAOYSA-N 1 0 411.512 3.428 50 0 HGAARO COC(=O)C1CC[NH+](CCCNC(=O)Nc2ncc(-c3ccccc3)s2)CC1 ZINC000095955712 568669295 /nfs/dbraw/zinc/66/92/95/568669295.db2.gz QSZNAJKEFNVDTR-UHFFFAOYSA-N 1 0 402.520 3.207 50 0 HGAARO C[NH+](C)CCCn1cnc2cc(NC(=O)CCc3nc(-c4ccncc4)no3)ccc21 ZINC000096117578 568697020 /nfs/dbraw/zinc/69/70/20/568697020.db2.gz INWRLXBBEWRQOC-UHFFFAOYSA-N 1 0 419.489 3.004 50 0 HGAARO C[C@@H]1CN(Cc2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000229550541 568714723 /nfs/dbraw/zinc/71/47/23/568714723.db2.gz YFRVCXMULMTCAR-ROKPMTFOSA-N 1 0 407.558 3.300 50 0 HGAARO CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCC[NH+](CC)CC)c1C ZINC000002930735 568818345 /nfs/dbraw/zinc/81/83/45/568818345.db2.gz UQNKNFYWLTZDAW-UHFFFAOYSA-N 1 0 403.498 3.237 50 0 HGAARO CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CCCN(c3cnccn3)C2)c2cccs2)CC1 ZINC000029754324 568828955 /nfs/dbraw/zinc/82/89/55/568828955.db2.gz FZIWYLRRDCLRKB-OALUTQOASA-N 1 0 413.591 3.344 50 0 HGAARO C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCc2sccc2C1 ZINC000031663795 568837628 /nfs/dbraw/zinc/83/76/28/568837628.db2.gz PVEPWNGYLNRJRX-SFHVURJKSA-N 1 0 412.603 3.459 50 0 HGAARO O=C(CCOc1ccccc1)NC[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000299757751 568872925 /nfs/dbraw/zinc/87/29/25/568872925.db2.gz JIAPMZBVDNYXBT-JOCHJYFZSA-N 1 0 409.530 3.181 50 0 HGAARO COCc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)o1 ZINC000299773843 568874634 /nfs/dbraw/zinc/87/46/34/568874634.db2.gz FGCXPCLWLLPZGB-SFHVURJKSA-N 1 0 406.552 3.205 50 0 HGAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2cccs2)CC1 ZINC000299778092 568874768 /nfs/dbraw/zinc/87/47/68/568874768.db2.gz ODDDNDHSDCLQSV-IBGZPJMESA-N 1 0 404.507 3.158 50 0 HGAARO Cn1c2ccccc2c2c1c(=O)n(C)cc2C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000058019291 568877004 /nfs/dbraw/zinc/87/70/04/568877004.db2.gz DCHYAROXDMAXBL-UHFFFAOYSA-N 1 0 406.530 3.121 50 0 HGAARO CC[NH+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003657822 568923106 /nfs/dbraw/zinc/92/31/06/568923106.db2.gz KXHYPMZPRLGFQF-GOTSBHOMSA-N 1 0 423.557 3.454 50 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400.486 3.067 50 0 HGAARO CC[C@@H](C(=O)Nc1ccccc1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000241720928 569054839 /nfs/dbraw/zinc/05/48/39/569054839.db2.gz QTKSBTXSEFWZJH-APWZRJJASA-N 1 0 408.502 3.099 50 0 HGAARO CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241784842 569054901 /nfs/dbraw/zinc/05/49/01/569054901.db2.gz RXDYZRXTYFRVEF-VXKWHMMOSA-N 1 0 422.525 3.301 50 0 HGAARO CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871741 569064066 /nfs/dbraw/zinc/06/40/66/569064066.db2.gz XZKSEUOVYCDAFR-IFMALSPDSA-N 1 0 413.949 3.348 50 0 HGAARO COc1ccc(-c2nnc(SCC[NH2+]CCO)n2C2CCCCC2)cc1OC ZINC000006578692 569066996 /nfs/dbraw/zinc/06/69/96/569066996.db2.gz RYCZPRMXFGUDDL-UHFFFAOYSA-N 1 0 406.552 3.142 50 0 HGAARO COc1ccccc1CNC(=O)C[NH2+]CCSc1ccc(Br)cc1 ZINC000006602843 569070277 /nfs/dbraw/zinc/07/02/77/569070277.db2.gz RTYOYUNNJQAWNF-UHFFFAOYSA-N 1 0 409.349 3.456 50 0 HGAARO CC[N@H+](C)[C@@H](C)CCNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426599566 569073551 /nfs/dbraw/zinc/07/35/51/569073551.db2.gz LCINTPSDAUCYQF-AWEZNQCLSA-N 1 0 404.580 3.371 50 0 HGAARO COCCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000036095905 569090072 /nfs/dbraw/zinc/09/00/72/569090072.db2.gz OWVJMWKIZUKRPG-OAQYLSRUSA-N 1 0 403.519 3.120 50 0 HGAARO COc1cccc(C[N@H+]2CC=C(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000064818008 569101230 /nfs/dbraw/zinc/10/12/30/569101230.db2.gz NVHYIBPDEKEXFA-UHFFFAOYSA-N 1 0 407.514 3.303 50 0 HGAARO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)CC ZINC000006730315 569102949 /nfs/dbraw/zinc/10/29/49/569102949.db2.gz WXLZCHOOJRJJCG-QGZVFWFLSA-N 1 0 409.596 3.165 50 0 HGAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000064872915 569113798 /nfs/dbraw/zinc/11/37/98/569113798.db2.gz IJZPJKVEBLBDMT-UHFFFAOYSA-N 1 0 413.541 3.347 50 0 HGAARO Cc1c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006840947 569151412 /nfs/dbraw/zinc/15/14/12/569151412.db2.gz AXQJRMRQBZKVNI-UHFFFAOYSA-N 1 0 424.570 3.355 50 0 HGAARO Cc1c(C(=O)NCC[NH+]2CCCCCC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840736 569151523 /nfs/dbraw/zinc/15/15/23/569151523.db2.gz SSSBMVLYUADURU-UHFFFAOYSA-N 1 0 402.564 3.099 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000006841340 569151844 /nfs/dbraw/zinc/15/18/44/569151844.db2.gz IKKNCWJQIJMOKO-OAHLLOKOSA-N 1 0 402.564 3.097 50 0 HGAARO CCCCN(CC)C(=O)c1cc(NC(=O)c2ccccc2C)cnc1N1CC[NH2+]CC1 ZINC000065025362 569156333 /nfs/dbraw/zinc/15/63/33/569156333.db2.gz OUMJZKWXJKFKBT-UHFFFAOYSA-N 1 0 423.561 3.314 50 0 HGAARO Cc1ccc(C(=O)Nc2nccnc2C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000065228522 569200781 /nfs/dbraw/zinc/20/07/81/569200781.db2.gz RYNZZZNBDBNKNV-UHFFFAOYSA-N 1 0 407.518 3.128 50 0 HGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1 ZINC000007030625 569201660 /nfs/dbraw/zinc/20/16/60/569201660.db2.gz LRHSQZGSKYBTQM-NRFANRHFSA-N 1 0 406.453 3.380 50 0 HGAARO Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c12 ZINC000036616374 569207506 /nfs/dbraw/zinc/20/75/06/569207506.db2.gz CEYSAWSPZXKTFY-IHWFROFDSA-N 1 0 403.530 3.451 50 0 HGAARO O=C(c1cc2c(s1)CC[C@@H](C(=O)N1CC[NH+](C3CCCC3)CC1)C2)N1CCCC1 ZINC000065272953 569215978 /nfs/dbraw/zinc/21/59/78/569215978.db2.gz YXBJQQZOILXTIC-QGZVFWFLSA-N 1 0 415.603 3.176 50 0 HGAARO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009883887 569251491 /nfs/dbraw/zinc/25/14/91/569251491.db2.gz VFWHSFBQDNSLRV-INIZCTEOSA-N 1 0 421.497 3.044 50 0 HGAARO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009883888 569251558 /nfs/dbraw/zinc/25/15/58/569251558.db2.gz VFWHSFBQDNSLRV-MRXNPFEDSA-N 1 0 421.497 3.044 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(NC[C@@H]2CCCO2)n1 ZINC000071286033 569252291 /nfs/dbraw/zinc/25/22/91/569252291.db2.gz KADUGNOZAIBAQT-SFHVURJKSA-N 1 0 400.548 3.128 50 0 HGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(I)c1 ZINC000014602428 569260542 /nfs/dbraw/zinc/26/05/42/569260542.db2.gz ZTINVCNTDPUGFZ-KRWDZBQOSA-N 1 0 406.267 3.296 50 0 HGAARO O[C@H](COCc1cccs1)C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000089774528 569263804 /nfs/dbraw/zinc/26/38/04/569263804.db2.gz KRLFBOVKRHFLTK-RYRKJORJSA-N 1 0 401.450 3.452 50 0 HGAARO COCCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2OC)[NH+]2CCCCC2)c1=O ZINC000016993358 569270866 /nfs/dbraw/zinc/27/08/66/569270866.db2.gz FXRHDBYYKUBHFO-QFIPXVFZSA-N 1 0 416.518 3.101 50 0 HGAARO COCCn1c(C)cc(O)c([C@H](c2ccc(OC)c(OC)c2)[NH+]2CCCCC2)c1=O ZINC000016993336 569270913 /nfs/dbraw/zinc/27/09/13/569270913.db2.gz KKCOYIQDKIYXSY-QFIPXVFZSA-N 1 0 416.518 3.101 50 0 HGAARO O=C([C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1)N1CCCC1 ZINC000014744034 569271836 /nfs/dbraw/zinc/27/18/36/569271836.db2.gz GVKVMRZTGHLIIS-RCZVLFRGSA-N 1 0 421.585 3.233 50 0 HGAARO C[NH+]1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037359700 569283404 /nfs/dbraw/zinc/28/34/04/569283404.db2.gz GBLBGUIPIAAHFC-UHFFFAOYSA-N 1 0 417.492 3.015 50 0 HGAARO COc1cccc(N2CC[NH+](C3CCN(C[C@@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000252492658 569290612 /nfs/dbraw/zinc/29/06/12/569290612.db2.gz MRSRAUYUHDOUKR-HSZRJFAPSA-N 1 0 423.557 3.122 50 0 HGAARO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000007782000 569310063 /nfs/dbraw/zinc/31/00/63/569310063.db2.gz OWLQTJSNOUDIDG-UHFFFAOYSA-N 1 0 401.532 3.326 50 0 HGAARO CC(C)[NH+](CCNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)C(C)C ZINC000007800521 569311066 /nfs/dbraw/zinc/31/10/66/569311066.db2.gz GSVHBYKTVDOSEM-UHFFFAOYSA-N 1 0 406.530 3.293 50 0 HGAARO O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850151 569314655 /nfs/dbraw/zinc/31/46/55/569314655.db2.gz AYVXLMUIMNCBIP-UHFFFAOYSA-N 1 0 419.525 3.365 50 0 HGAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4cccc5[nH]ccc54)CC3)C2)CC1 ZINC000581820100 569320887 /nfs/dbraw/zinc/32/08/87/569320887.db2.gz QWZNYXPYKQPKJP-HXUWFJFHSA-N 1 0 424.589 3.348 50 0 HGAARO O=c1c2c3c(sc2n(CC[NH+]2CCCC2)c(=O)n1Cc1ccco1)CCCCC3 ZINC000002326752 569375475 /nfs/dbraw/zinc/37/54/75/569375475.db2.gz WKFKCGKWWICLCM-UHFFFAOYSA-N 1 0 413.543 3.231 50 0 aggregator HGAARO C[C@@H]1[C@H]2CC[C@@]3(O)[C@@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@@]5(C)[C@H]4C[C@H]3[C@@H]2C[N@@H+]2CCCC[C@@H]12 ZINC000253487501 569381607 /nfs/dbraw/zinc/38/16/07/569381607.db2.gz LENMDDFRAPDCRB-KKMDYWBDSA-N 1 0 417.634 3.432 50 0 HGAARO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013062938 569408406 /nfs/dbraw/zinc/40/84/06/569408406.db2.gz WOVUWEXTIHITJF-KSZLIROESA-N 1 0 407.580 3.166 50 0 HGAARO CC(C)=C[C@H]1[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1(C)C ZINC000078714440 569419891 /nfs/dbraw/zinc/41/98/91/569419891.db2.gz WJNORECRZSHEOY-LEWJYISDSA-N 1 0 403.611 3.456 50 0 HGAARO CC(=O)Nc1cc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C ZINC000079022395 569424479 /nfs/dbraw/zinc/42/44/79/569424479.db2.gz NHCJYOOQAJHWBR-QZTJIDSGSA-N 1 0 401.551 3.305 50 0 HGAARO COCCN(CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000079024583 569424771 /nfs/dbraw/zinc/42/47/71/569424771.db2.gz VBXPKKYANUBTPK-AZUAARDMSA-N 1 0 419.566 3.039 50 0 HGAARO Cc1ccc(C)c(S(=O)(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000079062430 569426450 /nfs/dbraw/zinc/42/64/50/569426450.db2.gz HSLFFPVWEBISRJ-UHFFFAOYSA-N 1 0 406.523 3.264 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000079495093 569432698 /nfs/dbraw/zinc/43/26/98/569432698.db2.gz RURJAEFHQNPQHP-GOSISDBHSA-N 1 0 413.953 3.127 50 0 HGAARO C[NH+](C)Cc1ccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 ZINC000040018248 571139156 /nfs/dbraw/zinc/13/91/56/571139156.db2.gz HHJUBTVCEOFMCY-UHFFFAOYSA-N 1 0 412.511 3.245 50 0 HGAARO O=C(C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000040051485 571145212 /nfs/dbraw/zinc/14/52/12/571145212.db2.gz QEZUQRBADUYNDU-XMMPIXPASA-N 1 0 412.537 3.378 50 0 HGAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CSc2ccc(F)cc2)CC1 ZINC000040089838 571159801 /nfs/dbraw/zinc/15/98/01/571159801.db2.gz SWAAAFSPDDASHD-UHFFFAOYSA-N 1 0 401.551 3.372 50 0 HGAARO C[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)C1 ZINC000245276335 571222316 /nfs/dbraw/zinc/22/23/16/571222316.db2.gz TUQGSJCJHVPFTB-WMZHIEFXSA-N 1 0 405.542 3.496 50 0 HGAARO COc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000245280349 571222548 /nfs/dbraw/zinc/22/25/48/571222548.db2.gz NOVNBTNIEHSDQI-TZIWHRDSSA-N 1 0 401.503 3.125 50 0 HGAARO CCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2ccc(F)cc2)C3)c1C ZINC000069895171 571248512 /nfs/dbraw/zinc/24/85/12/571248512.db2.gz QSYHSAONWURUKS-UHFFFAOYSA-N 1 0 407.493 3.413 50 0 HGAARO CC[NH+](CC)CCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc21 ZINC000009581847 571270898 /nfs/dbraw/zinc/27/08/98/571270898.db2.gz SOTDSVKJDVQGAG-XMMPIXPASA-N 1 0 418.541 3.480 50 0 HGAARO COc1cn(CC(=O)Nc2ccc(C(C)=O)cc2)c(C[NH+]2CCCCCC2)cc1=O ZINC000009622116 571274327 /nfs/dbraw/zinc/27/43/27/571274327.db2.gz OYDSTAHWURAIKI-UHFFFAOYSA-N 1 0 411.502 3.074 50 0 HGAARO Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCCC[NH+](C)C)ccc1Cl ZINC000010312847 571300135 /nfs/dbraw/zinc/30/01/35/571300135.db2.gz JWZURQPHNVEEME-UHFFFAOYSA-N 1 0 403.910 3.347 50 0 HGAARO O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010333868 571300653 /nfs/dbraw/zinc/30/06/53/571300653.db2.gz VXHVEPSMQYJVGE-HSZRJFAPSA-N 1 0 401.510 3.409 50 0 HGAARO CNC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2)C1 ZINC000033264414 571315969 /nfs/dbraw/zinc/31/59/69/571315969.db2.gz WLBYFMQIZFBCMK-NRFANRHFSA-N 1 0 412.578 3.296 50 0 HGAARO COc1ccccc1C[NH+]1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000001179447 132240803 /nfs/dbraw/zinc/24/08/03/132240803.db2.gz LNQAVRUXPPRBSC-UHFFFAOYSA-N 1 0 411.521 3.395 50 0 HGAARO CCC(C)(C)c1ccc2c(c1)N(CC(=O)NCCC[N@@H+]1CCCC[C@H]1C)C(=O)CO2 ZINC000004454932 132277113 /nfs/dbraw/zinc/27/71/13/132277113.db2.gz KMTAAMURNONASN-GOSISDBHSA-N 1 0 415.578 3.480 50 0 HGAARO COc1cccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1OC ZINC000004707023 132284396 /nfs/dbraw/zinc/28/43/96/132284396.db2.gz AZFMINKUPPAGKO-UHFFFAOYSA-N 1 0 423.557 3.265 50 0 HGAARO C[NH+]1CCN(c2ccccc2NC(=O)COc2ccc(Br)cc2)CC1 ZINC000005050047 132299473 /nfs/dbraw/zinc/29/94/73/132299473.db2.gz OLFSDQOYUNNTPH-UHFFFAOYSA-N 1 0 404.308 3.218 50 0 HGAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005700205 132307675 /nfs/dbraw/zinc/30/76/75/132307675.db2.gz NABKCIYNRXWARH-UHFFFAOYSA-N 1 0 424.589 3.018 50 0 HGAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000006701106 132313088 /nfs/dbraw/zinc/31/30/88/132313088.db2.gz BKJCSGHYZMEIEW-UHFFFAOYSA-N 1 0 411.502 3.265 50 0 HGAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000006700808 132313126 /nfs/dbraw/zinc/31/31/26/132313126.db2.gz SCBNWOAQFJMXIV-UHFFFAOYSA-N 1 0 401.894 3.060 50 0 HGAARO Cc1nn(-c2ccc(C)cc2C)nc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000007719044 132325485 /nfs/dbraw/zinc/32/54/85/132325485.db2.gz DYBWORZBLLNDHC-UHFFFAOYSA-N 1 0 404.518 3.197 50 0 HGAARO CN1c2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000009528832 132340614 /nfs/dbraw/zinc/34/06/14/132340614.db2.gz WWWZZCTYRYWNGT-NRFANRHFSA-N 1 0 412.578 3.406 50 0 HGAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C1(c2ccccc2)CCOCC1 ZINC000011853376 132351398 /nfs/dbraw/zinc/35/13/98/132351398.db2.gz INNFNICDTYNRJE-UHFFFAOYSA-N 1 0 407.558 3.063 50 0 HGAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]C[C@@H]3CCCO3)CC2)cc1 ZINC000012456565 132360868 /nfs/dbraw/zinc/36/08/68/132360868.db2.gz RHYUYINNGHZICW-QHCPKHFHSA-N 1 0 409.530 3.442 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1Cl ZINC000032316538 520862158 /nfs/dbraw/zinc/86/21/58/520862158.db2.gz CDYMQLKLUROQGS-HXUWFJFHSA-N 1 0 405.970 3.488 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1)c1cccc(OC)c1 ZINC000032753486 520864495 /nfs/dbraw/zinc/86/44/95/520864495.db2.gz JBXPZGMKSLMVHU-YJFHSFOWSA-N 1 0 423.557 3.412 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 ZINC000031984578 520866015 /nfs/dbraw/zinc/86/60/15/520866015.db2.gz VBHHOOQOVGGJLV-FUHWJXTLSA-N 1 0 403.548 3.393 50 0 HGAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2sccc2C)CN1Cc1ccccc1Cl ZINC000020599593 523915213 /nfs/dbraw/zinc/91/52/13/523915213.db2.gz XDWLSVLDPYYWNS-MJGOQNOKSA-N 1 0 421.994 3.205 50 0 HGAARO COc1ccc(CC[NH2+]Cc2cccn2-c2nnc(N3CCCC3)s2)cc1OC ZINC000020576497 523976636 /nfs/dbraw/zinc/97/66/36/523976636.db2.gz CARWYVYHWNJLDZ-UHFFFAOYSA-N 1 0 413.547 3.279 50 0 HGAARO C[NH+](C)CCCNC(=O)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355940 524056766 /nfs/dbraw/zinc/05/67/66/524056766.db2.gz FAXALGBSKJTNST-UHFFFAOYSA-N 1 0 400.426 3.096 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCNC(=O)Cc3ccccc3)cc2)C1 ZINC000032930080 524233226 /nfs/dbraw/zinc/23/32/26/524233226.db2.gz WNMMZDNOMBXDHQ-HXUWFJFHSA-N 1 0 407.558 3.284 50 0 HGAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)CC2)cc1 ZINC000032827639 524446138 /nfs/dbraw/zinc/44/61/38/524446138.db2.gz HNFMOQDXRCQFCX-OAQYLSRUSA-N 1 0 409.530 3.175 50 0 HGAARO Cc1cccc(N2CC[NH+](CC[C@H](C)NC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)CC2)c1 ZINC000032019732 524556624 /nfs/dbraw/zinc/55/66/24/524556624.db2.gz LQWJWRGOQODKCV-CCDCCJRHSA-N 1 0 411.590 3.407 50 0 HGAARO Cc1ccccc1C[N@H+]1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@@H]1CCO ZINC000020598300 525144852 /nfs/dbraw/zinc/14/48/52/525144852.db2.gz TUGMIXCVICOGBQ-DEOSSOPVSA-N 1 0 404.558 3.464 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2cnn(-c3ccccc3)n2)[NH+]2CCCCC2)cc1 ZINC000032674348 525186627 /nfs/dbraw/zinc/18/66/27/525186627.db2.gz GKDGTVDHWOVYOR-JOCHJYFZSA-N 1 0 405.502 3.233 50 0 HGAARO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(=O)n(-c2ccccc2)n1C ZINC000032870766 525834629 /nfs/dbraw/zinc/83/46/29/525834629.db2.gz ZHSFTMGSWJQYTF-HNNXBMFYSA-N 1 0 410.440 3.087 50 0 HGAARO Cc1ccc(-c2noc(-c3ccc(OCC(=O)N4CCC[N@@H+](C)CC4)cc3)n2)cc1 ZINC000032579045 525868919 /nfs/dbraw/zinc/86/89/19/525868919.db2.gz AJEZRRCQUIYFOQ-UHFFFAOYSA-N 1 0 406.486 3.255 50 0 HGAARO c1cc(CN2CC[NH+](Cc3ccccc3)CC2)n(-c2nnc(N3CCCC3)s2)c1 ZINC000020576485 526424360 /nfs/dbraw/zinc/42/43/60/526424360.db2.gz AUTWCORSFPVOKY-UHFFFAOYSA-N 1 0 408.575 3.247 50 0 HGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCN(C(=O)c2ccsc2)CC1 ZINC000032772369 526491458 /nfs/dbraw/zinc/49/14/58/526491458.db2.gz ZGBFHXNOBXQWLQ-SFHVURJKSA-N 1 0 401.532 3.147 50 0 HGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032873759 527045943 /nfs/dbraw/zinc/04/59/43/527045943.db2.gz SQLQDFGOPBPPBE-IRLDBZIGSA-N 1 0 409.505 3.069 50 0 HGAARO OCC[NH+]1CCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC1 ZINC000020535631 527554071 /nfs/dbraw/zinc/55/40/71/527554071.db2.gz OCJPRCYQDAHRBE-UHFFFAOYSA-N 1 0 414.912 3.442 50 0 HGAARO Cc1nn(C)c2nc(C)c(CCC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)c(C)c12 ZINC000032730280 527683626 /nfs/dbraw/zinc/68/36/26/527683626.db2.gz XMUADBYOVXQUTH-HXUWFJFHSA-N 1 0 411.525 3.384 50 0 HGAARO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(OCC)cc3)CC2)CC1 ZINC000000795513 557083003 /nfs/dbraw/zinc/08/30/03/557083003.db2.gz YNAKVKDBDUPBCS-UHFFFAOYSA-N 1 0 402.535 3.099 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+]2CCCCC2)c2cccc(C)c2)cc1 ZINC000000864221 557105170 /nfs/dbraw/zinc/10/51/70/557105170.db2.gz OICAJIABXGHWKA-NRFANRHFSA-N 1 0 402.560 3.346 50 0 HGAARO O=C(Cc1ccccc1)N1C[C@@H](c2ccccc2)C[C@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000034738224 557447700 /nfs/dbraw/zinc/44/77/00/557447700.db2.gz SEDHYZBJEMBNIK-ZEQRLZLVSA-N 1 0 419.569 3.073 50 0 HGAARO O=C(NCc1ccccc1)C1CC[NH+](C2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000034912051 557479838 /nfs/dbraw/zinc/47/98/38/557479838.db2.gz INHQBSXHSOULBX-UHFFFAOYSA-N 1 0 423.532 3.459 50 0 HGAARO Cc1cc(C)cc(N2C[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2=O)c1 ZINC000034917972 557483098 /nfs/dbraw/zinc/48/30/98/557483098.db2.gz IGFNBPIFEAIGFZ-OAQYLSRUSA-N 1 0 405.542 3.437 50 0 HGAARO COc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Br ZINC000005050493 557630364 /nfs/dbraw/zinc/63/03/64/557630364.db2.gz AZDNLQXBBNRRBD-UHFFFAOYSA-N 1 0 405.358 3.045 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000022794404 557822104 /nfs/dbraw/zinc/82/21/04/557822104.db2.gz BQKLGSFHAHUAOF-LJQANCHMSA-N 1 0 405.901 3.206 50 0 HGAARO COc1ccc(Br)cc1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000009249986 557832717 /nfs/dbraw/zinc/83/27/17/557832717.db2.gz DVSBSJRUGADLHB-UHFFFAOYSA-N 1 0 420.336 3.315 50 0 HGAARO O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000019740432 558261318 /nfs/dbraw/zinc/26/13/18/558261318.db2.gz RUYSEQUDIHAHDX-UHFFFAOYSA-N 1 0 402.458 3.259 50 0 HGAARO Cn1cc(C[NH2+]CCc2cnn(-c3ccccc3)c2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000019742652 558262971 /nfs/dbraw/zinc/26/29/71/558262971.db2.gz QUACQFHNLKFVNY-UHFFFAOYSA-N 1 0 415.497 3.376 50 0 HGAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@H](C)CSC)CC2)c(Cl)c1 ZINC000011700646 558270488 /nfs/dbraw/zinc/27/04/88/558270488.db2.gz LVDUXXAULPIEOP-CQSZACIVSA-N 1 0 400.972 3.311 50 0 HGAARO O=C(NCCc1ccncc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011820575 558284025 /nfs/dbraw/zinc/28/40/25/558284025.db2.gz DXYFXJGCCZNAHE-QHCPKHFHSA-N 1 0 406.574 3.117 50 0 HGAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3cccc(O)c3)CC2)c(Cl)c1 ZINC000011842316 558287493 /nfs/dbraw/zinc/28/74/93/558287493.db2.gz NZXRUNFZSNEEIB-UHFFFAOYSA-N 1 0 418.921 3.465 50 0 HGAARO O=C(NC[C@H]1COCCO1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011879229 558293925 /nfs/dbraw/zinc/29/39/25/558293925.db2.gz FBQXGZGCSNUNTQ-IBGZPJMESA-N 1 0 422.953 3.271 50 0 HGAARO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(C)cc2C)CC3)cc1 ZINC000011908870 558296058 /nfs/dbraw/zinc/29/60/58/558296058.db2.gz XHFZOOPQLGSEJL-UHFFFAOYSA-N 1 0 417.557 3.234 50 0 HGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000019865632 558298906 /nfs/dbraw/zinc/29/89/06/558298906.db2.gz CAEDPSCGYQYFGJ-NRFANRHFSA-N 1 0 411.521 3.399 50 0 HGAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccnc2)CC1)c1ccc2c(c1)OCO2 ZINC000011938332 558301873 /nfs/dbraw/zinc/30/18/73/558301873.db2.gz ACHLRXHAJGYIBV-UHFFFAOYSA-N 1 0 405.458 3.096 50 0 HGAARO COc1cc(CN2CCC([NH+]3CCN(C)CC3)CC2)ccc1OCc1ccccc1 ZINC000019889861 558302735 /nfs/dbraw/zinc/30/27/35/558302735.db2.gz RCBGFIYSSQBLJL-UHFFFAOYSA-N 1 0 409.574 3.486 50 0 HGAARO C[C@@H](CC[N@H+]1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1 ZINC000011999316 558307922 /nfs/dbraw/zinc/30/79/22/558307922.db2.gz SZJGTLXWRPVEON-IBGZPJMESA-N 1 0 403.530 3.260 50 0 HGAARO COc1cccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CCC2=O)c1 ZINC000012037570 558312153 /nfs/dbraw/zinc/31/21/53/558312153.db2.gz AYIIOCQJIWGINX-UHFFFAOYSA-N 1 0 407.558 3.394 50 0 HGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CCCC1=O ZINC000012072671 558317958 /nfs/dbraw/zinc/31/79/58/558317958.db2.gz VRBMZAOYCSDDHR-LJQANCHMSA-N 1 0 405.970 3.065 50 0 HGAARO CCOC(=O)C1CC[NH+](Cc2cc3ccc(F)cc3n(Cc3ccccn3)c2=O)CC1 ZINC000012160394 558341794 /nfs/dbraw/zinc/34/17/94/558341794.db2.gz HNQQHYCIPXTPPI-UHFFFAOYSA-N 1 0 423.488 3.359 50 0 HGAARO O=C1C[C@H](c2ccc(Cl)cc2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000020218625 558348369 /nfs/dbraw/zinc/34/83/69/558348369.db2.gz NBBYHVVEXVSNGZ-FVTFTPSCSA-N 1 0 420.900 3.302 50 0 HGAARO O=C(NCCC[N@H+]1CCC[C@@H](O)C1)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000012206002 558352817 /nfs/dbraw/zinc/35/28/17/558352817.db2.gz FULQXJOPRRRVSN-HXUWFJFHSA-N 1 0 407.514 3.190 50 0 HGAARO CC(=O)N1CCN(Cc2ccc3c(c2)C[N@@H+](Cc2cc(C)cc(C)c2)CCO3)CC1 ZINC000012213066 558354098 /nfs/dbraw/zinc/35/40/98/558354098.db2.gz WERBZDMFTBXDIM-UHFFFAOYSA-N 1 0 407.558 3.362 50 0 HGAARO O=C(CCc1cn[nH]c1)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000020448911 558364110 /nfs/dbraw/zinc/36/41/10/558364110.db2.gz PJTJPKSXVLHSPD-SFHVURJKSA-N 1 0 402.489 3.381 50 0 HGAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]CCOc1cccnc1 ZINC000012301773 558371442 /nfs/dbraw/zinc/37/14/42/558371442.db2.gz NJXFCUNBJADMNA-UHFFFAOYSA-N 1 0 415.497 3.170 50 0 HGAARO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CSCCSC2)cc1 ZINC000012301978 558371538 /nfs/dbraw/zinc/37/15/38/558371538.db2.gz NNPZXYCXRCYNIX-IBGZPJMESA-N 1 0 402.589 3.432 50 0 HGAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]CCc1c[nH]cn1)N1CCCCCCC1 ZINC000012303187 558372918 /nfs/dbraw/zinc/37/29/18/558372918.db2.gz GOMWMXOZKJSWCK-UHFFFAOYSA-N 1 0 414.941 3.449 50 0 HGAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000012306459 558375308 /nfs/dbraw/zinc/37/53/08/558375308.db2.gz XCQQWRGLYSSVMK-UHFFFAOYSA-N 1 0 403.910 3.155 50 0 HGAARO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1CCO ZINC000020514109 558382633 /nfs/dbraw/zinc/38/26/33/558382633.db2.gz BVFBHTWIIPUHAN-DEOSSOPVSA-N 1 0 420.557 3.340 50 0 HGAARO O=C(CCN1CCCC1=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012432408 558406701 /nfs/dbraw/zinc/40/67/01/558406701.db2.gz BHZOHNXJXDZFGU-UHFFFAOYSA-N 1 0 412.578 3.077 50 0 HGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)Cc3ccc(OC)cc3)C2)cc1 ZINC000012464011 558419836 /nfs/dbraw/zinc/41/98/36/558419836.db2.gz VKIPHTCAMKBSOV-FQEVSTJZSA-N 1 0 410.514 3.053 50 0 HGAARO COc1cc(C(=O)NC[C@@H]2OCCc3ccccc32)ccc1OC1CC[NH+](C)CC1 ZINC000012577134 558431358 /nfs/dbraw/zinc/43/13/58/558431358.db2.gz SPAWTNHORWOACO-QHCPKHFHSA-N 1 0 410.514 3.212 50 0 HGAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3c(C)cc(C)[nH]c3=O)CC2)cc1 ZINC000012587668 558434580 /nfs/dbraw/zinc/43/45/80/558434580.db2.gz YCDNAFVFUPNFCB-UHFFFAOYSA-N 1 0 411.546 3.027 50 0 HGAARO O=C(c1cn[nH]c1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012588709 558435036 /nfs/dbraw/zinc/43/50/36/558435036.db2.gz YMGYAFMTHASCBS-FQEVSTJZSA-N 1 0 400.498 3.082 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCc2cnccn2)c1 ZINC000012591918 558436127 /nfs/dbraw/zinc/43/61/27/558436127.db2.gz CRGNWPXZCOKJDD-UHFFFAOYSA-N 1 0 424.545 3.244 50 0 HGAARO COc1ccc([C@H](CNC(=O)CCc2nc(-c3ccsc3)no2)[NH+](C)C)cc1 ZINC000021635678 558443991 /nfs/dbraw/zinc/44/39/91/558443991.db2.gz LBOCPYXRPQHJNK-KRWDZBQOSA-N 1 0 400.504 3.158 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1cccs1 ZINC000021762973 558448013 /nfs/dbraw/zinc/44/80/13/558448013.db2.gz CMPRPOCHPKRHFF-LJQANCHMSA-N 1 0 418.522 3.480 50 0 HGAARO CC[NH+](CC)C[C@@H](O)COc1ccc(CNCc2cc(C(C)C)no2)cc1OC ZINC000012713206 558453759 /nfs/dbraw/zinc/45/37/59/558453759.db2.gz VPRZXEACHZZLIW-GOSISDBHSA-N 1 0 405.539 3.178 50 0 HGAARO C[NH+](C)Cc1ccccc1CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000012775120 558462822 /nfs/dbraw/zinc/46/28/22/558462822.db2.gz FCFNBABWPMZNQS-UHFFFAOYSA-N 1 0 424.570 3.174 50 0 HGAARO COc1ccc(C(=O)C2CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)CC2)cc1 ZINC000012793821 558467336 /nfs/dbraw/zinc/46/73/36/558467336.db2.gz RMKDDRRUANODJS-UHFFFAOYSA-N 1 0 423.513 3.006 50 0 HGAARO C[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(F)c1 ZINC000013038722 558505605 /nfs/dbraw/zinc/50/56/05/558505605.db2.gz BEVSCLIXBHGXTD-MRXNPFEDSA-N 1 0 419.522 3.290 50 0 HGAARO CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC[NH+](CC)CC)ccc1C ZINC000022704427 558505906 /nfs/dbraw/zinc/50/59/06/558505906.db2.gz TYLYQLVZECWRJN-UHFFFAOYSA-N 1 0 417.575 3.282 50 0 HGAARO C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022802940 558513177 /nfs/dbraw/zinc/51/31/77/558513177.db2.gz PEJQQWSGFYYBAL-NFBKMPQASA-N 1 0 407.558 3.077 50 0 HGAARO Cc1ccc(-n2cccn2)c(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)c1 ZINC000022852359 558516842 /nfs/dbraw/zinc/51/68/42/558516842.db2.gz AOXVSVKJVOCOGS-XMMPIXPASA-N 1 0 404.558 3.292 50 0 HGAARO CN(CC[N@@H+]1CCc2ccccc2C1)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000022851279 558516904 /nfs/dbraw/zinc/51/69/04/558516904.db2.gz BHQHSDHYWBAPCU-UHFFFAOYSA-N 1 0 418.541 3.348 50 0 HGAARO O=C(Cc1csc(NC(=O)c2ccco2)n1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023739127 558572563 /nfs/dbraw/zinc/57/25/63/558572563.db2.gz YUBRGSPLIQSBGR-SFHVURJKSA-N 1 0 424.526 3.484 50 0 HGAARO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000013941608 558604519 /nfs/dbraw/zinc/60/45/19/558604519.db2.gz JFHMWVJWVCOBJN-WFZBXURCSA-O 1 0 414.485 3.020 50 0 HGAARO COc1ccc(-c2coc3c(C)c(OCCN4CC[NH+](C)CC4)ccc3c2=O)cc1 ZINC000022933389 558615815 /nfs/dbraw/zinc/61/58/15/558615815.db2.gz ROOOYDCUOMLCFP-UHFFFAOYSA-N 1 0 408.498 3.403 50 0 biogenic HGAARO COc1ccc([C@@H](CNC(=O)c2cncc(Br)c2)[NH+]2CCCC2)cc1 ZINC000014184547 558629794 /nfs/dbraw/zinc/62/97/94/558629794.db2.gz KCJVTQCJGAOIAV-GOSISDBHSA-N 1 0 404.308 3.420 50 0 HGAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+]([C@@H](C)CSC)CC2 ZINC000014532755 558656856 /nfs/dbraw/zinc/65/68/56/558656856.db2.gz GUBMRCOEOUOFFL-INIZCTEOSA-N 1 0 401.576 3.024 50 0 HGAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1Cl)C2 ZINC000014532830 558656889 /nfs/dbraw/zinc/65/68/89/558656889.db2.gz JXVDCJGDKMTKJG-KRWDZBQOSA-N 1 0 400.954 3.482 50 0 HGAARO CC(C)C[N@H+]1C[C@H](C(=O)NCCc2c[nH]cn2)C[C@H](COc2ccc3c(c2)CCC3)C1 ZINC000014537971 558658649 /nfs/dbraw/zinc/65/86/49/558658649.db2.gz GJTGPLHNNSHEKZ-SIKLNZKXSA-N 1 0 424.589 3.230 50 0 HGAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([N@H+](C)Cc1ccccc1)C2 ZINC000014748897 558670125 /nfs/dbraw/zinc/67/01/25/558670125.db2.gz NBKDHJYLLCHLCN-HXUWFJFHSA-N 1 0 410.562 3.001 50 0 HGAARO Cc1ccc([C@H](C)CC[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)o1 ZINC000014749032 558670269 /nfs/dbraw/zinc/67/02/69/558670269.db2.gz YAXKFUWGMNAOIJ-QGZVFWFLSA-N 1 0 410.518 3.405 50 0 HGAARO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)cc1 ZINC000014749971 558670649 /nfs/dbraw/zinc/67/06/49/558670649.db2.gz IJOWLLOORBTBMN-UHFFFAOYSA-N 1 0 407.514 3.167 50 0 HGAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]CCc1cccs1)CC2 ZINC000014753458 558671359 /nfs/dbraw/zinc/67/13/59/558671359.db2.gz PXWQUYKRINTZPZ-SFHVURJKSA-N 1 0 408.571 3.384 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1ccc(F)c(F)c1)CC2 ZINC000014753549 558671469 /nfs/dbraw/zinc/67/14/69/558671469.db2.gz SJDNVWWHTXBIHC-OAHLLOKOSA-N 1 0 414.456 3.211 50 0 HGAARO Cc1cc(O[C@H](C)C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)ccc1Cl ZINC000027744304 558681104 /nfs/dbraw/zinc/68/11/04/558681104.db2.gz OQNPEZFMHQZZMC-GOSISDBHSA-N 1 0 407.986 3.482 50 0 HGAARO C[NH+](C)CCNC(=O)[C@@H]1C[C@H](Sc2ccc(F)cc2)CN1Cc1cccc(F)c1 ZINC000014957423 558682907 /nfs/dbraw/zinc/68/29/07/558682907.db2.gz CSBIKIDPRYRZDZ-SFTDATJTSA-N 1 0 419.541 3.378 50 0 HGAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000014974969 558688849 /nfs/dbraw/zinc/68/88/49/558688849.db2.gz CHBJQIGQSWUVRP-KRWDZBQOSA-N 1 0 408.477 3.384 50 0 HGAARO CC(C)C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000015001198 558697873 /nfs/dbraw/zinc/69/78/73/558697873.db2.gz UMUCXALRBKTDNB-QGZVFWFLSA-N 1 0 407.518 3.430 50 0 HGAARO CN(Cc1cc[nH]n1)C(=O)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000015064429 558707306 /nfs/dbraw/zinc/70/73/06/558707306.db2.gz BXDBRFRMECKTPH-UHFFFAOYSA-N 1 0 405.502 3.120 50 0 HGAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(COc3ccc(C(C)=O)cc3OC)on2)C1 ZINC000015074338 558715131 /nfs/dbraw/zinc/71/51/31/558715131.db2.gz DLWTVJRJODAZCF-KRWDZBQOSA-N 1 0 415.490 3.021 50 0 HGAARO NC(=O)C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000015079295 558718052 /nfs/dbraw/zinc/71/80/52/558718052.db2.gz VDNJVVYCSAUQGS-UHFFFAOYSA-N 1 0 418.497 3.024 50 0 HGAARO COc1cc(C[C@H]2CC(C[NH2+]CCc3ccc(C)cc3)=NO2)c(OC)c2c1OCO2 ZINC000015081399 558718916 /nfs/dbraw/zinc/71/89/16/558718916.db2.gz NXZXHNZWSKMPET-IBGZPJMESA-N 1 0 412.486 3.261 50 0 HGAARO CC[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000072303029 558755540 /nfs/dbraw/zinc/75/55/40/558755540.db2.gz JIESTORFQQGAEV-QFIPXVFZSA-N 1 0 405.542 3.479 50 0 HGAARO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000016031701 558769420 /nfs/dbraw/zinc/76/94/20/558769420.db2.gz WTNJGYFYMAQZAK-SXSPYAJSSA-N 1 0 402.535 3.081 50 0 HGAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2I)CC1 ZINC000016189186 558776987 /nfs/dbraw/zinc/77/69/87/558776987.db2.gz TTWIPMWMVJYASE-UHFFFAOYSA-N 1 0 421.282 3.295 50 0 HGAARO Cc1cc(C)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)c1 ZINC000035421898 558791441 /nfs/dbraw/zinc/79/14/41/558791441.db2.gz VKCAVIXHZUNMJH-OAQYLSRUSA-N 1 0 407.558 3.371 50 0 HGAARO COc1cc(Cl)c(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)cc1OC ZINC000039543147 558822194 /nfs/dbraw/zinc/82/21/94/558822194.db2.gz BIYDENYUONLJES-LJQANCHMSA-N 1 0 404.938 3.426 50 0 HGAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 ZINC000018240786 558834259 /nfs/dbraw/zinc/83/42/59/558834259.db2.gz AKURUVQMKBSIBU-NRFANRHFSA-N 1 0 407.470 3.039 50 0 HGAARO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000072313482 558840320 /nfs/dbraw/zinc/84/03/20/558840320.db2.gz XTVBQGINVZTBSJ-HUUCEWRRSA-N 1 0 419.875 3.218 50 0 HGAARO Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCCCCC3)CC2)[nH]1 ZINC000033024356 558841666 /nfs/dbraw/zinc/84/16/66/558841666.db2.gz YRKQPDQKZDPZRS-UHFFFAOYSA-N 1 0 402.583 3.256 50 0 HGAARO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000067975609 558862476 /nfs/dbraw/zinc/86/24/76/558862476.db2.gz IKWYCGCLKLZZPR-OAQYLSRUSA-N 1 0 410.562 3.296 50 0 HGAARO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1N1CCNC1=O ZINC000067973849 558862526 /nfs/dbraw/zinc/86/25/26/558862526.db2.gz SUYVXNGDZUXXKL-QFIPXVFZSA-N 1 0 420.557 3.352 50 0 HGAARO CC(=O)Nc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)c1 ZINC000055166091 558874801 /nfs/dbraw/zinc/87/48/01/558874801.db2.gz QYZQLELOBXQGOV-HSZRJFAPSA-N 1 0 420.557 3.380 50 0 HGAARO CC[NH+](CC)CCn1c(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)nc2ccccc21 ZINC000010653033 558875671 /nfs/dbraw/zinc/87/56/71/558875671.db2.gz BKWHCHMUBCNDLH-UHFFFAOYSA-N 1 0 411.506 3.362 50 0 HGAARO O=C(CCOc1ccccc1)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055200077 558875817 /nfs/dbraw/zinc/87/58/17/558875817.db2.gz HZCWSQBBMSLNRO-JOCHJYFZSA-N 1 0 411.521 3.408 50 0 HGAARO COc1cc(OC)c(OC)c2[nH]c(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cc21 ZINC000033047450 558883898 /nfs/dbraw/zinc/88/38/98/558883898.db2.gz JKSNCMZFHYXTPV-HNNXBMFYSA-N 1 0 403.504 3.288 50 0 HGAARO COCC[N@@H+]1CCc2nc(SCc3cccc(Br)c3)[nH]c(=O)c2C1 ZINC000033141648 558893338 /nfs/dbraw/zinc/89/33/38/558893338.db2.gz GINHVVJICFXBND-UHFFFAOYSA-N 1 0 410.337 3.242 50 0 HGAARO CC(=O)N1CCC(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000058159586 558904703 /nfs/dbraw/zinc/90/47/03/558904703.db2.gz TXHZKJJGVKMMOX-UHFFFAOYSA-N 1 0 420.557 3.206 50 0 HGAARO CCCC[NH+](CCCC)CCNC(=O)CN1N=C(c2ccc(OC)cc2)CCC1=O ZINC000004712584 558917732 /nfs/dbraw/zinc/91/77/32/558917732.db2.gz FXIZEXGQCWENES-UHFFFAOYSA-N 1 0 416.566 3.040 50 0 HGAARO CCOC(=O)c1sc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C(=O)OCC)c1C ZINC000058306290 558918340 /nfs/dbraw/zinc/91/83/40/558918340.db2.gz SMLISAYXGPEEEB-AWEZNQCLSA-N 1 0 423.535 3.112 50 0 HGAARO C[C@@H](CNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000058415919 558925233 /nfs/dbraw/zinc/92/52/33/558925233.db2.gz JBJMMQAHGMGAEP-OALUTQOASA-N 1 0 410.537 3.398 50 0 HGAARO COc1ccccc1C[NH+]1CCC(NC(=O)c2cnc3c(cnn3C(C)C)c2)CC1 ZINC000058439685 558927301 /nfs/dbraw/zinc/92/73/01/558927301.db2.gz QOXRHZPTDKDRPH-UHFFFAOYSA-N 1 0 407.518 3.415 50 0 HGAARO COc1cc(OC)cc(C(=O)NCCC[N@H+](C)CCCN(C)Cc2ccccc2)c1 ZINC000059181912 558932273 /nfs/dbraw/zinc/93/22/73/558932273.db2.gz MBWADNOWIMRHFY-UHFFFAOYSA-N 1 0 413.562 3.278 50 0 HGAARO CC[NH+](CC)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021810666 558953400 /nfs/dbraw/zinc/95/34/00/558953400.db2.gz OXAQVKRAEUEHBZ-HSZRJFAPSA-N 1 0 414.550 3.240 50 0 HGAARO O=C(NCCC[NH+]1CCCCCC1)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060338 558954659 /nfs/dbraw/zinc/95/46/59/558954659.db2.gz CRYPKOLFWLDIDZ-UHFFFAOYSA-N 1 0 421.954 3.440 50 0 HGAARO Cn1cc(-c2cc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)c3cc(F)ccc3n2)cn1 ZINC000063856461 558959645 /nfs/dbraw/zinc/95/96/45/558959645.db2.gz VLVGPCQZHSZCAK-SFHVURJKSA-N 1 0 407.493 3.475 50 0 HGAARO Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc(NC2CCCCC2)[nH+]1 ZINC000064814557 558966032 /nfs/dbraw/zinc/96/60/32/558966032.db2.gz PXGBOKFIVFSGSM-UHFFFAOYSA-N 1 0 415.563 3.041 50 0 HGAARO COc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CC[NH+](C)CC2)c(Cl)c1OC ZINC000065380831 558976839 /nfs/dbraw/zinc/97/68/39/558976839.db2.gz SUJSUMQCKHRNLV-AWEZNQCLSA-N 1 0 404.898 3.295 50 0 HGAARO COc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2CC=C[C@@H]2CO)OCO4)c1OC ZINC000072419373 558978466 /nfs/dbraw/zinc/97/84/66/558978466.db2.gz VNFZBKKLWVMUMF-QGZVFWFLSA-N 1 0 420.465 3.380 50 0 HGAARO C[NH+](C)CCOc1cccc2c1c(NC(=O)c1cccnn1)nn2-c1cccc(F)c1 ZINC000072478895 558983892 /nfs/dbraw/zinc/98/38/92/558983892.db2.gz VEXUHJBUAIHSOU-UHFFFAOYSA-N 1 0 420.448 3.147 50 0 HGAARO c1nnnn1CCC[N@@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067650580 558990754 /nfs/dbraw/zinc/99/07/54/558990754.db2.gz CCZQUJQOJUDFSJ-UHFFFAOYSA-N 1 0 400.486 3.290 50 0 HGAARO Cc1cc(O)c([C@@H](c2cccc(F)c2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccccc1 ZINC000023086415 558999961 /nfs/dbraw/zinc/99/99/61/558999961.db2.gz ZATHFLILBJKCSG-XMMPIXPASA-N 1 0 421.516 3.387 50 0 HGAARO CCC(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082099141 559037913 /nfs/dbraw/zinc/03/79/13/559037913.db2.gz ZZCFLXPJNWQNDG-NRFANRHFSA-N 1 0 413.606 3.485 50 0 HGAARO Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082115404 559038934 /nfs/dbraw/zinc/03/89/34/559038934.db2.gz MPJVBBNKMPIIBX-QHCPKHFHSA-N 1 0 406.574 3.383 50 0 HGAARO O=C(NCc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082148242 559041040 /nfs/dbraw/zinc/04/10/40/559041040.db2.gz FARPVQFUIDSUQY-NRFANRHFSA-N 1 0 410.537 3.214 50 0 HGAARO COc1ccc(Cl)cc1C(=O)NCCNc1nc(N2CCCCC2)cc(C)[nH+]1 ZINC000082230449 559042769 /nfs/dbraw/zinc/04/27/69/559042769.db2.gz NLNANPLLTJRSHC-UHFFFAOYSA-N 1 0 403.914 3.279 50 0 HGAARO Cc1nc2cc(OCc3nc(C(=O)NCC[C@H]4CCC[N@H+]4C)co3)ccc2s1 ZINC000091943950 559074671 /nfs/dbraw/zinc/07/46/71/559074671.db2.gz OGGOWWSYKRMEFV-CQSZACIVSA-N 1 0 400.504 3.386 50 0 HGAARO Cn1ccc2ccc(C[NH+]3CCC4(CC3)c3nc[nH]c3CCN4C(=O)C3CC3)cc21 ZINC000095522890 559085589 /nfs/dbraw/zinc/08/55/89/559085589.db2.gz PSAKGUWSCFLQOZ-UHFFFAOYSA-N 1 0 403.530 3.187 50 0 HGAARO O=C(c1cccc2nccnc21)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095529678 559086747 /nfs/dbraw/zinc/08/67/47/559086747.db2.gz RRLVXAKNUFUJJB-WWPVKYPJSA-N 1 0 402.473 3.471 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Cc1ccccc1 ZINC000011603675 559113184 /nfs/dbraw/zinc/11/31/84/559113184.db2.gz VRYDKPWOVSCXOR-LPHOPBHVSA-N 1 0 417.962 3.432 50 0 HGAARO O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000247714414 559113440 /nfs/dbraw/zinc/11/34/40/559113440.db2.gz MKPIBSLBSTYPPT-AVJFOWIRSA-N 1 0 423.472 3.271 50 0 HGAARO Cc1cccc(N2CC[NH+](CCC(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)c1 ZINC000072301609 559122279 /nfs/dbraw/zinc/12/22/79/559122279.db2.gz VABBMQCKPSOYDH-UHFFFAOYSA-N 1 0 417.557 3.068 50 0 HGAARO CC[NH+]1CCC(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000014096814 559150230 /nfs/dbraw/zinc/15/02/30/559150230.db2.gz NCWSBEXILZHQJN-UHFFFAOYSA-N 1 0 404.376 3.487 50 0 HGAARO CCn1c(=O)cc(OCC(=O)NCCC[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000005067229 559240053 /nfs/dbraw/zinc/24/00/53/559240053.db2.gz JXUQWLYTAHXORD-UHFFFAOYSA-N 1 0 407.514 3.039 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)C1 ZINC000005067718 559240117 /nfs/dbraw/zinc/24/01/17/559240117.db2.gz YRFJHTORJJBTTF-KDURUIRLSA-N 1 0 413.562 3.182 50 0 HGAARO CCC[NH+](CCC)CCCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12 ZINC000005067745 559240264 /nfs/dbraw/zinc/24/02/64/559240264.db2.gz DYEKIWZBXWEMPI-UHFFFAOYSA-N 1 0 401.551 3.326 50 0 HGAARO Cc1c2ccc(OCC(=O)NCCC[NH+](C)C)cc2oc(=O)c1Cc1ccccc1 ZINC000005346101 560570228 /nfs/dbraw/zinc/57/02/28/560570228.db2.gz GHKHLINWOQINIM-UHFFFAOYSA-N 1 0 408.498 3.139 50 0 HGAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccccc2OC)N(CCC[NH+](C)C)C1=O ZINC000005347731 560570771 /nfs/dbraw/zinc/57/07/71/560570771.db2.gz BEZTYGHJXAEXDE-NRFANRHFSA-N 1 0 422.481 3.307 50 0 HGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000409415104 560723484 /nfs/dbraw/zinc/72/34/84/560723484.db2.gz TYWNKCPILYIKAG-UGKGYDQZSA-N 1 0 411.550 3.215 50 0 HGAARO O=c1occ(C[NH+]2CCCCC2)c([O-])c1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101374469 560793469 /nfs/dbraw/zinc/79/34/69/560793469.db2.gz YHXICRYXXRZDSQ-UHFFFAOYSA-N 1 0 417.937 3.307 50 0 HGAARO CC(=O)NCCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000046721055 560843704 /nfs/dbraw/zinc/84/37/04/560843704.db2.gz MNVVAZSBEGFOES-GOSISDBHSA-N 1 0 405.951 3.143 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000106309366 560889739 /nfs/dbraw/zinc/88/97/39/560889739.db2.gz RVSLLEQIYSTXSK-FPOVZHCZSA-N 1 0 407.562 3.351 50 0 HGAARO Cc1ccc(C[NH+]2CCC([C@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)o1 ZINC000014885751 560896911 /nfs/dbraw/zinc/89/69/11/560896911.db2.gz VOOIJLOPPMUIIL-DEOSSOPVSA-N 1 0 407.514 3.278 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc4c(c3)OCC(=O)N4)cc2)C1 ZINC000048311031 568436776 /nfs/dbraw/zinc/43/67/76/568436776.db2.gz CLNKFAHVJIVXIL-IRXDYDNUSA-N 1 0 407.514 3.425 50 0 HGAARO O=C(NC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC000048312552 568438994 /nfs/dbraw/zinc/43/89/94/568438994.db2.gz JDOKJBNDOMVHDV-NRFANRHFSA-N 1 0 423.532 3.459 50 0 HGAARO Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000048333153 568439507 /nfs/dbraw/zinc/43/95/07/568439507.db2.gz SNGSBGXRTPPMAU-KRWDZBQOSA-N 1 0 424.526 3.230 50 0 HGAARO O=C(CC[NH+]1CCN(Cc2ccsc2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000022786945 568499641 /nfs/dbraw/zinc/49/96/41/568499641.db2.gz LIUNXFPUSNZKFO-UHFFFAOYSA-N 1 0 412.559 3.021 50 0 HGAARO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000095408258 568606344 /nfs/dbraw/zinc/60/63/44/568606344.db2.gz QMAJSKZMIOQYGY-QHCPKHFHSA-N 1 0 417.553 3.091 50 0 HGAARO C[C@H]([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 ZINC000095469681 568625913 /nfs/dbraw/zinc/62/59/13/568625913.db2.gz VGQSGTPDODSZTL-RXHHBCLFSA-N 1 0 422.635 3.139 50 0 HGAARO CCC[NH+]1CCN(C(=O)Cn2c(C)c(C(=O)OCC)cc2-c2ccc(F)cc2)CC1 ZINC000020761061 568642145 /nfs/dbraw/zinc/64/21/45/568642145.db2.gz ZWALGUNUYLUAMV-UHFFFAOYSA-N 1 0 415.509 3.334 50 0 HGAARO C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000225494134 568643048 /nfs/dbraw/zinc/64/30/48/568643048.db2.gz WSQBRNLMPJFREI-TYPHKJRUSA-N 1 0 412.534 3.243 50 0 HGAARO C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000225494201 568643100 /nfs/dbraw/zinc/64/31/00/568643100.db2.gz WSQBRNLMPJFREI-CEWLAPEOSA-N 1 0 412.534 3.243 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)C1 ZINC000020925724 568651339 /nfs/dbraw/zinc/65/13/39/568651339.db2.gz AWBUBLUQTCABSV-CALCHBBNSA-N 1 0 403.498 3.482 50 0 HGAARO Cc1cc(C)n(Cc2c(C)onc2C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)n1 ZINC000020994055 568656259 /nfs/dbraw/zinc/65/62/59/568656259.db2.gz CLGDMKSBVPGQIG-NRFANRHFSA-N 1 0 421.545 3.405 50 0 HGAARO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1NC(=O)C1=CSCCO1 ZINC000021019768 568658017 /nfs/dbraw/zinc/65/80/17/568658017.db2.gz FMSYGXJYXRPHNM-UHFFFAOYSA-N 1 0 403.548 3.144 50 0 HGAARO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000095941232 568662156 /nfs/dbraw/zinc/66/21/56/568662156.db2.gz SSZRIIYEEQRPCW-JSGCOSHPSA-N 1 0 405.848 3.448 50 0 HGAARO Cc1cc2nc(C)c(CCC(=O)N3CCC4(C[C@H]4C[NH+]4CCCC4)CC3)c(C)n2n1 ZINC000095982776 568675641 /nfs/dbraw/zinc/67/56/41/568675641.db2.gz PEOYGDQBNUUCKV-FQEVSTJZSA-N 1 0 409.578 3.312 50 0 HGAARO C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013572 568685491 /nfs/dbraw/zinc/68/54/91/568685491.db2.gz CZBNFNZDZMBRRF-WMZHIEFXSA-N 1 0 420.513 3.388 50 0 HGAARO CCCSc1ccccc1N1CC[NH+](CCCCCN2C(=O)CNC2=O)CC1 ZINC000096027650 568686714 /nfs/dbraw/zinc/68/67/14/568686714.db2.gz LGZQOSHVSKJOPY-UHFFFAOYSA-N 1 0 404.580 3.033 50 0 HGAARO Cc1c(C)c(=O)oc2c(C)c(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc12 ZINC000096113758 568693438 /nfs/dbraw/zinc/69/34/38/568693438.db2.gz SNIKVBGKVAIQCY-AZUAARDMSA-N 1 0 412.530 3.478 50 0 biogenic HGAARO O=C(COCc1cc(-c2cccs2)on1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000021528178 568709951 /nfs/dbraw/zinc/70/99/51/568709951.db2.gz NHIRORVUMUIOJI-UHFFFAOYSA-N 1 0 411.527 3.484 50 0 HGAARO COC(=O)c1c(NC(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)sc2c1CC[C@@H](C)C2 ZINC000229817369 568715501 /nfs/dbraw/zinc/71/55/01/568715501.db2.gz KZAWAGDFWRAJQK-CVEARBPZSA-N 1 0 419.591 3.016 50 0 HGAARO CCOC(=O)C1=C(C[NH2+]CCc2ccc(OCC)cc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000085993822 568745099 /nfs/dbraw/zinc/74/50/99/568745099.db2.gz IFYDJSOVZBAADG-JOCHJYFZSA-N 1 0 423.513 3.089 50 0 HGAARO CC(C)[C@H](CNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025536107 568774608 /nfs/dbraw/zinc/77/46/08/568774608.db2.gz DFSVNQGRLZNUQZ-UNMCSNQZSA-N 1 0 411.546 3.233 50 0 HGAARO COc1ccc(C(=O)NC[C@H](c2cccnc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000056896105 568820877 /nfs/dbraw/zinc/82/08/77/568820877.db2.gz BHAOOVSYWNMLJL-XMMPIXPASA-N 1 0 416.525 3.384 50 0 HGAARO CSc1cccc(N2C[C@@H](C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)CC2=O)c1 ZINC000029836448 568836896 /nfs/dbraw/zinc/83/68/96/568836896.db2.gz BKBHCWNJKVMAOS-OXJNMPFZSA-N 1 0 415.534 3.320 50 0 HGAARO CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000012552622 568854412 /nfs/dbraw/zinc/85/44/12/568854412.db2.gz LYLNFBVSMPYDRI-UHFFFAOYSA-N 1 0 401.532 3.010 50 0 HGAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCc2ccccc2)CC1 ZINC000299766422 568873783 /nfs/dbraw/zinc/87/37/83/568873783.db2.gz DJNZRVHHTUBRSK-QHCPKHFHSA-N 1 0 412.505 3.139 50 0 HGAARO CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CC[NH+](Cc2ccsc2)CC3)CC1 ZINC000299768761 568873915 /nfs/dbraw/zinc/87/39/15/568873915.db2.gz QCEWDKWTUYEWSX-GOSISDBHSA-N 1 0 405.564 3.087 50 0 HGAARO O=C(CCCn1nnc(-c2ccccc2)n1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000058017670 568876578 /nfs/dbraw/zinc/87/65/78/568876578.db2.gz KZMNGVAMVCDTNW-NRFANRHFSA-N 1 0 404.518 3.074 50 0 HGAARO COc1cc(C[NH2+][C@H]2CCCCNC2=O)cc(OC)c1OCCc1ccsc1 ZINC000299802204 568876772 /nfs/dbraw/zinc/87/67/72/568876772.db2.gz YAOUKYUQMOEKMO-KRWDZBQOSA-N 1 0 404.532 3.145 50 0 HGAARO Cn1nnc(-c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCCC3)cc2)n1 ZINC000670440772 568890477 /nfs/dbraw/zinc/89/04/77/568890477.db2.gz CKWZGFQHIDUWDF-NRFANRHFSA-N 1 0 404.518 3.224 50 0 HGAARO COc1ccc(CCNC(=O)N[C@@H](CN(C)C2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000058158653 568893776 /nfs/dbraw/zinc/89/37/76/568893776.db2.gz XLFFATITFGDWCF-DEOSSOPVSA-N 1 0 424.589 3.304 50 0 HGAARO COc1ccc(CC[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1OC ZINC000003401613 568896742 /nfs/dbraw/zinc/89/67/42/568896742.db2.gz UTIORZKNJBFTDB-MRXNPFEDSA-N 1 0 410.308 3.038 50 0 HGAARO CC(C)C[NH+](CCNC(=O)CCN1N=C(c2ccccc2)CCC1=O)CC(C)C ZINC000004712700 568936976 /nfs/dbraw/zinc/93/69/76/568936976.db2.gz HSVPMPAIVCVDQD-UHFFFAOYSA-N 1 0 400.567 3.133 50 0 HGAARO CCC[NH+](CCC)CCNC(=O)C[S@@](=O)Cc1nc(-c2ccc(C)cc2)oc1C ZINC000004079760 568938964 /nfs/dbraw/zinc/93/89/64/568938964.db2.gz KDORMSBCTJFZBI-GDLZYMKVSA-N 1 0 419.591 3.445 50 0 HGAARO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Br)c1C ZINC000002780821 568939054 /nfs/dbraw/zinc/93/90/54/568939054.db2.gz RXYGVGZLPDFBPQ-MWLCHTKSSA-N 1 0 413.282 3.380 50 0 HGAARO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Br)c1C ZINC000002780824 568939138 /nfs/dbraw/zinc/93/91/38/568939138.db2.gz RXYGVGZLPDFBPQ-ONGXEEELSA-N 1 0 413.282 3.380 50 0 HGAARO CC1(C)Cc2c(C(N)=O)c(NC(=O)c3ccc4c(c3)OCCO4)sc2C(C)(C)[NH2+]1 ZINC000004275260 568962045 /nfs/dbraw/zinc/96/20/45/568962045.db2.gz SFFCHJXKFSFBDD-UHFFFAOYSA-N 1 0 415.515 3.030 50 0 HGAARO COc1cccc([C@H](CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[NH+](C)C)c1 ZINC000007980412 568963518 /nfs/dbraw/zinc/96/35/18/568963518.db2.gz KKLJYELSLDNJBV-QFIPXVFZSA-N 1 0 424.545 3.358 50 0 HGAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)[NH+]1CCCC1 ZINC000008134023 568976645 /nfs/dbraw/zinc/97/66/45/568976645.db2.gz BTCMKZGIULGOEG-OAQYLSRUSA-N 1 0 407.514 3.389 50 0 HGAARO O=S(=O)(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000008156336 568977893 /nfs/dbraw/zinc/97/78/93/568977893.db2.gz AWENFUPNLYOOBK-UHFFFAOYSA-N 1 0 416.543 3.312 50 0 HGAARO CCCC[N@H+](CC)CCCNC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000015728121 568978853 /nfs/dbraw/zinc/97/88/53/568978853.db2.gz GDACXZNUWBPJJF-GOSISDBHSA-N 1 0 418.611 3.174 50 0 HGAARO CC[NH+](CC)CCCn1c(S[C@@H](C)C(=O)NC(C)C)nc2ccccc2c1=O ZINC000008247134 568985113 /nfs/dbraw/zinc/98/51/13/568985113.db2.gz KELXTSJOFIXTRQ-INIZCTEOSA-N 1 0 404.580 3.134 50 0 HGAARO CN1CCC([N@H+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000006083735 568996043 /nfs/dbraw/zinc/99/60/43/568996043.db2.gz QNHZXTRGJXXAGI-JOCHJYFZSA-N 1 0 404.501 3.458 50 0 HGAARO COc1ccc2c(c1)C[C@H](C(=O)NCC1CC[NH+](Cc3ccccc3F)CC1)CO2 ZINC000015786299 569007496 /nfs/dbraw/zinc/00/74/96/569007496.db2.gz WDJUKVIKPJKLCT-FQEVSTJZSA-N 1 0 412.505 3.414 50 0 HGAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc4cccc(F)c4n3)C[C@H]2CCO)CC1 ZINC000104406238 569008592 /nfs/dbraw/zinc/00/85/92/569008592.db2.gz OGZVPHRWMQVGBU-JOCHJYFZSA-N 1 0 414.569 3.115 50 0 HGAARO COc1cccc(CN2CCN(Cc3ccccc3OC(F)F)C[C@H]2CCO)c1 ZINC000104558731 569009054 /nfs/dbraw/zinc/00/90/54/569009054.db2.gz PQKPWRWFQLWFFX-LJQANCHMSA-N 1 0 406.473 3.365 50 0 HGAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000015825103 569011359 /nfs/dbraw/zinc/01/13/59/569011359.db2.gz GSDWQIFGJSVVQS-UHFFFAOYSA-N 1 0 400.914 3.393 50 0 HGAARO C[C@@H]1CCC[N@H+](CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000012858524 569011453 /nfs/dbraw/zinc/01/14/53/569011453.db2.gz CMDRFEMCQDXWLA-GFCCVEGCSA-N 1 0 405.848 3.488 50 0 HGAARO C[C@H]1C[NH+](CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C[C@H](C)O1 ZINC000012912229 569021814 /nfs/dbraw/zinc/02/18/14/569021814.db2.gz QDQHWLNSRKMVKL-HOTGVXAUSA-N 1 0 401.532 3.230 50 0 HGAARO CNC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000012912161 569021818 /nfs/dbraw/zinc/02/18/18/569021818.db2.gz WYKXSSWRBYLXQY-UHFFFAOYSA-N 1 0 409.486 3.158 50 0 HGAARO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016010115 569025605 /nfs/dbraw/zinc/02/56/05/569025605.db2.gz MKPIBSLBSTYPPT-MSZDEVHKSA-N 1 0 423.472 3.271 50 0 HGAARO O=C(CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NCCC[NH+]1CCCCC1 ZINC000035454044 569037915 /nfs/dbraw/zinc/03/79/15/569037915.db2.gz MZANTWSFRVRFSV-UHFFFAOYSA-N 1 0 410.562 3.402 50 0 HGAARO COc1cccc(-c2noc(-c3ccc(N4CC[N@@H+]5CCC[C@H]5C4)nc3)n2)c1OC ZINC000244685559 569055079 /nfs/dbraw/zinc/05/50/79/569055079.db2.gz ISKDFIMWBKCDHK-INIZCTEOSA-N 1 0 407.474 3.100 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@@H](C(C)C)[NH+](C)C)csc2C1 ZINC000426382874 569072536 /nfs/dbraw/zinc/07/25/36/569072536.db2.gz FCIODPGFIDFCCV-IBGZPJMESA-N 1 0 404.580 3.227 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)N(C)C3CC[NH+](C)CC3)csc2C1 ZINC000426395953 569072654 /nfs/dbraw/zinc/07/26/54/569072654.db2.gz MNHKOJVMTCDAGL-UHFFFAOYSA-N 1 0 402.564 3.077 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)NCC[NH+]3CCCCC3)csc2C1 ZINC000426712831 569074062 /nfs/dbraw/zinc/07/40/62/569074062.db2.gz VYTILUZCEFQZMY-UHFFFAOYSA-N 1 0 402.564 3.127 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426730375 569074070 /nfs/dbraw/zinc/07/40/70/569074070.db2.gz HHZPPVCWUVPQOM-MRXNPFEDSA-N 1 0 402.564 3.125 50 0 HGAARO COCCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COCc1ccccc1 ZINC000036095904 569089984 /nfs/dbraw/zinc/08/99/84/569089984.db2.gz OWVJMWKIZUKRPG-NRFANRHFSA-N 1 0 403.519 3.120 50 0 HGAARO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCC(C)C)c1 ZINC000036098471 569090830 /nfs/dbraw/zinc/09/08/30/569090830.db2.gz JJEVFARBIUGXSW-HXUWFJFHSA-N 1 0 401.503 3.460 50 0 HGAARO CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(CC[NH+](C)C)C(=O)C1CC1 ZINC000006695919 569091664 /nfs/dbraw/zinc/09/16/64/569091664.db2.gz VBGGIODYZYRTGJ-UHFFFAOYSA-N 1 0 402.583 3.428 50 0 HGAARO C[N@H+](CCCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21)Cc1ccccc1 ZINC000006782447 569120544 /nfs/dbraw/zinc/12/05/44/569120544.db2.gz DREMGAMSKVZXLY-UHFFFAOYSA-N 1 0 420.488 3.032 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369854 569124465 /nfs/dbraw/zinc/12/44/65/569124465.db2.gz WRMKBSBJQCLVBI-CVGQSACLSA-N 1 0 424.585 3.089 50 0 biogenic HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000019369862 569124510 /nfs/dbraw/zinc/12/45/10/569124510.db2.gz FXYPTAKKGKQTFF-AMBFMMJXSA-N 1 0 416.606 3.222 50 0 biogenic HGAARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2cccc(F)c2)CC1 ZINC000036340193 569141442 /nfs/dbraw/zinc/14/14/42/569141442.db2.gz NHVOYNKUCIPEER-OAQYLSRUSA-N 1 0 400.542 3.496 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036343628 569142334 /nfs/dbraw/zinc/14/23/34/569142334.db2.gz VKEGIACXXPFGQL-HSZRJFAPSA-N 1 0 420.557 3.319 50 0 HGAARO CC[NH+](CC)CCCNC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000006878102 569164936 /nfs/dbraw/zinc/16/49/36/569164936.db2.gz OWXJEVRKBCGEAC-UHFFFAOYSA-N 1 0 416.909 3.336 50 0 HGAARO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1)NCC[NH+]1CCCCCC1 ZINC000065245358 569205147 /nfs/dbraw/zinc/20/51/47/569205147.db2.gz HAUFRGWJEGNVQJ-LJQANCHMSA-N 1 0 414.598 3.040 50 0 HGAARO O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065255609 569207830 /nfs/dbraw/zinc/20/78/30/569207830.db2.gz PCEZICNRHAMLGD-UHFFFAOYSA-N 1 0 409.461 3.028 50 0 HGAARO COc1ccc(CNC(=O)c2cccnc2N2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000065255813 569208012 /nfs/dbraw/zinc/20/80/12/569208012.db2.gz SXLNJMYMTYQDTC-JOCHJYFZSA-N 1 0 402.498 3.171 50 0 HGAARO CCc1ccc([C@H](CNC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)[NH+](C)C)cc1 ZINC000036748066 569226038 /nfs/dbraw/zinc/22/60/38/569226038.db2.gz UJXZBKJSNGALAL-UXHICEINSA-N 1 0 416.953 3.421 50 0 HGAARO COc1ccc(Br)cc1CN(C)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000007266316 569230927 /nfs/dbraw/zinc/23/09/27/569230927.db2.gz CYWFADAMIZDJPC-UHFFFAOYSA-N 1 0 402.292 3.406 50 0 HGAARO Cc1cccc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)c1C ZINC000013579090 569256325 /nfs/dbraw/zinc/25/63/25/569256325.db2.gz LNAYSNNCRYWYLD-IBGZPJMESA-N 1 0 406.515 3.429 50 0 HGAARO C[C@@H](SC1=N[C@@H](c2c[nH]c3ccccc32)NC(=[NH2+])N1)C(=O)N1CCc2ccccc21 ZINC000013579102 569256360 /nfs/dbraw/zinc/25/63/60/569256360.db2.gz MNGDBVFBOPWMRL-YJYMSZOUSA-N 1 0 418.526 3.151 50 0 HGAARO O[C@H](COCc1cccs1)C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000089774526 569263780 /nfs/dbraw/zinc/26/37/80/569263780.db2.gz KRLFBOVKRHFLTK-BQFCYCMXSA-N 1 0 401.450 3.452 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C[C@H](O)C[NH+]2CCCCC2)c2ccc(F)cc2)cc1 ZINC000016839634 569264276 /nfs/dbraw/zinc/26/42/76/569264276.db2.gz FQJAXHFBNOQLSD-HXUWFJFHSA-N 1 0 406.523 3.176 50 0 HGAARO FC(F)(F)c1ccc(N2CC[NH+](C3CCN(Cc4ccncc4)CC3)CC2)nc1 ZINC000252492698 569290565 /nfs/dbraw/zinc/29/05/65/569290565.db2.gz MSSPXUHQAHLBNV-UHFFFAOYSA-N 1 0 405.468 3.282 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+](C)C)c2cc(Cl)ccc2Cl)cc1 ZINC000002202327 569295625 /nfs/dbraw/zinc/29/56/25/569295625.db2.gz QSWBEPXPPKTGDS-HNNXBMFYSA-N 1 0 417.358 3.420 50 0 HGAARO COc1ccc2cc(C[NH2+][C@@H]3CN4CCC3CC4)c(=O)n(Cc3ccccc3F)c2c1 ZINC000023362229 569357690 /nfs/dbraw/zinc/35/76/90/569357690.db2.gz PHXKVHJTNNHRFL-HSZRJFAPSA-N 1 0 421.516 3.381 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 ZINC000253408614 569366225 /nfs/dbraw/zinc/36/62/25/569366225.db2.gz YJLJKYDPMBVRMN-LJQANCHMSA-N 1 0 415.921 3.297 50 0 HGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000253412636 569366656 /nfs/dbraw/zinc/36/66/56/569366656.db2.gz ROXHLVNYKJLQGT-WMZHIEFXSA-N 1 0 416.525 3.380 50 0 biogenic HGAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2F)cc1 ZINC000013038338 569407742 /nfs/dbraw/zinc/40/77/42/569407742.db2.gz DQKYUWFGVJDNPJ-HNNXBMFYSA-N 1 0 407.511 3.146 50 0 HGAARO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013040382 569407981 /nfs/dbraw/zinc/40/79/81/569407981.db2.gz AIHXSZXTMAGJLH-GOSISDBHSA-N 1 0 415.559 3.239 50 0 HGAARO CCCNC(=O)C1([NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)CCCCC1 ZINC000079023264 569424434 /nfs/dbraw/zinc/42/44/34/569424434.db2.gz RFCLNRXSTVORPS-LJQANCHMSA-N 1 0 414.575 3.167 50 0 HGAARO OCCN1CC[NH+](CCn2c(-c3ccc(Cl)cc3)cn3c4ccccc4nc32)CC1 ZINC000019854845 569431229 /nfs/dbraw/zinc/43/12/29/569431229.db2.gz IAXMSYQYQQSZTM-UHFFFAOYSA-N 1 0 423.948 3.219 50 0 HGAARO CCC[N@@H+]1CCc2nc(SCC(=O)NCc3ccccc3Cl)[nH]c(=O)c2C1 ZINC000067291690 571067438 /nfs/dbraw/zinc/06/74/38/571067438.db2.gz POWVUOGITXFTSF-UHFFFAOYSA-N 1 0 406.939 3.012 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2cnn3c2nc(C)cc3C)[NH+]2CCCCC2)cc1 ZINC000040068943 571149124 /nfs/dbraw/zinc/14/91/24/571149124.db2.gz UYHRGXJAIBWWKC-NRFANRHFSA-N 1 0 407.518 3.312 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cccc(CS(C)(=O)=O)c2)C1 ZINC000040107129 571167664 /nfs/dbraw/zinc/16/76/64/571167664.db2.gz QHUDVLHGBNRCOV-GOSISDBHSA-N 1 0 414.571 3.393 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000040112295 571170437 /nfs/dbraw/zinc/17/04/37/571170437.db2.gz VIMYRFUQYPLMNJ-IBGZPJMESA-N 1 0 416.525 3.394 50 0 HGAARO CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000040120290 571176346 /nfs/dbraw/zinc/17/63/46/571176346.db2.gz KPCPFFGCUKCMBH-MRXNPFEDSA-N 1 0 411.468 3.045 50 0 HGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000009884398 571289357 /nfs/dbraw/zinc/28/93/57/571289357.db2.gz OQVXWPYSIPDLKL-QGZVFWFLSA-N 1 0 401.532 3.147 50 0 HGAARO O=C(C1C[NH+](C(c2ccccc2)c2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000071280911 571290638 /nfs/dbraw/zinc/29/06/38/571290638.db2.gz KUNACLVHRQRFKQ-UHFFFAOYSA-N 1 0 412.537 3.452 50 0 HGAARO O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010333862 571300604 /nfs/dbraw/zinc/30/06/04/571300604.db2.gz VXHVEPSMQYJVGE-QHCPKHFHSA-N 1 0 401.510 3.409 50 0 HGAARO O=C(NCc1cccs1)C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010334016 571300637 /nfs/dbraw/zinc/30/06/37/571300637.db2.gz FTJCINLBOKTOTD-OAQYLSRUSA-N 1 0 407.539 3.471 50 0 HGAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cnn2c1nc(C)cc2C ZINC000023110828 571307579 /nfs/dbraw/zinc/30/75/79/571307579.db2.gz XOFXKSYCXVOURN-UHFFFAOYSA-N 1 0 405.506 3.290 50 0 HGAARO Cc1ccc(-n2nc(C(=O)NCC[C@@H]3CCC[N@H+]3C)nc2Cc2ccccc2)cc1 ZINC000034911176 571316737 /nfs/dbraw/zinc/31/67/37/571316737.db2.gz FKNHMMCUZISHIH-FQEVSTJZSA-N 1 0 403.530 3.381 50 0 HGAARO CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000002376504 132253644 /nfs/dbraw/zinc/25/36/44/132253644.db2.gz QTHVBUNPYOSGEI-UHFFFAOYSA-N 1 0 412.559 3.354 50 0 HGAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1noc2c1CCCCC2 ZINC000006901809 132320172 /nfs/dbraw/zinc/32/01/72/132320172.db2.gz RWXKELQJDWXVIQ-UHFFFAOYSA-N 1 0 400.498 3.025 50 0 HGAARO CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)CC2=O)c1 ZINC000007988830 132326731 /nfs/dbraw/zinc/32/67/31/132326731.db2.gz TXSQXJHTURZQCC-KRWDZBQOSA-N 1 0 424.570 3.152 50 0 HGAARO O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000012307877 132358307 /nfs/dbraw/zinc/35/83/07/132358307.db2.gz YFJDDEGSIGHFJK-QHCPKHFHSA-N 1 0 407.558 3.350 50 0 HGAARO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000012557715 132363835 /nfs/dbraw/zinc/36/38/35/132363835.db2.gz JCWAYUSCMVZWHA-QHCPKHFHSA-N 1 0 404.514 3.341 50 0 HGAARO CC(C)C(=O)Nc1ccc2c(c1)nc1n2CC(=O)N(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000032124054 519524943 /nfs/dbraw/zinc/52/49/43/519524943.db2.gz NIIOKZHEXBIWMP-FXAWDEMLSA-N 1 0 423.561 3.238 50 0 biogenic HGAARO CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000032916506 521688992 /nfs/dbraw/zinc/68/89/92/521688992.db2.gz GLYNAEWHFYYAKM-UHFFFAOYSA-N 1 0 415.603 3.228 50 0 HGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1cccc(Cl)c1 ZINC000032518030 521744886 /nfs/dbraw/zinc/74/48/86/521744886.db2.gz VLEVXTWDHATWMA-PXNSSMCTSA-N 1 0 407.892 3.487 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(F)c1 ZINC000032216824 522008682 /nfs/dbraw/zinc/00/86/82/522008682.db2.gz WRNKSXYZYGVSLO-NRFANRHFSA-N 1 0 412.509 3.489 50 0 HGAARO COC(=O)c1sc(NC(=O)C[N@H+](C2CC2)C2CCCCC2)c(C(=O)OC)c1C ZINC000032913416 522424844 /nfs/dbraw/zinc/42/48/44/522424844.db2.gz VXHBOILHURBBFW-UHFFFAOYSA-N 1 0 408.520 3.365 50 0 HGAARO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000029482835 522509167 /nfs/dbraw/zinc/50/91/67/522509167.db2.gz MDOBJFGXXDEHGR-OAQYLSRUSA-N 1 0 413.543 3.029 50 0 HGAARO C[N@H+](CCCNC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000032765972 522755473 /nfs/dbraw/zinc/75/54/73/522755473.db2.gz DCROPYHRIPZRNY-LJQANCHMSA-N 1 0 402.926 3.078 50 0 HGAARO COc1cc(OC)c(C2=CC[N@H+](CCC(=O)Nc3cc(C)on3)CC2)c(OC)c1 ZINC000032860124 522791053 /nfs/dbraw/zinc/79/10/53/522791053.db2.gz TZRJAFQJEDHSIU-UHFFFAOYSA-N 1 0 401.463 3.127 50 0 HGAARO CN1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2cc(F)ccc2-n2cccn2)C[C@H]1CO ZINC000020599745 524030717 /nfs/dbraw/zinc/03/07/17/524030717.db2.gz IRHYWXAOHLBZKM-HFJQGTKSSA-N 1 0 412.484 3.294 50 0 HGAARO COc1cccc([C@H](CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[NH+](C)C)c1 ZINC000041950314 524158612 /nfs/dbraw/zinc/15/86/12/524158612.db2.gz LFQWHDCOMMFZTH-MJGOQNOKSA-N 1 0 405.539 3.061 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000032930732 524234756 /nfs/dbraw/zinc/23/47/56/524234756.db2.gz MMMFEDLPTPFDHV-HXUWFJFHSA-N 1 0 407.558 3.284 50 0 HGAARO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000032740373 524519945 /nfs/dbraw/zinc/51/99/45/524519945.db2.gz LGGVVJFQBVNWIW-QFBILLFUSA-N 1 0 403.548 3.137 50 0 HGAARO C[C@@H]1CN(C(=O)CCC(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)c2ccccc2O1 ZINC000245343757 524766434 /nfs/dbraw/zinc/76/64/34/524766434.db2.gz YTEQOHXBFOSWQV-GUDVDZBRSA-N 1 0 401.551 3.350 50 0 HGAARO CSc1cccc(N2C[C@@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CC2=O)c1 ZINC000032400605 526108684 /nfs/dbraw/zinc/10/86/84/526108684.db2.gz XASKRNFEZXDLOV-FQEVSTJZSA-N 1 0 423.582 3.326 50 0 HGAARO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]CCSc1ccc(C)c(C)c1 ZINC000032740422 526307554 /nfs/dbraw/zinc/30/75/54/526307554.db2.gz SGPVLTJHTWJPRE-SFHVURJKSA-N 1 0 407.605 3.358 50 0 HGAARO O=C(C[N@@H+]1CCC[C@@H](COCc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000056908420 526749962 /nfs/dbraw/zinc/74/99/62/526749962.db2.gz LEYMIFBWOPFBFO-HSZRJFAPSA-N 1 0 407.558 3.264 50 0 HGAARO O=CNc1ccc2c(c1)N(C(=O)CCN1CC[N@@H+]3CCC[C@H]3C1)c1ccccc1CC2 ZINC000245239724 527142811 /nfs/dbraw/zinc/14/28/11/527142811.db2.gz AIAKWXSQLVHIPC-QFIPXVFZSA-N 1 0 418.541 3.188 50 0 HGAARO Cc1ncc2c(c1-c1noc(C3CC[NH+](C)CC3)n1)CCN(C(=O)c1ccccc1)C2 ZINC000020599408 527316679 /nfs/dbraw/zinc/31/66/79/527316679.db2.gz UAXNSOGLVQCWAX-UHFFFAOYSA-N 1 0 417.513 3.448 50 0 HGAARO Cc1nn(C)c2nc(C)c(CCC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)c(C)c12 ZINC000032730278 527683361 /nfs/dbraw/zinc/68/33/61/527683361.db2.gz XMUADBYOVXQUTH-FQEVSTJZSA-N 1 0 411.525 3.384 50 0 HGAARO COc1cc2[nH+]cc(C(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)c2cc1OC ZINC000006820019 536895431 /nfs/dbraw/zinc/89/54/31/536895431.db2.gz LVWUKKATZNHUCY-UHFFFAOYSA-N 1 0 419.481 3.185 50 0 HGAARO COc1ccccc1N1CC[NH+](C2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000001166236 537068279 /nfs/dbraw/zinc/06/82/79/537068279.db2.gz PTCHBYFZBBZWNS-UHFFFAOYSA-N 1 0 409.530 3.211 50 0 HGAARO CCCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3cc(C)ccc3F)co2)CC1 ZINC000034677346 557364844 /nfs/dbraw/zinc/36/48/44/557364844.db2.gz LAMJZTVTUFWTSQ-KRWDZBQOSA-N 1 0 418.513 3.043 50 0 HGAARO C[NH+](C)CCNC(=O)[C@@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034710128 557389987 /nfs/dbraw/zinc/38/99/87/557389987.db2.gz SUPQUTHCNXNBFZ-AEFFLSMTSA-N 1 0 411.468 3.073 50 0 HGAARO C[NH+](C)CCNC(=O)[C@@H]1CC[C@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034710126 557390125 /nfs/dbraw/zinc/39/01/25/557390125.db2.gz SUPQUTHCNXNBFZ-SJLPKXTDSA-N 1 0 411.468 3.073 50 0 HGAARO O=C(c1nc2ccccn2c1C[NH2+]CCc1cccc2ccccc21)N1CCOCC1 ZINC000019720329 558259105 /nfs/dbraw/zinc/25/91/05/558259105.db2.gz CIJUTNMDDSVAQL-UHFFFAOYSA-N 1 0 414.509 3.292 50 0 HGAARO O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010691410 558259813 /nfs/dbraw/zinc/25/98/13/558259813.db2.gz CBFPIUXPJMQWQC-UHFFFAOYSA-N 1 0 407.514 3.397 50 0 HGAARO COc1cccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c1OC ZINC000019788017 558281855 /nfs/dbraw/zinc/28/18/55/558281855.db2.gz PYGRLAOVRMLFGV-UHFFFAOYSA-N 1 0 409.574 3.486 50 0 HGAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000019794655 558284043 /nfs/dbraw/zinc/28/40/43/558284043.db2.gz FMDKOGWIDDVOKM-UHFFFAOYSA-N 1 0 421.541 3.175 50 0 HGAARO CCC[N@@H+](Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1)CC1CC1 ZINC000011982204 558306092 /nfs/dbraw/zinc/30/60/92/558306092.db2.gz BFEISHJPKGPESK-UHFFFAOYSA-N 1 0 404.514 3.475 50 0 HGAARO O=C(C1CCOCC1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012055242 558315563 /nfs/dbraw/zinc/31/55/63/558315563.db2.gz JAQPUMSIJNQBMS-JOCHJYFZSA-N 1 0 418.553 3.472 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCN(C)[C@@H](C)C2)c1 ZINC000012058569 558316909 /nfs/dbraw/zinc/31/69/09/558316909.db2.gz FTODJFGJQSJMCE-SFHVURJKSA-N 1 0 415.578 3.257 50 0 HGAARO COc1ccc(COC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000020109658 558334676 /nfs/dbraw/zinc/33/46/76/558334676.db2.gz NMSVDAUDNGYHLW-FQEVSTJZSA-N 1 0 420.937 3.057 50 0 HGAARO O=C(NCc1ccccn1)c1cccc(OC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000012196505 558349794 /nfs/dbraw/zinc/34/97/94/558349794.db2.gz RKXYYIJYJIGDNE-UHFFFAOYSA-N 1 0 402.498 3.450 50 0 HGAARO CCCCCOc1ccc(/C=C2/SC(=O)N(CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000020265959 558352718 /nfs/dbraw/zinc/35/27/18/558352718.db2.gz BBVJBSBORAMWBE-XDJHFCHBSA-N 1 0 403.548 3.497 50 0 HGAARO CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@@H+](CC1CCCCC1)CC2 ZINC000012244530 558361053 /nfs/dbraw/zinc/36/10/53/558361053.db2.gz SSOUBQPSZTZQRC-OAQYLSRUSA-N 1 0 410.566 3.239 50 0 HGAARO O=C(CC1=CCCCC1)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012319833 558382081 /nfs/dbraw/zinc/38/20/81/558382081.db2.gz BQRACWGGLRLRSR-UHFFFAOYSA-N 1 0 424.589 3.291 50 0 HGAARO Cc1nn(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000020614321 558392072 /nfs/dbraw/zinc/39/20/72/558392072.db2.gz IIEKLOLXLQLENK-GOOCMWNKSA-N 1 0 421.467 3.377 50 0 HGAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)c(OC)c1 ZINC000012386027 558394790 /nfs/dbraw/zinc/39/47/90/558394790.db2.gz LBOSCTWNGUFEGM-KRWDZBQOSA-N 1 0 416.518 3.098 50 0 HGAARO CCOC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000012412536 558401186 /nfs/dbraw/zinc/40/11/86/558401186.db2.gz GNKWWMYSQVHRQX-KSMMKXTCSA-N 1 0 405.926 3.489 50 0 HGAARO COc1ccc(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1Cn1cncn1 ZINC000020780933 558412790 /nfs/dbraw/zinc/41/27/90/558412790.db2.gz HECOVNQJWHBSMS-DEOSSOPVSA-N 1 0 419.573 3.474 50 0 HGAARO CN(C(=O)COc1ncnc2ccccc21)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012443150 558412998 /nfs/dbraw/zinc/41/29/98/558412998.db2.gz UQFDMQPYMVCOEN-HXUWFJFHSA-N 1 0 416.525 3.099 50 0 HGAARO COc1ccc(-n2ccnc2CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000020905864 558420748 /nfs/dbraw/zinc/42/07/48/558420748.db2.gz BTKUCLKVOZMAQD-QFIPXVFZSA-N 1 0 412.578 3.330 50 0 HGAARO Cc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1C ZINC000020909219 558421669 /nfs/dbraw/zinc/42/16/69/558421669.db2.gz OBZHUORLYMSNTC-UHFFFAOYSA-N 1 0 407.493 3.022 50 0 HGAARO O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012582894 558433143 /nfs/dbraw/zinc/43/31/43/558433143.db2.gz COWIOGCWOGYWEJ-OAQYLSRUSA-N 1 0 404.514 3.493 50 0 HGAARO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000012588896 558435003 /nfs/dbraw/zinc/43/50/03/558435003.db2.gz PMABQWXAZVEHMT-OAQYLSRUSA-N 1 0 421.994 3.450 50 0 HGAARO CN(C(=O)c1cc2ccccc2oc1=O)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012590428 558435491 /nfs/dbraw/zinc/43/54/91/558435491.db2.gz MMJDIUPXTZPVAE-HXUWFJFHSA-N 1 0 402.494 3.497 50 0 HGAARO COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(F)cc3s2)cc1 ZINC000004359166 558448996 /nfs/dbraw/zinc/44/89/96/558448996.db2.gz CWJUXIIRGVKHPP-UHFFFAOYSA-N 1 0 401.463 3.430 50 0 HGAARO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000021795149 558449318 /nfs/dbraw/zinc/44/93/18/558449318.db2.gz QFTXWSWDQDCTCK-UHFFFAOYSA-N 1 0 410.522 3.138 50 0 HGAARO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000012711763 558453068 /nfs/dbraw/zinc/45/30/68/558453068.db2.gz JXHZRLPPBUQHCK-QFIPXVFZSA-N 1 0 409.530 3.284 50 0 HGAARO CCn1cc(CNC(=O)C2CC[NH+](C3CCN(Cc4ccccc4C)CC3)CC2)cn1 ZINC000012745036 558457888 /nfs/dbraw/zinc/45/78/88/558457888.db2.gz PPAXXXULZSLKLH-UHFFFAOYSA-N 1 0 423.605 3.204 50 0 HGAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000012988555 558496115 /nfs/dbraw/zinc/49/61/15/558496115.db2.gz VFOOAZCZTBOBLG-UHFFFAOYSA-N 1 0 424.570 3.484 50 0 HGAARO COc1ccc([C@@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)N2CCOCC2)cc1 ZINC000022789509 558511874 /nfs/dbraw/zinc/51/18/74/558511874.db2.gz DBXYBWASSMUFAY-LJQANCHMSA-N 1 0 422.472 3.468 50 0 HGAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000022935456 558526506 /nfs/dbraw/zinc/52/65/06/558526506.db2.gz MEKDXSJIQPXHIP-IBGZPJMESA-N 1 0 408.506 3.037 50 0 HGAARO COc1ccc2c(C)c(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)oc2c1OC ZINC000013572774 558542650 /nfs/dbraw/zinc/54/26/50/558542650.db2.gz QJLCXRSFMITHHF-UHFFFAOYSA-N 1 0 416.518 3.087 50 0 HGAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccc4nonc43)C2)CC1 ZINC000023373983 558554225 /nfs/dbraw/zinc/55/42/25/558554225.db2.gz RFCKWPUKMGJAKY-LJQANCHMSA-N 1 0 407.518 3.018 50 0 HGAARO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)cc1 ZINC000013670948 558562112 /nfs/dbraw/zinc/56/21/12/558562112.db2.gz ZYBXKIPWEBEHRQ-UHFFFAOYSA-N 1 0 401.532 3.012 50 0 HGAARO O=S(=O)(c1ccc(NCc2ccccc2C[NH+]2CCCC2)nc1)N1CCCCC1 ZINC000023818443 558576780 /nfs/dbraw/zinc/57/67/80/558576780.db2.gz KNSWYCJSDYJVQP-UHFFFAOYSA-N 1 0 414.575 3.464 50 0 HGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 ZINC000012448100 558592584 /nfs/dbraw/zinc/59/25/84/558592584.db2.gz NJOTWNXTGFCRNO-JOCHJYFZSA-N 1 0 420.557 3.075 50 0 HGAARO CCCn1nc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c2ccccc2c1=O ZINC000014248904 558649192 /nfs/dbraw/zinc/64/91/92/558649192.db2.gz HVVWZHAMXBQYJB-NRFANRHFSA-N 1 0 404.514 3.373 50 0 HGAARO CC(C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014532103 558656458 /nfs/dbraw/zinc/65/64/58/558656458.db2.gz IMIMBIBHEJDKIY-UHFFFAOYSA-N 1 0 406.530 3.332 50 0 HGAARO COCCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014741046 558666990 /nfs/dbraw/zinc/66/69/90/558666990.db2.gz MXFCLYSXVOGDND-UHFFFAOYSA-N 1 0 412.534 3.069 50 0 HGAARO CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000027333881 558672013 /nfs/dbraw/zinc/67/20/13/558672013.db2.gz ODMFZMHKDBTGQL-ICSRJNTNSA-N 1 0 401.482 3.126 50 0 HGAARO C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000014883622 558677001 /nfs/dbraw/zinc/67/70/01/558677001.db2.gz PYJZJMHPBPNGNU-UGKGYDQZSA-N 1 0 409.530 3.179 50 0 HGAARO O=C(Cc1c(F)cccc1F)NC[C@@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000014884381 558677144 /nfs/dbraw/zinc/67/71/44/558677144.db2.gz LVHZKKHDSPHFSH-SFHVURJKSA-N 1 0 415.484 3.232 50 0 HGAARO COc1cccc(CN2CCN(C3CC[NH+](CCc4ccccc4)CC3)CCC2=O)c1 ZINC000014886708 558677620 /nfs/dbraw/zinc/67/76/20/558677620.db2.gz XDVDFHRKBGQFRB-UHFFFAOYSA-N 1 0 421.585 3.437 50 0 HGAARO Cn1cc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cn1 ZINC000014980800 558691267 /nfs/dbraw/zinc/69/12/67/558691267.db2.gz DUXFSWFTXJZENW-UHFFFAOYSA-N 1 0 401.470 3.334 50 0 HGAARO COc1ccc(NC(=O)CCC2CC[NH+](Cc3cnn(C)c3C)CC2)c(OC)c1 ZINC000014981107 558691541 /nfs/dbraw/zinc/69/15/41/558691541.db2.gz RTNCNTAEWYCYBI-UHFFFAOYSA-N 1 0 400.523 3.377 50 0 HGAARO CN(Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000015064857 558707820 /nfs/dbraw/zinc/70/78/20/558707820.db2.gz QIJFHFKPQQNKMC-QFIPXVFZSA-N 1 0 406.574 3.417 50 0 HGAARO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000015066316 558708979 /nfs/dbraw/zinc/70/89/79/558708979.db2.gz KZURAADQHPYANY-LJQANCHMSA-N 1 0 418.559 3.031 50 0 HGAARO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000072304912 558756778 /nfs/dbraw/zinc/75/67/78/558756778.db2.gz VZBVBJCYFVLQGD-OAHLLOKOSA-N 1 0 416.440 3.307 50 0 HGAARO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000072305207 558757782 /nfs/dbraw/zinc/75/77/82/558757782.db2.gz YVNSUGAXMHFDBV-INIZCTEOSA-N 1 0 424.471 3.031 50 0 HGAARO O=C(CCNC(=O)c1ccc(Cl)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988636 558765526 /nfs/dbraw/zinc/76/55/26/558765526.db2.gz FUDOYRNVCJLELC-SFHVURJKSA-N 1 0 403.910 3.396 50 0 HGAARO CC[NH+](CC)Cc1ccccc1CNC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000016140479 558773657 /nfs/dbraw/zinc/77/36/57/558773657.db2.gz KGLKNQYOBIXDEP-UHFFFAOYSA-N 1 0 418.497 3.301 50 0 HGAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000034880550 558786641 /nfs/dbraw/zinc/78/66/41/558786641.db2.gz VLLJMMUWEYSLRX-CROMWVBPSA-N 1 0 421.884 3.080 50 0 HGAARO C[C@H](Cc1cnccn1)NC(=O)C1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039354917 558820254 /nfs/dbraw/zinc/82/02/54/558820254.db2.gz LBLNGKJPGWDPBS-LJQANCHMSA-N 1 0 400.526 3.193 50 0 HGAARO COc1ccc(F)c(CN2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)c1 ZINC000039379468 558820704 /nfs/dbraw/zinc/82/07/04/558820704.db2.gz ATGBTZGRARBOCN-UHFFFAOYSA-N 1 0 403.542 3.133 50 0 HGAARO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)cc2)s1 ZINC000033011030 558830363 /nfs/dbraw/zinc/83/03/63/558830363.db2.gz HJFBOUGKRAQWMC-UHFFFAOYSA-N 1 0 423.542 3.351 50 0 HGAARO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2)s1 ZINC000033022778 558838150 /nfs/dbraw/zinc/83/81/50/558838150.db2.gz TVUOHGVCFQOKMF-HNNXBMFYSA-N 1 0 415.563 3.347 50 0 HGAARO C[C@H](CCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1)[NH+]1CCCC1 ZINC000033023088 558839337 /nfs/dbraw/zinc/83/93/37/558839337.db2.gz WEJCUBKXPRHHBC-CQSZACIVSA-N 1 0 413.547 3.272 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c(OCc2ccccc2)co1)Cc1ccccc1 ZINC000072314351 558845388 /nfs/dbraw/zinc/84/53/88/558845388.db2.gz XHOMMKAEDWKHOT-HXUWFJFHSA-N 1 0 406.482 3.122 50 0 HGAARO CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CCCCCC3)c2)C1 ZINC000033035908 558860012 /nfs/dbraw/zinc/86/00/12/558860012.db2.gz IADOLEUEKDSFAH-OAQYLSRUSA-N 1 0 400.567 3.201 50 0 HGAARO CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCC[NH+]3CCC(C)CC3)C2)s1 ZINC000033078443 558867923 /nfs/dbraw/zinc/86/79/23/558867923.db2.gz BTSJCHQWHGDTND-QGZVFWFLSA-N 1 0 415.607 3.318 50 0 HGAARO Cc1c(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3F)C2)c(=O)n(-c2ccccc2)n1C ZINC000055036635 558870130 /nfs/dbraw/zinc/87/01/30/558870130.db2.gz HPPARZKBZXTMNP-RUZDIDTESA-N 1 0 423.532 3.441 50 0 HGAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)NCCc4ccco4)CC3)CC2)n1 ZINC000055100369 558872658 /nfs/dbraw/zinc/87/26/58/558872658.db2.gz NJZXOKJTDAUZDI-UHFFFAOYSA-N 1 0 410.562 3.018 50 0 HGAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000057997478 558893736 /nfs/dbraw/zinc/89/37/36/558893736.db2.gz LUOXQBIVETZRHH-LJQANCHMSA-N 1 0 423.542 3.312 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-c2nc3ccccc3n(C)c2=O)cc1 ZINC000033171805 558900572 /nfs/dbraw/zinc/90/05/72/558900572.db2.gz BGUPJDGQBLUKJQ-QGZVFWFLSA-N 1 0 404.514 3.205 50 0 HGAARO Cc1ccc(C2=NN(CC(=O)NCCC[NH+](CC(C)C)CC(C)C)C(=O)CC2)cc1 ZINC000004709317 558914106 /nfs/dbraw/zinc/91/41/06/558914106.db2.gz ZLJQDOUEXFQCTI-UHFFFAOYSA-N 1 0 414.594 3.442 50 0 HGAARO CC1CC[NH+](CC2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCC5)CC2)CC1 ZINC000058296518 558917076 /nfs/dbraw/zinc/91/70/76/558917076.db2.gz XKZMZCVVAAVWRA-UHFFFAOYSA-N 1 0 400.592 3.417 50 0 HGAARO Cc1cc2nc(C)c(=O)n(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2cc1C ZINC000033254790 558920093 /nfs/dbraw/zinc/92/00/93/558920093.db2.gz GRBRYFJUNRPMBC-UHFFFAOYSA-N 1 0 418.541 3.103 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(CC[NH+](C)C)c2ccccc2)c1 ZINC000058440725 558927594 /nfs/dbraw/zinc/92/75/94/558927594.db2.gz NNKBCCFSIREAJI-UHFFFAOYSA-N 1 0 417.575 3.234 50 0 HGAARO COc1ccc2c(c1)C=C(CN1CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C1)CO2 ZINC000019635668 558947531 /nfs/dbraw/zinc/94/75/31/558947531.db2.gz VMVGWGCBOBCOLS-DEOSSOPVSA-N 1 0 422.569 3.472 50 0 HGAARO COc1cc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc(OC)c1OC ZINC000065361939 558972568 /nfs/dbraw/zinc/97/25/68/558972568.db2.gz ARVYLFFKHVVDMU-UHFFFAOYSA-N 1 0 400.475 3.438 50 0 HGAARO CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CC[N@H+](C)C(C)(C)C3)nc2)C1 ZINC000067947761 558994871 /nfs/dbraw/zinc/99/48/71/558994871.db2.gz BHTWQSPJLJEGQZ-LJQANCHMSA-N 1 0 400.567 3.079 50 0 HGAARO COc1cc2cc(C[N@H+](C)C[C@H](O)CO)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000077505933 559007671 /nfs/dbraw/zinc/00/76/71/559007671.db2.gz HEDWCHSKLFNNDV-SFHVURJKSA-N 1 0 416.905 3.357 50 0 HGAARO Cc1cc(NC(=O)C(=O)NCC2CC[NH+](Cc3ccco3)CC2)c2ccccc2n1 ZINC000023127494 559015857 /nfs/dbraw/zinc/01/58/57/559015857.db2.gz GOYUAOHPJXCBTH-UHFFFAOYSA-N 1 0 406.486 3.103 50 0 HGAARO COc1cc(/C=C/C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1OC(C)C ZINC000023181395 559031345 /nfs/dbraw/zinc/03/13/45/559031345.db2.gz FTURNMGDEIBBGQ-HNDWKTGHSA-N 1 0 404.551 3.500 50 0 HGAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082083323 559036516 /nfs/dbraw/zinc/03/65/16/559036516.db2.gz JZAUWTPJZKTXQH-HSZRJFAPSA-N 1 0 406.574 3.117 50 0 HGAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082100084 559038102 /nfs/dbraw/zinc/03/81/02/559038102.db2.gz TWJIYHPHJFSBFM-HSZRJFAPSA-N 1 0 406.574 3.117 50 0 HGAARO COC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)c(NC(=O)c2ccccc2OC)c1 ZINC000033278764 559042300 /nfs/dbraw/zinc/04/23/00/559042300.db2.gz QLHGWFBCSNXVFR-UHFFFAOYSA-N 1 0 411.502 3.265 50 0 HGAARO O=C1CN(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C(=O)N1CC(F)(F)F ZINC000585148553 559059859 /nfs/dbraw/zinc/05/98/59/559059859.db2.gz ZUYRCAISQKPEMO-UHFFFAOYSA-N 1 0 423.357 3.496 50 0 HGAARO COc1ccnc(C[NH+]2CCC3(CC(=O)N(Cc4cc(F)cc(F)c4)C3)CC2)c1 ZINC000095360604 559079944 /nfs/dbraw/zinc/07/99/44/559079944.db2.gz MTXDCJVYQCONFA-UHFFFAOYSA-N 1 0 401.457 3.383 50 0 HGAARO O=C(c1c[nH]cn1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095502298 559082631 /nfs/dbraw/zinc/08/26/31/559082631.db2.gz OHSVOMWBJGWQGX-LJQANCHMSA-N 1 0 400.498 3.082 50 0 HGAARO COc1ccc(CN2CCc3sccc3C2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095523550 559085609 /nfs/dbraw/zinc/08/56/09/559085609.db2.gz NOSDYEUDXRAJED-LJQANCHMSA-N 1 0 402.560 3.151 50 0 HGAARO Cc1nc(CN(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)no1 ZINC000095523622 559085619 /nfs/dbraw/zinc/08/56/19/559085619.db2.gz IESGDADYBIOZJC-FQEVSTJZSA-N 1 0 402.514 3.410 50 0 HGAARO O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000247714417 559113484 /nfs/dbraw/zinc/11/34/84/559113484.db2.gz MKPIBSLBSTYPPT-BOCITWAFSA-N 1 0 423.472 3.271 50 0 HGAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000247801591 559119155 /nfs/dbraw/zinc/11/91/55/559119155.db2.gz VZRZWBFGPKVRJF-OALUTQOASA-N 1 0 419.591 3.312 50 0 HGAARO O=C1C[C@H](N2CC[NH+](CCCc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100216003 559178725 /nfs/dbraw/zinc/17/87/25/559178725.db2.gz DISGQYQXKDBPIV-NRFANRHFSA-N 1 0 411.933 3.222 50 0 HGAARO CC(C)c1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCC3)cc1 ZINC000004851716 559191208 /nfs/dbraw/zinc/19/12/08/559191208.db2.gz LZHRUCZOAQUVLT-UHFFFAOYSA-N 1 0 414.575 3.148 50 0 HGAARO C[NH+](C)CCCn1c2c(c(SCC(=O)Nc3cccc(Cl)c3)nc1=O)CCC2 ZINC000004851782 559191294 /nfs/dbraw/zinc/19/12/94/559191294.db2.gz XCGOUJWMTKZMOX-UHFFFAOYSA-N 1 0 420.966 3.068 50 0 HGAARO COc1ccc(-c2noc(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000004933277 559211003 /nfs/dbraw/zinc/21/10/03/559211003.db2.gz XVFHKYJTPCOZBS-UHFFFAOYSA-N 1 0 420.513 3.459 50 0 HGAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C ZINC000004938948 559211601 /nfs/dbraw/zinc/21/16/01/559211601.db2.gz WPHDYUBGDWPYSY-IRXDYDNUSA-N 1 0 408.546 3.413 50 0 aggregator HGAARO CC[NH+](CC)CCN(CCC(F)(F)F)CC(=O)Nc1cc(OC)ccc1OC ZINC000079053519 560541553 /nfs/dbraw/zinc/54/15/53/560541553.db2.gz FXWOYUBXABFRRE-UHFFFAOYSA-N 1 0 405.461 3.239 50 0 HGAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)c1 ZINC000005484056 560596768 /nfs/dbraw/zinc/59/67/68/560596768.db2.gz GDXJQZFJTRLPIA-YJLYGGOZSA-N 1 0 423.513 3.432 50 0 HGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000005704759 560802634 /nfs/dbraw/zinc/80/26/34/560802634.db2.gz JEVFQJURPBJKJP-FQEVSTJZSA-N 1 0 410.518 3.477 50 0 HGAARO O=C(NCc1ccco1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000104914755 560856650 /nfs/dbraw/zinc/85/66/50/560856650.db2.gz DMJVILRMVFFLMO-LADGPHEKSA-N 1 0 401.510 3.459 50 0 HGAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)Nc1cccnc1N1CCCC1 ZINC000048276387 568435582 /nfs/dbraw/zinc/43/55/82/568435582.db2.gz HKYZAQJUSIKNFQ-FQEVSTJZSA-N 1 0 422.577 3.404 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC000048310879 568436796 /nfs/dbraw/zinc/43/67/96/568436796.db2.gz DWGDDUAHLDNZPL-HDICACEKSA-N 1 0 414.571 3.498 50 0 HGAARO COc1ccc(-c2noc(CCCC(=O)NCc3ccc(C[NH+](C)C)cc3)n2)cc1 ZINC000048300480 568437464 /nfs/dbraw/zinc/43/74/64/568437464.db2.gz XFNAQWUIGFADCL-UHFFFAOYSA-N 1 0 408.502 3.446 50 0 HGAARO CC(=O)N1CCc2cc(C(=O)N[C@@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)ccc21 ZINC000048326415 568439757 /nfs/dbraw/zinc/43/97/57/568439757.db2.gz SLHQNVWTHTYKHY-OAQYLSRUSA-N 1 0 419.525 3.314 50 0 HGAARO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000048332039 568439852 /nfs/dbraw/zinc/43/98/52/568439852.db2.gz XVSUPBPZAKJNMG-UHFFFAOYSA-N 1 0 409.577 3.239 50 0 HGAARO CSc1ncc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1-c1ccccc1 ZINC000048355737 568441573 /nfs/dbraw/zinc/44/15/73/568441573.db2.gz LJYDFLFZUYACKS-IRXDYDNUSA-N 1 0 402.564 3.213 50 0 HGAARO CC[N@@H+]1CCc2ncnc(SCC(=O)Nc3ccc(Br)cc3)c2C1 ZINC000049401006 568447589 /nfs/dbraw/zinc/44/75/89/568447589.db2.gz RCQFQFXPIZERHA-UHFFFAOYSA-N 1 0 407.337 3.348 50 0 HGAARO FC(F)(F)c1ccc(-c2noc(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)n2)cc1 ZINC000006678573 568457323 /nfs/dbraw/zinc/45/73/23/568457323.db2.gz VFQGZIAZHIRPPQ-HNNXBMFYSA-N 1 0 410.440 3.300 50 0 HGAARO COCc1cc(C)[nH+]c(NNC=C2C(C)=NN(c3ccc(Cl)cc3)C2=O)c1C#N ZINC000095471030 568509492 /nfs/dbraw/zinc/50/94/92/568509492.db2.gz BEYVTGCUYUKWRX-VCHYOVAHSA-N 1 0 410.865 3.285 50 0 HGAARO Cc1n[nH]cc1CCCNC(=O)[C@@H](C)C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000095400401 568604968 /nfs/dbraw/zinc/60/49/68/568604968.db2.gz FGGYGJMKMODPIH-SFHVURJKSA-N 1 0 421.545 3.167 50 0 HGAARO O=C(CCc1ccccc1Br)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000095444994 568611539 /nfs/dbraw/zinc/61/15/39/568611539.db2.gz NFWBWQJZRLZGPZ-MOPGFXCFSA-N 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ZINC000021174716 568677011 /nfs/dbraw/zinc/67/70/11/568677011.db2.gz MAYFPRATQZDBKP-UHFFFAOYSA-N 1 0 424.545 3.408 50 0 HGAARO CCC[C@@H]1CN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC[N@@H+]1CCOC ZINC000095993275 568678072 /nfs/dbraw/zinc/67/80/72/568678072.db2.gz VMOHIQYDZLSLFW-NHCUHLMSSA-N 1 0 416.610 3.453 50 0 HGAARO O=C(NCC[N@H+]1CCC[C@H](O)C1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000012429254 568721922 /nfs/dbraw/zinc/72/19/22/568721922.db2.gz XWSLLGYHWQVGSW-SFHVURJKSA-N 1 0 413.905 3.259 50 0 HGAARO Cc1ccc(-n2c(CC(=O)NCC[N@H+]3CCCC[C@@H]3C)c3[nH]cccc-3c2=O)cc1 ZINC000096386977 568743775 /nfs/dbraw/zinc/74/37/75/568743775.db2.gz BPYJVMITHDWYSX-RXVVDRJESA-N 1 0 406.530 3.472 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 ZINC000021886147 568758611 /nfs/dbraw/zinc/75/86/11/568758611.db2.gz HUBBWGXKIROQKD-NRFANRHFSA-N 1 0 407.562 3.352 50 0 HGAARO CCC[NH+]1CCN(CCCNc2nc3c(cnn3C)c(Nc3ccc(C)cc3)n2)CC1 ZINC000021928934 568761510 /nfs/dbraw/zinc/76/15/10/568761510.db2.gz 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CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]CCc3ccccc3OC)CC2)c1 ZINC000299757359 568873005 /nfs/dbraw/zinc/87/30/05/568873005.db2.gz IDAYQLHTZDPYBX-UHFFFAOYSA-N 1 0 417.575 3.258 50 0 HGAARO C[NH+](C)CCNC(=O)[C@@H]1C[C@H](Sc2ccc(F)cc2)CN1Cc1ccccc1F ZINC000299785096 568875417 /nfs/dbraw/zinc/87/54/17/568875417.db2.gz ZHLHVPOQDJTOGS-FPOVZHCZSA-N 1 0 419.541 3.378 50 0 HGAARO Cc1ccc(C[NH+]2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cc1 ZINC000299787519 568875665 /nfs/dbraw/zinc/87/56/65/568875665.db2.gz MTBUDESHDONICE-HSZRJFAPSA-N 1 0 412.505 3.405 50 0 HGAARO CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@@H](O)C[N@H+](C)Cc1ccccc1)C2=O ZINC000058167328 568895497 /nfs/dbraw/zinc/89/54/97/568895497.db2.gz BVCLBYHIMDQNRW-VIHQBZHPSA-N 1 0 415.578 3.396 50 0 HGAARO COc1ccc([C@H]2Sc3ccccc3N(CC[NH+](C)C)C(=O)[C@H]2OC(C)=O)cc1 ZINC000000601259 568930020 /nfs/dbraw/zinc/93/00/20/568930020.db2.gz HSUGRBWQSSZJOP-LEWJYISDSA-N 1 0 414.527 3.369 50 0 in-man HGAARO COc1ccc([C@@H]2Sc3ccccc3N(CC[NH+](C)C)C(=O)[C@H]2OC(C)=O)cc1 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COC(=O)c1ccc(-c2ccco2)n1CC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000006871317 569161973 /nfs/dbraw/zinc/16/19/73/569161973.db2.gz ARVBHFVRNUXASJ-UHFFFAOYSA-N 1 0 421.497 3.099 50 0 HGAARO Cc1ccc2ncc(C(=O)NCc3ccccc3C[N@H+]3CCC[C@@H](C)C3)c(=O)n2c1 ZINC000036390704 569165905 /nfs/dbraw/zinc/16/59/05/569165905.db2.gz UTQIJWVVCRVWJV-QGZVFWFLSA-N 1 0 404.514 3.165 50 0 HGAARO CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccccc1C[NH+](C)C ZINC000006882024 569168172 /nfs/dbraw/zinc/16/81/72/569168172.db2.gz CIBUWTWXHXCEIA-OAQYLSRUSA-N 1 0 413.587 3.225 50 0 HGAARO O=C(Cc1ccccc1)N1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000036395498 569168745 /nfs/dbraw/zinc/16/87/45/569168745.db2.gz OGBGEZOFZDCZCW-QHCPKHFHSA-N 1 0 419.569 3.249 50 0 HGAARO CCC[NH+](CCC)CCNC(=O)c1ccc(C[S@](=O)c2ccc(OC)cc2)o1 ZINC000006895625 569175498 /nfs/dbraw/zinc/17/54/98/569175498.db2.gz DNYDSYPZDJRBRI-MUUNZHRXSA-N 1 0 406.548 3.448 50 0 HGAARO CCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153548 569187511 /nfs/dbraw/zinc/18/75/11/569187511.db2.gz CWAJJAGJAFEDHF-UHFFFAOYSA-N 1 0 402.498 3.003 50 0 HGAARO CCC[NH+]1CCN(C(=O)Cn2c(C)cc(-c3nnc(-c4ccccc4)o3)c2C)CC1 ZINC000065194860 569192921 /nfs/dbraw/zinc/19/29/21/569192921.db2.gz XOQNRBPJCZMURX-UHFFFAOYSA-N 1 0 407.518 3.376 50 0 HGAARO Cc1ccc(-c2nnc(N3CCC(C(=O)NCC[NH+]4CCCCCC4)CC3)o2)cc1 ZINC000065229618 569200510 /nfs/dbraw/zinc/20/05/10/569200510.db2.gz DPXNLNSCWRJQMH-UHFFFAOYSA-N 1 0 411.550 3.254 50 0 HGAARO COc1ccc(CNC(=O)c2cccnc2N2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000065255812 569208080 /nfs/dbraw/zinc/20/80/80/569208080.db2.gz SXLNJMYMTYQDTC-QFIPXVFZSA-N 1 0 402.498 3.171 50 0 HGAARO COc1cccc(CNC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)c1 ZINC000065256309 569208429 /nfs/dbraw/zinc/20/84/29/569208429.db2.gz GUJJUCRTQPEAPQ-QFIPXVFZSA-N 1 0 402.498 3.171 50 0 HGAARO O=C(NC1CC1)c1ccc(N2CC[C@H]([NH2+]Cc3ccc(Br)cc3)C2)nc1 ZINC000065256964 569208518 /nfs/dbraw/zinc/20/85/18/569208518.db2.gz FLRNYSVFBBWYBG-SFHVURJKSA-N 1 0 415.335 3.105 50 0 HGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(Br)ccc2OC(F)F)N1 ZINC000007127553 569225430 /nfs/dbraw/zinc/22/54/30/569225430.db2.gz JXIRPCLYUMHNBH-CYBMUJFWSA-N 1 0 408.206 3.497 50 0 HGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc(Br)ccc2OC(F)F)N1 ZINC000007127560 569225452 /nfs/dbraw/zinc/22/54/52/569225452.db2.gz JXIRPCLYUMHNBH-ZDUSSCGKSA-N 1 0 408.206 3.497 50 0 HGAARO Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000007274116 569231570 /nfs/dbraw/zinc/23/15/70/569231570.db2.gz JPSGRVDYLVVDMO-UHFFFAOYSA-N 1 0 408.531 3.297 50 0 HGAARO C[NH+](C)C[C@@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)[C@@H](O)c1ccccc1 ZINC000065479322 569231645 /nfs/dbraw/zinc/23/16/45/569231645.db2.gz BPDDWYHHXDCHAE-QRWLVFNGSA-N 1 0 419.909 3.144 50 0 HGAARO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065585904 569236431 /nfs/dbraw/zinc/23/64/31/569236431.db2.gz IKPGIWCZSXJBSX-VWNXMTODSA-N 1 0 407.558 3.220 50 0 HGAARO CC1(C)Oc2ccc(NC(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)cc2O1 ZINC000170593777 569241297 /nfs/dbraw/zinc/24/12/97/569241297.db2.gz ATBQFAWLARIERC-LJQANCHMSA-N 1 0 411.502 3.472 50 0 HGAARO [NH2+]=C1NC(SCC(=O)Nc2cccc(Cl)c2)=N[C@@H](c2c[nH]c3ccccc32)N1 ZINC000013579217 569256444 /nfs/dbraw/zinc/25/64/44/569256444.db2.gz NLZRGGFTFMXGJE-KRWDZBQOSA-N 1 0 412.906 3.466 50 0 HGAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 ZINC000016780799 569263064 /nfs/dbraw/zinc/26/30/64/569263064.db2.gz JOGLJXOUXCMVEZ-UHFFFAOYSA-N 1 0 422.504 3.452 50 0 HGAARO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089791046 569266265 /nfs/dbraw/zinc/26/62/65/569266265.db2.gz IXXGBLUGLVDKAX-VXKWHMMOSA-N 1 0 411.521 3.361 50 0 HGAARO COCCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000016993353 569270817 /nfs/dbraw/zinc/27/08/17/569270817.db2.gz SYVLNQLWWGBXCZ-QFIPXVFZSA-N 1 0 400.519 3.339 50 0 HGAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000017012565 569271598 /nfs/dbraw/zinc/27/15/98/569271598.db2.gz KKQWMMVKUFQSGT-UHFFFAOYSA-N 1 0 419.451 3.366 50 0 HGAARO Cc1cccc(C(=O)N2CCC[N@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000170639685 569281356 /nfs/dbraw/zinc/28/13/56/569281356.db2.gz UGUZSXWUBGIULH-IBGZPJMESA-N 1 0 401.551 3.400 50 0 HGAARO C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000252444476 569286039 /nfs/dbraw/zinc/28/60/39/569286039.db2.gz KWNGISCZCBLWBT-CJNGLKHVSA-N 1 0 415.515 3.172 50 0 HGAARO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252467351 569287103 /nfs/dbraw/zinc/28/71/03/569287103.db2.gz FLAOMGQMEJREFG-GCJKJVERSA-N 1 0 413.587 3.422 50 0 HGAARO CC(C)c1cc(C(=O)N2Cc3ccc(CN4CC[NH+](C)CC4)cc3C2)c(O)cc1O ZINC000043208226 569292413 /nfs/dbraw/zinc/29/24/13/569292413.db2.gz IFRGXKKQHBVPCQ-UHFFFAOYSA-N 1 0 409.530 3.125 50 0 investigational HGAARO COCC(=O)N(c1ccc(OC)c(OC)c1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037560384 569306922 /nfs/dbraw/zinc/30/69/22/569306922.db2.gz XFTBRPBLBZTZHY-UHFFFAOYSA-N 1 0 416.493 3.487 50 0 HGAARO CC[NH+](CC)CCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@H](C)C4 ZINC000002214590 569309745 /nfs/dbraw/zinc/30/97/45/569309745.db2.gz GZWGKUUWTLCKSB-ZDUSSCGKSA-N 1 0 414.579 3.234 50 0 HGAARO CC[NH+](CC)CCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@@H](C)C4 ZINC000002214588 569309779 /nfs/dbraw/zinc/30/97/79/569309779.db2.gz GZWGKUUWTLCKSB-CYBMUJFWSA-N 1 0 414.579 3.234 50 0 HGAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)C2)CC1 ZINC000581819687 569320700 /nfs/dbraw/zinc/32/07/00/569320700.db2.gz CATAXIACOWCJRH-QFIPXVFZSA-N 1 0 424.589 3.348 50 0 HGAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000002253855 569326118 /nfs/dbraw/zinc/32/61/18/569326118.db2.gz GOKQVHHBOIENNV-ZIAGYGMSSA-N 1 0 417.506 3.421 50 0 HGAARO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC([NH+](CC)CC)CC1 ZINC000055262738 569397270 /nfs/dbraw/zinc/39/72/70/569397270.db2.gz PFXFGPVTEBBDEA-UHFFFAOYSA-N 1 0 419.385 3.343 50 0 HGAARO COc1ccc([C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1OC ZINC000012660092 569402584 /nfs/dbraw/zinc/40/25/84/569402584.db2.gz RZTRQDYTALSTEQ-HZPDHXFCSA-N 1 0 401.459 3.094 50 0 biogenic HGAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH+]1CCN(c3ccccc3)CC1)C2 ZINC000014741099 569409358 /nfs/dbraw/zinc/40/93/58/569409358.db2.gz DAQOYBHSHLTENM-OAQYLSRUSA-N 1 0 421.589 3.116 50 0 HGAARO CCC[NH+]1CCC(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)CC1 ZINC000078702643 569417549 /nfs/dbraw/zinc/41/75/49/569417549.db2.gz GJLYBTJXXCCELD-UHFFFAOYSA-N 1 0 403.542 3.111 50 0 HGAARO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CC[NH+](CC)CC1 ZINC000019790456 569429846 /nfs/dbraw/zinc/42/98/46/569429846.db2.gz BMIJDQJIHIMKEW-UHFFFAOYSA-N 1 0 415.559 3.476 50 0 HGAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)cc1 ZINC000008817740 571121399 /nfs/dbraw/zinc/12/13/99/571121399.db2.gz LLMXCEQVXZVKLR-KRWDZBQOSA-N 1 0 424.831 3.327 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2nccs2)CC1)c1cccc(OC)c1 ZINC000040071231 571151991 /nfs/dbraw/zinc/15/19/91/571151991.db2.gz HCLHSGPNMDXOSM-LJQANCHMSA-N 1 0 417.579 3.066 50 0 HGAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)COc2ccccc2Cl)CC1 ZINC000040089829 571159628 /nfs/dbraw/zinc/15/96/28/571159628.db2.gz OSRLYJXRKDYPMJ-UHFFFAOYSA-N 1 0 401.938 3.173 50 0 HGAARO CC(C)[C@H](CNC(=O)c1cc(Br)ccc1Cl)[NH+]1CCN(C)CC1 ZINC000040092503 571161466 /nfs/dbraw/zinc/16/14/66/571161466.db2.gz ZOYHVESNGDHZNA-INIZCTEOSA-N 1 0 402.764 3.104 50 0 HGAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)CCOc1ccccc1F ZINC000040103802 571164496 /nfs/dbraw/zinc/16/44/96/571164496.db2.gz SUEJPMLNDGLILL-UHFFFAOYSA-N 1 0 400.498 3.429 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000040107111 571167686 /nfs/dbraw/zinc/16/76/86/571167686.db2.gz FSZYCOMHSFIOPK-GOSISDBHSA-N 1 0 414.571 3.393 50 0 HGAARO Cc1ccn2c(c1)ncc(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c2=O ZINC000040112322 571170449 /nfs/dbraw/zinc/17/04/49/571170449.db2.gz MFVQRYMWNOGQJY-SFHVURJKSA-N 1 0 404.514 3.165 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)Cc1ccccc1 ZINC000069491400 571228492 /nfs/dbraw/zinc/22/84/92/571228492.db2.gz FSIIREQSOCKLCF-RTWAWAEBSA-N 1 0 401.595 3.483 50 0 HGAARO CCC(CC)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2ccncc2)C3)c1C ZINC000069966783 571251540 /nfs/dbraw/zinc/25/15/40/571251540.db2.gz VODLRVIUGUXHAI-UHFFFAOYSA-N 1 0 418.545 3.447 50 0 HGAARO CC[NH+](CC)CCn1cnc2c(c(C)c(C)n2-c2ccc(Br)cn2)c1=N ZINC000009423353 571257515 /nfs/dbraw/zinc/25/75/15/571257515.db2.gz AEQUJMGFANZBHR-UHFFFAOYSA-N 1 0 417.355 3.423 50 0 HGAARO CSc1ncc(C(=O)NCCC[NH+]2CCN(c3cc(C)ccc3C)CC2)c(C)n1 ZINC000006900277 132320191 /nfs/dbraw/zinc/32/01/91/132320191.db2.gz IIHUMTPNOIARDQ-UHFFFAOYSA-N 1 0 413.591 3.066 50 0 HGAARO COc1ccccc1[C@H]1[C@H](C(=O)NCC[NH+](C)C)CCC(=O)N1c1ccc(C)cc1 ZINC000007987382 132326743 /nfs/dbraw/zinc/32/67/43/132326743.db2.gz NNDOECCHAVBTMV-OFNKIYASSA-N 1 0 409.530 3.166 50 0 HGAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C[C@@H](C)O2 ZINC000009287013 132338227 /nfs/dbraw/zinc/33/82/27/132338227.db2.gz CJWXNQKTDINBEM-HSALFYBXSA-N 1 0 415.578 3.373 50 0 HGAARO C[C@H](Cc1cncs1)[NH2+]C1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1 ZINC000012151791 132355274 /nfs/dbraw/zinc/35/52/74/132355274.db2.gz GNNSUOBYZGARFC-MRXNPFEDSA-N 1 0 422.558 3.375 50 0 HGAARO C[NH+](C)CCNc1nnnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000012390254 132359413 /nfs/dbraw/zinc/35/94/13/132359413.db2.gz GBOYQXZLCRXDEB-UHFFFAOYSA-N 1 0 411.579 3.477 50 0 HGAARO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032399034 519820007 /nfs/dbraw/zinc/82/00/07/519820007.db2.gz LQSSUHLMADYJJS-QFIPXVFZSA-N 1 0 411.521 3.145 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 ZINC000031984572 520835242 /nfs/dbraw/zinc/83/52/42/520835242.db2.gz VBHHOOQOVGGJLV-AEFFLSMTSA-N 1 0 403.548 3.393 50 0 HGAARO CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CC[NH+](CC)CC1 ZINC000019910734 521370893 /nfs/dbraw/zinc/37/08/93/521370893.db2.gz YDLZGFYRUKRSDL-UHFFFAOYSA-N 1 0 405.520 3.069 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)C1CCCCC1 ZINC000041642193 522068682 /nfs/dbraw/zinc/06/86/82/522068682.db2.gz PQEIPINNSBALMH-MRXNPFEDSA-N 1 0 414.319 3.153 50 0 HGAARO CNS(=O)(=O)c1ccc(-c2ccc(C[NH2+]CCCn3cnc4ccccc43)o2)cc1 ZINC000032860473 522274738 /nfs/dbraw/zinc/27/47/38/522274738.db2.gz UMVBTKOTKIABBI-UHFFFAOYSA-N 1 0 424.526 3.384 50 0 HGAARO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCc2ccccc21 ZINC000029482837 522509292 /nfs/dbraw/zinc/50/92/92/522509292.db2.gz MDOBJFGXXDEHGR-NRFANRHFSA-N 1 0 413.543 3.029 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3cc(C(C)C)n[nH]3)C[C@@H]2CCO)c(C)c1C ZINC000020539371 524033386 /nfs/dbraw/zinc/03/33/86/524033386.db2.gz JEETWZPEWNJZQD-NRFANRHFSA-N 1 0 400.567 3.227 50 0 HGAARO C[C@@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000072297869 525085878 /nfs/dbraw/zinc/08/58/78/525085878.db2.gz ZVSYDZKYKYZOBF-JBEBIEQOSA-N 1 0 417.413 3.429 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+](C)C)cc1OC ZINC000032622649 525357412 /nfs/dbraw/zinc/35/74/12/525357412.db2.gz NHCMPMVUSCTLPV-HNNXBMFYSA-N 1 0 401.488 3.453 50 0 HGAARO CSc1cccc(N2C[C@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CC2=O)c1 ZINC000032400608 526107678 /nfs/dbraw/zinc/10/76/78/526107678.db2.gz XASKRNFEZXDLOV-HXUWFJFHSA-N 1 0 423.582 3.326 50 0 HGAARO CC[NH+]1CCN(c2ccccc2NC(=O)CCCNC(=O)c2ccsc2)CC1 ZINC000012641164 535754792 /nfs/dbraw/zinc/75/47/92/535754792.db2.gz GKEKMZGTKLMUPY-UHFFFAOYSA-N 1 0 400.548 3.039 50 0 HGAARO CCOC(=O)c1ccc(C(=O)c2ccc(C[NH+]3CCC4(CC3)OCCO4)cc2)cc1 ZINC000002514725 557353756 /nfs/dbraw/zinc/35/37/56/557353756.db2.gz NBWBPKZCTPCXPR-UHFFFAOYSA-N 1 0 409.482 3.433 50 0 HGAARO CCCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(C)c3)co2)CC1 ZINC000034677312 557364613 /nfs/dbraw/zinc/36/46/13/557364613.db2.gz RBHOVEYXFIRQLN-FQEVSTJZSA-N 1 0 414.550 3.212 50 0 HGAARO COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1Br ZINC000010544046 557420181 /nfs/dbraw/zinc/42/01/81/557420181.db2.gz LTJBWQVGFSIDCC-ZIAGYGMSSA-N 1 0 419.385 3.104 50 0 HGAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)COc2ccc(Cl)cc2)c1=N ZINC000005016324 557626106 /nfs/dbraw/zinc/62/61/06/557626106.db2.gz BMYZMZJZHZOWRG-GOSISDBHSA-N 1 0 416.953 3.357 50 0 HGAARO COc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)cc1Br ZINC000007616243 557751918 /nfs/dbraw/zinc/75/19/18/557751918.db2.gz OUCADVWMWBRVRJ-UHFFFAOYSA-N 1 0 419.385 3.354 50 0 HGAARO CN(c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1)S(C)(=O)=O ZINC000010334117 557860963 /nfs/dbraw/zinc/86/09/63/557860963.db2.gz GULRGVUQBREHIB-UHFFFAOYSA-N 1 0 401.532 3.321 50 0 HGAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)o1 ZINC000019742115 558262447 /nfs/dbraw/zinc/26/24/47/558262447.db2.gz DYBWFGSGQTVQHS-FQEVSTJZSA-N 1 0 422.533 3.150 50 0 HGAARO Cc1nc[nH]c1C[NH+]1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000011662431 558266150 /nfs/dbraw/zinc/26/61/50/558266150.db2.gz KWDZKCNHKJQBIO-UHFFFAOYSA-N 1 0 408.506 3.159 50 0 HGAARO COc1cc(OC)c([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@H+]24)cc1OC ZINC000011712272 558271450 /nfs/dbraw/zinc/27/14/50/558271450.db2.gz XFUOXTZEDKGEMW-WIRVKHDMSA-N 1 0 400.519 3.393 50 0 HGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCCC1=O ZINC000011764975 558273846 /nfs/dbraw/zinc/27/38/46/558273846.db2.gz ZWDZVCYKAZTVNC-LJQANCHMSA-N 1 0 405.970 3.065 50 0 HGAARO COc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)cc1O ZINC000011783972 558275352 /nfs/dbraw/zinc/27/53/52/558275352.db2.gz PPRXQYBOTFAXTE-HXUWFJFHSA-N 1 0 410.514 3.344 50 0 HGAARO Cc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCc3nc4ccccc4n3C)CC2)n1 ZINC000011789624 558277156 /nfs/dbraw/zinc/27/71/56/558277156.db2.gz KCBAQQGEMSFQIZ-FQEVSTJZSA-N 1 0 417.557 3.238 50 0 HGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)c(F)c1 ZINC000019770176 558279265 /nfs/dbraw/zinc/27/92/65/558279265.db2.gz SEJLZCMKPILOPA-QFIPXVFZSA-N 1 0 424.520 3.089 50 0 HGAARO Cc1c[nH]c(CN(C)Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)n1 ZINC000011819994 558283466 /nfs/dbraw/zinc/28/34/66/558283466.db2.gz UALNFFONHGBELV-OAQYLSRUSA-N 1 0 400.567 3.354 50 0 HGAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000019812138 558287136 /nfs/dbraw/zinc/28/71/36/558287136.db2.gz ZLXZRECWFSZIIL-UHFFFAOYSA-N 1 0 410.474 3.066 50 0 HGAARO Cc1ccc(CN2CCC([NH+]3CCC(C(=O)NCc4ccccn4)CC3)CC2)s1 ZINC000011844099 558288715 /nfs/dbraw/zinc/28/87/15/558288715.db2.gz UGMZMLGHQLIILZ-UHFFFAOYSA-N 1 0 412.603 3.444 50 0 HGAARO COc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4cccnc4)O3)CC2)cc1C ZINC000011970867 558304762 /nfs/dbraw/zinc/30/47/62/558304762.db2.gz GPGLAQTVVLISTR-OAQYLSRUSA-N 1 0 409.530 3.342 50 0 HGAARO COCC(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccc(OC)c4ccccc34)CC2)O1 ZINC000011997464 558307120 /nfs/dbraw/zinc/30/71/20/558307120.db2.gz AVBYHLJLEBQLIN-LJQANCHMSA-N 1 0 412.530 3.125 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C(C)C ZINC000012021371 558309489 /nfs/dbraw/zinc/30/94/89/558309489.db2.gz JMKIPCJLHUDXNZ-INIZCTEOSA-N 1 0 408.506 3.260 50 0 HGAARO O=C1CC[N@@H+](Cc2cccn2-c2ccccn2)CCN1CCOc1ccc(F)cc1 ZINC000012078107 558320446 /nfs/dbraw/zinc/32/04/46/558320446.db2.gz FMOWQOLLSZUYPH-UHFFFAOYSA-N 1 0 408.477 3.125 50 0 HGAARO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000020138112 558337941 /nfs/dbraw/zinc/33/79/41/558337941.db2.gz WZRLCVMIBSORLN-KRWDZBQOSA-N 1 0 405.376 3.086 50 0 HGAARO COc1ccc(CN(C)Cc2csc(C)n2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012197962 558350609 /nfs/dbraw/zinc/35/06/09/558350609.db2.gz KHNUIOFLFDUAJZ-FQEVSTJZSA-N 1 0 419.591 3.318 50 0 HGAARO O=C1C[C@H]([NH2+]CC2CCCCC2)C(=O)N1c1ccc(I)cc1 ZINC000020271348 558352788 /nfs/dbraw/zinc/35/27/88/558352788.db2.gz AJAPBXKAEIYKCD-HNNXBMFYSA-N 1 0 412.271 3.093 50 0 HGAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2nc3ccccc3n2C)c1 ZINC000012240763 558360316 /nfs/dbraw/zinc/36/03/16/558360316.db2.gz IYWMMJOVYALKKK-IBGZPJMESA-N 1 0 406.530 3.295 50 0 HGAARO CC(C)C(=O)NC[C@H]1CCC2(CC[NH+](C[C@@H](C)Cc3ccc4c(c3)OCO4)CC2)O1 ZINC000012245849 558361657 /nfs/dbraw/zinc/36/16/57/558361657.db2.gz SVUBMDQQQXWQFY-AZUAARDMSA-N 1 0 416.562 3.380 50 0 HGAARO Cn1cc(CCC(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000012304369 558373649 /nfs/dbraw/zinc/37/36/49/558373649.db2.gz JZEMFVLRONSBTR-UHFFFAOYSA-N 1 0 409.578 3.431 50 0 HGAARO COc1cccc(-c2nc3ccc(C(=O)NCC[N@@H+]4CCCC[C@H]4CO)cc3o2)c1 ZINC000012313939 558377549 /nfs/dbraw/zinc/37/75/49/558377549.db2.gz UWEQHSIJOBKSDC-SFHVURJKSA-N 1 0 409.486 3.080 50 0 HGAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cnccn2)CC1 ZINC000012385902 558394686 /nfs/dbraw/zinc/39/46/86/558394686.db2.gz GMFQNXZSQBWAEZ-JOCHJYFZSA-N 1 0 408.546 3.318 50 0 HGAARO COc1cc(CN2CCSCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012387413 558396082 /nfs/dbraw/zinc/39/60/82/558396082.db2.gz ZFHZYSRKLULEGP-HXUWFJFHSA-N 1 0 408.608 3.248 50 0 HGAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N3CCSCC3)CC2)CC1 ZINC000020727311 558405207 /nfs/dbraw/zinc/40/52/07/558405207.db2.gz LFTNETGJQGUHIA-UHFFFAOYSA-N 1 0 401.620 3.247 50 0 HGAARO C[N@H+](CCc1ccccc1)C1(C(=O)N2CCc3n[nH]cc3C2)Cc2ccccc2C1 ZINC000012439301 558410884 /nfs/dbraw/zinc/41/08/84/558410884.db2.gz UKWYTJCPDCYZFZ-UHFFFAOYSA-N 1 0 400.526 3.007 50 0 HGAARO COC[C@H]1CCN(C(=O)c2cccc(OC3CC[NH+](Cc4ccncc4)CC3)c2)C1 ZINC000012449084 558415921 /nfs/dbraw/zinc/41/59/21/558415921.db2.gz ZHUXBPUNCQQBTB-FQEVSTJZSA-N 1 0 409.530 3.234 50 0 HGAARO COc1cc(CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)cc(OC)c1OC ZINC000012454945 558416938 /nfs/dbraw/zinc/41/69/38/558416938.db2.gz ASGOUDXWGYJTBR-LJQANCHMSA-N 1 0 404.551 3.416 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCc2ccncn2)c1 ZINC000012458180 558418248 /nfs/dbraw/zinc/41/82/48/558418248.db2.gz DMMOPIKZCBVNOV-UHFFFAOYSA-N 1 0 410.518 3.201 50 0 HGAARO Cn1cc(C(=O)N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c(=O)c2ccccc21 ZINC000012574191 558430360 /nfs/dbraw/zinc/43/03/60/558430360.db2.gz UMMQVTFIOPLQTA-FQEVSTJZSA-N 1 0 403.526 3.318 50 0 HGAARO O=C(CSc1ccccc1)N1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000012576215 558430884 /nfs/dbraw/zinc/43/08/84/558430884.db2.gz YRSLWUIPRBEYPL-UHFFFAOYSA-N 1 0 415.603 3.104 50 0 HGAARO O=C(NCCn1cccn1)c1cccc(OC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000012749489 558458896 /nfs/dbraw/zinc/45/88/96/558458896.db2.gz HGJVQCXBNNXTMT-UHFFFAOYSA-N 1 0 418.541 3.399 50 0 HGAARO O=c1c2ccccc2nnn1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022039710 558459466 /nfs/dbraw/zinc/45/94/66/558459466.db2.gz KXDXJJPWMQAKOV-UHFFFAOYSA-N 1 0 411.509 3.156 50 0 HGAARO COC(=O)CCCC(=O)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012760808 558461131 /nfs/dbraw/zinc/46/11/31/558461131.db2.gz XRPINWLZIKITOL-KRWDZBQOSA-N 1 0 408.489 3.369 50 0 HGAARO Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1-c1ccccc1Cl ZINC000012792557 558466411 /nfs/dbraw/zinc/46/64/11/558466411.db2.gz FELATJOWLIWOQJ-IBGZPJMESA-N 1 0 410.905 3.227 50 0 HGAARO Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012975019 558490750 /nfs/dbraw/zinc/49/07/50/558490750.db2.gz XELLTJYWPCNVFU-UHFFFAOYSA-N 1 0 421.501 3.270 50 0 HGAARO CCc1nc2sc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)c(C)c2c(C)n1 ZINC000022611595 558502291 /nfs/dbraw/zinc/50/22/91/558502291.db2.gz ZGJBLSSKFOFIGF-UHFFFAOYSA-N 1 0 410.547 3.270 50 0 HGAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 ZINC000022693992 558504735 /nfs/dbraw/zinc/50/47/35/558504735.db2.gz AQMJXHSSHATNFY-HXUWFJFHSA-N 1 0 409.530 3.275 50 0 HGAARO COc1ccc([C@@H](C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)N2CCOCC2)cc1 ZINC000022789497 558511933 /nfs/dbraw/zinc/51/19/33/558511933.db2.gz UCCUDYXXDBBGLU-LJQANCHMSA-N 1 0 422.472 3.468 50 0 HGAARO CC[NH+]1CCN(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)CC1 ZINC000022852907 558517156 /nfs/dbraw/zinc/51/71/56/558517156.db2.gz BVASEXUJNYQHIP-QFIPXVFZSA-N 1 0 423.605 3.301 50 0 HGAARO O=C(CSc1nnc(CCC2CCCC2)[nH]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000023080919 558533899 /nfs/dbraw/zinc/53/38/99/558533899.db2.gz BJTJTHUFKMANSM-LJQANCHMSA-N 1 0 413.591 3.410 50 0 HGAARO CCN1CCC([NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3cccc4ccccc43)C2)CC1 ZINC000023362914 558552468 /nfs/dbraw/zinc/55/24/68/558552468.db2.gz NEBKXUILVUADMW-NOZRDPDXSA-N 1 0 422.617 3.381 50 0 HGAARO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)CC1 ZINC000023374776 558554545 /nfs/dbraw/zinc/55/45/45/558554545.db2.gz YIQOXRWEUIZLFK-HSZRJFAPSA-N 1 0 409.574 3.153 50 0 HGAARO Cc1noc2nc(-c3cccs3)cc(C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)c12 ZINC000023509675 558560405 /nfs/dbraw/zinc/56/04/05/558560405.db2.gz CISDEXNLVBRHEI-ZIAGYGMSSA-N 1 0 414.531 3.489 50 0 HGAARO COC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000004452353 558588639 /nfs/dbraw/zinc/58/86/39/558588639.db2.gz ADRMXWZYTIGXGZ-XOQVKLMPSA-N 1 0 410.514 3.301 50 0 HGAARO O=C(CCNC(=O)NCc1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024745858 558609532 /nfs/dbraw/zinc/60/95/32/558609532.db2.gz XLIOONODZDKJMW-UHFFFAOYSA-N 1 0 408.546 3.178 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1Cl ZINC000024986731 558625265 /nfs/dbraw/zinc/62/52/65/558625265.db2.gz SPACSRNDUJLHRQ-GOSISDBHSA-N 1 0 401.894 3.484 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2cncc(Br)c2)[NH+]2CCCC2)cc1 ZINC000014184548 558629841 /nfs/dbraw/zinc/62/98/41/558629841.db2.gz KCJVTQCJGAOIAV-SFHVURJKSA-N 1 0 404.308 3.420 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]CCCc1ccccc1)CC2 ZINC000014533286 558656776 /nfs/dbraw/zinc/65/67/76/558656776.db2.gz KHVKBRSHBGTSFU-LJQANCHMSA-N 1 0 406.530 3.365 50 0 HGAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+]([C@H]1CCc3ccccc3C1)CC2 ZINC000014536438 558658205 /nfs/dbraw/zinc/65/82/05/558658205.db2.gz JDNLSGFYPUTWKR-QFIPXVFZSA-N 1 0 418.541 3.258 50 0 HGAARO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]C1Cc3ccccc3C1)CC2 ZINC000014744405 558668436 /nfs/dbraw/zinc/66/84/36/558668436.db2.gz PFFDNQVTIHYAQO-OAQYLSRUSA-N 1 0 414.553 3.307 50 0 HGAARO CSC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccccc1 ZINC000014746283 558669158 /nfs/dbraw/zinc/66/91/58/558669158.db2.gz VOKKJWUSOLFGFC-GOSISDBHSA-N 1 0 403.592 3.488 50 0 HGAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1cc(-c3ccccc3)on1)C2 ZINC000014747571 558669716 /nfs/dbraw/zinc/66/97/16/558669716.db2.gz WFHHWTUDNZRWKQ-GOSISDBHSA-N 1 0 419.529 3.441 50 0 HGAARO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000027498441 558673710 /nfs/dbraw/zinc/67/37/10/558673710.db2.gz PJWWVYFGFMHCKH-FCHUYYIVSA-N 1 0 422.529 3.152 50 0 HGAARO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[NH2+]C[C@@H]1CCCO1 ZINC000014882892 558676700 /nfs/dbraw/zinc/67/67/00/558676700.db2.gz LZHVAUMCKGPGNA-INIZCTEOSA-N 1 0 412.515 3.441 50 0 HGAARO CC[N@H+](C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014955744 558682478 /nfs/dbraw/zinc/68/24/78/558682478.db2.gz VFDSLGOGCBSIRD-QFIPXVFZSA-N 1 0 401.595 3.283 50 0 HGAARO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000028017721 558689664 /nfs/dbraw/zinc/68/96/64/558689664.db2.gz BZHRNDRKCPONGV-KRWDZBQOSA-N 1 0 418.563 3.065 50 0 HGAARO COCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1ccc(F)cc1)C3 ZINC000014984122 558692600 /nfs/dbraw/zinc/69/26/00/558692600.db2.gz FCOLMYYJEBNRQK-MRXNPFEDSA-N 1 0 401.507 3.281 50 0 HGAARO CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000015006611 558699356 /nfs/dbraw/zinc/69/93/56/558699356.db2.gz HMWNRHGDJXBCBN-IFMALSPDSA-N 1 0 412.578 3.118 50 0 HGAARO COc1ccc2c(C)c(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc2c1 ZINC000028349599 558699578 /nfs/dbraw/zinc/69/95/78/558699578.db2.gz DIBZKXKHRBMLOY-UWJYYQICSA-N 1 0 412.530 3.423 50 0 HGAARO C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015043464 558704304 /nfs/dbraw/zinc/70/43/04/558704304.db2.gz ORZAHIHXWILKII-QGZVFWFLSA-N 1 0 407.514 3.411 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccsc1 ZINC000029140758 558710743 /nfs/dbraw/zinc/71/07/43/558710743.db2.gz CLFHSNUCSFSSCG-INIZCTEOSA-N 1 0 424.364 3.050 50 0 HGAARO CCOC(=O)c1cnn(-c2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)c1C ZINC000072282587 558713633 /nfs/dbraw/zinc/71/36/33/558713633.db2.gz JXBGZMMNONHKPX-WOJBJXKFSA-N 1 0 411.506 3.106 50 0 HGAARO C/C(=C\c1ccco1)CN1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000015078343 558717705 /nfs/dbraw/zinc/71/77/05/558717705.db2.gz LGAKCPKERZBXHJ-BBIZSYTBSA-N 1 0 415.578 3.155 50 0 HGAARO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304994 558757060 /nfs/dbraw/zinc/75/70/60/558757060.db2.gz HHPIENICULYOPB-UXHICEINSA-N 1 0 403.592 3.031 50 0 HGAARO Cc1nc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000033326842 558766882 /nfs/dbraw/zinc/76/68/82/558766882.db2.gz PKNJAOPMLRLXNK-UHFFFAOYSA-N 1 0 416.476 3.408 50 0 HGAARO CC[NH+](CC)CCN(CC(=O)Nc1ccc2c(c1)CCN2C(C)=O)Cc1ccccc1 ZINC000072308257 558769886 /nfs/dbraw/zinc/76/98/86/558769886.db2.gz FTIOKEPRDXZHFR-UHFFFAOYSA-N 1 0 422.573 3.378 50 0 HGAARO CC[NH+](CC)CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000072308255 558769934 /nfs/dbraw/zinc/76/99/34/558769934.db2.gz AVEBJSIVMRYUEJ-UHFFFAOYSA-N 1 0 424.589 3.306 50 0 HGAARO C[C@H](CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000035421895 558791538 /nfs/dbraw/zinc/79/15/38/558791538.db2.gz NLMMDQQWLWYXSP-QGZVFWFLSA-N 1 0 415.484 3.033 50 0 HGAARO Cc1cc(C)nc(CNC(=O)C2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)n1 ZINC000039551840 558822463 /nfs/dbraw/zinc/82/24/63/558822463.db2.gz ZRKMWFVCYGQAKI-UHFFFAOYSA-N 1 0 400.526 3.379 50 0 HGAARO CCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000033011431 558830813 /nfs/dbraw/zinc/83/08/13/558830813.db2.gz COVMAPPMBNIEJE-HNNXBMFYSA-N 1 0 415.563 3.347 50 0 HGAARO COc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000019148509 558847036 /nfs/dbraw/zinc/84/70/36/558847036.db2.gz FWVJNODULSMMHV-QGZVFWFLSA-N 1 0 405.498 3.230 50 0 HGAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(N4CCNC4=O)cc3)C2)cc1OC ZINC000019223702 558852305 /nfs/dbraw/zinc/85/23/05/558852305.db2.gz YVCBCJJHVFADSM-IBGZPJMESA-N 1 0 423.513 3.328 50 0 HGAARO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(CCCC(F)(F)F)CC2)CC1 ZINC000019225198 558852554 /nfs/dbraw/zinc/85/25/54/558852554.db2.gz WFLUTGGLYYRWAU-UHFFFAOYSA-N 1 0 412.500 3.217 50 0 HGAARO Cc1cccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)n1 ZINC000019300265 558866361 /nfs/dbraw/zinc/86/63/61/558866361.db2.gz QRNPODXUUVTTFS-IBGZPJMESA-N 1 0 422.533 3.150 50 0 HGAARO O=C(NCC[NH+]1CCCCCC1)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088542 558870388 /nfs/dbraw/zinc/87/03/88/558870388.db2.gz BADNARQKQZMGAM-UHFFFAOYSA-N 1 0 422.411 3.009 50 0 HGAARO COc1ccc(CN(C)Cc2nccs2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000055242838 558876911 /nfs/dbraw/zinc/87/69/11/558876911.db2.gz KSTJAIDYOBHNEE-GOSISDBHSA-N 1 0 405.564 3.009 50 0 HGAARO Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1CCOc1ccccc1 ZINC000058008535 558894917 /nfs/dbraw/zinc/89/49/17/558894917.db2.gz CRXPKDBLIVBNOJ-UHFFFAOYSA-N 1 0 404.514 3.022 50 0 HGAARO CC1CC[NH+](Cc2cccc(CNC(=O)c3cccc(N4CCNC4=O)c3)c2)CC1 ZINC000058178134 558909852 /nfs/dbraw/zinc/90/98/52/558909852.db2.gz OSKXFJCFTYVNIF-UHFFFAOYSA-N 1 0 406.530 3.378 50 0 HGAARO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)ccc1OC ZINC000058343251 558920656 /nfs/dbraw/zinc/92/06/56/558920656.db2.gz WCZFLVSNHRGBRY-QGZVFWFLSA-N 1 0 417.550 3.145 50 0 HGAARO O=C(NCC[NH+]1CCCCC1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000058412567 558925098 /nfs/dbraw/zinc/92/50/98/558925098.db2.gz QWPSUPOANKZLBC-MRXNPFEDSA-N 1 0 409.372 3.061 50 0 HGAARO C[C@@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000058415924 558925271 /nfs/dbraw/zinc/92/52/71/558925271.db2.gz JBJMMQAHGMGAEP-RBUKOAKNSA-N 1 0 410.537 3.398 50 0 HGAARO O=C(c1ccc[nH]1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072174327 558930500 /nfs/dbraw/zinc/93/05/00/558930500.db2.gz IQPAZJTZORTLAO-GOSISDBHSA-N 1 0 406.452 3.460 50 0 HGAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)CC1 ZINC000059314160 558933830 /nfs/dbraw/zinc/93/38/30/558933830.db2.gz MUZAEIQRTCDZOQ-OAQYLSRUSA-N 1 0 411.521 3.190 50 0 HGAARO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn32)cc1 ZINC000059336028 558934196 /nfs/dbraw/zinc/93/41/96/558934196.db2.gz WYBBDKAXWZNHTP-HXUWFJFHSA-N 1 0 407.518 3.427 50 0 HGAARO Cc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc(N2CCCC2)[nH+]1 ZINC000064799726 558965538 /nfs/dbraw/zinc/96/55/38/558965538.db2.gz GFJPIFPWBVUSNO-UHFFFAOYSA-N 1 0 403.889 3.140 50 0 HGAARO COc1ccc([C@H]2CC(=O)Nc3c2cnn3C2CC[NH+](C)CC2)c(Cl)c1OC ZINC000065380832 558976805 /nfs/dbraw/zinc/97/68/05/558976805.db2.gz SUJSUMQCKHRNLV-CQSZACIVSA-N 1 0 404.898 3.295 50 0 HGAARO O=C(CCc1[nH]nc2c1CCCC2)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000067472745 558986739 /nfs/dbraw/zinc/98/67/39/558986739.db2.gz FVYCHQLBJLWUJO-OAQYLSRUSA-N 1 0 421.589 3.034 50 0 HGAARO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000067770236 558992705 /nfs/dbraw/zinc/99/27/05/558992705.db2.gz BJKCZXJBBZUSEG-UHFFFAOYSA-N 1 0 407.518 3.129 50 0 HGAARO C[N@H+](CCCN1CC2(CCN(C(=O)c3ccc[nH]3)CC2)OC1=O)C1CCCCC1 ZINC000077339693 559001797 /nfs/dbraw/zinc/00/17/97/559001797.db2.gz BPVWGPBJXCEKNR-UHFFFAOYSA-N 1 0 402.539 3.096 50 0 HGAARO CSc1cccc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000023127518 559015850 /nfs/dbraw/zinc/01/58/50/559015850.db2.gz XZZDCGUAGJDBIE-UHFFFAOYSA-N 1 0 403.573 3.437 50 0 HGAARO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)on1 ZINC000082092669 559037079 /nfs/dbraw/zinc/03/70/79/559037079.db2.gz YLGQQFPJSOXTNR-NRFANRHFSA-N 1 0 410.562 3.018 50 0 HGAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000082097354 559037606 /nfs/dbraw/zinc/03/76/06/559037606.db2.gz MXIBXDQPBGXUDF-FQEVSTJZSA-N 1 0 410.537 3.214 50 0 HGAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000082107378 559038453 /nfs/dbraw/zinc/03/84/53/559038453.db2.gz BQKIZIWWPUWSOU-FQEVSTJZSA-N 1 0 410.537 3.214 50 0 HGAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(c3ncccc3Cl)CC2)C1 ZINC000082120723 559039338 /nfs/dbraw/zinc/03/93/38/559039338.db2.gz SLOKDVHTWBVQOC-KRWDZBQOSA-N 1 0 413.953 3.127 50 0 HGAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3F)CC2)C1 ZINC000082121523 559039493 /nfs/dbraw/zinc/03/94/93/559039493.db2.gz BBUGBQSVGGNUFV-FQEVSTJZSA-N 1 0 410.537 3.214 50 0 HGAARO O=C(NCCc1ccco1)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082138853 559040671 /nfs/dbraw/zinc/04/06/71/559040671.db2.gz MYKVZVAKUWSHTC-QFIPXVFZSA-N 1 0 409.574 3.357 50 0 HGAARO O=C1C[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc2c(c1)CCC2 ZINC000098086531 559065213 /nfs/dbraw/zinc/06/52/13/559065213.db2.gz KPBPIEZHOVINQQ-QHCPKHFHSA-N 1 0 403.526 3.061 50 0 HGAARO COC(=O)N1CCCC[C@@H]1C(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000095507881 559083258 /nfs/dbraw/zinc/08/32/58/559083258.db2.gz BDRIUILKGJPETR-OAQYLSRUSA-N 1 0 401.551 3.020 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CC[C@@H](OC)C2)c1 ZINC000095511445 559083973 /nfs/dbraw/zinc/08/39/73/559083973.db2.gz QMEHYNRUIKCEOX-HXUWFJFHSA-N 1 0 402.535 3.342 50 0 HGAARO O=C(c1cc[nH]n1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095519459 559084845 /nfs/dbraw/zinc/08/48/45/559084845.db2.gz ZOQNVKDNYBFIPM-LJQANCHMSA-N 1 0 400.498 3.082 50 0 HGAARO COc1ccc(CN2CCc3sccc3C2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095523551 559085605 /nfs/dbraw/zinc/08/56/05/559085605.db2.gz NOSDYEUDXRAJED-IBGZPJMESA-N 1 0 402.560 3.151 50 0 HGAARO CCc1ncc(CN(CCOC)C[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000095530116 559086750 /nfs/dbraw/zinc/08/67/50/559086750.db2.gz PGRJYRMWPHMSDM-HXUWFJFHSA-N 1 0 408.590 3.367 50 0 HGAARO C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000011560607 559101237 /nfs/dbraw/zinc/10/12/37/559101237.db2.gz HPTBNWFQLZUXGU-UHFFFAOYSA-N 1 0 417.513 3.443 50 0 HGAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000011557584 559101989 /nfs/dbraw/zinc/10/19/89/559101989.db2.gz XNVKUYPQGNIXTA-UHFFFAOYSA-N 1 0 421.545 3.363 50 0 HGAARO COc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000011614406 559113687 /nfs/dbraw/zinc/11/36/87/559113687.db2.gz HAQQFEPKFLSCPR-HXUWFJFHSA-N 1 0 410.445 3.438 50 0 HGAARO C[C@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000072297868 559119431 /nfs/dbraw/zinc/11/94/31/559119431.db2.gz ZVSYDZKYKYZOBF-LFPIHBKWSA-N 1 0 417.413 3.429 50 0 HGAARO COc1ccc(NC(=O)c2ccc(CN3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000023761753 559180989 /nfs/dbraw/zinc/18/09/89/559180989.db2.gz GSINNJPYHCFING-QHCPKHFHSA-N 1 0 409.530 3.244 50 0 HGAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[N@@H+]1CCC[C@@H](C)C1 ZINC000005055130 559237560 /nfs/dbraw/zinc/23/75/60/559237560.db2.gz JRQSZHXFPGPARL-CQSZACIVSA-N 1 0 417.506 3.422 50 0 HGAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NCC(OC)OC)C3)c(C)o2)cc1 ZINC000005055996 559237671 /nfs/dbraw/zinc/23/76/71/559237671.db2.gz PYOZYTFYSXGOHJ-LJQANCHMSA-N 1 0 415.534 3.160 50 0 HGAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000409414045 559249799 /nfs/dbraw/zinc/24/97/99/559249799.db2.gz MXKDTEPHUHMETM-YLJYHZDGSA-N 1 0 424.545 3.322 50 0 HGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccsc2)n[nH]1 ZINC000409413122 559250384 /nfs/dbraw/zinc/25/03/84/559250384.db2.gz DBXANTGRDZMASA-JXFKEZNVSA-N 1 0 402.564 3.491 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccn2-c2cccnc2)CC1 ZINC000011821047 559260556 /nfs/dbraw/zinc/26/05/56/559260556.db2.gz DBVRIODBEAILPM-QFIPXVFZSA-N 1 0 423.605 3.465 50 0 HGAARO CCc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccccc1)CC[N@@H+](CC)C2 ZINC000062007126 560566291 /nfs/dbraw/zinc/56/62/91/560566291.db2.gz VJBJYPXEHQYZJZ-UHFFFAOYSA-N 1 0 416.525 3.489 50 0 HGAARO COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCC[NH+](C)C)c(=N)c32)cc1 ZINC000005348763 560571114 /nfs/dbraw/zinc/57/11/14/560571114.db2.gz HYIFZCLUNNDGSY-FQEVSTJZSA-N 1 0 406.486 3.314 50 0 HGAARO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000062258894 560588875 /nfs/dbraw/zinc/58/88/75/560588875.db2.gz GSXNHWRIOCFHAI-OAHLLOKOSA-N 1 0 402.438 3.479 50 0 HGAARO COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c1C2 ZINC000409415209 560723527 /nfs/dbraw/zinc/72/35/27/560723527.db2.gz WYONCSJRVNDSTA-KXBFYZLASA-N 1 0 424.545 3.335 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[nH]c2n1 ZINC000101795867 560801349 /nfs/dbraw/zinc/80/13/49/560801349.db2.gz DZJNVTZDDAFDKE-QGZVFWFLSA-N 1 0 400.914 3.448 50 0 HGAARO CC(=O)NCCc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000048303884 568436243 /nfs/dbraw/zinc/43/62/43/568436243.db2.gz XNBLSGIVHBWNPB-JOCHJYFZSA-N 1 0 421.541 3.083 50 0 HGAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)Nc1cccnc1N1CCCC1 ZINC000048299687 568437215 /nfs/dbraw/zinc/43/72/15/568437215.db2.gz UGYMEHRJWSUAPD-UHFFFAOYSA-N 1 0 422.577 3.011 50 0 HGAARO COc1cccc([C@@H](CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)[NH+](C)C)c1 ZINC000048325244 568438556 /nfs/dbraw/zinc/43/85/56/568438556.db2.gz QYLHHCHSKTVUFS-LJQANCHMSA-N 1 0 418.921 3.472 50 0 HGAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 ZINC000048332088 568440047 /nfs/dbraw/zinc/44/00/47/568440047.db2.gz HSMPASCZKJJMEE-QFIPXVFZSA-N 1 0 413.949 3.097 50 0 HGAARO Cc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1 ZINC000049626712 568452758 /nfs/dbraw/zinc/45/27/58/568452758.db2.gz VPMFYHWUKMLBMB-FYHVMQNLSA-N 1 0 424.585 3.402 50 0 biogenic HGAARO O=C1C[C@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000049772130 568453395 /nfs/dbraw/zinc/45/33/95/568453395.db2.gz YACGSFQFKLDZPH-GBAJDQEWSA-N 1 0 420.900 3.302 50 0 HGAARO COc1ccc2c(C)c(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc2c1 ZINC000012297064 568463002 /nfs/dbraw/zinc/46/30/02/568463002.db2.gz DIBZKXKHRBMLOY-LAUBAEHRSA-N 1 0 412.530 3.423 50 0 biogenic HGAARO COC(=O)c1cn(-c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2)nn1 ZINC000031779772 568505325 /nfs/dbraw/zinc/50/53/25/568505325.db2.gz OHVRKPQBSLVYMX-UHFFFAOYSA-N 1 0 419.485 3.292 50 0 HGAARO O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)NCC[NH+]1CCCCCC1 ZINC000033031760 568510501 /nfs/dbraw/zinc/51/05/01/568510501.db2.gz PEVYOUDVJOJJSM-UHFFFAOYSA-N 1 0 412.509 3.166 50 0 HGAARO C=CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000261489597 568512980 /nfs/dbraw/zinc/51/29/80/568512980.db2.gz YPZMULKUINXMRG-URXFXBBRSA-N 1 0 421.541 3.310 50 0 HGAARO Cc1ccc2nc(Cl)c3cc(C(=O)NCCN4CC[NH+](C)CC4)sc3c2c1 ZINC000020321601 568598714 /nfs/dbraw/zinc/59/87/14/568598714.db2.gz NEDCDGRPZGPCFY-UHFFFAOYSA-N 1 0 402.951 3.389 50 0 HGAARO C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)CC1 ZINC000020355091 568599589 /nfs/dbraw/zinc/59/95/89/568599589.db2.gz PGZXJQIYYBDFMR-UHFFFAOYSA-N 1 0 424.614 3.166 50 0 HGAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000095428337 568608259 /nfs/dbraw/zinc/60/82/59/568608259.db2.gz XGOSXZDPRLMINA-CQSZACIVSA-N 1 0 409.889 3.409 50 0 HGAARO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000225460054 568639891 /nfs/dbraw/zinc/63/98/91/568639891.db2.gz MCCRXIXJLQKVMB-IEBWSBKVSA-N 1 0 416.566 3.336 50 0 HGAARO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000225500122 568643740 /nfs/dbraw/zinc/64/37/40/568643740.db2.gz IMRPHRBFTKBQKT-IEBWSBKVSA-N 1 0 419.953 3.086 50 0 HGAARO C[N@H+](CCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1)C1CCCCC1 ZINC000020865571 568646523 /nfs/dbraw/zinc/64/65/23/568646523.db2.gz ZQXHGXAHZVEQBY-UHFFFAOYSA-N 1 0 402.564 3.127 50 0 HGAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000021538776 568713223 /nfs/dbraw/zinc/71/32/23/568713223.db2.gz PYJQPPUYRSYVQD-UHFFFAOYSA-N 1 0 401.580 3.270 50 0 HGAARO CC(C)[C@@H]([NH2+]CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000021584305 568720084 /nfs/dbraw/zinc/72/00/84/568720084.db2.gz VYPVGPUBAVECHM-IFMALSPDSA-N 1 0 406.592 3.324 50 0 HGAARO C[NH+]1CCN(CCCNC(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)CC1 ZINC000096323678 568732619 /nfs/dbraw/zinc/73/26/19/568732619.db2.gz RKWCCHPNOIMCCH-UHFFFAOYSA-N 1 0 411.481 3.078 50 0 HGAARO CC(C)C[NH+]1CCN(C(=O)c2ccc3c(c2)CC(=O)N3Cc2ccc(F)cc2)CC1 ZINC000096386261 568742651 /nfs/dbraw/zinc/74/26/51/568742651.db2.gz NTOAOSUFPTWAJG-UHFFFAOYSA-N 1 0 409.505 3.329 50 0 HGAARO Cn1ncc2c1nc(N1CC[NH+](C3CCCCC3)CC1)nc2NCc1ccccc1 ZINC000021929099 568761518 /nfs/dbraw/zinc/76/15/18/568761518.db2.gz GIYQLNWECYFIBG-UHFFFAOYSA-N 1 0 405.550 3.430 50 0 HGAARO Cc1ccc(-c2ccc(=O)n(CCC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000002941007 568819228 /nfs/dbraw/zinc/81/92/28/568819228.db2.gz OICDNJWGIQWFAU-PMACEKPBSA-N 1 0 410.562 3.093 50 0 HGAARO Cc1nccc2[nH]c(=O)c(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000003061786 568852876 /nfs/dbraw/zinc/85/28/76/568852876.db2.gz OTPAHBVIMKUZNM-UHFFFAOYSA-N 1 0 418.541 3.306 50 0 HGAARO Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000012552190 568853638 /nfs/dbraw/zinc/85/36/38/568853638.db2.gz IFIWICDSUFFTDH-FQEVSTJZSA-N 1 0 421.570 3.323 50 0 HGAARO CNC(=O)c1cc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)cs1 ZINC000670433852 568866200 /nfs/dbraw/zinc/86/62/00/568866200.db2.gz NJLYBUIEYKQDJS-GOSISDBHSA-N 1 0 421.588 3.003 50 0 HGAARO O=C(CCOc1ccccc1)NC[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000299757754 568872939 /nfs/dbraw/zinc/87/29/39/568872939.db2.gz JIAPMZBVDNYXBT-QFIPXVFZSA-N 1 0 409.530 3.181 50 0 HGAARO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000299798426 568876528 /nfs/dbraw/zinc/87/65/28/568876528.db2.gz UEOMTZHYUVKQGN-MRXNPFEDSA-N 1 0 420.517 3.214 50 0 HGAARO COc1cc(CNC[C@H](C[NH+](C)C)[C@H](O)c2ccccc2)cc(OC)c1OC(F)F ZINC000058050987 568881039 /nfs/dbraw/zinc/88/10/39/568881039.db2.gz NFTJQPXUGMNBKM-YLJYHZDGSA-N 1 0 424.488 3.306 50 0 HGAARO C[NH+](C)CCSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)o1 ZINC000003437078 568902807 /nfs/dbraw/zinc/90/28/07/568902807.db2.gz YAINPCASDOFTJC-UHFFFAOYSA-N 1 0 407.499 3.149 50 0 HGAARO Cc1cccc(OC[C@H](O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=N)c1 ZINC000001238861 568906969 /nfs/dbraw/zinc/90/69/69/568906969.db2.gz DDXGBMILSYHELN-HXUWFJFHSA-N 1 0 408.546 3.156 50 0 HGAARO COc1cccc([C@@H](CNC(=O)NCc2ccc(NC(=O)C(C)C)cc2)[NH+](C)C)c1 ZINC000030988976 568907679 /nfs/dbraw/zinc/90/76/79/568907679.db2.gz QEDZSGCYIBSNFD-OAQYLSRUSA-N 1 0 412.534 3.392 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)CCCNC(=O)c1ccsc1)c1cccc(OC)c1 ZINC000012728433 568920941 /nfs/dbraw/zinc/92/09/41/568920941.db2.gz WFXPTHDJAWTIEZ-FQEVSTJZSA-N 1 0 417.575 3.466 50 0 HGAARO COCCNc1nc(NCc2ccc(OC)cc2)nc(NCc2ccc(OC)cc2)[nH+]1 ZINC000083911695 568924697 /nfs/dbraw/zinc/92/46/97/568924697.db2.gz JXYDEDSUWCOODU-UHFFFAOYSA-N 1 0 424.505 3.171 50 0 HGAARO CCc1ccc([C@@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)[NH+](C)C)cc1 ZINC000012745546 568931141 /nfs/dbraw/zinc/93/11/41/568931141.db2.gz PILMHKQQMRAWJD-DNQXCXABSA-N 1 0 420.557 3.197 50 0 HGAARO CCN(CC(=O)NC[C@H](c1ccco1)[NH+](CC)CC)Cc1ccc2c(c1)OCCO2 ZINC000053094172 568935009 /nfs/dbraw/zinc/93/50/09/568935009.db2.gz HPDHDWUQSUBRQT-LJQANCHMSA-N 1 0 415.534 3.072 50 0 HGAARO CC(C)c1[nH+]c(CNCCNS(=O)(=O)c2cccc(Cl)c2)c2ccccn21 ZINC000084630930 568953702 /nfs/dbraw/zinc/95/37/02/568953702.db2.gz OYMVVSZRLZDXEU-UHFFFAOYSA-N 1 0 406.939 3.179 50 0 HGAARO CCC(=O)Nc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccccc2)cc1 ZINC000084718698 568957093 /nfs/dbraw/zinc/95/70/93/568957093.db2.gz DJADLPIRZRTBFS-UHFFFAOYSA-N 1 0 415.559 3.322 50 0 HGAARO Cc1cc2cc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)ccc2o1 ZINC000670466922 568972950 /nfs/dbraw/zinc/97/29/50/568972950.db2.gz BSZDWPFGKHEEID-KOXWRSSLSA-N 1 0 401.510 3.039 50 0 HGAARO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008156371 568978087 /nfs/dbraw/zinc/97/80/87/568978087.db2.gz ZQZFAMGYCSJFQO-XLIONFOSSA-N 1 0 405.564 3.064 50 0 HGAARO C[C@H]1CSc2ccc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)cc2NC1=O ZINC000015730760 568981315 /nfs/dbraw/zinc/98/13/15/568981315.db2.gz UKKZXFQQCAWCMX-HNNXBMFYSA-N 1 0 423.604 3.006 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)[NH+]2CCCC2)cc1 ZINC000008193168 568981801 /nfs/dbraw/zinc/98/18/01/568981801.db2.gz WMCRFTYKQKPIRV-QFIPXVFZSA-N 1 0 407.514 3.389 50 0 HGAARO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCC(=O)N[C@H](c1cccnc1)C(F)(F)F)C2 ZINC000011790203 568986683 /nfs/dbraw/zinc/98/66/83/568986683.db2.gz SWSFBZLAUUIQPF-JLTOFOAXSA-N 1 0 423.435 3.483 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000053303613 569016439 /nfs/dbraw/zinc/01/64/39/569016439.db2.gz OBAXFBAGZNPTAE-KDURUIRLSA-N 1 0 412.578 3.276 50 0 HGAARO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000063801540 569016844 /nfs/dbraw/zinc/01/68/44/569016844.db2.gz YLKGNFKZMSYUBB-INIZCTEOSA-N 1 0 401.617 3.213 50 0 HGAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000012910644 569021540 /nfs/dbraw/zinc/02/15/40/569021540.db2.gz JSCAQWWFZMRCPY-YADHBBJMSA-N 1 0 407.514 3.371 50 0 HGAARO CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)c1C ZINC000012932463 569025084 /nfs/dbraw/zinc/02/50/84/569025084.db2.gz VPHBIILAPDLPII-LJQANCHMSA-N 1 0 413.518 3.384 50 0 HGAARO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[NH2+]1)[C@H]2O5 ZINC000006031944 569027272 /nfs/dbraw/zinc/02/72/72/569027272.db2.gz YOYLLRBMGQRFTN-IOMBULRVSA-N 1 0 413.558 3.291 50 0 world HGAARO O=C(NCC[NH+]1CCCCC1)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000035455083 569037917 /nfs/dbraw/zinc/03/79/17/569037917.db2.gz YNSFENVVDJNGGD-IBGZPJMESA-N 1 0 411.525 3.101 50 0 HGAARO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000239807482 569054562 /nfs/dbraw/zinc/05/45/62/569054562.db2.gz CSHCHLRAVWKDSV-RXVVDRJESA-N 1 0 402.583 3.124 50 0 HGAARO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000242242319 569055018 /nfs/dbraw/zinc/05/50/18/569055018.db2.gz XTVBQGINVZTBSJ-CABCVRRESA-N 1 0 419.875 3.218 50 0 HGAARO O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCCN12)c1ccc(F)cc1 ZINC000245246108 569055371 /nfs/dbraw/zinc/05/53/71/569055371.db2.gz IPYORVPWOXDUSZ-OKYOBFRVSA-N 1 0 412.848 3.314 50 0 HGAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000006551948 569065226 /nfs/dbraw/zinc/06/52/26/569065226.db2.gz VZRZWBFGPKVRJF-RTBURBONSA-N 1 0 419.591 3.312 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)NCCC[NH+]3CCCC3)csc2C1 ZINC000426624718 569073543 /nfs/dbraw/zinc/07/35/43/569073543.db2.gz DBHRLCPRPTVYDZ-UHFFFAOYSA-N 1 0 402.564 3.127 50 0 HGAARO CC[C@@H](C(=O)NCCC[NH+]1CCCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787503 569094224 /nfs/dbraw/zinc/09/42/24/569094224.db2.gz HXNNQRNHMRHNDX-FQEVSTJZSA-N 1 0 423.561 3.222 50 0 HGAARO Cc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064799732 569097339 /nfs/dbraw/zinc/09/73/39/569097339.db2.gz ZPFYTTVBBBWNAT-UHFFFAOYSA-N 1 0 419.451 3.366 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000006782448 569120497 /nfs/dbraw/zinc/12/04/97/569120497.db2.gz KARZYOSASJAKIN-GOSISDBHSA-N 1 0 412.509 3.164 50 0 HGAARO CCc1nc(C)nc(N2CC[NH+](C[C@H](O)C(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000036340777 569141474 /nfs/dbraw/zinc/14/14/74/569141474.db2.gz PMMFDHIAXCCKMC-QFIPXVFZSA-N 1 0 400.542 3.216 50 0 HGAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccc(F)cc2)CC1 ZINC000036340344 569141623 /nfs/dbraw/zinc/14/16/23/569141623.db2.gz STKIUEWCOFOQNJ-NRFANRHFSA-N 1 0 400.542 3.496 50 0 HGAARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccc(F)cc2)CC1 ZINC000036340345 569141657 /nfs/dbraw/zinc/14/16/57/569141657.db2.gz STKIUEWCOFOQNJ-OAQYLSRUSA-N 1 0 400.542 3.496 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC000036341293 569141786 /nfs/dbraw/zinc/14/17/86/569141786.db2.gz YXSGMZINLQVOPX-QHCPKHFHSA-N 1 0 424.520 3.150 50 0 HGAARO CCOc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000036344063 569142519 /nfs/dbraw/zinc/14/25/19/569142519.db2.gz VEOIGYQIADEOJJ-XMMPIXPASA-N 1 0 420.557 3.401 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000036390796 569166008 /nfs/dbraw/zinc/16/60/08/569166008.db2.gz ZEBMNDAKVHSODC-INIZCTEOSA-N 1 0 421.463 3.415 50 0 HGAARO CCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(C)c2)cc1 ZINC000036397155 569170131 /nfs/dbraw/zinc/17/01/31/569170131.db2.gz XQTTURMVYOLLCY-UHFFFAOYSA-N 1 0 403.548 3.336 50 0 HGAARO CCOCC(=O)Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000007001701 569198822 /nfs/dbraw/zinc/19/88/22/569198822.db2.gz GHTJRAAWYLYFDH-UHFFFAOYSA-N 1 0 413.518 3.498 50 0 HGAARO O=C(Nc1ccc2c(c1)OCCO2)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065255885 569208064 /nfs/dbraw/zinc/20/80/64/569208064.db2.gz OTKNUSGXGANJGJ-FQEVSTJZSA-N 1 0 416.481 3.256 50 0 HGAARO COc1cccc(CNC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)c1 ZINC000065255976 569208093 /nfs/dbraw/zinc/20/80/93/569208093.db2.gz HHQDWRDLQRFJBU-JOCHJYFZSA-N 1 0 402.498 3.171 50 0 HGAARO O=C(NCCC[NH+]1CCCC1)[C@@H]1CN(C(=O)c2cccs2)CC12CCCCC2 ZINC000065266298 569213070 /nfs/dbraw/zinc/21/30/70/569213070.db2.gz VEIZUICXXIVMAQ-SFHVURJKSA-N 1 0 403.592 3.373 50 0 biogenic HGAARO COc1ccc(-c2nccn3cc(C(=O)N4CC[NH+](C5CCCCC5)CC4)nc23)cc1 ZINC000065274439 569215116 /nfs/dbraw/zinc/21/51/16/569215116.db2.gz FODZQLXXMSRSFL-UHFFFAOYSA-N 1 0 419.529 3.495 50 0 HGAARO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000065538578 569234614 /nfs/dbraw/zinc/23/46/14/569234614.db2.gz VGTBERZBTPZUQR-MAUKXSAKSA-N 1 0 411.388 3.161 50 0 HGAARO COC(CCCC(C)(C)CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)OC ZINC000170619841 569248184 /nfs/dbraw/zinc/24/81/84/569248184.db2.gz FFXCQLWWNCKPBB-UHFFFAOYSA-N 1 0 406.571 3.375 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)cc2)CC1 ZINC000014347788 569259620 /nfs/dbraw/zinc/25/96/20/569259620.db2.gz FYEQHDBUBJAHOZ-IBGZPJMESA-N 1 0 406.530 3.358 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C[C@H](O)C[NH2+]Cc2ccco2)c2ccc(F)cc2)cc1 ZINC000016839646 569264339 /nfs/dbraw/zinc/26/43/39/569264339.db2.gz CTHWBGLHCAIOBR-LJQANCHMSA-N 1 0 418.490 3.073 50 0 HGAARO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)NCC1(c2ccccc2)CCC1 ZINC000089920319 569268836 /nfs/dbraw/zinc/26/88/36/569268836.db2.gz DRKLJUVPZCDKQZ-MOPGFXCFSA-N 1 0 415.578 3.460 50 0 HGAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000002118416 569284857 /nfs/dbraw/zinc/28/48/57/569284857.db2.gz SLICQNPSYDKJJL-OAQYLSRUSA-N 1 0 409.486 3.160 50 0 biogenic HGAARO C=CC(=O)NCc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000195641740 569285032 /nfs/dbraw/zinc/28/50/32/569285032.db2.gz DMMOZOSPCCFASB-NRFANRHFSA-N 1 0 419.525 3.207 50 0 HGAARO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](CC4CCOCC4)CC3)CC2)nc1 ZINC000252492184 569290435 /nfs/dbraw/zinc/29/04/35/569290435.db2.gz MFIJKGMQJKYYAA-UHFFFAOYSA-N 1 0 412.500 3.113 50 0 HGAARO COc1cc(C(C)=O)ccc1OCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000170653307 569295408 /nfs/dbraw/zinc/29/54/08/569295408.db2.gz WJPHAQKMPWMYMB-UWJYYQICSA-N 1 0 410.514 3.303 50 0 HGAARO C[NH+](C)C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccccc1 ZINC000007817189 569312822 /nfs/dbraw/zinc/31/28/22/569312822.db2.gz ITSFHXQIETWVIC-QFIPXVFZSA-N 1 0 412.493 3.418 50 0 HGAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)CC4CCCC4)CC3)C2)CC1 ZINC000581820137 569321000 /nfs/dbraw/zinc/32/10/00/569321000.db2.gz UJVOSMAQRURRKD-JOCHJYFZSA-N 1 0 405.627 3.381 50 0 HGAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[NH+]1CCCCC1 ZINC000002255987 569326316 /nfs/dbraw/zinc/32/63/16/569326316.db2.gz RVGUXHLOITURFQ-UHFFFAOYSA-N 1 0 403.479 3.176 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnc(O[C@H]2CCOC2)c(Cl)c1 ZINC000253408611 569366212 /nfs/dbraw/zinc/36/62/12/569366212.db2.gz YJLJKYDPMBVRMN-IBGZPJMESA-N 1 0 415.921 3.297 50 0 HGAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000002296097 569369578 /nfs/dbraw/zinc/36/95/78/569369578.db2.gz MIJMCROWXZIUCA-NSHDSACASA-N 1 0 408.296 3.387 50 0 HGAARO CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000027676192 569389736 /nfs/dbraw/zinc/38/97/36/569389736.db2.gz ZCDKMYSGXMHQPD-YJBOKZPZSA-N 1 0 409.502 3.200 50 0 HGAARO O=C(CNC(=O)c1ccccc1F)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000012992576 569406185 /nfs/dbraw/zinc/40/61/85/569406185.db2.gz MCEDGXQMDGATQS-UHFFFAOYSA-N 1 0 405.473 3.053 50 0 HGAARO CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1(C)C ZINC000078714439 569419853 /nfs/dbraw/zinc/41/98/53/569419853.db2.gz WJNORECRZSHEOY-NHCUHLMSSA-N 1 0 403.611 3.456 50 0 HGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1ccccc1Cl ZINC000019838403 569431043 /nfs/dbraw/zinc/43/10/43/569431043.db2.gz LPANSYSRPNJLED-YWZLYKJASA-N 1 0 407.892 3.487 50 0 HGAARO CC1(C)CC(NC(=O)CCc2nc3cc(Br)cnc3[nH]2)CC(C)(C)[NH2+]1 ZINC000079486533 569432121 /nfs/dbraw/zinc/43/21/21/569432121.db2.gz WEFBMAWWHCNMGC-UHFFFAOYSA-N 1 0 408.344 3.078 50 0 HGAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000028724961 571037807 /nfs/dbraw/zinc/03/78/07/571037807.db2.gz GBTODMZNICNMTQ-IRXDYDNUSA-N 1 0 423.517 3.155 50 0 HGAARO Nc1cc(N)[nH+]c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)n1 ZINC000008746942 571111088 /nfs/dbraw/zinc/11/10/88/571111088.db2.gz DLBXMRWCZFVLJM-NSHDSACASA-N 1 0 416.557 3.234 50 0 HGAARO COc1cc2c(cc1OC)CN(C(=O)C[NH+]1CCC(OCc3ccccc3)CC1)CC2 ZINC000040018034 571139063 /nfs/dbraw/zinc/13/90/63/571139063.db2.gz BLOATNUJZRSUST-UHFFFAOYSA-N 1 0 424.541 3.270 50 0 HGAARO C[N@H+](CCC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1N1CCOCC1 ZINC000040025019 571140204 /nfs/dbraw/zinc/14/02/04/571140204.db2.gz MQDCMJYEYYXOQD-UHFFFAOYSA-N 1 0 411.550 3.295 50 0 HGAARO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(c2ccccc2O)CC1 ZINC000040104532 571165375 /nfs/dbraw/zinc/16/53/75/571165375.db2.gz VJPLGAMYXAOSQJ-UHFFFAOYSA-N 1 0 412.534 3.467 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000040118842 571175092 /nfs/dbraw/zinc/17/50/92/571175092.db2.gz UWQBFPCCFVXFSN-IYBDPMFKSA-N 1 0 424.383 3.053 50 0 HGAARO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000040146747 571196702 /nfs/dbraw/zinc/19/67/02/571196702.db2.gz SLNKXYIYIKMHSW-HZPDHXFCSA-N 1 0 402.539 3.091 50 0 HGAARO O=C1CCCC[C@@H]1[NH+]1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000244975229 571211301 /nfs/dbraw/zinc/21/13/01/571211301.db2.gz IHILJPQZXYOGHP-SFHVURJKSA-N 1 0 410.484 3.199 50 0 HGAARO FC(F)(F)c1ccc(N2CCN(C3CC[NH+]([C@H]4CCSC4)CC3)CC2)nc1 ZINC000244998799 571211871 /nfs/dbraw/zinc/21/18/71/571211871.db2.gz KTYCUWORLHQRTK-KRWDZBQOSA-N 1 0 400.514 3.192 50 0 HGAARO CCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2cccc(F)c2)C3)c1C ZINC000069926206 571249945 /nfs/dbraw/zinc/24/99/45/571249945.db2.gz PPRHMSIVANAOHC-UHFFFAOYSA-N 1 0 407.493 3.413 50 0 HGAARO Cc1ccccc1CC(=O)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000077200565 571313030 /nfs/dbraw/zinc/31/30/30/571313030.db2.gz QLZYWWFMPWQSOV-UHFFFAOYSA-N 1 0 401.514 3.288 50 0 HGAARO O=c1c2c(nc(N3CC[NH2+]CC3)n1CCc1ccccc1)sc1c2CCCCC1 ZINC000002236331 132250152 /nfs/dbraw/zinc/25/01/52/132250152.db2.gz LXRUGDPRECMWMJ-UHFFFAOYSA-N 1 0 408.571 3.379 50 0 HGAARO CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[N@H+]2CCCC[C@H]2CC)C1=O ZINC000004102053 132271162 /nfs/dbraw/zinc/27/11/62/132271162.db2.gz SDAAHTTYDIXUBO-UYAOXDASSA-N 1 0 401.551 3.270 50 0 HGAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000005689707 132307560 /nfs/dbraw/zinc/30/75/60/132307560.db2.gz WZUYWTCRCZFXRN-HNNXBMFYSA-N 1 0 410.543 3.432 50 0 HGAARO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCN(c2ccccn2)CC1 ZINC000006978647 132321776 /nfs/dbraw/zinc/32/17/76/132321776.db2.gz GRBFUSNKYBETTO-UHFFFAOYSA-N 1 0 421.570 3.220 50 0 HGAARO C[C@@H](Cc1cncs1)[NH2+]C1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1 ZINC000012151790 132355260 /nfs/dbraw/zinc/35/52/60/132355260.db2.gz GNNSUOBYZGARFC-INIZCTEOSA-N 1 0 422.558 3.375 50 0 HGAARO O=C(Cc1ccc(N2CCC([NH2+]C[C@H]3CCCO3)CC2)cc1)NCc1ccccc1 ZINC000012242766 132357729 /nfs/dbraw/zinc/35/77/29/132357729.db2.gz LXDGTDZVKCJGGR-XMMPIXPASA-N 1 0 407.558 3.283 50 0 HGAARO CN(C(=O)c1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000012315198 132358329 /nfs/dbraw/zinc/35/83/29/132358329.db2.gz MBWFXURBBNPPHU-QHCPKHFHSA-N 1 0 424.564 3.314 50 0 HGAARO COc1cc(F)ccc1C[NH2+][C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 ZINC000012716550 132366207 /nfs/dbraw/zinc/36/62/07/132366207.db2.gz AENZOGJEVLPHLA-IBGZPJMESA-N 1 0 400.498 3.000 50 0 HGAARO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012747009 132366503 /nfs/dbraw/zinc/36/65/03/132366503.db2.gz YIZHHEMHOQAJDG-AWEZNQCLSA-N 1 0 419.323 3.002 50 0 HGAARO CC1CC[NH+](CCNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000021538885 132472594 /nfs/dbraw/zinc/47/25/94/132472594.db2.gz ZXRRQLDCTBKKTJ-UHFFFAOYSA-N 1 0 413.591 3.270 50 0 HGAARO CCCSCCCNC(=O)c1sc2ncnc(N3CC[NH+](CC)CC3)c2c1C ZINC000033048455 132501740 /nfs/dbraw/zinc/50/17/40/132501740.db2.gz VHIUJSSTWPHQET-UHFFFAOYSA-N 1 0 421.636 3.405 50 0 HGAARO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000044246535 520649560 /nfs/dbraw/zinc/64/95/60/520649560.db2.gz GZXSCOADIZTRHX-UHFFFAOYSA-N 1 0 413.551 3.408 50 0 HGAARO CC[NH+](CC)CCNC(=O)[C@H](C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000032945002 520681590 /nfs/dbraw/zinc/68/15/90/520681590.db2.gz DOOKTDCEQCBBFL-AWEZNQCLSA-N 1 0 412.456 3.051 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029482828 520799963 /nfs/dbraw/zinc/79/99/63/520799963.db2.gz HHUMPMTVYBLUSV-NRFANRHFSA-N 1 0 415.559 3.275 50 0 HGAARO CC1CC[NH+](Cc2ccc(CNC(=O)c3cccc(S(C)(=O)=O)c3)cc2)CC1 ZINC000032769510 521024386 /nfs/dbraw/zinc/02/43/86/521024386.db2.gz DVDKQNMACAAYCM-UHFFFAOYSA-N 1 0 400.544 3.252 50 0 HGAARO CCC[NH+](CCC)CCCNC(=O)CCCn1c2ccccc2c2cn[nH]c(=O)c21 ZINC000020416575 521644870 /nfs/dbraw/zinc/64/48/70/521644870.db2.gz CSSXYUSNUDZTNF-UHFFFAOYSA-N 1 0 411.550 3.286 50 0 HGAARO CC[NH+]1CCN(CC(=O)Nc2c(Br)cc(C)cc2Br)CC1 ZINC000022877360 521676798 /nfs/dbraw/zinc/67/67/98/521676798.db2.gz BJKJFHGWDACKIE-UHFFFAOYSA-N 1 0 419.161 3.096 50 0 HGAARO COc1ccc(-c2c(C)oc3cc(OCCN4CC[NH+](C)CC4)ccc3c2=O)cc1 ZINC000020590393 523078347 /nfs/dbraw/zinc/07/83/47/523078347.db2.gz FFJNLLDPANECNV-UHFFFAOYSA-N 1 0 408.498 3.403 50 0 biogenic HGAARO COc1ccc(-c2nc(C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)cs2)cc1OC ZINC000032903361 523190623 /nfs/dbraw/zinc/19/06/23/523190623.db2.gz MYJROGVPDJNEID-GJZGRUSLSA-N 1 0 419.547 3.056 50 0 HGAARO C[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000041629162 523910842 /nfs/dbraw/zinc/91/08/42/523910842.db2.gz MWZZFPQJIIAHMK-UHFFFAOYSA-N 1 0 409.555 3.066 50 0 HGAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1C(C)C ZINC000032533055 523914445 /nfs/dbraw/zinc/91/44/45/523914445.db2.gz XVUYPLQPZGAEPH-OFNKIYASSA-N 1 0 411.546 3.182 50 0 HGAARO COc1cccc([C@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c2nccn2C)c1 ZINC000045304480 524163235 /nfs/dbraw/zinc/16/32/35/524163235.db2.gz KUVNYZCDZPGCQN-RXVVDRJESA-N 1 0 413.566 3.329 50 0 HGAARO Cc1cc(C)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(Cl)c2)c1 ZINC000045966947 524361731 /nfs/dbraw/zinc/36/17/31/524361731.db2.gz PVGVPBWVQZWELT-UHFFFAOYSA-N 1 0 413.949 3.421 50 0 HGAARO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000032740374 524516854 /nfs/dbraw/zinc/51/68/54/524516854.db2.gz LGGVVJFQBVNWIW-APWZRJJASA-N 1 0 403.548 3.137 50 0 HGAARO Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)C(C)C ZINC000032843489 525061418 /nfs/dbraw/zinc/06/14/18/525061418.db2.gz UMGIFXHTHZSGIP-QHCPKHFHSA-N 1 0 422.573 3.448 50 0 HGAARO Cc1nc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)nn1-c1ccc(Cl)cc1 ZINC000032729819 526649814 /nfs/dbraw/zinc/64/98/14/526649814.db2.gz BLZXOUWZDNKXOQ-SFHVURJKSA-N 1 0 401.873 3.401 50 0 HGAARO O=C(CCn1ncc(=O)c2ccccc21)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000032820778 526690513 /nfs/dbraw/zinc/69/05/13/526690513.db2.gz PVFLYXIAABWCBX-UHFFFAOYSA-N 1 0 404.514 3.089 50 0 HGAARO Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000032752715 526793098 /nfs/dbraw/zinc/79/30/98/526793098.db2.gz GOXGCNUSNSVZBN-UHFFFAOYSA-N 1 0 416.481 3.483 50 0 HGAARO COc1ccc([C@@]2(O)CN3CCSCC3=[N+]2c2ccc(Br)cc2)cc1 ZINC000000639538 557031455 /nfs/dbraw/zinc/03/14/55/557031455.db2.gz VOHDODBVFDFGKR-IBGZPJMESA-N 1 0 420.352 3.281 50 0 HGAARO CCN1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccc(C)c(C)c4)CC3)cc2)CC1 ZINC000034668096 557361359 /nfs/dbraw/zinc/36/13/59/557361359.db2.gz XKSKZQNSCXWRPW-UHFFFAOYSA-N 1 0 420.601 3.403 50 0 HGAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)C1CC1 ZINC000034814848 557465557 /nfs/dbraw/zinc/46/55/57/557465557.db2.gz YZUSVCVVULWZOJ-UHFFFAOYSA-N 1 0 409.578 3.471 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(Cc2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000034911205 557476300 /nfs/dbraw/zinc/47/63/00/557476300.db2.gz RMMQUTNJAVFGGR-NRFANRHFSA-N 1 0 403.530 3.381 50 0 HGAARO CC[NH+](CC)CCCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000004854981 557606990 /nfs/dbraw/zinc/60/69/90/557606990.db2.gz JEYKLNYQOGWJMS-UHFFFAOYSA-N 1 0 418.607 3.398 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2OC)N2CC[NH+](C)CC2)cc1 ZINC000022794384 557822008 /nfs/dbraw/zinc/82/20/08/557822008.db2.gz NTWROXFYBKQPBK-FQEVSTJZSA-N 1 0 417.937 3.076 50 0 HGAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1C ZINC000011782363 558274803 /nfs/dbraw/zinc/27/48/03/558274803.db2.gz HAWNWAXKDMCMMQ-UHFFFAOYSA-N 1 0 422.533 3.060 50 0 HGAARO Cc1nnc(SCC(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)s1 ZINC000011817106 558280368 /nfs/dbraw/zinc/28/03/68/558280368.db2.gz PLMPLYWZHZISJP-GOSISDBHSA-N 1 0 404.605 3.494 50 0 HGAARO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000011878646 558293114 /nfs/dbraw/zinc/29/31/14/558293114.db2.gz ZYMIMCMUMXGBNB-FQEVSTJZSA-N 1 0 402.560 3.331 50 0 HGAARO OCC[C@H]1C[N@@H+](C2CCN(c3ccccc3F)CC2)CCN1Cc1cccs1 ZINC000019840778 558293944 /nfs/dbraw/zinc/29/39/44/558293944.db2.gz OWXCSGTYRWWHSB-IBGZPJMESA-N 1 0 403.567 3.425 50 0 HGAARO O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000019850372 558295282 /nfs/dbraw/zinc/29/52/82/558295282.db2.gz UGDXUKKSQBSMCX-UHFFFAOYSA-N 1 0 404.470 3.452 50 0 HGAARO CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)c3csc(C(C)C)n3)CC2)CC1 ZINC000011951836 558303038 /nfs/dbraw/zinc/30/30/38/558303038.db2.gz KLPXUZWPQYRFQJ-UHFFFAOYSA-N 1 0 406.596 3.108 50 0 HGAARO C[C@@H](C[N@H+]1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1)c1ccccc1 ZINC000012040871 558312799 /nfs/dbraw/zinc/31/27/99/558312799.db2.gz KKMJOBBWROTAPV-SFHVURJKSA-N 1 0 421.520 3.052 50 0 HGAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C ZINC000012047576 558313278 /nfs/dbraw/zinc/31/32/78/558313278.db2.gz ORRFZVIKACVROJ-UHFFFAOYSA-N 1 0 410.497 3.191 50 0 HGAARO Cc1ccc(C(=O)N2CCC(Oc3cccc(C(=O)N(C)CC[NH+](C)C)c3)CC2)cc1 ZINC000012075790 558319627 /nfs/dbraw/zinc/31/96/27/558319627.db2.gz RZCVFDWWMMJUDI-UHFFFAOYSA-N 1 0 423.557 3.312 50 0 HGAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccn2-c2ncccn2)CC1)C1CCCC1 ZINC000012196402 558349531 /nfs/dbraw/zinc/34/95/31/558349531.db2.gz IDJCMOGOTSVSNR-UHFFFAOYSA-N 1 0 419.533 3.430 50 0 HGAARO O=C(CCC1CC[NH+](Cc2cnn(-c3cccc(F)c3)c2)CC1)NC[C@H]1CCCO1 ZINC000012197793 558350245 /nfs/dbraw/zinc/35/02/45/558350245.db2.gz GICNOWZQSKFUPU-JOCHJYFZSA-N 1 0 414.525 3.299 50 0 HGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)CSc1ncccn1 ZINC000012227708 558357352 /nfs/dbraw/zinc/35/73/52/558357352.db2.gz DRQOBFNQJPOYKV-SFHVURJKSA-N 1 0 402.539 3.121 50 0 HGAARO COc1cc2cc(C[NH2+]CCNC(C)=O)c(OCc3ccc(C)cc3)nc2cc1OC ZINC000012248074 558362081 /nfs/dbraw/zinc/36/20/81/558362081.db2.gz BQPSFJRBGALVAZ-UHFFFAOYSA-N 1 0 423.513 3.365 50 0 HGAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CC[NH+](CC)CC1 ZINC000020449551 558364589 /nfs/dbraw/zinc/36/45/89/558364589.db2.gz RFFREHKQOMQOMU-UHFFFAOYSA-N 1 0 401.532 3.168 50 0 HGAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1CC[NH+](CC)CC1 ZINC000020449576 558364799 /nfs/dbraw/zinc/36/47/99/558364799.db2.gz FGGOZFNBTCUQKA-UHFFFAOYSA-N 1 0 401.532 3.168 50 0 HGAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)c(C)c1C ZINC000020455596 558369238 /nfs/dbraw/zinc/36/92/38/558369238.db2.gz CUWGQUCIJGOYPV-HXUWFJFHSA-N 1 0 413.566 3.185 50 0 HGAARO Cc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)[nH]n1 ZINC000012302839 558372422 /nfs/dbraw/zinc/37/24/22/558372422.db2.gz BZFGKJDYQKDVKV-QHCPKHFHSA-N 1 0 422.573 3.219 50 0 HGAARO O=C(NCC1CCOCC1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012308215 558376510 /nfs/dbraw/zinc/37/65/10/558376510.db2.gz VUSYLDJWNUTUSH-UHFFFAOYSA-N 1 0 409.530 3.281 50 0 HGAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N(C)Cc4cccnc4)CC3)CC2)n1 ZINC000012308439 558376777 /nfs/dbraw/zinc/37/67/77/558376777.db2.gz REVMYQSVJDUCJH-UHFFFAOYSA-N 1 0 421.589 3.120 50 0 HGAARO O=c1ccc(-c2ccccc2)nn1CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000012314485 558378040 /nfs/dbraw/zinc/37/80/40/558378040.db2.gz SERRHOHHZPUOGH-UHFFFAOYSA-N 1 0 407.424 3.368 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(OC)cc2)C1=O ZINC000020503989 558381254 /nfs/dbraw/zinc/38/12/54/558381254.db2.gz PBEUJHKXZRRKLN-RMDTYCCRSA-N 1 0 405.498 3.297 50 0 HGAARO Cc1cccc(N2C(=O)c3ccccc3/C(=C\NCCC[NH+]3CCOCC3)C2=O)c1C ZINC000020533369 558384547 /nfs/dbraw/zinc/38/45/47/558384547.db2.gz KPCXFUWOSAKRJA-OQKWZONESA-N 1 0 419.525 3.143 50 0 HGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc3ccc(F)cc3n(Cc3ccncc3)c2=O)C1 ZINC000012452032 558416122 /nfs/dbraw/zinc/41/61/22/558416122.db2.gz SDTMPVAVISFPQK-LJQANCHMSA-N 1 0 423.488 3.359 50 0 HGAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000020840981 558417371 /nfs/dbraw/zinc/41/73/71/558417371.db2.gz ZXIALPURIZLWPO-UHFFFAOYSA-N 1 0 412.534 3.152 50 0 HGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000012703890 558448574 /nfs/dbraw/zinc/44/85/74/558448574.db2.gz SPCRNXVMZSYUQQ-UHFFFAOYSA-N 1 0 409.578 3.141 50 0 HGAARO Cc1cc(N2CCN(C(=O)[C@@H]3CCC(=O)N(CC4CCCCC4)C3)CC2)cc(C)[nH+]1 ZINC000012708056 558450586 /nfs/dbraw/zinc/45/05/86/558450586.db2.gz LDZGSKBSDLHKQO-OAQYLSRUSA-N 1 0 412.578 3.166 50 0 HGAARO CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000012711768 558453094 /nfs/dbraw/zinc/45/30/94/558453094.db2.gz JXHZRLPPBUQHCK-JOCHJYFZSA-N 1 0 409.530 3.284 50 0 HGAARO COc1cc(CN(C)Cc2csc(C)n2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012747416 558458402 /nfs/dbraw/zinc/45/84/02/558458402.db2.gz BKACSJBVKTVJKP-IBGZPJMESA-N 1 0 407.580 3.172 50 0 HGAARO c1c(C[NH2+]CCN2CCCC2)c(-c2ccc3c(c2)OCCO3)nn1-c1ccccc1 ZINC000022025349 558458807 /nfs/dbraw/zinc/45/88/07/558458807.db2.gz KUKHPIPRMFRZSC-UHFFFAOYSA-N 1 0 404.514 3.496 50 0 HGAARO CCn1ncc(C[NH+]2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)c1C ZINC000012760642 558460898 /nfs/dbraw/zinc/46/08/98/558460898.db2.gz HPYAUTFEVPLUOH-UHFFFAOYSA-N 1 0 410.518 3.445 50 0 HGAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccccc2SC)CC1 ZINC000012762628 558461295 /nfs/dbraw/zinc/46/12/95/558461295.db2.gz DGOAESQSKKVNJP-LJQANCHMSA-N 1 0 406.592 3.388 50 0 HGAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000012977931 558492369 /nfs/dbraw/zinc/49/23/69/558492369.db2.gz DCPNMNGPPKHQIL-UHFFFAOYSA-N 1 0 415.559 3.116 50 0 HGAARO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](C(C)C)[NH+](C)C ZINC000022754487 558508190 /nfs/dbraw/zinc/50/81/90/558508190.db2.gz VGXMPTSHGXICLL-DLBZAZTESA-N 1 0 402.366 3.450 50 0 HGAARO O=c1c(Cl)c(NCCN2CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000022935168 558526187 /nfs/dbraw/zinc/52/61/87/558526187.db2.gz SNZGENNJCQZOAP-UHFFFAOYSA-N 1 0 423.948 3.116 50 0 HGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3cnc(SC)nc3)C2)cc1OC ZINC000023360921 558552187 /nfs/dbraw/zinc/55/21/87/558552187.db2.gz GMOFKHYKGKAIBL-IBGZPJMESA-N 1 0 416.591 3.355 50 0 HGAARO COc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)cc1O ZINC000023374286 558554194 /nfs/dbraw/zinc/55/41/94/558554194.db2.gz VIPLJIXTOPZJKT-HXUWFJFHSA-N 1 0 411.546 3.196 50 0 HGAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+]CCN1CCOCC1)c1ccccc1 ZINC000023426126 558558296 /nfs/dbraw/zinc/55/82/96/558558296.db2.gz SXDRCZWGAGEVLE-LJQANCHMSA-N 1 0 407.436 3.307 50 0 HGAARO Cc1nc(COc2ccccc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000023613011 558563860 /nfs/dbraw/zinc/56/38/60/558563860.db2.gz LPGDFLPHODGVQB-UHFFFAOYSA-N 1 0 406.486 3.351 50 0 HGAARO O[C@@H](COCc1cccs1)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000024632093 558605802 /nfs/dbraw/zinc/60/58/02/558605802.db2.gz MZJADLNSIFQRAD-QGZVFWFLSA-N 1 0 400.466 3.467 50 0 HGAARO C[N@H+](CCN1C(=O)CNC1=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000024843652 558617145 /nfs/dbraw/zinc/61/71/45/558617145.db2.gz QFDXTIFQUJCRPC-UHFFFAOYSA-N 1 0 423.904 3.176 50 0 HGAARO O=C(CCNC(=O)c1ccc2ccccc2c1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000024915949 558620175 /nfs/dbraw/zinc/62/01/75/558620175.db2.gz ABXPAUQETORPGV-UHFFFAOYSA-N 1 0 401.510 3.134 50 0 HGAARO Cc1ccccc1N(CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)S(C)(=O)=O ZINC000014184297 558629847 /nfs/dbraw/zinc/62/98/47/558629847.db2.gz OLAIGTKKQGFWTL-UHFFFAOYSA-N 1 0 421.607 3.066 50 0 HGAARO CC(C)[C@@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000014232977 558640492 /nfs/dbraw/zinc/64/04/92/558640492.db2.gz IQVIARQMGFVHCW-HSZRJFAPSA-N 1 0 409.486 3.120 50 0 HGAARO CSC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC(C)C ZINC000014531043 558656071 /nfs/dbraw/zinc/65/60/71/558656071.db2.gz IYBDKLXRTGEQAY-KRWDZBQOSA-N 1 0 404.580 3.088 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]CCc1ccccc1F)CC2 ZINC000014534349 558657321 /nfs/dbraw/zinc/65/73/21/558657321.db2.gz HASGEQOIOMWPHW-KRWDZBQOSA-N 1 0 410.493 3.114 50 0 HGAARO COc1ccc(N2C[C@@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2COCC3)cc1 ZINC000026441654 558661081 /nfs/dbraw/zinc/66/10/81/558661081.db2.gz KTQDDWWHZIUGTH-RUZDIDTESA-N 1 0 401.486 3.469 50 0 HGAARO CO[C@H]1CN(Cc2ccccc2)C(=O)CN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000014732144 558665704 /nfs/dbraw/zinc/66/57/04/558665704.db2.gz IRESWUYACHEPQW-RUZDIDTESA-N 1 0 421.585 3.053 50 0 HGAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]C1CCCCCC1)C2 ZINC000014732972 558665868 /nfs/dbraw/zinc/66/58/68/558665868.db2.gz HHBFXHYWBWYGIM-LJQANCHMSA-N 1 0 402.583 3.181 50 0 HGAARO CCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000022936132 558666426 /nfs/dbraw/zinc/66/64/26/558666426.db2.gz QGKORUKSVWTZLH-UHFFFAOYSA-N 1 0 421.545 3.130 50 0 HGAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([NH2+]Cc1cccc(F)c1)C2 ZINC000014742489 558667666 /nfs/dbraw/zinc/66/76/66/558667666.db2.gz PFQXNEYZSWOOEC-NRFANRHFSA-N 1 0 418.516 3.405 50 0 HGAARO CCc1nn2c(nc(C[N@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)cc2=O)s1 ZINC000027236721 558671249 /nfs/dbraw/zinc/67/12/49/558671249.db2.gz WVQYQJGTKWVSTE-UHFFFAOYSA-N 1 0 412.515 3.387 50 0 HGAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1)c1cc(F)c(F)cc1F ZINC000014884747 558677182 /nfs/dbraw/zinc/67/71/82/558677182.db2.gz NMBPZQXYYBPNBI-MRXNPFEDSA-N 1 0 419.447 3.443 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cn(Cc2ccccc2Cl)nn1 ZINC000014954556 558682014 /nfs/dbraw/zinc/68/20/14/558682014.db2.gz FVBWJBRKVQDMIY-UHFFFAOYSA-N 1 0 409.921 3.374 50 0 HGAARO Cc1cccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1C ZINC000027793275 558682634 /nfs/dbraw/zinc/68/26/34/558682634.db2.gz JQFSPRWYTLCTQD-OAQYLSRUSA-N 1 0 415.965 3.441 50 0 HGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc4c(c3)no[n+]4[O-])C2)cc1 ZINC000014966596 558685957 /nfs/dbraw/zinc/68/59/57/558685957.db2.gz AMOVUOOYIHATNF-FQEVSTJZSA-N 1 0 408.502 3.054 50 0 HGAARO O=C(Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(OCCO)c2)C1 ZINC000014977452 558689676 /nfs/dbraw/zinc/68/96/76/558689676.db2.gz NWAJWFBKFLWOJM-VWNXMTODSA-N 1 0 408.542 3.113 50 0 HGAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]CCn3ccnc3)CC2)cc1 ZINC000015001647 558698110 /nfs/dbraw/zinc/69/81/10/558698110.db2.gz JESREMHIEJEFCJ-UHFFFAOYSA-N 1 0 419.529 3.159 50 0 HGAARO OCCOc1ccc(C[NH2+]Cc2ccccc2Cn2cccn2)c(Br)c1 ZINC000029656470 558718335 /nfs/dbraw/zinc/71/83/35/558718335.db2.gz JHSKXPNBFFYUIT-UHFFFAOYSA-N 1 0 416.319 3.355 50 0 HGAARO Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCC[NH+]2CCCCC2)s1 ZINC000032995358 558809794 /nfs/dbraw/zinc/80/97/94/558809794.db2.gz YNSUFIYIBREHEI-UHFFFAOYSA-N 1 0 415.563 3.024 50 0 HGAARO C[C@@H](Cc1cnccn1)NC(=O)C1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039354916 558820289 /nfs/dbraw/zinc/82/02/89/558820289.db2.gz LBLNGKJPGWDPBS-IBGZPJMESA-N 1 0 400.526 3.193 50 0 HGAARO COc1cc(Cl)cc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)c1OC ZINC000039454781 558821471 /nfs/dbraw/zinc/82/14/71/558821471.db2.gz FUKBEBOSYDHBLT-HXUWFJFHSA-N 1 0 404.938 3.426 50 0 HGAARO CC[NH+]1CCN(CCNC(=O)c2nc3ccccn3c2-c2ccc(Cl)cc2)CC1 ZINC000097939339 558825669 /nfs/dbraw/zinc/82/56/69/558825669.db2.gz LZNSTCXDVAOUJU-UHFFFAOYSA-N 1 0 411.937 3.022 50 0 HGAARO COc1ccc(OC)c(C(F)(F)C(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000072313180 558838341 /nfs/dbraw/zinc/83/83/41/558838341.db2.gz JGHVBGHDNGEYPT-UHFFFAOYSA-N 1 0 408.445 3.052 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031772 558856555 /nfs/dbraw/zinc/85/65/55/558856555.db2.gz ZELCMSHAPAJNQK-KRWDZBQOSA-N 1 0 412.509 3.164 50 0 HGAARO COc1ccc2ccc(OCc3nc(C(=O)N(C)C[C@H]4CC[N@H+](C)C4)co3)cc2c1 ZINC000067975020 558862437 /nfs/dbraw/zinc/86/24/37/558862437.db2.gz IZOVCDDBXUQNFG-INIZCTEOSA-N 1 0 409.486 3.439 50 0 HGAARO Ic1ccc(N2CC[NH+](Cc3c[nH]c4ncccc34)CC2)cc1 ZINC000053151316 558862827 /nfs/dbraw/zinc/86/28/27/558862827.db2.gz OOEUHRGMLFVKQO-UHFFFAOYSA-N 1 0 418.282 3.490 50 0 in-vitro HGAARO Cc1c(C[NH+]2CCC(Cc3noc(C4CC4)n3)CC2)c2ccccc2n1CC(N)=O ZINC000055061087 558871309 /nfs/dbraw/zinc/87/13/09/558871309.db2.gz MYZZJLYJTIXPDV-UHFFFAOYSA-N 1 0 407.518 3.150 50 0 HGAARO CC[N@@H+]1CCC[C@@H](CNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)C1 ZINC000058060278 558897375 /nfs/dbraw/zinc/89/73/75/558897375.db2.gz CJLSHKZPIFHVJV-LBPRGKRZSA-N 1 0 415.847 3.444 50 0 HGAARO CCOc1ccc(-c2nc(C(=O)NC(C)(C)c3noc(CN(C)C)n3)cs2)cc1 ZINC000058157962 558903370 /nfs/dbraw/zinc/90/33/70/558903370.db2.gz BDWQPHQEYUNLGT-UHFFFAOYSA-N 1 0 415.519 3.319 50 0 HGAARO Cc1csc2c1ncnc2N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071575208 558905203 /nfs/dbraw/zinc/90/52/03/558905203.db2.gz CPYVEEYXIXWKSP-KRWDZBQOSA-N 1 0 413.591 3.303 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)N1CCC(C(=O)Nc2ccccn2)CC1)CC(C)C ZINC000058161812 558905858 /nfs/dbraw/zinc/90/58/58/558905858.db2.gz XWFCYBOLOOXYSF-IBGZPJMESA-N 1 0 403.571 3.198 50 0 HGAARO O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058268693 558916075 /nfs/dbraw/zinc/91/60/75/558916075.db2.gz RNIBFJNPVVQZCL-GOSISDBHSA-N 1 0 405.564 3.495 50 0 HGAARO CCOC(=O)c1ccn(-c2cccc(NC(=O)NCC3([NH+](C)C)CCCCC3)c2)n1 ZINC000058308223 558918741 /nfs/dbraw/zinc/91/87/41/558918741.db2.gz CRYWOYWQXSZOHW-UHFFFAOYSA-N 1 0 413.522 3.435 50 0 HGAARO Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000058323070 558919354 /nfs/dbraw/zinc/91/93/54/558919354.db2.gz GTBJOOPAJSKQKM-UHFFFAOYSA-N 1 0 405.502 3.260 50 0 HGAARO CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000058316745 558919379 /nfs/dbraw/zinc/91/93/79/558919379.db2.gz YIIGAGAETZOJJK-QKLQHJQFSA-N 1 0 406.546 3.030 50 0 HGAARO CCC(CC)[C@@H](CNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)[NH+]1CCCC1 ZINC000058324403 558919538 /nfs/dbraw/zinc/91/95/38/558919538.db2.gz WKEBMGLWUIRJSP-OAQYLSRUSA-N 1 0 416.566 3.181 50 0 HGAARO O=C(N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OCc1cccnc1)c1ccco1 ZINC000072165530 558930161 /nfs/dbraw/zinc/93/01/61/558930161.db2.gz JEOKQEWULPGOBT-YADHBBJMSA-N 1 0 403.482 3.366 50 0 HGAARO Cc1ccc(OCC(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000059300012 558933605 /nfs/dbraw/zinc/93/36/05/558933605.db2.gz JQZALQNCELMQPP-QFIPXVFZSA-N 1 0 411.521 3.326 50 0 HGAARO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cn2cncn2)cc1 ZINC000072403520 558964319 /nfs/dbraw/zinc/96/43/19/558964319.db2.gz NHGNBEPFGKEBLV-UHFFFAOYSA-N 1 0 424.936 3.131 50 0 HGAARO Cc1nc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)cc(N2CCCCC2)[nH+]1 ZINC000067629733 558990318 /nfs/dbraw/zinc/99/03/18/558990318.db2.gz KEVBZHSZBIHVLH-UHFFFAOYSA-N 1 0 401.461 3.016 50 0 HGAARO C[C@H](C(=O)N1CCC2(CN(CC[N@H+](C)C3CCCCC3)C(=O)O2)CC1)n1cccc1 ZINC000077353764 559002121 /nfs/dbraw/zinc/00/21/21/559002121.db2.gz MQKPGDLRCZFMSN-LJQANCHMSA-N 1 0 416.566 3.127 50 0 HGAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(c3ncccc3F)CC2)C1 ZINC000082087817 559036998 /nfs/dbraw/zinc/03/69/98/559036998.db2.gz UQZKXLKSDFPQIJ-HXUWFJFHSA-N 1 0 410.537 3.260 50 0 HGAARO CN(C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)C(C1CC1)C1CC1 ZINC000082106170 559038132 /nfs/dbraw/zinc/03/81/32/559038132.db2.gz OCLXAYVGJPOPBE-QFIPXVFZSA-N 1 0 410.606 3.405 50 0 HGAARO CN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)C1CCOCC1 ZINC000082114559 559038999 /nfs/dbraw/zinc/03/89/99/559038999.db2.gz CSPNHTMKEAVIEQ-JOCHJYFZSA-N 1 0 413.606 3.043 50 0 HGAARO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)s1 ZINC000082138672 559040697 /nfs/dbraw/zinc/04/06/97/559040697.db2.gz SOZGQLOPLITNDD-FQEVSTJZSA-N 1 0 412.603 3.444 50 0 HGAARO O[C@@H](COCCOc1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023224715 559062751 /nfs/dbraw/zinc/06/27/51/559062751.db2.gz UVUNLILQKZSHRB-HXUWFJFHSA-N 1 0 408.901 3.058 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C ZINC000004787798 559064267 /nfs/dbraw/zinc/06/42/67/559064267.db2.gz OUCDQKULCAYKRW-QGZVFWFLSA-N 1 0 408.546 3.415 50 0 HGAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC(F)(F)CC1 ZINC000091635774 559072612 /nfs/dbraw/zinc/07/26/12/559072612.db2.gz HLFMBMYUMFUQTH-IBGZPJMESA-N 1 0 406.521 3.016 50 0 HGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc(CO)ccn1 ZINC000095516827 559084549 /nfs/dbraw/zinc/08/45/49/559084549.db2.gz WGBPUVBMGKVBTF-LJQANCHMSA-N 1 0 401.938 3.254 50 0 HGAARO CC(C)OC(=O)N1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095528415 559086444 /nfs/dbraw/zinc/08/64/44/559086444.db2.gz GVLHFUKGWLVCSD-NRFANRHFSA-N 1 0 401.551 3.414 50 0 HGAARO CC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)CC1 ZINC000011527060 559087627 /nfs/dbraw/zinc/08/76/27/559087627.db2.gz DVIVTJHZVYXHKU-QGZVFWFLSA-N 1 0 400.350 3.348 50 0 HGAARO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000011527202 559087712 /nfs/dbraw/zinc/08/77/12/559087712.db2.gz ABUYMDATXFJPFH-SFHVURJKSA-N 1 0 412.361 3.491 50 0 HGAARO COCCN(C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247808690 559119559 /nfs/dbraw/zinc/11/95/59/559119559.db2.gz BFMVLCFRMIGXQR-RXVVDRJESA-N 1 0 420.550 3.224 50 0 HGAARO COc1ccc(NC(=O)c2ccc(CN3CC[NH+](C[C@H]4CCCO4)CC3)cc2)cc1 ZINC000023761757 559180974 /nfs/dbraw/zinc/18/09/74/559180974.db2.gz GSINNJPYHCFING-HSZRJFAPSA-N 1 0 409.530 3.244 50 0 HGAARO Cc1cccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCC3)c1C ZINC000004851826 559191337 /nfs/dbraw/zinc/19/13/37/559191337.db2.gz GOPGETNBVFDZCI-UHFFFAOYSA-N 1 0 414.575 3.031 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccn2c(=O)c3c(nc12)sc1c3CCCC1 ZINC000004971769 559220914 /nfs/dbraw/zinc/22/09/14/559220914.db2.gz LGBHFEWGYZPGRO-OAHLLOKOSA-N 1 0 424.570 3.392 50 0 HGAARO CC[N@H+](CCCNC(=O)Cn1ncc2c1c1ccccc1oc2=O)Cc1ccccc1 ZINC000005004108 559226747 /nfs/dbraw/zinc/22/67/47/559226747.db2.gz JSKOQABEOJJIFG-UHFFFAOYSA-N 1 0 418.497 3.171 50 0 HGAARO CC[NH+](CC)C[C@@H](O)COc1cc(CN(C)Cc2csc(C)n2)ccc1OC ZINC000011705986 559231986 /nfs/dbraw/zinc/23/19/86/559231986.db2.gz HQBAADVNHOXDKC-LJQANCHMSA-N 1 0 407.580 3.174 50 0 HGAARO Cc1oc2c(c1C(=O)NCCC[N@H+](Cc1ccccc1)C(C)C)C1=NCCN1C=N2 ZINC000100696067 559257094 /nfs/dbraw/zinc/25/70/94/559257094.db2.gz AZLCKEAWYHHFJE-UHFFFAOYSA-N 1 0 407.518 3.354 50 0 HGAARO Brc1cc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)cc2c1OCO2 ZINC000017318276 560708834 /nfs/dbraw/zinc/70/88/34/560708834.db2.gz MEIIRWZVECFARV-UHFFFAOYSA-N 1 0 419.319 3.300 50 0 HGAARO O=c1occ(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c([O-])c1C[NH+]1CCCCC1 ZINC000101373378 560792446 /nfs/dbraw/zinc/79/24/46/560792446.db2.gz QPYCQGZSDMBGPJ-UHFFFAOYSA-N 1 0 417.937 3.307 50 0 HGAARO O=C(CCc1nc2cc(Br)cnc2[nH]1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000101413518 560794482 /nfs/dbraw/zinc/79/44/82/560794482.db2.gz HDCXFIQASNQSDD-CZUORRHYSA-N 1 0 420.355 3.034 50 0 HGAARO Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000107527301 560896756 /nfs/dbraw/zinc/89/67/56/560896756.db2.gz BJTHURNOIMYEGL-ROUUACIJSA-N 1 0 411.527 3.324 50 0 HGAARO C[NH+](C)C[C@@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[C@@H](O)c1ccccc1 ZINC000048278424 568435799 /nfs/dbraw/zinc/43/57/99/568435799.db2.gz CMJOFTRJPPJZHU-KNQAVFIVSA-N 1 0 411.550 3.105 50 0 HGAARO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000048303172 568437937 /nfs/dbraw/zinc/43/79/37/568437937.db2.gz HEGBMSRZWOAUGS-GOSISDBHSA-N 1 0 422.554 3.161 50 0 HGAARO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1cccc2nsnc21 ZINC000048325690 568438649 /nfs/dbraw/zinc/43/86/49/568438649.db2.gz CFPOQWZOTMWHIK-UHFFFAOYSA-N 1 0 410.590 3.286 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000048341329 568440352 /nfs/dbraw/zinc/44/03/52/568440352.db2.gz WDPRJRVCWYHJSM-ROUUACIJSA-N 1 0 414.571 3.498 50 0 HGAARO COc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)c(OC)c1OC ZINC000048747650 568443407 /nfs/dbraw/zinc/44/34/07/568443407.db2.gz DFQDJZIBEIYQIZ-UHFFFAOYSA-N 1 0 410.264 3.493 50 0 HGAARO CNC(=O)COc1ccc(C[NH2+]CCOc2cccc(C(F)(F)F)c2)cc1OC ZINC000048822698 568443493 /nfs/dbraw/zinc/44/34/93/568443493.db2.gz IWFDDSXGPCFOFY-UHFFFAOYSA-N 1 0 412.408 3.007 50 0 HGAARO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)C[NH+](C)C ZINC000049946135 568453510 /nfs/dbraw/zinc/45/35/10/568453510.db2.gz PMHZKBOQPBINQX-INIZCTEOSA-N 1 0 402.366 3.452 50 0 HGAARO O=C(NCCCn1ccnc1)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000012306182 568464555 /nfs/dbraw/zinc/46/45/55/568464555.db2.gz BWIHPKLOBOWMHU-UHFFFAOYSA-N 1 0 419.529 3.142 50 0 HGAARO Cc1ccc(C(=O)NC2CCN(C(=O)NCC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)o1 ZINC000051711892 568473357 /nfs/dbraw/zinc/47/33/57/568473357.db2.gz VOFCGFKUAHMWQY-CALCHBBNSA-N 1 0 418.582 3.248 50 0 HGAARO C[NH+]1CCN(CCCNC(=O)CCCn2nc(-c3ccccc3)c3ccccc32)CC1 ZINC000020355694 568600049 /nfs/dbraw/zinc/60/00/49/568600049.db2.gz KJDXCXLDTQXQSX-UHFFFAOYSA-N 1 0 419.573 3.237 50 0 HGAARO COC(=O)C1CC[NH+](CCCNC(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000095403453 568605779 /nfs/dbraw/zinc/60/57/79/568605779.db2.gz GVZFGRRKMBNIFS-GFCCVEGCSA-N 1 0 417.369 3.005 50 0 HGAARO Cc1nn([C@H](C)C(=O)NCC[N@@H+]2CCCC[C@H]2C)c(=O)c2c3ccccc3sc21 ZINC000020466985 568610249 /nfs/dbraw/zinc/61/02/49/568610249.db2.gz PAAARZPLPHHPHR-GDBMZVCRSA-N 1 0 412.559 3.471 50 0 HGAARO CCC[NH+]1CCN(C(=O)[C@@H](CC)n2nc(C)c3sc4ccccc4c3c2=O)CC1 ZINC000020467018 568610288 /nfs/dbraw/zinc/61/02/88/568610288.db2.gz DDNCSWZFYNEXKA-QGZVFWFLSA-N 1 0 412.559 3.425 50 0 HGAARO CCn1ccnc1[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(I)cc1 ZINC000095452950 568615536 /nfs/dbraw/zinc/61/55/36/568615536.db2.gz MMYRFVCGRLJOSE-XJKSGUPXSA-N 1 0 411.287 3.223 50 0 HGAARO CCn1ccnc1[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(I)cc1 ZINC000095452953 568615577 /nfs/dbraw/zinc/61/55/77/568615577.db2.gz MMYRFVCGRLJOSE-CJNGLKHVSA-N 1 0 411.287 3.223 50 0 HGAARO CCCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000020677540 568639702 /nfs/dbraw/zinc/63/97/02/568639702.db2.gz JXMAYDKUMHVQGU-UHFFFAOYSA-N 1 0 421.545 3.455 50 0 HGAARO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000225500159 568643644 /nfs/dbraw/zinc/64/36/44/568643644.db2.gz IMRPHRBFTKBQKT-MJGOQNOKSA-N 1 0 419.953 3.086 50 0 HGAARO Cn1c2ccc(F)cc2nc1NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000225706811 568666241 /nfs/dbraw/zinc/66/62/41/568666241.db2.gz YELHDSKXGXLCFF-UHFFFAOYSA-N 1 0 406.465 3.390 50 0 HGAARO COc1cc(C[N@H+](C)CC(C)(CO)CO)ccc1OCCOc1ccccc1Cl ZINC000095982904 568675538 /nfs/dbraw/zinc/67/55/38/568675538.db2.gz VNYUDMJHHJVLJD-UHFFFAOYSA-N 1 0 423.937 3.229 50 0 HGAARO C[C@H]([NH2+]CCCOCc1ccco1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013613 568685399 /nfs/dbraw/zinc/68/53/99/568685399.db2.gz NOUXIHQKFFJZKE-RXVVDRJESA-N 1 0 402.491 3.202 50 0 HGAARO CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000229637924 568714851 /nfs/dbraw/zinc/71/48/51/568714851.db2.gz YIIGAGAETZOJJK-UWVAXJGDSA-N 1 0 406.546 3.030 50 0 HGAARO CCc1ccc(N2CC[C@@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000021642752 568727805 /nfs/dbraw/zinc/72/78/05/568727805.db2.gz SOQVPJDHXIWPDL-QHCPKHFHSA-N 1 0 405.542 3.167 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000012459839 568756548 /nfs/dbraw/zinc/75/65/48/568756548.db2.gz MKPZLRODPJCRMM-IBGZPJMESA-N 1 0 419.541 3.067 50 0 HGAARO Cn1ncc2c1nc(N1CCC([NH+]3CCCCC3)CC1)nc2NCc1ccccc1 ZINC000021929112 568761638 /nfs/dbraw/zinc/76/16/38/568761638.db2.gz SOLJMGBPUQKGBY-UHFFFAOYSA-N 1 0 405.550 3.430 50 0 HGAARO COc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000005855026 568826095 /nfs/dbraw/zinc/82/60/95/568826095.db2.gz YSJWZJBSYZULKL-UHFFFAOYSA-N 1 0 423.579 3.074 50 0 HGAARO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)c2cccs2)CC1 ZINC000029754323 568828834 /nfs/dbraw/zinc/82/88/34/568828834.db2.gz FZIWYLRRDCLRKB-RTBURBONSA-N 1 0 413.591 3.344 50 0 HGAARO Cc1cccc(-n2c(CC(=O)NCC[N@H+]3CCCC[C@H]3C)c3[nH]cccc-3c2=O)c1 ZINC000230114266 568847363 /nfs/dbraw/zinc/84/73/63/568847363.db2.gz FQVWUWPKZYEKMO-NQIIRXRSSA-N 1 0 406.530 3.472 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003043737 568848122 /nfs/dbraw/zinc/84/81/22/568848122.db2.gz ZCXSKZVVSVSTFP-KRWDZBQOSA-N 1 0 408.527 3.262 50 0 HGAARO Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000012553740 568854717 /nfs/dbraw/zinc/85/47/17/568854717.db2.gz XQNKNNMZVOOHRJ-FQEVSTJZSA-N 1 0 421.570 3.496 50 0 HGAARO Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)/C=C/c3ccccc3)CC2)c1 ZINC000030361157 568861988 /nfs/dbraw/zinc/86/19/88/568861988.db2.gz WRBDRVCTICGWPF-XDHOZWIPSA-N 1 0 413.587 3.488 50 0 HGAARO O=c1[nH]c2cc(S(=O)(=O)NC[C@H](c3ccccc3)[NH+]3CCCCCC3)ccc2o1 ZINC000670434378 568869652 /nfs/dbraw/zinc/86/96/52/568869652.db2.gz OYQNYZONSGKOLM-LJQANCHMSA-N 1 0 415.515 3.429 50 0 HGAARO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](Cc2ccsc2)CC3)CC1 ZINC000299768767 568873889 /nfs/dbraw/zinc/87/38/89/568873889.db2.gz QCEWDKWTUYEWSX-SFHVURJKSA-N 1 0 405.564 3.087 50 0 HGAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000299785290 568875455 /nfs/dbraw/zinc/87/54/55/568875455.db2.gz ZYPHDWZNGQDHQA-OAQYLSRUSA-N 1 0 416.468 3.236 50 0 HGAARO CC(C)(C)c1ccc(S(=O)(=O)CCN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000263586218 568878776 /nfs/dbraw/zinc/87/87/76/568878776.db2.gz RJIHDTYNHTXHGB-ZWKOTPCHSA-N 1 0 414.571 3.039 50 0 biogenic HGAARO COc1cc(CC[C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)ccc1O ZINC000004038160 568879853 /nfs/dbraw/zinc/87/98/53/568879853.db2.gz YFGLNZHQZLOTLC-IAGOWNOFSA-N 1 0 415.486 3.051 50 0 biogenic HGAARO NC(=O)N[C@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccs1 ZINC000058064282 568881798 /nfs/dbraw/zinc/88/17/98/568881798.db2.gz IWKROARRAKQZHJ-GOSISDBHSA-N 1 0 400.548 3.150 50 0 HGAARO CN(C)C(=O)N1CCC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000670440453 568892435 /nfs/dbraw/zinc/89/24/35/568892435.db2.gz MPNGRIIHNZJBJB-NRFANRHFSA-N 1 0 400.567 3.114 50 0 HGAARO Cc1cccc(OC[C@@H](O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=N)c1 ZINC000001238862 568907052 /nfs/dbraw/zinc/90/70/52/568907052.db2.gz DDXGBMILSYHELN-FQEVSTJZSA-N 1 0 408.546 3.156 50 0 HGAARO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000031286536 568921992 /nfs/dbraw/zinc/92/19/92/568921992.db2.gz YDXQXWUUYDVEKM-UHFFFAOYSA-N 1 0 405.520 3.031 50 0 HGAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(I)cc1 ZINC000031337935 568924444 /nfs/dbraw/zinc/92/44/44/568924444.db2.gz VRDSTCKEQGKPDM-UHFFFAOYSA-N 1 0 406.267 3.079 50 0 HGAARO Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)C(F)(F)F ZINC000084011923 568932901 /nfs/dbraw/zinc/93/29/01/568932901.db2.gz VHCVZSGJKBVKME-GOSISDBHSA-N 1 0 424.471 3.214 50 0 HGAARO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@H](O)[C@@H]21 ZINC000004028672 568934110 /nfs/dbraw/zinc/93/41/10/568934110.db2.gz SYTZVGPWDLPTPO-NYMVIXKVSA-N 1 0 413.558 3.325 50 0 biogenic HGAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1Cl ZINC000012765465 568948045 /nfs/dbraw/zinc/94/80/45/568948045.db2.gz PZTUMEPKCZPJGJ-GOSISDBHSA-N 1 0 424.954 3.192 50 0 HGAARO C[C@H](c1nc(-c2nc[nH]n2)no1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000084667731 568955065 /nfs/dbraw/zinc/95/50/65/568955065.db2.gz INIHMUJMUHDMQV-QGZVFWFLSA-N 1 0 415.501 3.323 50 0 HGAARO CCCC[N@H+](CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1)Cc1ccco1 ZINC000015677603 568965799 /nfs/dbraw/zinc/96/57/99/568965799.db2.gz GNERKWVSRLDMDZ-UHFFFAOYSA-N 1 0 422.529 3.358 50 0 HGAARO Cn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCC[NH+]1CCCCCC1 ZINC000015681700 568968178 /nfs/dbraw/zinc/96/81/78/568968178.db2.gz FREQMCXEAJXYIG-UHFFFAOYSA-N 1 0 400.498 3.050 50 0 HGAARO O=S(=O)(c1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1)N1CCOCC1 ZINC000008307097 568988593 /nfs/dbraw/zinc/98/85/93/568988593.db2.gz MIRHBNUXABJJAE-UHFFFAOYSA-N 1 0 414.571 3.162 50 0 HGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@H]1CCO ZINC000104338751 569008337 /nfs/dbraw/zinc/00/83/37/569008337.db2.gz FIYKRICMJPUFLY-JOCHJYFZSA-N 1 0 408.521 3.389 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3cc(CC(C)C)n[nH]3)C[C@H]2CCO)c(C)c1C ZINC000106740157 569009204 /nfs/dbraw/zinc/00/92/04/569009204.db2.gz WLKIKMBLCSUMDZ-HSZRJFAPSA-N 1 0 414.594 3.302 50 0 HGAARO CC(C)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000016042051 569028161 /nfs/dbraw/zinc/02/81/61/569028161.db2.gz ZYLKFGNREPUGAC-QPXQOZNCSA-N 1 0 423.900 3.311 50 0 biogenic HGAARO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000012943973 569028881 /nfs/dbraw/zinc/02/88/81/569028881.db2.gz PDOWKSQGAVHAKJ-UHFFFAOYSA-N 1 0 418.559 3.414 50 0 HGAARO C[C@@H](CCNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1)[NH+]1CCCCCC1 ZINC000035373758 569034219 /nfs/dbraw/zinc/03/42/19/569034219.db2.gz BDEXQECCXQJVLS-IBGZPJMESA-N 1 0 423.561 3.204 50 0 HGAARO C[C@H](CCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1)[NH+]1CCCC1 ZINC000035398348 569035133 /nfs/dbraw/zinc/03/51/33/569035133.db2.gz MKSQZORJESRZOQ-LJQANCHMSA-N 1 0 407.562 3.351 50 0 HGAARO O=C1NC2(CC[NH+](Cc3cccc(F)c3)CC2)N=C1c1ccc(Br)cc1 ZINC000035430929 569036760 /nfs/dbraw/zinc/03/67/60/569036760.db2.gz LGXHCYJCAPAENL-UHFFFAOYSA-N 1 0 416.294 3.499 50 0 HGAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000035455086 569037847 /nfs/dbraw/zinc/03/78/47/569037847.db2.gz YNSFENVVDJNGGD-LJQANCHMSA-N 1 0 411.525 3.101 50 0 HGAARO CC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(C)c1 ZINC000023127728 569047069 /nfs/dbraw/zinc/04/70/69/569047069.db2.gz PMIQCBGQVXUZGB-UHFFFAOYSA-N 1 0 421.588 3.205 50 0 HGAARO O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000013001544 569049510 /nfs/dbraw/zinc/04/95/10/569049510.db2.gz JOZUWPIWSNXBEX-HXUWFJFHSA-N 1 0 410.905 3.072 50 0 HGAARO COc1ccc([C@@H](CNC(=O)CNC(=O)c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000013009099 569049884 /nfs/dbraw/zinc/04/98/84/569049884.db2.gz YCDJBSSALFSVAT-HXUWFJFHSA-N 1 0 415.921 3.032 50 0 HGAARO CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462257831 569052862 /nfs/dbraw/zinc/05/28/62/569052862.db2.gz JPYYPXAXVLDHOX-OXJNMPFZSA-N 1 0 401.532 3.122 50 0 HGAARO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000239402894 569054297 /nfs/dbraw/zinc/05/42/97/569054297.db2.gz RGMFWZJLWGHHAD-QYZOEREBSA-N 1 0 419.591 3.310 50 0 HGAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245242166 569055296 /nfs/dbraw/zinc/05/52/96/569055296.db2.gz GDODBXYULPSREU-KEXUJGGDSA-N 1 0 421.884 3.080 50 0 HGAARO Cc1onc(-c2ccncc2)c1C(=O)NCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000064472291 569063543 /nfs/dbraw/zinc/06/35/43/569063543.db2.gz QJGDAOUYQWPZAK-UHFFFAOYSA-N 1 0 411.550 3.115 50 0 HGAARO COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCC[NH+](C)C)cc1 ZINC000005668142 569072021 /nfs/dbraw/zinc/07/20/21/569072021.db2.gz PRABQPXMQNMVAT-HMMYKYKNSA-N 1 0 415.921 3.187 50 0 HGAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CCc4ccccn4)C3)C2=O)c1OC ZINC000426397355 569072597 /nfs/dbraw/zinc/07/25/97/569072597.db2.gz HPBCIDUMMFSUEW-DEOSSOPVSA-N 1 0 409.530 3.156 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)N(C)C[C@@H]3CCCC[N@@H+]3C)csc2C1 ZINC000426432064 569072953 /nfs/dbraw/zinc/07/29/53/569072953.db2.gz VFCBDXGLZQGZBX-KRWDZBQOSA-N 1 0 416.591 3.468 50 0 HGAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4c[nH]c(=O)[nH]c4=O)C3)C2)cc1 ZINC000426517689 569073240 /nfs/dbraw/zinc/07/32/40/569073240.db2.gz XAUPJWVLLLAEQO-QHCPKHFHSA-N 1 0 410.518 3.140 50 0 HGAARO COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCCC[NH+](C)C)ccc32)cc1 ZINC000006623725 569075310 /nfs/dbraw/zinc/07/53/10/569075310.db2.gz BNYLAWCLPNCWKX-INIZCTEOSA-N 1 0 424.497 3.304 50 0 biogenic HGAARO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000006641827 569078131 /nfs/dbraw/zinc/07/81/31/569078131.db2.gz WTNJGYFYMAQZAK-LEOXJPRUSA-N 1 0 402.535 3.081 50 0 biogenic HGAARO CC[C@H](C)[C@@H]([NH2+]C[C@@H](O)COCC(C)C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000169680059 569126782 /nfs/dbraw/zinc/12/67/82/569126782.db2.gz IGQLYGXVUANRAH-ZSZQSSIHSA-N 1 0 405.495 3.176 50 0 HGAARO CCn1c(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc2sccc21 ZINC000006820804 569140221 /nfs/dbraw/zinc/14/02/21/569140221.db2.gz GZDXWDHUTXVHCJ-UHFFFAOYSA-N 1 0 416.591 3.177 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cccc(F)c2)CC1 ZINC000036344812 569142875 /nfs/dbraw/zinc/14/28/75/569142875.db2.gz RBDFOFPLWNCRDD-QFIPXVFZSA-N 1 0 424.520 3.150 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccccc2C)CC1 ZINC000036345704 569143371 /nfs/dbraw/zinc/14/33/71/569143371.db2.gz VVTJFMPDVHTMLS-HSZRJFAPSA-N 1 0 408.521 3.449 50 0 HGAARO Cc1c(C(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841172 569151877 /nfs/dbraw/zinc/15/18/77/569151877.db2.gz DIPQOZRJLVAZSV-GASCZTMLSA-N 1 0 416.591 3.486 50 0 HGAARO Cc1ccc2ncc(C(=O)NCc3ccccc3C[N@H+]3CCC[C@H](C)C3)c(=O)n2c1 ZINC000036390703 569165885 /nfs/dbraw/zinc/16/58/85/569165885.db2.gz UTQIJWVVCRVWJV-KRWDZBQOSA-N 1 0 404.514 3.165 50 0 HGAARO CCCC1N=NC(=S)N1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000036391249 569166343 /nfs/dbraw/zinc/16/63/43/569166343.db2.gz CAWLQCNYQPQYCC-MRXNPFEDSA-N 1 0 401.580 3.068 50 0 HGAARO CCc1cccc(-n2nnc(C(=O)NCC[NH+]3CCCCC3)c2-c2ccncc2)c1 ZINC000065083352 569172891 /nfs/dbraw/zinc/17/28/91/569172891.db2.gz MZMRDJDSRWUVHZ-UHFFFAOYSA-N 1 0 404.518 3.107 50 0 HGAARO Cn1c(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nnc1-c1ccc(F)cc1 ZINC000006913791 569179852 /nfs/dbraw/zinc/17/98/52/569179852.db2.gz FTEKEPWAIVCDQM-SFHVURJKSA-N 1 0 413.522 3.132 50 0 HGAARO CC(=O)Nc1cc2nc(C)ccc2c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000065135939 569184062 /nfs/dbraw/zinc/18/40/62/569184062.db2.gz HXJQGWNCIYSNRK-UHFFFAOYSA-N 1 0 402.498 3.290 50 0 HGAARO C[NH+]1CCN(CCNC(=O)c2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)CC1 ZINC000065178273 569191834 /nfs/dbraw/zinc/19/18/34/569191834.db2.gz HMCCFVQFEQGQMI-UHFFFAOYSA-N 1 0 421.589 3.106 50 0 HGAARO COc1ccc(-c2cc3n(n2)CCCN(C(=O)CC[NH+]2CCCCC2)C3)cc1OC ZINC000065270127 569213895 /nfs/dbraw/zinc/21/38/95/569213895.db2.gz ZTNBPCXTCRRHHQ-UHFFFAOYSA-N 1 0 412.534 3.176 50 0 HGAARO CCCNc1cc(N2CCC(CCC(=O)NCC[NH+]3CCCCCC3)CC2)ncn1 ZINC000065274212 569214908 /nfs/dbraw/zinc/21/49/08/569214908.db2.gz LBBXZWZBYYAJBM-UHFFFAOYSA-N 1 0 416.614 3.287 50 0 HGAARO CC1CC[NH+](CCCNC(=O)[C@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000065272963 569215936 /nfs/dbraw/zinc/21/59/36/569215936.db2.gz JFDMEMATRYOBNZ-SFHVURJKSA-N 1 0 417.619 3.327 50 0 HGAARO O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000065330760 569225108 /nfs/dbraw/zinc/22/51/08/569225108.db2.gz IYZBWSXRVDZUCY-KRWDZBQOSA-N 1 0 401.580 3.290 50 0 HGAARO C[NH+](C)C[C@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)[C@H](O)c1ccccc1 ZINC000065479319 569231661 /nfs/dbraw/zinc/23/16/61/569231661.db2.gz BPDDWYHHXDCHAE-MGPUTAFESA-N 1 0 419.909 3.144 50 0 HGAARO CCN(C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC000065532766 569234515 /nfs/dbraw/zinc/23/45/15/569234515.db2.gz NUZRRQVYMGLDOS-UHFFFAOYSA-N 1 0 419.447 3.238 50 0 HGAARO CC(C)[C@@H](CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000065538583 569234597 /nfs/dbraw/zinc/23/45/97/569234597.db2.gz VGTBERZBTPZUQR-CRAIPNDOSA-N 1 0 411.388 3.161 50 0 HGAARO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](C[C@@H]4CCCCO4)CC3)CC2)nc1 ZINC000239611809 569235710 /nfs/dbraw/zinc/23/57/10/569235710.db2.gz FEUBOZMNKVHPDJ-IBGZPJMESA-N 1 0 412.500 3.256 50 0 HGAARO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](C[C@H]4CCCCO4)CC3)CC2)nc1 ZINC000239611812 569235715 /nfs/dbraw/zinc/23/57/15/569235715.db2.gz FEUBOZMNKVHPDJ-LJQANCHMSA-N 1 0 412.500 3.256 50 0 HGAARO Cc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1NC(=O)c1ccc(Br)cc1 ZINC000170591081 569240630 /nfs/dbraw/zinc/24/06/30/569240630.db2.gz WUCWGFLKQNDFPJ-KRWDZBQOSA-N 1 0 416.319 3.492 50 0 HGAARO O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613441 569246881 /nfs/dbraw/zinc/24/68/81/569246881.db2.gz SOZSZWOEIJUELM-JTSKRJEESA-N 1 0 424.541 3.431 50 0 HGAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000017012294 569271476 /nfs/dbraw/zinc/27/14/76/569271476.db2.gz JMSXKTSPWREUQQ-UHFFFAOYSA-N 1 0 419.451 3.366 50 0 HGAARO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](CC4CCOCC4)CC3)CC2)n1 ZINC000252482577 569289052 /nfs/dbraw/zinc/28/90/52/569289052.db2.gz DJOSCGZCHJQZRG-UHFFFAOYSA-N 1 0 412.500 3.113 50 0 HGAARO C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252570426 569294344 /nfs/dbraw/zinc/29/43/44/569294344.db2.gz WSQBRNLMPJFREI-SESVDKBCSA-N 1 0 412.534 3.243 50 0 HGAARO COCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000037560721 569307117 /nfs/dbraw/zinc/30/71/17/569307117.db2.gz ICNIABCHMLEMCI-UHFFFAOYSA-N 1 0 416.493 3.487 50 0 HGAARO CC[NH+]1CCC(NC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)CC1 ZINC000007776956 569308484 /nfs/dbraw/zinc/30/84/84/569308484.db2.gz SPESQIKWYYEEEB-UHFFFAOYSA-N 1 0 415.559 3.318 50 0 HGAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000002256652 569326433 /nfs/dbraw/zinc/32/64/33/569326433.db2.gz MTAAAWKMCRBLHN-UHFFFAOYSA-N 1 0 417.506 3.422 50 0 HGAARO O=C(CCCCCn1cnc2ccccc2c1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253398929 569365558 /nfs/dbraw/zinc/36/55/58/569365558.db2.gz CKMXGZXGFLDYIH-SIKLNZKXSA-N 1 0 410.562 3.338 50 0 biogenic HGAARO COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000002419917 569397710 /nfs/dbraw/zinc/39/77/10/569397710.db2.gz HSTJUTBDQNQWLE-HXUWFJFHSA-N 1 0 422.481 3.307 50 0 HGAARO COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000002439943 569400223 /nfs/dbraw/zinc/40/02/23/569400223.db2.gz QMTZAOHVZIBENM-OAQYLSRUSA-N 1 0 422.481 3.307 50 0 HGAARO COc1cc(CC[C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)ccc1O ZINC000012661120 569402623 /nfs/dbraw/zinc/40/26/23/569402623.db2.gz YFGLNZHQZLOTLC-IRXDYDNUSA-N 1 0 415.486 3.051 50 0 biogenic HGAARO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013040383 569407959 /nfs/dbraw/zinc/40/79/59/569407959.db2.gz AIHXSZXTMAGJLH-SFHVURJKSA-N 1 0 415.559 3.239 50 0 HGAARO O=C(CCc1nc2cc(Br)cnc2[nH]1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079191713 569429276 /nfs/dbraw/zinc/42/92/76/569429276.db2.gz HDCXFIQASNQSDD-XJKSGUPXSA-N 1 0 420.355 3.034 50 0 biogenic HGAARO O=C(COc1ccc(N2CCCC2=O)cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000040012828 571138380 /nfs/dbraw/zinc/13/83/80/571138380.db2.gz XXOKUQFLRVDKGJ-JOCHJYFZSA-N 1 0 407.514 3.146 50 0 HGAARO CSc1ccccc1NC(=O)CC[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000040033478 571141095 /nfs/dbraw/zinc/14/10/95/571141095.db2.gz QKJUTZSYVYCJGA-UHFFFAOYSA-N 1 0 409.559 3.203 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)C1 ZINC000040112284 571170439 /nfs/dbraw/zinc/17/04/39/571170439.db2.gz WPWYFCUHQSGAIX-DENIHFKCSA-N 1 0 407.562 3.241 50 0 HGAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3csc(-c4cccs4)n3)cn2)CC1 ZINC000040121468 571177504 /nfs/dbraw/zinc/17/75/04/571177504.db2.gz ANSUKODGFVUBLP-UHFFFAOYSA-N 1 0 413.572 3.339 50 0 HGAARO Cc1cccc(NC(=O)C2CC[NH+]([C@H](C)C(=O)N3CCc4sccc4C3)CC2)n1 ZINC000040154616 571201709 /nfs/dbraw/zinc/20/17/09/571201709.db2.gz OAWLGOGNLHBUAS-MRXNPFEDSA-N 1 0 412.559 3.075 50 0 HGAARO CN1CC(=O)Nc2cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)ccc21 ZINC000040155388 571202747 /nfs/dbraw/zinc/20/27/47/571202747.db2.gz WPWNGQJAVFFRCY-FQEVSTJZSA-N 1 0 412.921 3.295 50 0 HGAARO FC(F)(F)c1cccc(N2CCN(C3CC[NH+]([C@H]4CCSC4)CC3)CC2)n1 ZINC000245093423 571213242 /nfs/dbraw/zinc/21/32/42/571213242.db2.gz RMYDTXNFBGDQSL-INIZCTEOSA-N 1 0 400.514 3.192 50 0 HGAARO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000245326905 571224962 /nfs/dbraw/zinc/22/49/62/571224962.db2.gz HBNKXLQEHLNBGD-IERDGZPVSA-N 1 0 415.534 3.473 50 0 HGAARO C[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245330415 571225473 /nfs/dbraw/zinc/22/54/73/571225473.db2.gz YJMIRHVDCFQELY-LAUBAEHRSA-N 1 0 414.571 3.346 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)Cc1ccccc1 ZINC000069491405 571228462 /nfs/dbraw/zinc/22/84/62/571228462.db2.gz FSIIREQSOCKLCF-NHCUHLMSSA-N 1 0 401.595 3.483 50 0 HGAARO CC(C)NC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000069817101 571245686 /nfs/dbraw/zinc/24/56/86/571245686.db2.gz DBZTVXLQVMWMEM-NRFANRHFSA-N 1 0 400.567 3.360 50 0 HGAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000069929035 571250142 /nfs/dbraw/zinc/25/01/42/571250142.db2.gz QFUNEIXGZALZOI-RXVVDRJESA-N 1 0 404.518 3.072 50 0 HGAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000009376928 571252898 /nfs/dbraw/zinc/25/28/98/571252898.db2.gz JQCPHSYUSSSQRE-UHFFFAOYSA-N 1 0 419.591 3.145 50 0 HGAARO COc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)c(OC)c1 ZINC000010333581 571300725 /nfs/dbraw/zinc/30/07/25/571300725.db2.gz SLFYQQYHFCJSMZ-OAQYLSRUSA-N 1 0 421.497 3.215 50 0 HGAARO CC(=O)N1CCc2cc([C@@H](O)C[NH+]3CCN(c4cc(Cl)ccc4C)CC3)ccc21 ZINC000020287256 571314588 /nfs/dbraw/zinc/31/45/88/571314588.db2.gz FRRHGAGXDMRXQG-QHCPKHFHSA-N 1 0 413.949 3.413 50 0 HGAARO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[N@@H+](C[C@H](C)O)C3CCCCC3)nc(=O)c12 ZINC000036207445 571317315 /nfs/dbraw/zinc/31/73/15/571317315.db2.gz UHFGGSAJTUXJRS-ZDUSSCGKSA-N 1 0 421.563 3.374 50 0 HGAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2)CC1 ZINC000006287897 132310122 /nfs/dbraw/zinc/31/01/22/132310122.db2.gz VDGFNQKZLFBISB-UHFFFAOYSA-N 1 0 421.282 3.295 50 0 HGAARO C[C@@H]1CN(C(=O)CCC(=O)NCCC[N@H+](C)Cc2ccccc2)c2ccccc2O1 ZINC000006798317 132317247 /nfs/dbraw/zinc/31/72/47/132317247.db2.gz BLVYWJDVOUPWFM-LJQANCHMSA-N 1 0 409.530 3.219 50 0 HGAARO COc1ccc([C@@H](CNC(=O)N2CCN(c3ccccc3O)CC2)[NH+]2CCCC2)cc1 ZINC000008160278 132328094 /nfs/dbraw/zinc/32/80/94/132328094.db2.gz DLWJYTBHZSUCGK-JOCHJYFZSA-N 1 0 424.545 3.070 50 0 HGAARO O=C(c1ccc(N2CCC([NH2+]Cc3ccc(F)cc3F)CC2)cc1)N1CCOCC1 ZINC000012184057 132356138 /nfs/dbraw/zinc/35/61/38/132356138.db2.gz FEEVUVSVBZHNQA-UHFFFAOYSA-N 1 0 415.484 3.196 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000035397955 132801475 /nfs/dbraw/zinc/80/14/75/132801475.db2.gz WMVILZCNJUFJOE-NRFANRHFSA-N 1 0 407.562 3.352 50 0 HGAARO CC(C)(C)OC(=O)N1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000032747793 518799063 /nfs/dbraw/zinc/79/90/63/518799063.db2.gz WATUGZFXZFHNMM-UHFFFAOYSA-N 1 0 401.551 3.414 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 ZINC000031984574 520864295 /nfs/dbraw/zinc/86/42/95/520864295.db2.gz VBHHOOQOVGGJLV-SJLPKXTDSA-N 1 0 403.548 3.393 50 0 HGAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000032915225 521680731 /nfs/dbraw/zinc/68/07/31/521680731.db2.gz FWTTXOFXAZBCGQ-UHFFFAOYSA-N 1 0 409.534 3.088 50 0 HGAARO CC[NH+]1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1 ZINC000020600100 521686824 /nfs/dbraw/zinc/68/68/24/521686824.db2.gz HEMQWVVFKAWREE-UHFFFAOYSA-N 1 0 419.573 3.095 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000032905792 522079485 /nfs/dbraw/zinc/07/94/85/522079485.db2.gz QMSKBUFPPKUFPX-GOSISDBHSA-N 1 0 410.449 3.020 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1I)Cc1ccccc1 ZINC000042671967 522084785 /nfs/dbraw/zinc/08/47/85/522084785.db2.gz XATXJZVIYHNBSR-HNNXBMFYSA-N 1 0 408.283 3.194 50 0 HGAARO CC[C@@H](CNC(=O)COc1ccc(C(C)=O)cc1OC)[N@@H+]1CCc2ccccc2C1 ZINC000032446209 522530017 /nfs/dbraw/zinc/53/00/17/522530017.db2.gz KOYDGEPONYNAKK-NRFANRHFSA-N 1 0 410.514 3.230 50 0 HGAARO C[NH+]1CCC2(CC1)C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1O2 ZINC000031583884 523786232 /nfs/dbraw/zinc/78/62/32/523786232.db2.gz CUHSGSVEGZSJIS-QGZVFWFLSA-N 1 0 408.470 3.231 50 0 HGAARO COCC[NH+]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)CC1 ZINC000020535840 523856930 /nfs/dbraw/zinc/85/69/30/523856930.db2.gz ARABKLKCTWKKPU-UHFFFAOYSA-N 1 0 424.520 3.451 50 0 HGAARO CN(C(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000040355604 523963296 /nfs/dbraw/zinc/96/32/96/523963296.db2.gz JUSBKXIBLQRWLJ-CYBMUJFWSA-N 1 0 412.437 3.190 50 0 HGAARO COc1ccc(CN2CC[N@H+](Cc3cccc4cnccc43)C[C@@H]2CCO)c(F)c1 ZINC000020599455 524032999 /nfs/dbraw/zinc/03/29/99/524032999.db2.gz NTAUDUIGGWPOHJ-NRFANRHFSA-N 1 0 409.505 3.451 50 0 HGAARO COc1cccc([C@@H](CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[NH+](C)C)c1 ZINC000041950322 524096568 /nfs/dbraw/zinc/09/65/68/524096568.db2.gz LFQWHDCOMMFZTH-IEBWSBKVSA-N 1 0 405.539 3.061 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2ccccc2I)[NH+](C)C)cc1 ZINC000032960896 525187327 /nfs/dbraw/zinc/18/73/27/525187327.db2.gz JIOSFFWLMJHMTF-QGZVFWFLSA-N 1 0 424.282 3.333 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2ccccc2I)[NH+](C)C)cc1 ZINC000032960897 525359257 /nfs/dbraw/zinc/35/92/57/525359257.db2.gz JIOSFFWLMJHMTF-KRWDZBQOSA-N 1 0 424.282 3.333 50 0 HGAARO O=C(CCN(C(=O)c1ccc(Br)cc1)C1CCCCC1)N1CC[NH2+]CC1 ZINC000045966817 526473993 /nfs/dbraw/zinc/47/39/93/526473993.db2.gz MYWMWKBWPPTARD-UHFFFAOYSA-N 1 0 422.367 3.046 50 0 HGAARO O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NCCC[NH+]1CCCC1 ZINC000032579029 526945357 /nfs/dbraw/zinc/94/53/57/526945357.db2.gz MEAFQYXBLFVMLM-UHFFFAOYSA-N 1 0 406.486 3.385 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000032074645 527531698 /nfs/dbraw/zinc/53/16/98/527531698.db2.gz ZQIMOHWIJKBCEN-SFHVURJKSA-N 1 0 411.933 3.474 50 0 HGAARO CCC[NH+]1CCN(c2ccc(C(=O)N(C)Cc3ccc4ccccc4n3)cn2)CC1 ZINC000012430938 534932991 /nfs/dbraw/zinc/93/29/91/534932991.db2.gz WFASGUPJCMFXKU-UHFFFAOYSA-N 1 0 403.530 3.434 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2OC)C1=O ZINC000002198097 535548691 /nfs/dbraw/zinc/54/86/91/535548691.db2.gz QGBBVLJFUAZDFP-PBEQFFAXSA-N 1 0 405.498 3.297 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)Oc2ccccc21 ZINC000004932648 535599941 /nfs/dbraw/zinc/59/99/41/535599941.db2.gz ADIQCXUDMWODBV-KWJZBXMYSA-N 1 0 423.488 3.193 50 0 HGAARO COc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012754056 537080729 /nfs/dbraw/zinc/08/07/29/537080729.db2.gz LNMVMJBBWGANPZ-UHFFFAOYSA-N 1 0 408.424 3.260 50 0 HGAARO COc1ccccc1[C@@H]1[C@@H](C(=O)NCC[NH+](C)C)CCC(=O)N1c1ccc(C)cc1 ZINC000007987383 537105358 /nfs/dbraw/zinc/10/53/58/537105358.db2.gz NNDOECCHAVBTMV-NZQKXSOJSA-N 1 0 409.530 3.166 50 0 HGAARO COCCN(C[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740551 557444097 /nfs/dbraw/zinc/44/40/97/557444097.db2.gz BFMVLCFRMIGXQR-WIYYLYMNSA-N 1 0 420.550 3.224 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(Cc2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000034911203 557476124 /nfs/dbraw/zinc/47/61/24/557476124.db2.gz RMMQUTNJAVFGGR-OAQYLSRUSA-N 1 0 403.530 3.381 50 0 HGAARO CCCC(=O)N(CC[NH+](C)C)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034921472 557483835 /nfs/dbraw/zinc/48/38/35/557483835.db2.gz ZDAYOZRFMJYEKR-UHFFFAOYSA-N 1 0 422.522 3.284 50 0 HGAARO CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCCCC1 ZINC000004918156 557614282 /nfs/dbraw/zinc/61/42/82/557614282.db2.gz DBKIVAXXPXBDSK-KRWDZBQOSA-N 1 0 416.591 3.279 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNc1nc2ccc(C(=O)c3ccccc3)cc2n2cnnc12 ZINC000006901589 557729440 /nfs/dbraw/zinc/72/94/40/557729440.db2.gz RAIQMLXIGJSBSR-SFHVURJKSA-N 1 0 400.486 3.405 50 0 HGAARO CCOC(=O)C1CC[NH+]([C@H](c2cccs2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697540 557784245 /nfs/dbraw/zinc/78/42/45/557784245.db2.gz ZCIUTGBITYEVIZ-LJQANCHMSA-N 1 0 404.532 3.308 50 0 HGAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1Br ZINC000022915980 558259463 /nfs/dbraw/zinc/25/94/63/558259463.db2.gz CXDZJQYFDDJJMV-UHFFFAOYSA-N 1 0 402.336 3.248 50 0 HGAARO Cc1occc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000011817417 558280702 /nfs/dbraw/zinc/28/07/02/558280702.db2.gz USDHZMJNAMCBAN-FQEVSTJZSA-N 1 0 409.530 3.221 50 0 HGAARO O=C(c1cn(Cc2cccc3ccccc32)nn1)N1CCC([NH+]2CCSCC2)CC1 ZINC000011840407 558286600 /nfs/dbraw/zinc/28/66/00/558286600.db2.gz OOCGXDXJPYASKO-UHFFFAOYSA-N 1 0 421.570 3.133 50 0 HGAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2cccc(OC)c2)cc1 ZINC000011868366 558290023 /nfs/dbraw/zinc/29/00/23/558290023.db2.gz HBDMLMXZAHGFEK-NRFANRHFSA-N 1 0 410.514 3.195 50 0 HGAARO Cc1cc(=O)c(C(=O)N2CCC[C@@H](C)C2)c(CCc2ccccc2)n1CC[NH+](C)C ZINC000011881294 558295087 /nfs/dbraw/zinc/29/50/87/558295087.db2.gz NTUQTLPJWBJFSC-LJQANCHMSA-N 1 0 409.574 3.376 50 0 HGAARO COc1cc(NC(=O)CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc(OC)c1 ZINC000019851862 558295629 /nfs/dbraw/zinc/29/56/29/558295629.db2.gz FLPHHNNAGWDYKV-RMKNXTFCSA-N 1 0 409.530 3.363 50 0 HGAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C3CSCCSC3)CC2)c1 ZINC000011934816 558298873 /nfs/dbraw/zinc/29/88/73/558298873.db2.gz ZCMYQVWEXVMSDU-UHFFFAOYSA-N 1 0 422.616 3.279 50 0 HGAARO COc1cc(OC)nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019892471 558303457 /nfs/dbraw/zinc/30/34/57/558303457.db2.gz NNZCWDCQQVOUFL-UHFFFAOYSA-N 1 0 404.514 3.401 50 0 HGAARO COCC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccc(OC)c4ccccc34)CC2)O1 ZINC000011997460 558307289 /nfs/dbraw/zinc/30/72/89/558307289.db2.gz AVBYHLJLEBQLIN-IBGZPJMESA-N 1 0 412.530 3.125 50 0 HGAARO CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012034716 558311687 /nfs/dbraw/zinc/31/16/87/558311687.db2.gz IHLVIRNPCJHOPQ-INIZCTEOSA-N 1 0 424.574 3.293 50 0 HGAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2[C@H](C)CCCC(C)(C)O)cc1 ZINC000012185588 558344895 /nfs/dbraw/zinc/34/48/95/558344895.db2.gz HTXXBHYBANHZCM-YLJYHZDGSA-N 1 0 404.551 3.274 50 0 HGAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C ZINC000012186137 558345538 /nfs/dbraw/zinc/34/55/38/558345538.db2.gz GGJDEOOPSXSIJB-UHFFFAOYSA-N 1 0 422.533 3.060 50 0 HGAARO CC[NH+]1CCN(CCOCCOc2c(C)cc(Br)cc2Cl)CC1 ZINC000020406247 558360214 /nfs/dbraw/zinc/36/02/14/558360214.db2.gz JYRFYQLLYDBJJH-UHFFFAOYSA-N 1 0 405.764 3.444 50 0 HGAARO Cc1ccccc1C[N@H+]1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000020454109 558368042 /nfs/dbraw/zinc/36/80/42/558368042.db2.gz MICGVKJMPMJJPE-FQEVSTJZSA-N 1 0 417.557 3.455 50 0 HGAARO CC[NH+](CC)C[C@H](O)COc1ccc(CNCc2cccc(F)c2F)cc1OC ZINC000012298679 558368683 /nfs/dbraw/zinc/36/86/83/558368683.db2.gz FFMNQJASIBCFAZ-SFHVURJKSA-N 1 0 408.489 3.345 50 0 HGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN(C)Cc3cccnc3)C2)cc1 ZINC000012298762 558368735 /nfs/dbraw/zinc/36/87/35/558368735.db2.gz QYLDHOQFEWOSEW-XMMPIXPASA-N 1 0 408.590 3.493 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@@H](C)CCSC)CC1 ZINC000012299979 558369822 /nfs/dbraw/zinc/36/98/22/558369822.db2.gz DHAJBVZBDUQFTE-INIZCTEOSA-N 1 0 410.580 3.056 50 0 HGAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cnn(C)c3C)CC2)c1 ZINC000012303150 558372951 /nfs/dbraw/zinc/37/29/51/558372951.db2.gz AIRHAEMXKNGSIG-UHFFFAOYSA-N 1 0 412.534 3.017 50 0 HGAARO Cc1nonc1CN(C)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012318759 558381504 /nfs/dbraw/zinc/38/15/04/558381504.db2.gz WOSMFVVGKIAPPZ-UHFFFAOYSA-N 1 0 421.501 3.089 50 0 HGAARO CCc1ccccc1N1C(=O)c2ccccc2/C(=C\NCCC[NH+]2CCOCC2)C1=O ZINC000020518420 558383347 /nfs/dbraw/zinc/38/33/47/558383347.db2.gz ZLITXVLMPPFNAO-RELWKKBWSA-N 1 0 419.525 3.089 50 0 HGAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cnccn2)CC1 ZINC000012385901 558394697 /nfs/dbraw/zinc/39/46/97/558394697.db2.gz GMFQNXZSQBWAEZ-QFIPXVFZSA-N 1 0 408.546 3.318 50 0 HGAARO O=C(CC[C@H]1CCC[N@H+](CCCn2cccn2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012386038 558394737 /nfs/dbraw/zinc/39/47/37/558394737.db2.gz OVGYMZPLVPTRBU-XMMPIXPASA-N 1 0 423.605 3.110 50 0 HGAARO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH2+]CCCn1ccnc1 ZINC000012432961 558407128 /nfs/dbraw/zinc/40/71/28/558407128.db2.gz VIQHZTMTYRFZKM-UHFFFAOYSA-N 1 0 422.558 3.087 50 0 HGAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccnn2C)CC1 ZINC000012433076 558407217 /nfs/dbraw/zinc/40/72/17/558407217.db2.gz DBWIWENEUZQKBK-QFIPXVFZSA-N 1 0 410.562 3.262 50 0 HGAARO CC(C)Cc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)cc1 ZINC000020783683 558413202 /nfs/dbraw/zinc/41/32/02/558413202.db2.gz PGEAUSGMELZTFN-UHFFFAOYSA-N 1 0 417.557 3.465 50 0 HGAARO COc1ccc(OC)c(N2C(=O)[C@@H]3C[C@H]2CN3C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000012513282 558424337 /nfs/dbraw/zinc/42/43/37/558424337.db2.gz VQQOVRGZEUZGDH-REWPJTCUSA-N 1 0 421.541 3.158 50 0 HGAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)CCCc2cccs2)CC1 ZINC000012573611 558430041 /nfs/dbraw/zinc/43/00/41/558430041.db2.gz ZTFKWGDZHMNZTK-HXUWFJFHSA-N 1 0 408.608 3.437 50 0 HGAARO CCN(Cc1cnn(C)c1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012576892 558431284 /nfs/dbraw/zinc/43/12/84/558431284.db2.gz XZFAXBGQDITLNB-QHCPKHFHSA-N 1 0 414.594 3.446 50 0 HGAARO Cc1nn(C)cc1CN(C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012583302 558433416 /nfs/dbraw/zinc/43/34/16/558433416.db2.gz HHKZLKKJFGKLDV-QHCPKHFHSA-N 1 0 414.594 3.365 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000012586609 558434125 /nfs/dbraw/zinc/43/41/25/558434125.db2.gz VYMCXSXHRXHQSJ-UHFFFAOYSA-N 1 0 418.559 3.485 50 0 HGAARO Cc1c(CNC(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)cnn1C ZINC000012701215 558447695 /nfs/dbraw/zinc/44/76/95/558447695.db2.gz OUPOEURPUOTBIB-UHFFFAOYSA-N 1 0 402.542 3.057 50 0 HGAARO C[NH+](C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2ccc(F)cc2s1 ZINC000004359173 558449271 /nfs/dbraw/zinc/44/92/71/558449271.db2.gz HSJSCVGBOPGMFX-QGZVFWFLSA-N 1 0 401.463 3.170 50 0 HGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000012789135 558464528 /nfs/dbraw/zinc/46/45/28/558464528.db2.gz XJVOGKMTXGPHAM-QHCPKHFHSA-N 1 0 411.509 3.484 50 0 HGAARO COc1ccccc1[C@@H](CNC(=O)c1cccc(N2CCCC2=O)c1)[NH+]1CCCC1 ZINC000022680279 558504238 /nfs/dbraw/zinc/50/42/38/558504238.db2.gz VYUZMRDGLPPQKP-OAQYLSRUSA-N 1 0 407.514 3.389 50 0 HGAARO COc1cccc([C@@H](CNC(=O)CCc2c(C)nc3cc(C)nn3c2C)[NH+](C)C)c1 ZINC000022683542 558504369 /nfs/dbraw/zinc/50/43/69/558504369.db2.gz BRDBKYHIYQNHQY-OAQYLSRUSA-N 1 0 409.534 3.015 50 0 HGAARO Cc1cccc(NC(=O)CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)c1C ZINC000022834914 558515847 /nfs/dbraw/zinc/51/58/47/558515847.db2.gz RTZIQHUJGLYDBL-UHFFFAOYSA-N 1 0 403.530 3.245 50 0 HGAARO Cc1ccccc1C[N@H+]1CCc2nnc([C@@H](NC(=O)c3ccoc3)C(C)C)n2CC1 ZINC000023129452 558536964 /nfs/dbraw/zinc/53/69/64/558536964.db2.gz VYVORLDWTSMXCF-NRFANRHFSA-N 1 0 407.518 3.365 50 0 HGAARO CC(C)N1C[C@H]([NH2+]CC2CCCCC2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000023339578 558550309 /nfs/dbraw/zinc/55/03/09/558550309.db2.gz XBYNNDNFGCZBPY-RTWAWAEBSA-N 1 0 415.578 3.095 50 0 HGAARO CCCn1cc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c(C)n1 ZINC000023358717 558551365 /nfs/dbraw/zinc/55/13/65/558551365.db2.gz GKQYUBUCWIZREF-QHCPKHFHSA-N 1 0 414.594 3.296 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3cc(CC(C)C)n[nH]3)C[C@@H]2CCO)c(C)c1C ZINC000023373519 558553577 /nfs/dbraw/zinc/55/35/77/558553577.db2.gz WLKIKMBLCSUMDZ-QHCPKHFHSA-N 1 0 414.594 3.302 50 0 HGAARO O=C1CC[C@H]([NH+]2CCN(Cc3cccs3)CC2)CCN1CCOc1ccccc1 ZINC000023373946 558554142 /nfs/dbraw/zinc/55/41/42/558554142.db2.gz WDYVXOZPXHQMLE-FQEVSTJZSA-N 1 0 413.587 3.326 50 0 HGAARO CCCCn1c(CN2CC[C@@H]([NH+](CC)CC)C2)cnc1S(=O)(=O)CC1CCC1 ZINC000023374593 558554183 /nfs/dbraw/zinc/55/41/83/558554183.db2.gz QHPKQQRYIMQRJY-LJQANCHMSA-N 1 0 410.628 3.173 50 0 HGAARO COC(=O)c1cn(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c2ccccc12 ZINC000023739807 558572785 /nfs/dbraw/zinc/57/27/85/558572785.db2.gz IAVGUXBJHQTTKX-QFIPXVFZSA-N 1 0 405.498 3.381 50 0 HGAARO O=C(CCn1c(=O)oc2ccccc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023866800 558578614 /nfs/dbraw/zinc/57/86/14/558578614.db2.gz DLSOXBYPIAJHPS-UHFFFAOYSA-N 1 0 415.493 3.482 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2cccc(CN3CCCC3=O)c2)[NH+]2CCCC2)cc1 ZINC000014138966 558624606 /nfs/dbraw/zinc/62/46/06/558624606.db2.gz FYIMCJWQARAJPF-HSZRJFAPSA-N 1 0 421.541 3.385 50 0 HGAARO CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000014532616 558656683 /nfs/dbraw/zinc/65/66/83/558656683.db2.gz QNBOYDKRSFWPRL-WEVVVXLNSA-N 1 0 418.541 3.456 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1ccc(F)cc1F)CC2 ZINC000014541698 558660316 /nfs/dbraw/zinc/66/03/16/558660316.db2.gz AQORBUAPRGGQBY-MRXNPFEDSA-N 1 0 414.456 3.211 50 0 HGAARO CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCC1=CCCCC1)C2 ZINC000014749420 558670439 /nfs/dbraw/zinc/67/04/39/558670439.db2.gz KEUQOTWVPLAVCU-LJQANCHMSA-N 1 0 400.567 3.103 50 0 HGAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]CCc1cccs1)CC2 ZINC000014753456 558671269 /nfs/dbraw/zinc/67/12/69/558671269.db2.gz PXWQUYKRINTZPZ-GOSISDBHSA-N 1 0 408.571 3.384 50 0 HGAARO CC(C)N1C[C@H](OCc2ccc(F)cc2)CN(C2CC[NH+](C(C)C)CC2)CC1=O ZINC000014753156 558671389 /nfs/dbraw/zinc/67/13/89/558671389.db2.gz OIJPHFDKKBJJRI-JOCHJYFZSA-N 1 0 405.558 3.136 50 0 HGAARO CC1CC[NH+]([C@@H](CNC(=O)CCn2cnc3ccccc3c2=O)c2cccs2)CC1 ZINC000027574896 558675587 /nfs/dbraw/zinc/67/55/87/558675587.db2.gz WKFUDRNZGGTMMH-FQEVSTJZSA-N 1 0 424.570 3.438 50 0 HGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000014960639 558683829 /nfs/dbraw/zinc/68/38/29/558683829.db2.gz REAILMZJOYCTSJ-MRXNPFEDSA-N 1 0 402.589 3.371 50 0 HGAARO Cc1nn(C)c(C)c1C[NH2+]Cc1cc2ccc(F)cc2n(Cc2ccccn2)c1=O ZINC000014977938 558690030 /nfs/dbraw/zinc/69/00/30/558690030.db2.gz UCLYLGOZIHOVGK-UHFFFAOYSA-N 1 0 405.477 3.224 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2nc(SC)ncc2Cl)[NH+]2CCCC2)cc1 ZINC000028289260 558696058 /nfs/dbraw/zinc/69/60/58/558696058.db2.gz MXIVWIAQVXREAL-MRXNPFEDSA-N 1 0 406.939 3.427 50 0 HGAARO Cc1ccc([C@@H](CNC(=O)c2nn(-c3ccc(C)c(C)c3)ccc2=O)[NH+](C)C)cc1 ZINC000028292775 558698297 /nfs/dbraw/zinc/69/82/97/558698297.db2.gz LJYHHWDNSHUPMP-OAQYLSRUSA-N 1 0 404.514 3.190 50 0 HGAARO Cn1cc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)NC5CCCC5)cc4c3)CC2)cn1 ZINC000015006243 558699126 /nfs/dbraw/zinc/69/91/26/558699126.db2.gz MGIPIFGFXIBVSC-UHFFFAOYSA-N 1 0 422.529 3.322 50 0 HGAARO Cc1ccc(Cc2cnc(NC(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)s2)cc1 ZINC000072274560 558699801 /nfs/dbraw/zinc/69/98/01/558699801.db2.gz DQVNGNMPENKOCZ-KRWDZBQOSA-N 1 0 401.580 3.047 50 0 HGAARO CCOC(=O)c1n[nH]cc1CN(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000015068423 558710843 /nfs/dbraw/zinc/71/08/43/558710843.db2.gz DDHNDMAHQBZSKF-NRFANRHFSA-N 1 0 418.582 3.222 50 0 HGAARO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3S(C)(=O)=O)cc2)CC1 ZINC000029358663 558714161 /nfs/dbraw/zinc/71/41/61/558714161.db2.gz WEVXIKYEDCIWEY-UHFFFAOYSA-N 1 0 400.544 3.252 50 0 HGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(COc3ccc(C(C)=O)cc3OC)on2)C1 ZINC000015074337 558715114 /nfs/dbraw/zinc/71/51/14/558715114.db2.gz DLWTVJRJODAZCF-QGZVFWFLSA-N 1 0 415.490 3.021 50 0 HGAARO O=C(CCc1cnccn1)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000015077347 558717188 /nfs/dbraw/zinc/71/71/88/558717188.db2.gz NFJWDBDWVHJKKG-JOCHJYFZSA-N 1 0 400.567 3.071 50 0 HGAARO COc1ccc([C@H](CNC(=O)[C@H]2CCCN(c3cnccn3)C2)[NH+]2CCCCC2)cc1 ZINC000029755196 558720164 /nfs/dbraw/zinc/72/01/64/558720164.db2.gz VTVSUERNAKSQLN-UNMCSNQZSA-N 1 0 423.561 3.045 50 0 HGAARO Cc1ncc(C(=O)NC2CC[NH+](CCOc3ccc(Br)cc3)CC2)s1 ZINC000072288921 558720979 /nfs/dbraw/zinc/72/09/79/558720979.db2.gz YRCHXXCZCAFCAH-UHFFFAOYSA-N 1 0 424.364 3.487 50 0 HGAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000029838250 558722058 /nfs/dbraw/zinc/72/20/58/558722058.db2.gz MRHBRWOVQMYAAB-IBGZPJMESA-N 1 0 411.933 3.258 50 0 HGAARO CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000015481070 558740977 /nfs/dbraw/zinc/74/09/77/558740977.db2.gz LZEWOXNBEDJCJU-GFCCVEGCSA-N 1 0 408.296 3.375 50 0 HGAARO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000030896134 558744275 /nfs/dbraw/zinc/74/42/75/558744275.db2.gz BSPNDCRFHOZFGH-UHFFFAOYSA-N 1 0 409.530 3.135 50 0 HGAARO O=C(NCCc1ccccc1)N1CC[C@@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000065266357 558745306 /nfs/dbraw/zinc/74/53/06/558745306.db2.gz LZUJCDYKDDWJNA-DEOSSOPVSA-N 1 0 418.545 3.466 50 0 HGAARO COc1ccccc1/C=C1\Oc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2NC1=O ZINC000032983697 558805327 /nfs/dbraw/zinc/80/53/27/558805327.db2.gz XDFDDOFCKSNVGZ-JWGURIENSA-N 1 0 421.497 3.283 50 0 HGAARO CCCCOc1ccc(C(=O)NCC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000033026548 558847935 /nfs/dbraw/zinc/84/79/35/558847935.db2.gz PRWLRZUBARTIDH-GOSISDBHSA-N 1 0 403.548 3.076 50 0 HGAARO Cc1cc2c3c(c1)C(C)CC(C)(C)N3C(=O)C21N=C(Nc2ccccc2)NC(=[NH2+])N1 ZINC000019326864 558868023 /nfs/dbraw/zinc/86/80/23/558868023.db2.gz GJBCCQHRICACIC-LFVRLGFBSA-N 1 0 402.502 3.166 50 0 HGAARO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2ccc(OCC)cc2)CC1 ZINC000004669446 558877164 /nfs/dbraw/zinc/87/71/64/558877164.db2.gz KPIDDAUZULAOES-UHFFFAOYSA-N 1 0 422.595 3.267 50 0 HGAARO COc1ccc(OCC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000055343823 558879711 /nfs/dbraw/zinc/87/97/11/558879711.db2.gz RLZOYMGDUSACEZ-NRFANRHFSA-N 1 0 423.557 3.196 50 0 HGAARO Cc1sc2nc(CCC(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)[nH]c(=O)c2c1C ZINC000058023505 558896090 /nfs/dbraw/zinc/89/60/90/558896090.db2.gz KYZISGOJBPEHSY-HUUCEWRRSA-N 1 0 418.607 3.408 50 0 HGAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3csc(Cc4ccccc4)n3)cn2)CC1 ZINC000058101213 558898899 /nfs/dbraw/zinc/89/88/99/558898899.db2.gz WVMASOCVFXUYHL-UHFFFAOYSA-N 1 0 421.570 3.201 50 0 HGAARO Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)n1 ZINC000071663082 558906411 /nfs/dbraw/zinc/90/64/11/558906411.db2.gz NRHMLMBVMRUSOF-JOCHJYFZSA-N 1 0 423.605 3.096 50 0 HGAARO O=C(CCc1ccccc1)NC1CC[NH+](CCCn2c(=O)oc3ccccc32)CC1 ZINC000058178525 558909867 /nfs/dbraw/zinc/90/98/67/558909867.db2.gz JQGBCLMMXPIRSH-UHFFFAOYSA-N 1 0 407.514 3.198 50 0 HGAARO CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000058316740 558919453 /nfs/dbraw/zinc/91/94/53/558919453.db2.gz YIIGAGAETZOJJK-ZWOKBUDYSA-N 1 0 406.546 3.030 50 0 HGAARO COCC[N@H+](C)C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000058364966 558922224 /nfs/dbraw/zinc/92/22/24/558922224.db2.gz HAQDVWBPEJDALO-GFCCVEGCSA-N 1 0 415.770 3.378 50 0 HGAARO O=C(c1ccc[nH]1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072174328 558930537 /nfs/dbraw/zinc/93/05/37/558930537.db2.gz IQPAZJTZORTLAO-SFHVURJKSA-N 1 0 406.452 3.460 50 0 HGAARO C[N@H+](CCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1)C1CCCCC1 ZINC000033060362 558954932 /nfs/dbraw/zinc/95/49/32/558954932.db2.gz VITFMMZZFHVOAQ-UHFFFAOYSA-N 1 0 421.954 3.438 50 0 HGAARO Cc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[NH+]3CCCCC3)s2)cc1 ZINC000033062055 558955890 /nfs/dbraw/zinc/95/58/90/558955890.db2.gz GOOBAAHMYXMHEP-UHFFFAOYSA-N 1 0 415.563 3.024 50 0 HGAARO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000064157680 558962221 /nfs/dbraw/zinc/96/22/21/558962221.db2.gz FDQPNBTYAQBEGU-UHFFFAOYSA-N 1 0 408.893 3.165 50 0 HGAARO Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064800055 558965785 /nfs/dbraw/zinc/96/57/85/558965785.db2.gz JHBBIKWXOMJUCG-UHFFFAOYSA-N 1 0 400.914 3.393 50 0 HGAARO Cc1sc2nc(CC[NH3+])nc(N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2c1C ZINC000065506377 558978230 /nfs/dbraw/zinc/97/82/30/558978230.db2.gz UTFUKNFORPAFNV-LBPRGKRZSA-N 1 0 404.561 3.386 50 0 HGAARO O=C(NCc1nc(-c2cccs2)no1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000067613667 558989384 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1 0 406.574 3.383 50 0 HGAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082100080 559038138 /nfs/dbraw/zinc/03/81/38/559038138.db2.gz TWJIYHPHJFSBFM-QHCPKHFHSA-N 1 0 406.574 3.117 50 0 HGAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3F)CC2)C1 ZINC000082120655 559039364 /nfs/dbraw/zinc/03/93/64/559039364.db2.gz FNUZXQOZMYEOFX-NRFANRHFSA-N 1 0 410.537 3.214 50 0 HGAARO Cc1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)o1 ZINC000082138664 559040718 /nfs/dbraw/zinc/04/07/18/559040718.db2.gz QWMCWVOJHYOFPB-NRFANRHFSA-N 1 0 410.562 3.318 50 0 HGAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082166725 559042026 /nfs/dbraw/zinc/04/20/26/559042026.db2.gz YFFBXGIVXPAUAC-HSZRJFAPSA-N 1 0 406.574 3.417 50 0 HGAARO CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000011423932 559075564 /nfs/dbraw/zinc/07/55/64/559075564.db2.gz SOFALZQDZPSYSC-UHFFFAOYSA-N 1 0 415.987 3.066 50 0 HGAARO Cc1cccc2nc(C(=O)N3C[C@@H](c4ccc(F)cc4)[C@@H]4[C@H]3C3CC[NH+]4CC3)cn21 ZINC000095500143 559082099 /nfs/dbraw/zinc/08/20/99/559082099.db2.gz QDEAVESCBUQGER-WWPVKYPJSA-N 1 0 404.489 3.484 50 0 HGAARO COc1ccc([C@@H]2CN(C(=O)c3cnn4ccccc34)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095524340 559085805 /nfs/dbraw/zinc/08/58/05/559085805.db2.gz CSBKFXDQAMXSOV-MDNUFGMLSA-N 1 0 402.498 3.045 50 0 HGAARO CC(C)OC(=O)N1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095528414 559086507 /nfs/dbraw/zinc/08/65/07/559086507.db2.gz GVLHFUKGWLVCSD-OAQYLSRUSA-N 1 0 401.551 3.414 50 0 HGAARO Cn1c(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc2c1c1ccccc1n(C)c2=O ZINC000004938751 559211633 /nfs/dbraw/zinc/21/16/33/559211633.db2.gz OHOYRZUOLABBDS-UHFFFAOYSA-N 1 0 416.525 3.282 50 0 HGAARO COC(CNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1)OC ZINC000005044161 559236343 /nfs/dbraw/zinc/23/63/43/559236343.db2.gz GKNYLLBJQZUALJ-INIZCTEOSA-N 1 0 421.925 3.251 50 0 HGAARO C[N@H+](C1CCCC1)C1CCN(C(=O)CNC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000005057801 559238123 /nfs/dbraw/zinc/23/81/23/559238123.db2.gz IYUBFBZARHCPQG-DHZHZOJOSA-N 1 0 403.954 3.335 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)C1 ZINC000005067728 559240295 /nfs/dbraw/zinc/24/02/95/559240295.db2.gz YRFJHTORJJBTTF-RTBURBONSA-N 1 0 413.562 3.182 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)N3CCC[C@H]([NH+](C)C)C3)csc2C1 ZINC000426506568 559274450 /nfs/dbraw/zinc/27/44/50/559274450.db2.gz GTNWLTUFHHXCOO-INIZCTEOSA-N 1 0 402.564 3.077 50 0 HGAARO C[NH+](C)CCNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000005207901 560538737 /nfs/dbraw/zinc/53/87/37/560538737.db2.gz PPHWTCBHCKVMSC-UHFFFAOYSA-N 1 0 402.709 3.148 50 0 HGAARO Cc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)cc1 ZINC000005254603 560552106 /nfs/dbraw/zinc/55/21/06/560552106.db2.gz IDMXDLRMEMYSAZ-UHFFFAOYSA-N 1 0 414.575 3.113 50 0 HGAARO CC(=O)NCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000046721051 560843731 /nfs/dbraw/zinc/84/37/31/560843731.db2.gz MNVVAZSBEGFOES-SFHVURJKSA-N 1 0 405.951 3.143 50 0 HGAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000106759075 560893712 /nfs/dbraw/zinc/89/37/12/560893712.db2.gz QFUNEIXGZALZOI-WIYYLYMNSA-N 1 0 404.518 3.072 50 0 HGAARO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000048235342 568432838 /nfs/dbraw/zinc/43/28/38/568432838.db2.gz ZRNZAWGGLVDCSL-LPHOPBHVSA-N 1 0 414.527 3.203 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccsc1 ZINC000048249075 568433395 /nfs/dbraw/zinc/43/33/95/568433395.db2.gz QQTZSUVRGRUIJQ-PXNSSMCTSA-N 1 0 417.550 3.087 50 0 HGAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(-c4ccccc4Cl)n[nH]3)cn2)CC1 ZINC000048290662 568435227 /nfs/dbraw/zinc/43/52/27/568435227.db2.gz WXINEMXNUAPVSJ-UHFFFAOYSA-N 1 0 424.936 3.197 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Cn3ncc4ccccc4c3=O)cc2)C1 ZINC000048310954 568436784 /nfs/dbraw/zinc/43/67/84/568436784.db2.gz OTZSDLLVQPVJTA-OALUTQOASA-N 1 0 418.541 3.191 50 0 HGAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCCc3nc4ccccc4[nH]3)cc2)CC1 ZINC000048324845 568438469 /nfs/dbraw/zinc/43/84/69/568438469.db2.gz XCTFYXCSPKGOOG-UHFFFAOYSA-N 1 0 419.573 3.340 50 0 HGAARO O=C(NC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC000048312554 568438977 /nfs/dbraw/zinc/43/89/77/568438977.db2.gz JDOKJBNDOMVHDV-OAQYLSRUSA-N 1 0 423.532 3.459 50 0 HGAARO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1C ZINC000049400761 568447670 /nfs/dbraw/zinc/44/76/70/568447670.db2.gz QYTBBSYZRUMMQF-UHFFFAOYSA-N 1 0 416.525 3.366 50 0 HGAARO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)C[NH+](C)C ZINC000049946136 568453589 /nfs/dbraw/zinc/45/35/89/568453589.db2.gz PMHZKBOQPBINQX-MRXNPFEDSA-N 1 0 402.366 3.452 50 0 HGAARO CCOC(=O)/C(=C/c1c(C)onc1-c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000214082673 568457051 /nfs/dbraw/zinc/45/70/51/568457051.db2.gz CKLFUIAYIPVGTP-DTQAZKPQSA-N 1 0 403.910 3.497 50 0 HGAARO CN(Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1)C[C@H]1CCC[N@@H+]1C 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1 0 400.519 3.483 50 0 HGAARO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000225828970 568678552 /nfs/dbraw/zinc/67/85/52/568678552.db2.gz HATUMPLKYZYMFC-MRXNPFEDSA-N 1 0 420.978 3.361 50 0 HGAARO C[C@@H]([NH2+]CCCOCc1ccco1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013616 568685403 /nfs/dbraw/zinc/68/54/03/568685403.db2.gz NOUXIHQKFFJZKE-WIYYLYMNSA-N 1 0 402.491 3.202 50 0 HGAARO C[C@H]([NH2+]CCCOCc1ccco1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013615 568685431 /nfs/dbraw/zinc/68/54/31/568685431.db2.gz NOUXIHQKFFJZKE-GHTZIAJQSA-N 1 0 402.491 3.202 50 0 HGAARO O=C(NCC[N@H+]1CCC[C@@H](O)C1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000012429253 568722090 /nfs/dbraw/zinc/72/20/90/568722090.db2.gz XWSLLGYHWQVGSW-GOSISDBHSA-N 1 0 413.905 3.259 50 0 HGAARO C/C=C/c1ccc(OC[C@H](O)C[NH2+]C[C@@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 ZINC000096311026 568724699 /nfs/dbraw/zinc/72/46/99/568724699.db2.gz YSQGJSKNXKXPMX-GYBAZJMSSA-N 1 0 414.546 3.369 50 0 HGAARO Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000096357174 568738622 /nfs/dbraw/zinc/73/86/22/568738622.db2.gz NLXJWYGLPIOLKC-UHFFFAOYSA-N 1 0 416.591 3.437 50 0 HGAARO Cc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)n2)cc1 ZINC000018948042 568743826 /nfs/dbraw/zinc/74/38/26/568743826.db2.gz YJBISQNJRFUQCL-UHFFFAOYSA-N 1 0 405.502 3.368 50 0 HGAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000096398417 568747202 /nfs/dbraw/zinc/74/72/02/568747202.db2.gz SFQBNPKTRYRLAE-GOSISDBHSA-N 1 0 417.619 3.423 50 0 HGAARO C[NH+]1CCN([C@@H](CNC(=O)Nc2ccc(Cl)cc2)c2ccc3c(c2)OCO3)CC1 ZINC000022577223 568770170 /nfs/dbraw/zinc/77/01/70/568770170.db2.gz UAEOGHCOSFQSMR-SFHVURJKSA-N 1 0 416.909 3.179 50 0 HGAARO COc1ccc(-c2n[nH]cc2C(=O)N(C)C[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000299754483 568782237 /nfs/dbraw/zinc/78/22/37/568782237.db2.gz WCNHTZWYBUIBRT-IEBWSBKVSA-N 1 0 412.534 3.430 50 0 biogenic HGAARO O=C(NCCC[NH+]1CCCC1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000003053787 568851660 /nfs/dbraw/zinc/85/16/60/568851660.db2.gz RARJFVLJHLFFCG-UHFFFAOYSA-N 1 0 410.923 3.123 50 0 HGAARO O=c1c(C[NH2+]CCn2cncn2)cc2cc3c(cc2n1CC1CCCCC1)CCC3 ZINC000299765582 568873825 /nfs/dbraw/zinc/87/38/25/568873825.db2.gz IINUROIHPKBJPG-UHFFFAOYSA-N 1 0 405.546 3.452 50 0 HGAARO Cn1cnnc1Sc1ccc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)o1 ZINC000670448172 568918824 /nfs/dbraw/zinc/91/88/24/568918824.db2.gz HEQRKHWKVYNUCH-LJQANCHMSA-N 1 0 409.559 3.234 50 0 HGAARO CN(C[C@H](NC(=O)NCCc1cccs1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058438140 568918828 /nfs/dbraw/zinc/91/88/28/568918828.db2.gz SUGRCMSOTFJOOJ-NRFANRHFSA-N 1 0 400.592 3.357 50 0 HGAARO CC[NH+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003657825 568923227 /nfs/dbraw/zinc/92/32/27/568923227.db2.gz KXHYPMZPRLGFQF-DHIUTWEWSA-N 1 0 423.557 3.454 50 0 HGAARO CSCC[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000031553103 568927853 /nfs/dbraw/zinc/92/78/53/568927853.db2.gz KRMZBVNPBVAZAI-DLBZAZTESA-N 1 0 419.547 3.068 50 0 HGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000012761153 568945470 /nfs/dbraw/zinc/94/54/70/568945470.db2.gz AEUJGJHFYZAVQR-HXUWFJFHSA-N 1 0 416.525 3.127 50 0 HGAARO COc1cccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)[NH+]2CCCC2)c1 ZINC000012789070 568960881 /nfs/dbraw/zinc/96/08/81/568960881.db2.gz XANMSWZUNXRGOP-OFNKIYASSA-N 1 0 421.541 3.310 50 0 HGAARO Cc1ccccc1Cn1cc(CCC(=O)NCCN2CCOCC2)c2ccccc21 ZINC000015678413 568966295 /nfs/dbraw/zinc/96/62/95/568966295.db2.gz DQPHMAQUQIWHGZ-UHFFFAOYSA-N 1 0 405.542 3.379 50 0 HGAARO Cn1cnnc1Sc1ccc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)o1 ZINC000670467143 568972966 /nfs/dbraw/zinc/97/29/66/568972966.db2.gz FRBSNXDOEIRPGA-UHFFFAOYSA-N 1 0 409.559 3.234 50 0 HGAARO CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+](CC)CC ZINC000008346123 568994693 /nfs/dbraw/zinc/99/46/93/568994693.db2.gz DJNGILHRJZTQIL-MRXNPFEDSA-N 1 0 404.580 3.135 50 0 HGAARO COc1ccc(CN2CC[N@H+](Cc3cccc4ncccc34)C[C@H]2CCO)c(F)c1 ZINC000104398842 569008455 /nfs/dbraw/zinc/00/84/55/569008455.db2.gz YCIZPUQTUOGMNB-HXUWFJFHSA-N 1 0 409.505 3.451 50 0 HGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)cc1C ZINC000104483849 569008768 /nfs/dbraw/zinc/00/87/68/569008768.db2.gz UEPUXPSMKRFOKD-XMMPIXPASA-N 1 0 420.557 3.258 50 0 HGAARO Cc1ccc(CN2CC[N@@H+](C3CCN(c4ccccc4F)CC3)C[C@H]2CCO)o1 ZINC000104484026 569008965 /nfs/dbraw/zinc/00/89/65/569008965.db2.gz COQSQMNJMCDNFC-HXUWFJFHSA-N 1 0 401.526 3.265 50 0 HGAARO COc1ccc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c(Cl)c1OC ZINC000104545369 569009083 /nfs/dbraw/zinc/00/90/83/569009083.db2.gz UORYANZXAPZQNG-LJQANCHMSA-N 1 0 419.953 3.129 50 0 HGAARO NC(=O)N[C@@H](CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000012851989 569010508 /nfs/dbraw/zinc/01/05/08/569010508.db2.gz DPKWGPFQVUYMIA-FQEVSTJZSA-N 1 0 414.937 3.220 50 0 HGAARO O=C(Cc1csc(NC(=O)c2ccccc2)n1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012909070 569021663 /nfs/dbraw/zinc/02/16/63/569021663.db2.gz CGVWRZIYFQLRCT-LJQANCHMSA-N 1 0 420.538 3.329 50 0 HGAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015954592 569024587 /nfs/dbraw/zinc/02/45/87/569024587.db2.gz QPVPQRVSCZMANI-UGCAPWQASA-N 1 0 415.493 3.043 50 0 biogenic HGAARO CC1CC[NH+](CCNC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1 ZINC000035398344 569035166 /nfs/dbraw/zinc/03/51/66/569035166.db2.gz GWVYWAJNBHYFCA-UHFFFAOYSA-N 1 0 407.562 3.208 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)C1CCN(c2ncc(-c3ccccc3)cn2)CC1 ZINC000035455295 569037901 /nfs/dbraw/zinc/03/79/01/569037901.db2.gz SFGCIPPLGQONMN-UHFFFAOYSA-N 1 0 407.562 3.352 50 0 HGAARO COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000027573458 569052181 /nfs/dbraw/zinc/05/21/81/569052181.db2.gz ZATLQMOVZNBWCC-AZUAARDMSA-N 1 0 409.530 3.093 50 0 HGAARO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000239762207 569054565 /nfs/dbraw/zinc/05/45/65/569054565.db2.gz CLJNYNHNXOZERL-ZRSRNVLSSA-N 1 0 407.352 3.263 50 0 HGAARO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000054320978 569071051 /nfs/dbraw/zinc/07/10/51/569071051.db2.gz ARQLMUUOTNADFV-QHCPKHFHSA-N 1 0 412.622 3.217 50 0 HGAARO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC2([NH+](C)C)CCCCC2)ccc1C ZINC000006654326 569082722 /nfs/dbraw/zinc/08/27/22/569082722.db2.gz KGORDUDFSWGFIZ-UHFFFAOYSA-N 1 0 409.596 3.020 50 0 HGAARO C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006659873 569083999 /nfs/dbraw/zinc/08/39/99/569083999.db2.gz DGSXCBZLHHKNJU-KRWDZBQOSA-N 1 0 406.482 3.341 50 0 biogenic HGAARO COc1ccc(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000036063933 569085549 /nfs/dbraw/zinc/08/55/49/569085549.db2.gz ZZRPVPQRIMSSHA-KRWDZBQOSA-N 1 0 402.539 3.021 50 0 HGAARO CCC(CC)C(=O)N(CC[NH+](C)C)Cc1cc(NC(=O)C2CC2)ccc1N(C)C ZINC000006712896 569096882 /nfs/dbraw/zinc/09/68/82/569096882.db2.gz JDQQMESZSLEBLT-UHFFFAOYSA-N 1 0 402.583 3.428 50 0 HGAARO CCNc1nc(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(C)[nH+]1 ZINC000064800522 569097501 /nfs/dbraw/zinc/09/75/01/569097501.db2.gz SHZGSACZEQGBCV-UHFFFAOYSA-N 1 0 417.579 3.025 50 0 HGAARO c1ccc(CC2CC[NH+](CCCNc3nc4ccccc4n4nnnc34)CC2)cc1 ZINC000006752099 569110706 /nfs/dbraw/zinc/11/07/06/569110706.db2.gz XYNZEBVGVWVWQE-UHFFFAOYSA-N 1 0 401.518 3.429 50 0 HGAARO O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCC[NH+]1CCCC1 ZINC000006796626 569125105 /nfs/dbraw/zinc/12/51/05/569125105.db2.gz MVSVPSIJMGUJCT-UHFFFAOYSA-N 1 0 409.559 3.108 50 0 HGAARO Cc1nn(CCCC(=O)NCCC[NH+]2CCCC2)c(=O)c2c3ccccc3sc21 ZINC000006799457 569126581 /nfs/dbraw/zinc/12/65/81/569126581.db2.gz KQWYEOUVLICHRS-UHFFFAOYSA-N 1 0 412.559 3.302 50 0 HGAARO CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH2+]C[C@@H]2C)cc1 ZINC000036343969 569142310 /nfs/dbraw/zinc/14/23/10/569142310.db2.gz FIYFSGPSPYEMRH-SBUREZEXSA-N 1 0 424.520 3.196 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccccc2OC)CC1 ZINC000036345387 569143236 /nfs/dbraw/zinc/14/32/36/569143236.db2.gz ADBJCSAPHBMCGD-QFIPXVFZSA-N 1 0 424.520 3.150 50 0 HGAARO COc1ccc([S@](=O)Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)o2)cc1 ZINC000006895623 569175350 /nfs/dbraw/zinc/17/53/50/569175350.db2.gz JLTBFDZJNKRAGC-NDEPHWFRSA-N 1 0 404.532 3.202 50 0 HGAARO CCCn1c2ccccc2c2cnn(CC(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)c(=O)c21 ZINC000006900171 569176196 /nfs/dbraw/zinc/17/61/96/569176196.db2.gz YCQCXYRWHJBFNP-QZTJIDSGSA-N 1 0 423.561 3.140 50 0 HGAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000008596737 569188390 /nfs/dbraw/zinc/18/83/90/569188390.db2.gz QEDDAXFKVBBBHW-UHFFFAOYSA-N 1 0 410.518 3.158 50 0 HGAARO COc1cccc(C[N@H+](C)C[C@@H](O)COc2ccc(CCC(C)=O)cc2)c1OC ZINC000006998539 569196607 /nfs/dbraw/zinc/19/66/07/569196607.db2.gz HNAZGWJIKGDGMF-HXUWFJFHSA-N 1 0 401.503 3.097 50 0 HGAARO O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1)NCC[NH+]1CCCCCC1 ZINC000065245359 569205220 /nfs/dbraw/zinc/20/52/20/569205220.db2.gz HAUFRGWJEGNVQJ-IBGZPJMESA-N 1 0 414.598 3.040 50 0 HGAARO COc1ccccc1CNC(=O)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065255883 569208114 /nfs/dbraw/zinc/20/81/14/569208114.db2.gz SVBKEKIGUQTQQK-NRFANRHFSA-N 1 0 402.498 3.171 50 0 HGAARO COc1ccccc1CNC(=O)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256058 569208163 /nfs/dbraw/zinc/20/81/63/569208163.db2.gz OCLUMROCTJINSH-NRFANRHFSA-N 1 0 402.498 3.171 50 0 HGAARO O=C(NCc1cc(F)cc(F)c1)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256400 569208375 /nfs/dbraw/zinc/20/83/75/569208375.db2.gz WWDZVCKTHRTTPK-NRFANRHFSA-N 1 0 408.452 3.441 50 0 HGAARO O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000065564822 569234305 /nfs/dbraw/zinc/23/43/05/569234305.db2.gz IHDKZBVUGCXICE-UHFFFAOYSA-N 1 0 423.542 3.093 50 0 HGAARO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000170593834 569241369 /nfs/dbraw/zinc/24/13/69/569241369.db2.gz BKLOZQFEVMFPAZ-SJORKVTESA-N 1 0 424.545 3.075 50 0 HGAARO COc1ccc(-c2nn3c(nc2=O)-c2cc(Cl)ccc2NC32CC[NH+](C)CC2)cc1 ZINC000170620075 569248708 /nfs/dbraw/zinc/24/87/08/569248708.db2.gz VKKASQVSIDXBNW-UHFFFAOYSA-N 1 0 423.904 3.438 50 0 HGAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000010219473 569253862 /nfs/dbraw/zinc/25/38/62/569253862.db2.gz GTADEWDEUHSWHI-SFHVURJKSA-N 1 0 421.497 3.045 50 0 HGAARO C[C@@H](SC1=N[C@H](c2c[nH]c3ccccc32)NC(=[NH2+])N1)C(=O)N1CCc2ccccc21 ZINC000013579104 569256340 /nfs/dbraw/zinc/25/63/40/569256340.db2.gz MNGDBVFBOPWMRL-BFUOFWGJSA-N 1 0 418.526 3.151 50 0 HGAARO CS[C@@H]1CN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C[C@@H]1[NH+](C)C ZINC000089637003 569261513 /nfs/dbraw/zinc/26/15/13/569261513.db2.gz JBAUFOGDFHFJDL-ZWKOTPCHSA-N 1 0 405.589 3.077 50 0 HGAARO COCCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2OC)[NH+]2CCCCC2)c1=O ZINC000016993361 569270885 /nfs/dbraw/zinc/27/08/85/569270885.db2.gz FXRHDBYYKUBHFO-JOCHJYFZSA-N 1 0 416.518 3.101 50 0 HGAARO FC(F)(F)c1ccc(N2CC[NH+](C3CCN(Cc4cccnc4)CC3)CC2)nc1 ZINC000252495235 569290832 /nfs/dbraw/zinc/29/08/32/569290832.db2.gz OOCTUUSEVMLRFT-UHFFFAOYSA-N 1 0 405.468 3.282 50 0 HGAARO O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000252550536 569294192 /nfs/dbraw/zinc/29/41/92/569294192.db2.gz SQSSCLUVOQEHNC-KRWDZBQOSA-N 1 0 422.538 3.342 50 0 HGAARO COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)OCC[NH+](C)C)cc1 ZINC000002255125 569326194 /nfs/dbraw/zinc/32/61/94/569326194.db2.gz JMSKFXIHSGPEGC-QNGOZBTKSA-N 1 0 421.497 3.063 50 0 HGAARO O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000078878520 569421266 /nfs/dbraw/zinc/42/12/66/569421266.db2.gz KHVWYIIHMRIBHB-INIZCTEOSA-N 1 0 403.910 3.108 50 0 HGAARO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CCSC1 ZINC000079015201 569423805 /nfs/dbraw/zinc/42/38/05/569423805.db2.gz YLOCPYQYVGQEIJ-SFHVURJKSA-N 1 0 415.028 3.452 50 0 HGAARO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccccc1 ZINC000079025864 569424817 /nfs/dbraw/zinc/42/48/17/569424817.db2.gz NKRXCDKUDXPWOC-QVKFZJNVSA-N 1 0 411.527 3.095 50 0 HGAARO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N(CCCO)Cc1ccncc1 ZINC000079059532 569426184 /nfs/dbraw/zinc/42/61/84/569426184.db2.gz SXIVIKYVJKDKQA-UHFFFAOYSA-N 1 0 414.575 3.089 50 0 HGAARO O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079189056 569429202 /nfs/dbraw/zinc/42/92/02/569429202.db2.gz SOZSZWOEIJUELM-HTAPYJJXSA-N 1 0 424.541 3.431 50 0 biogenic HGAARO Cc1cc(C)cc(OC[C@@H](O)CC[NH2+]CC[C@H](O)COc2cc(C)cc(C)c2)c1 ZINC000263619719 571043523 /nfs/dbraw/zinc/04/35/23/571043523.db2.gz FMWYYFDDWMGCIC-VXKWHMMOSA-N 1 0 401.547 3.470 50 0 HGAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000008893096 571142766 /nfs/dbraw/zinc/14/27/66/571142766.db2.gz CPMIVAALUXGRKN-KRWDZBQOSA-N 1 0 415.515 3.149 50 0 HGAARO COc1ccc(CNC(=S)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000040087580 571158153 /nfs/dbraw/zinc/15/81/53/571158153.db2.gz DHMQELWHEVZHFK-HDICACEKSA-N 1 0 413.587 3.469 50 0 HGAARO C[NH+](C)C[C@@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@@H](O)c1ccccc1 ZINC000040104956 571165661 /nfs/dbraw/zinc/16/56/61/571165661.db2.gz GWZYOBTUZIUZIP-XXBNENTESA-N 1 0 424.545 3.236 50 0 HGAARO O=S(=O)(Cc1cccc(Cl)c1)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000245039089 571212415 /nfs/dbraw/zinc/21/24/15/571212415.db2.gz OESLZKVUBMGCID-UHFFFAOYSA-N 1 0 403.013 3.367 50 0 HGAARO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)c1 ZINC000069533588 571228951 /nfs/dbraw/zinc/22/89/51/571228951.db2.gz ZKCJNESGLTUSJJ-DEOSSOPVSA-N 1 0 408.590 3.133 50 0 HGAARO CC[NH+](CC)Cc1ccc(CNC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000009875453 571289266 /nfs/dbraw/zinc/28/92/66/571289266.db2.gz MODLTKKRJFJZLF-UHFFFAOYSA-N 1 0 422.451 3.384 50 0 HGAARO COc1ccc(S(=O)(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)cc1OC ZINC000010335631 571300758 /nfs/dbraw/zinc/30/07/58/571300758.db2.gz OKSRYIOXZRWGHE-HXUWFJFHSA-N 1 0 414.527 3.438 50 0 HGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3I)cc2)CC1 ZINC000006287902 132310156 /nfs/dbraw/zinc/31/01/56/132310156.db2.gz MFGURZCCYIRNOG-UHFFFAOYSA-N 1 0 421.282 3.295 50 0 HGAARO CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](C)CC2)cc1 ZINC000006700889 132313133 /nfs/dbraw/zinc/31/31/33/132313133.db2.gz QATXZWFMRNDELW-UHFFFAOYSA-N 1 0 411.502 3.266 50 0 HGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCN1C(=O)COc2ccc(C)cc21 ZINC000006751243 132314873 /nfs/dbraw/zinc/31/48/73/132314873.db2.gz GZCFCTYHVCLPKN-IBGZPJMESA-N 1 0 401.551 3.271 50 0 HGAARO Cc1ccc2c(c1)N(CCCC(=O)NCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)CO2 ZINC000006751257 132314878 /nfs/dbraw/zinc/31/48/78/132314878.db2.gz JETPTBUZZISJSY-KDURUIRLSA-N 1 0 401.551 3.270 50 0 HGAARO COc1ccccc1N1CC[NH+](CCCNC(=O)COc2ccc(Cl)cc2)CC1 ZINC000006786022 132316466 /nfs/dbraw/zinc/31/64/66/132316466.db2.gz KPZONIPZFLPQRD-UHFFFAOYSA-N 1 0 417.937 3.056 50 0 HGAARO CC[N@H+](CCCNC(=O)CCC(=O)N1CCOc2ccccc21)Cc1ccccc1 ZINC000006798513 132317211 /nfs/dbraw/zinc/31/72/11/132317211.db2.gz ZCWVVKDSRLPCTF-UHFFFAOYSA-N 1 0 409.530 3.221 50 0 HGAARO O=C(c1ccc(N2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1)N1CCC[C@@H](O)C1 ZINC000012243507 132357725 /nfs/dbraw/zinc/35/77/25/132357725.db2.gz XRQBMTRKWZORTD-RUZDIDTESA-N 1 0 419.569 3.009 50 0 HGAARO CC(C)C(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](Cc3ccccc3)CC1)n2C ZINC000022804826 519524612 /nfs/dbraw/zinc/52/46/12/519524612.db2.gz LWCIVLZWCDDMHH-UHFFFAOYSA-N 1 0 405.546 3.486 50 0 HGAARO CC[NH+](CC)CCNC(=O)[C@@H](C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000032945000 520678025 /nfs/dbraw/zinc/67/80/25/520678025.db2.gz DOOKTDCEQCBBFL-CQSZACIVSA-N 1 0 412.456 3.051 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 ZINC000031984097 520862219 /nfs/dbraw/zinc/86/22/19/520862219.db2.gz GKDIQZLAYOISHZ-LJQANCHMSA-N 1 0 403.548 3.393 50 0 HGAARO CCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000058201876 520866634 /nfs/dbraw/zinc/86/66/34/520866634.db2.gz DCXBKGOVZDHQPG-GBESFXJTSA-N 1 0 403.567 3.078 50 0 HGAARO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)NC(=O)OCc2ccccc2)CC1 ZINC000032905010 521700047 /nfs/dbraw/zinc/70/00/47/521700047.db2.gz FZTUHCXTBGYXRW-SFHVURJKSA-N 1 0 410.518 3.082 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccs1 ZINC000040103701 522019099 /nfs/dbraw/zinc/01/90/99/522019099.db2.gz KNNCLEPVEIXMSL-ZDUSSCGKSA-N 1 0 403.476 3.169 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccc(F)c1 ZINC000032795269 522023504 /nfs/dbraw/zinc/02/35/04/522023504.db2.gz LPUZKUBQUBNCIT-KXBFYZLASA-N 1 0 403.885 3.251 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccs1 ZINC000044118148 522078192 /nfs/dbraw/zinc/07/81/92/522078192.db2.gz WVRRFTGFNPVVCE-IAGOWNOFSA-N 1 0 402.520 3.290 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccc(F)c1 ZINC000032795272 522078419 /nfs/dbraw/zinc/07/84/19/522078419.db2.gz LPUZKUBQUBNCIT-DNVCBOLYSA-N 1 0 403.885 3.251 50 0 HGAARO CN(C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1)[C@@H]1CC[N@H+](C)C1 ZINC000040355840 523963358 /nfs/dbraw/zinc/96/33/58/523963358.db2.gz KUPQQFWWEGBLJM-LLVKDONJSA-N 1 0 413.330 3.478 50 0 HGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CN1C1Cc2ccccc2C1 ZINC000032573436 524087785 /nfs/dbraw/zinc/08/77/85/524087785.db2.gz VZPYWFIIVQQRFF-CTNGQTDRSA-N 1 0 417.475 3.151 50 0 HGAARO Cc1cc(N2C[C@@H](C(=O)NC3CC[NH+](C(C)C)CC3)CC2=O)ccc1Br ZINC000032795774 525096948 /nfs/dbraw/zinc/09/69/48/525096948.db2.gz OQLNKOVJBOFDGY-HNNXBMFYSA-N 1 0 422.367 3.099 50 0 HGAARO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC([NH+](C)C)CC3)cc2)cc1C ZINC000032912064 525298697 /nfs/dbraw/zinc/29/86/97/525298697.db2.gz UVCZNKVGMXMZBX-UHFFFAOYSA-N 1 0 415.559 3.270 50 0 HGAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncn3nc(Cc4ccccc4)nc3c12 ZINC000020590682 525683224 /nfs/dbraw/zinc/68/32/24/525683224.db2.gz JCXPSYZTTUWPOP-UHFFFAOYSA-N 1 0 404.518 3.009 50 0 HGAARO O=C(NCC[NH+]1CCCC1)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000020565167 526305829 /nfs/dbraw/zinc/30/58/29/526305829.db2.gz WKIPIDXZEXFNQC-UHFFFAOYSA-N 1 0 411.531 3.051 50 0 HGAARO O=C(CCC(=O)N1CC[NH+](C2CCCC2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000020392842 526379126 /nfs/dbraw/zinc/37/91/26/526379126.db2.gz SOOPAUMCGZKYOS-UHFFFAOYSA-N 1 0 419.595 3.391 50 0 HGAARO O=C1CSc2sc3c(ncn(C[C@@H](c4ccccc4)[NH+]4CCCC4)c3=O)c2N1 ZINC000032624501 527017666 /nfs/dbraw/zinc/01/76/66/527017666.db2.gz NHACXNTZQWZEIK-AWEZNQCLSA-N 1 0 412.540 3.339 50 0 HGAARO O=C1CSc2sc3c(ncn(C[C@H](c4ccccc4)[NH+]4CCCC4)c3=O)c2N1 ZINC000032624499 527017868 /nfs/dbraw/zinc/01/78/68/527017868.db2.gz NHACXNTZQWZEIK-CQSZACIVSA-N 1 0 412.540 3.339 50 0 HGAARO O=C(Nc1nc(C(=O)N2CC[NH+](C3CCCC3)CC2)cs1)c1ccccc1F ZINC000040356020 527503129 /nfs/dbraw/zinc/50/31/29/527503129.db2.gz ADKDVOBTNQTEHB-UHFFFAOYSA-N 1 0 402.495 3.235 50 0 HGAARO CCOc1cc(C[NH+]2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)ccc1O ZINC000000795496 557082846 /nfs/dbraw/zinc/08/28/46/557082846.db2.gz GLZGIIHZWFHWJB-UHFFFAOYSA-N 1 0 412.530 3.024 50 0 HGAARO O=C(NCCN1CCOCC1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000034668603 557362341 /nfs/dbraw/zinc/36/23/41/557362341.db2.gz HMQWDDZBTLCNIW-UHFFFAOYSA-N 1 0 421.585 3.203 50 0 HGAARO CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(C)c3)co2)CC1 ZINC000034677313 557365009 /nfs/dbraw/zinc/36/50/09/557365009.db2.gz RBHOVEYXFIRQLN-HXUWFJFHSA-N 1 0 414.550 3.212 50 0 HGAARO COc1ccccc1N(C[C@@H](O)C[NH+]1CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000004951957 557616609 /nfs/dbraw/zinc/61/66/09/557616609.db2.gz RADKTLWBTFFWFV-IBGZPJMESA-N 1 0 418.559 3.046 50 0 HGAARO O=C(CCc1ccccc1)NC(=S)Nc1nnc(CC[NH+]2CCCCC2)s1 ZINC000005078131 557634408 /nfs/dbraw/zinc/63/44/08/557634408.db2.gz FOWOFAPOJPFGKA-UHFFFAOYSA-N 1 0 403.577 3.012 50 0 HGAARO COc1ccc(CC[NH2+]Cc2ccc(OCC(=O)NC(C)(C)C)cc2)cc1OC ZINC000006882421 557728729 /nfs/dbraw/zinc/72/87/29/557728729.db2.gz UHFSQRPGSMCAOE-UHFFFAOYSA-N 1 0 400.519 3.330 50 0 HGAARO CCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)N2CC[NH+](CC)CC2)c1=O ZINC000022697263 557784034 /nfs/dbraw/zinc/78/40/34/557784034.db2.gz AJUSDIIVRZUUQP-OAQYLSRUSA-N 1 0 401.576 3.331 50 0 HGAARO COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)c2c1 ZINC000009482581 557844010 /nfs/dbraw/zinc/84/40/10/557844010.db2.gz MFTJXYFTFZAVEY-IBGZPJMESA-N 1 0 415.852 3.433 50 0 HGAARO CC[NH+](CC)CCCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccncc1 ZINC000010233227 557857711 /nfs/dbraw/zinc/85/77/11/557857711.db2.gz ZULRCNSMLDJRDU-OAQYLSRUSA-N 1 0 421.497 3.474 50 0 HGAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3nc4cc(F)ccc4[nH]3)C2)CC1 ZINC000019732202 558259865 /nfs/dbraw/zinc/25/98/65/558259865.db2.gz AHQCHUQZXINDKY-IBGZPJMESA-N 1 0 423.536 3.497 50 0 HGAARO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000011760437 558273273 /nfs/dbraw/zinc/27/32/73/558273273.db2.gz ZMDJZGYDDBOHAQ-KRWDZBQOSA-N 1 0 411.477 3.459 50 0 HGAARO COC[C@@H]1CC[N@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000011819753 558282962 /nfs/dbraw/zinc/28/29/62/558282962.db2.gz QIBLWPGWKMAYJU-OAQYLSRUSA-N 1 0 420.557 3.426 50 0 HGAARO COc1cccc2ccc(CN3CCC([NH+]4CCC(C(=O)NC(C)C)CC4)CC3)nc21 ZINC000011822000 558285000 /nfs/dbraw/zinc/28/50/00/558285000.db2.gz MIBFONGZUHKDLY-UHFFFAOYSA-N 1 0 424.589 3.444 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NC[C@@H]2CCCO2)c1 ZINC000011842605 558287654 /nfs/dbraw/zinc/28/76/54/558287654.db2.gz OJWQGKJXBCIQHB-FQEVSTJZSA-N 1 0 402.535 3.390 50 0 HGAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1cn(CCc2ccccc2)nn1 ZINC000011874815 558292341 /nfs/dbraw/zinc/29/23/41/558292341.db2.gz VNUSAFNJNZKSSU-QFIPXVFZSA-N 1 0 403.530 3.130 50 0 HGAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)cc1C ZINC000019835904 558292727 /nfs/dbraw/zinc/29/27/27/558292727.db2.gz QLMKDKXDGMKREY-INIZCTEOSA-N 1 0 423.517 3.046 50 0 HGAARO O=C(NCCCn1cccn1)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000011936846 558300834 /nfs/dbraw/zinc/30/08/34/558300834.db2.gz VNUMGQRJXNAUCP-UHFFFAOYSA-N 1 0 419.529 3.142 50 0 HGAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000011981811 558306046 /nfs/dbraw/zinc/30/60/46/558306046.db2.gz WPHNIYKLUGFGAY-NRFANRHFSA-N 1 0 410.514 3.195 50 0 HGAARO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012004074 558308633 /nfs/dbraw/zinc/30/86/33/558308633.db2.gz XVLMVUJOBDFMRK-SFHVURJKSA-N 1 0 403.954 3.069 50 0 HGAARO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1Cc1cccs1 ZINC000019940081 558314056 /nfs/dbraw/zinc/31/40/56/558314056.db2.gz DRGBXPSBVLNXHM-LJQANCHMSA-N 1 0 400.523 3.346 50 0 HGAARO O=C(C1CCOCC1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012055238 558315606 /nfs/dbraw/zinc/31/56/06/558315606.db2.gz JAQPUMSIJNQBMS-QFIPXVFZSA-N 1 0 418.553 3.472 50 0 HGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cn(Cc2ccccc2F)nn1 ZINC000012090473 558323967 /nfs/dbraw/zinc/32/39/67/558323967.db2.gz NITYBTUYBMICJN-IBGZPJMESA-N 1 0 407.493 3.108 50 0 HGAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(N4CCNC4=O)cc3)C2)c(OC)c1 ZINC000020204141 558346571 /nfs/dbraw/zinc/34/65/71/558346571.db2.gz WMKFBYCPZRAAJO-GOSISDBHSA-N 1 0 423.513 3.328 50 0 HGAARO O=C(c1nc2ccccn2c1C[NH2+]CCCn1ncc2ccccc21)N1CCCC1 ZINC000012199808 558351144 /nfs/dbraw/zinc/35/11/44/558351144.db2.gz WGJNTCYEZCXQPZ-UHFFFAOYSA-N 1 0 402.502 3.100 50 0 HGAARO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@@H+](Cc2ccccc2C)CC3)c1 ZINC000020452906 558367131 /nfs/dbraw/zinc/36/71/31/558367131.db2.gz LBCKFTJFANNETE-GOSISDBHSA-N 1 0 419.529 3.144 50 0 HGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012297368 558367366 /nfs/dbraw/zinc/36/73/66/558367366.db2.gz GWXJFQRUOAOVGP-LJQANCHMSA-N 1 0 418.497 3.494 50 0 HGAARO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CSCCSC2)cc1 ZINC000012301979 558371526 /nfs/dbraw/zinc/37/15/26/558371526.db2.gz NNPZXYCXRCYNIX-LJQANCHMSA-N 1 0 402.589 3.432 50 0 HGAARO Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)[nH]n1 ZINC000012307007 558375647 /nfs/dbraw/zinc/37/56/47/558375647.db2.gz JVMAUAYCUWBJKA-UHFFFAOYSA-N 1 0 406.534 3.207 50 0 HGAARO CC(=O)NCCC(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012308787 558376893 /nfs/dbraw/zinc/37/68/93/558376893.db2.gz GMJJYUGFMVDRDG-UHFFFAOYSA-N 1 0 422.573 3.157 50 0 HGAARO Cc1cccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000012448606 558415516 /nfs/dbraw/zinc/41/55/16/558415516.db2.gz RVJACTCSQYSJOC-UHFFFAOYSA-N 1 0 419.485 3.405 50 0 HGAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC2CCN(C(C)=O)CC2)C1 ZINC000012574589 558430461 /nfs/dbraw/zinc/43/04/61/558430461.db2.gz XWKXXWWAISRYND-SFHVURJKSA-N 1 0 421.969 3.286 50 0 HGAARO CN(C(=O)c1cc2ccccc2oc1=O)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012590432 558435453 /nfs/dbraw/zinc/43/54/53/558435453.db2.gz MMJDIUPXTZPVAE-FQEVSTJZSA-N 1 0 402.494 3.497 50 0 HGAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](CCCn2cccn2)CC1)c1ccccc1 ZINC000012704722 558449389 /nfs/dbraw/zinc/44/93/89/558449389.db2.gz LAUKTFPJEYZYJN-QFIPXVFZSA-N 1 0 422.533 3.133 50 0 HGAARO CC(C)(C[NH2+][C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)CN1CCOCC1 ZINC000012710612 558452237 /nfs/dbraw/zinc/45/22/37/558452237.db2.gz MDDDSCQLRXPVRL-QGZVFWFLSA-N 1 0 400.489 3.017 50 0 HGAARO CC[NH+](CC)C[C@@H](O)COc1ccc(CNCc2c(F)cccc2F)cc1OC ZINC000012714070 558454115 /nfs/dbraw/zinc/45/41/15/558454115.db2.gz OTPYETOJGUGYPN-QGZVFWFLSA-N 1 0 408.489 3.345 50 0 HGAARO Cc1ccccc1Cn1cc(C(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)nn1 ZINC000012713730 558454126 /nfs/dbraw/zinc/45/41/26/558454126.db2.gz VGJYJOVZSKQUQI-JOCHJYFZSA-N 1 0 403.530 3.244 50 0 HGAARO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)Nc1ccccc1OC(F)F ZINC000022025098 558458793 /nfs/dbraw/zinc/45/87/93/558458793.db2.gz TZMVYBVXWZDFQZ-INIZCTEOSA-N 1 0 419.472 3.237 50 0 HGAARO CC1CC[NH+](CCCNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 ZINC000012794258 558467504 /nfs/dbraw/zinc/46/75/04/558467504.db2.gz AGSFIDRZLIXURM-UHFFFAOYSA-N 1 0 419.525 3.335 50 0 HGAARO CN(CC[NH+](C)C)C(=O)c1cccc(OC2CCN(C(=O)C3=CCCCC3)CC2)c1 ZINC000012835386 558477808 /nfs/dbraw/zinc/47/78/08/558477808.db2.gz XPAXCVOBKMDTKT-UHFFFAOYSA-N 1 0 413.562 3.190 50 0 HGAARO Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000022324427 558478228 /nfs/dbraw/zinc/47/82/28/558478228.db2.gz CZQGHRJUOAZCTF-UHFFFAOYSA-N 1 0 421.501 3.270 50 0 HGAARO C[C@H]1CCCC[C@@]12NC(=O)N(CN1CC[NH+](Cc3cccc4ccccc43)CC1)C2=O ZINC000022775557 558509401 /nfs/dbraw/zinc/50/94/01/558509401.db2.gz QKBZUDWIOHERIE-UQBPGWFLSA-N 1 0 420.557 3.416 50 0 HGAARO C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022802922 558513246 /nfs/dbraw/zinc/51/32/46/558513246.db2.gz PEJQQWSGFYYBAL-REWPJTCUSA-N 1 0 407.558 3.077 50 0 HGAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3nc4ccccc4n3C)C2)CC1 ZINC000022851484 558516875 /nfs/dbraw/zinc/51/68/75/558516875.db2.gz YWCTUMKBHZZPFX-FQEVSTJZSA-N 1 0 419.573 3.369 50 0 HGAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000022935454 558526359 /nfs/dbraw/zinc/52/63/59/558526359.db2.gz MEKDXSJIQPXHIP-LJQANCHMSA-N 1 0 408.506 3.037 50 0 HGAARO Cc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)CC1 ZINC000023374778 558554433 /nfs/dbraw/zinc/55/44/33/558554433.db2.gz YIQOXRWEUIZLFK-QHCPKHFHSA-N 1 0 409.574 3.153 50 0 HGAARO CCC[NH+]1CCC(Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)CC1 ZINC000023846974 558577891 /nfs/dbraw/zinc/57/78/91/558577891.db2.gz CQAHNWPZZRHHRC-UHFFFAOYSA-N 1 0 415.607 3.299 50 0 HGAARO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(c2ccccc2)CC1 ZINC000024748064 558609712 /nfs/dbraw/zinc/60/97/12/558609712.db2.gz WSRXLKCKBFVGTI-MRXNPFEDSA-N 1 0 409.486 3.374 50 0 HGAARO CC(C)C(=O)N1CCC(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000024751470 558609948 /nfs/dbraw/zinc/60/99/48/558609948.db2.gz MANVTWJYODDQPA-UHFFFAOYSA-N 1 0 405.970 3.315 50 0 HGAARO CN(CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1N1CCOCC1 ZINC000014095903 558620131 /nfs/dbraw/zinc/62/01/31/558620131.db2.gz RGANIQDXBKWCER-UHFFFAOYSA-N 1 0 422.573 3.190 50 0 HGAARO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1Br ZINC000024928294 558621396 /nfs/dbraw/zinc/62/13/96/558621396.db2.gz NFJAAZFDNPTGLO-MRXNPFEDSA-N 1 0 419.319 3.471 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccsc1 ZINC000025329805 558638415 /nfs/dbraw/zinc/63/84/15/558638415.db2.gz GYTGHWJNCVUPAX-FQEVSTJZSA-N 1 0 418.522 3.480 50 0 HGAARO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000014530678 558655825 /nfs/dbraw/zinc/65/58/25/558655825.db2.gz SIRUWEDVVXWPOD-UHFFFAOYSA-N 1 0 406.530 3.332 50 0 HGAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([NH2+]Cc1cccs1)C2 ZINC000014541447 558660220 /nfs/dbraw/zinc/66/02/20/558660220.db2.gz XATQGKDYZLZIDZ-SFHVURJKSA-N 1 0 406.555 3.327 50 0 HGAARO COc1ccc(N2C[C@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2COCC3)cc1 ZINC000026441650 558660950 /nfs/dbraw/zinc/66/09/50/558660950.db2.gz KTQDDWWHZIUGTH-VWLOTQADSA-N 1 0 401.486 3.469 50 0 HGAARO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCC(C)C ZINC000014741465 558666916 /nfs/dbraw/zinc/66/69/16/558666916.db2.gz FKSHLGYPRXKGHS-UHFFFAOYSA-N 1 0 403.571 3.029 50 0 HGAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000014742340 558667426 /nfs/dbraw/zinc/66/74/26/558667426.db2.gz PAKYGWDWDQKZDW-UHFFFAOYSA-N 1 0 403.526 3.125 50 0 HGAARO CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C2CC[NH+](C(C)C)CC2)CC1=O ZINC000014744500 558668445 /nfs/dbraw/zinc/66/84/45/558668445.db2.gz SQNRRQJKQQEFQS-QHCPKHFHSA-N 1 0 419.585 3.384 50 0 HGAARO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000027498451 558673626 /nfs/dbraw/zinc/67/36/26/558673626.db2.gz PJWWVYFGFMHCKH-VXKWHMMOSA-N 1 0 422.529 3.152 50 0 HGAARO CCOc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000027662226 558678191 /nfs/dbraw/zinc/67/81/91/558678191.db2.gz XLWMRHZNELERJC-OAQYLSRUSA-N 1 0 401.938 3.457 50 0 HGAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1C ZINC000027664368 558679507 /nfs/dbraw/zinc/67/95/07/558679507.db2.gz DJOOMYMYJSDQNE-QFIPXVFZSA-N 1 0 415.965 3.441 50 0 HGAARO COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1=O ZINC000027675843 558680339 /nfs/dbraw/zinc/68/03/39/558680339.db2.gz RJHZVYWHWABLPG-XJKSGUPXSA-N 1 0 421.950 3.182 50 0 HGAARO C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027934205 558684964 /nfs/dbraw/zinc/68/49/64/558684964.db2.gz BWZQWTBEVRONAW-IBGZPJMESA-N 1 0 403.526 3.325 50 0 HGAARO CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014990554 558694346 /nfs/dbraw/zinc/69/43/46/558694346.db2.gz MLEGMBISNWCRQK-KRWDZBQOSA-N 1 0 407.518 3.430 50 0 HGAARO COCC[N@@H+]1CCCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)CC1 ZINC000072273645 558699268 /nfs/dbraw/zinc/69/92/68/558699268.db2.gz MSPQIWXRJNTRTH-UHFFFAOYSA-N 1 0 421.545 3.474 50 0 HGAARO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(N2CCC[N@@H+](C)CC2)nc1 ZINC000070037562 558702758 /nfs/dbraw/zinc/70/27/58/558702758.db2.gz AXGCDEOPWODAGO-UHFFFAOYSA-N 1 0 419.529 3.046 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@H](C)CC2(C)CC2)CC1 ZINC000015065884 558708797 /nfs/dbraw/zinc/70/87/97/558708797.db2.gz HOHDWWHUTXLHKG-QGZVFWFLSA-N 1 0 404.551 3.493 50 0 HGAARO COc1ccc(OCc2cc(C(=O)N(C)C[C@@H]3CCCC[N@@H+]3C)n[nH]2)c(Cl)c1 ZINC000015066081 558709130 /nfs/dbraw/zinc/70/91/30/558709130.db2.gz PYDXEJSSXRZURH-HNNXBMFYSA-N 1 0 406.914 3.207 50 0 HGAARO Cc1ccc(CN2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)s1 ZINC000015073160 558713962 /nfs/dbraw/zinc/71/39/62/558713962.db2.gz BEMFFBCWMCDZHH-UHFFFAOYSA-N 1 0 412.603 3.444 50 0 HGAARO C/C(=C\c1ccco1)CN1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000015078344 558717667 /nfs/dbraw/zinc/71/76/67/558717667.db2.gz LGAKCPKERZBXHJ-WNLUNTPQSA-N 1 0 415.578 3.155 50 0 HGAARO CCOC[C@H](O)CNC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000015079172 558718057 /nfs/dbraw/zinc/71/80/57/558718057.db2.gz QXTUWUISPPLZHX-GOSISDBHSA-N 1 0 424.969 3.253 50 0 HGAARO Cc1cccc(N2CC[NH+](CC[C@H](C)NS(=O)(=O)c3ccccc3F)CC2)c1 ZINC000030440049 558730360 /nfs/dbraw/zinc/73/03/60/558730360.db2.gz FSMMYNARNAOKNS-SFHVURJKSA-N 1 0 405.539 3.013 50 0 HGAARO Cc1cccc(N2CC[NH+](CC[C@@H](C)NS(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000030439717 558730380 /nfs/dbraw/zinc/73/03/80/558730380.db2.gz RSBUOPOAZIJASR-GOSISDBHSA-N 1 0 405.539 3.013 50 0 HGAARO COc1cccc(NC(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c1 ZINC000015825137 558754689 /nfs/dbraw/zinc/75/46/89/558754689.db2.gz IWAZENKMUVFQQY-UHFFFAOYSA-N 1 0 410.522 3.138 50 0 HGAARO Nc1ccc(F)c(NC(=O)CC[NH+]2CCN(CCOc3ccccc3Cl)CC2)c1 ZINC000072309069 558772546 /nfs/dbraw/zinc/77/25/46/558772546.db2.gz DMXGZZRISXBGEX-UHFFFAOYSA-N 1 0 420.916 3.087 50 0 HGAARO COc1cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)ccc1OCc1ccccc1 ZINC000002828221 558776469 /nfs/dbraw/zinc/77/64/69/558776469.db2.gz YKTJUNLKOOVXMF-UHFFFAOYSA-N 1 0 424.541 3.345 50 0 HGAARO O=C(CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(F)c(F)c1)N1CC[NH2+]CC1 ZINC000035422076 558791827 /nfs/dbraw/zinc/79/18/27/558791827.db2.gz RGVZHVRRDSCPEV-UHFFFAOYSA-N 1 0 421.875 3.083 50 0 HGAARO CCn1nc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2c1=O ZINC000016506884 558794902 /nfs/dbraw/zinc/79/49/02/558794902.db2.gz ZJMDDUJLXVRCQV-UHFFFAOYSA-N 1 0 404.514 3.332 50 0 HGAARO C[NH+](C)CCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc3c(c2)OCO3)n1 ZINC000016913675 558809198 /nfs/dbraw/zinc/80/91/98/558809198.db2.gz KRRZFNCLDICZQJ-UHFFFAOYSA-N 1 0 417.473 3.261 50 0 HGAARO CCOc1ccc(C(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000017307332 558826728 /nfs/dbraw/zinc/82/67/28/558826728.db2.gz VGWRUXMZWBMBNL-UHFFFAOYSA-N 1 0 409.534 3.136 50 0 HGAARO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)s1 ZINC000033011038 558830371 /nfs/dbraw/zinc/83/03/71/558830371.db2.gz NRJXRLYCXRNUCT-UHFFFAOYSA-N 1 0 401.536 3.095 50 0 HGAARO OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1Cc1cccs1 ZINC000019229409 558853356 /nfs/dbraw/zinc/85/33/56/558853356.db2.gz DRRQXIMLTKEPPG-IBGZPJMESA-N 1 0 410.543 3.399 50 0 HGAARO Cc1ccc(C)c(OCCC(=O)OCC(=O)N[C@@H](c2nccn2C)c2ccccc2)c1 ZINC000022201848 558865244 /nfs/dbraw/zinc/86/52/44/558865244.db2.gz LTMSDULTACNEQX-HSZRJFAPSA-N 1 0 421.497 3.255 50 0 HGAARO Cc1c(C(=O)Nc2cc(F)ccc2F)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048279 558885019 /nfs/dbraw/zinc/88/50/19/558885019.db2.gz PWZNKXSMVVUDKU-UHFFFAOYSA-N 1 0 403.458 3.282 50 0 HGAARO COc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)C2CCCCC2)CC1 ZINC000004688738 558899014 /nfs/dbraw/zinc/89/90/14/558899014.db2.gz BHGDHIGLQSGGNP-OUKQBFOZSA-N 1 0 413.562 3.080 50 0 biogenic HGAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000058114348 558899693 /nfs/dbraw/zinc/89/96/93/558899693.db2.gz RRWXOCNEGQQLEC-UHFFFAOYSA-N 1 0 406.452 3.101 50 0 HGAARO COCCOc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1OC ZINC000058178223 558909924 /nfs/dbraw/zinc/90/99/24/558909924.db2.gz KUQMLHHSCXXRLO-KRWDZBQOSA-N 1 0 407.555 3.297 50 0 HGAARO COc1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000058268947 558916007 /nfs/dbraw/zinc/91/60/07/558916007.db2.gz CHJKYUKYUUWCNN-SUMWQHHRSA-N 1 0 401.429 3.336 50 0 HGAARO CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2)c1C ZINC000058344940 558921078 /nfs/dbraw/zinc/92/10/78/558921078.db2.gz NGKRZSJVLWQIOY-VQTJNVASSA-N 1 0 411.506 3.106 50 0 HGAARO Cc1ccc(NC(=O)c2nnc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)s2)cc1 ZINC000033060423 558954812 /nfs/dbraw/zinc/95/48/12/558954812.db2.gz QOLAJLKOSHNJCY-HNNXBMFYSA-N 1 0 401.536 3.093 50 0 HGAARO COc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c(C)c1 ZINC000065362898 558973698 /nfs/dbraw/zinc/97/36/98/558973698.db2.gz DVRBYDPLXRXCIN-UHFFFAOYSA-N 1 0 424.549 3.446 50 0 HGAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)n1 ZINC000065364003 558975169 /nfs/dbraw/zinc/97/51/69/558975169.db2.gz RQDROIZCSUALHY-UHFFFAOYSA-N 1 0 404.902 3.233 50 0 HGAARO COc1cc(OC)c(NC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)cc1Cl ZINC000033069121 558983381 /nfs/dbraw/zinc/98/33/81/558983381.db2.gz AACDGNGIDPYWCN-UHFFFAOYSA-N 1 0 406.870 3.030 50 0 HGAARO CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2)C1 ZINC000033264213 558984682 /nfs/dbraw/zinc/98/46/82/558984682.db2.gz PEOVBAMEGAMIDK-GHTZIAJQSA-N 1 0 400.567 3.200 50 0 HGAARO Cn1ccnc1CNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000067772329 558992616 /nfs/dbraw/zinc/99/26/16/558992616.db2.gz AWLSIAYGLJNPIE-UHFFFAOYSA-N 1 0 418.541 3.436 50 0 HGAARO CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCC([NH+](C)C)CC3)nc2)C1 ZINC000067847098 558993908 /nfs/dbraw/zinc/99/39/08/558993908.db2.gz MJIPFEWDDYESKU-LJQANCHMSA-N 1 0 400.567 3.079 50 0 HGAARO O=C(NCc1nccs1)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082098829 559037879 /nfs/dbraw/zinc/03/78/79/559037879.db2.gz FNUFBQBFHLIIOP-HXUWFJFHSA-N 1 0 412.603 3.178 50 0 HGAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106819 559038237 /nfs/dbraw/zinc/03/82/37/559038237.db2.gz WVDMRGMARGNJLV-HSZRJFAPSA-N 1 0 406.574 3.417 50 0 HGAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)s1 ZINC000082108120 559038634 /nfs/dbraw/zinc/03/86/34/559038634.db2.gz TVJMZIGGPSIEIU-HXUWFJFHSA-N 1 0 412.603 3.444 50 0 HGAARO COCCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082121583 559039549 /nfs/dbraw/zinc/03/95/49/559039549.db2.gz GEUXJNJUQMXMED-GOSISDBHSA-N 1 0 414.550 3.004 50 0 HGAARO COC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000033278772 559042319 /nfs/dbraw/zinc/04/23/19/559042319.db2.gz XVSHPUDGSSJUPF-UHFFFAOYSA-N 1 0 413.493 3.324 50 0 HGAARO Cc1ccc(OCC(=O)N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000004745975 559046636 /nfs/dbraw/zinc/04/66/36/559046636.db2.gz YFZYHQWURDAYAZ-UHFFFAOYSA-N 1 0 407.558 3.183 50 0 HGAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCSCC1 ZINC000091270180 559070743 /nfs/dbraw/zinc/07/07/43/559070743.db2.gz BCRUKWCUAVWQCA-KRWDZBQOSA-N 1 0 414.575 3.084 50 0 HGAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1 ZINC000095482830 559081286 /nfs/dbraw/zinc/08/12/86/559081286.db2.gz XXQYOOUUADMGGO-KRWDZBQOSA-N 1 0 408.376 3.406 50 0 HGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCc1ccnn1C ZINC000095516963 559084545 /nfs/dbraw/zinc/08/45/45/559084545.db2.gz GMQOQJUHYUVGMA-LJQANCHMSA-N 1 0 402.970 3.419 50 0 HGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cc1csc(C(C)=O)c1)CC2 ZINC000096131445 559095505 /nfs/dbraw/zinc/09/55/05/559095505.db2.gz XNHAMQDQMQFTCL-UHFFFAOYSA-N 1 0 400.548 3.002 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)Cc1ccccc1 ZINC000011603673 559113196 /nfs/dbraw/zinc/11/31/96/559113196.db2.gz VRYDKPWOVSCXOR-VQIMIIECSA-N 1 0 417.962 3.432 50 0 HGAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000100492731 559135715 /nfs/dbraw/zinc/13/57/15/559135715.db2.gz KGSNKOSIEYXJTF-INIZCTEOSA-N 1 0 423.296 3.475 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)sc1C ZINC000011691876 559185512 /nfs/dbraw/zinc/18/55/12/559185512.db2.gz YYMRPVBDWHLUOB-HNNXBMFYSA-N 1 0 419.547 3.358 50 0 HGAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccccc1C(F)(F)F ZINC000011697789 559189737 /nfs/dbraw/zinc/18/97/37/559189737.db2.gz GFOSAKDGIOVUSA-UHFFFAOYSA-N 1 0 402.380 3.476 50 0 HGAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C ZINC000004938945 559211614 /nfs/dbraw/zinc/21/16/14/559211614.db2.gz WPHDYUBGDWPYSY-CALCHBBNSA-N 1 0 408.546 3.413 50 0 aggregator HGAARO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)o1 ZINC000005042702 559236122 /nfs/dbraw/zinc/23/61/22/559236122.db2.gz YHIWTDDHMMWVOV-UHFFFAOYSA-N 1 0 418.559 3.414 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12 ZINC000005067713 559240169 /nfs/dbraw/zinc/24/01/69/559240169.db2.gz XWRFYPXSZXZJPL-LJQANCHMSA-N 1 0 413.562 3.468 50 0 HGAARO CCOc1ccc2nc(N3CCC(C(=O)NCC[NH+](CC)CC)CC3)sc2c1 ZINC000005086012 559242910 /nfs/dbraw/zinc/24/29/10/559242910.db2.gz CPVHUMYVGAQFOE-UHFFFAOYSA-N 1 0 404.580 3.369 50 0 HGAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccsc2)n[nH]1 ZINC000409413125 559250405 /nfs/dbraw/zinc/25/04/05/559250405.db2.gz DBXANTGRDZMASA-UZLBHIALSA-N 1 0 402.564 3.491 50 0 HGAARO O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409413424 559250631 /nfs/dbraw/zinc/25/06/31/559250631.db2.gz APOCTQBTQNWTOI-NCNNEKRASA-N 1 0 418.541 3.300 50 0 HGAARO COCCN(C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccc(C)cc1)C(=O)COC ZINC000248075806 559261945 /nfs/dbraw/zinc/26/19/45/559261945.db2.gz IEUKMFGNDISNEL-UNMCSNQZSA-N 1 0 416.587 3.394 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000061997538 560565082 /nfs/dbraw/zinc/56/50/82/560565082.db2.gz MAJIMOBMGHQQSS-DHRDOYSISA-N 1 0 410.558 3.094 50 0 biogenic HGAARO COc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000005345588 560569918 /nfs/dbraw/zinc/56/99/18/560569918.db2.gz WNRFZXMNQLNTBW-NRFANRHFSA-N 1 0 422.481 3.307 50 0 HGAARO COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCC[NH+](C)C)c(=N)c32)cc1 ZINC000005348761 560571109 /nfs/dbraw/zinc/57/11/09/560571109.db2.gz HYIFZCLUNNDGSY-HXUWFJFHSA-N 1 0 406.486 3.314 50 0 HGAARO CC[NH+]1CCC(NC(=O)c2cc(Cl)c(I)cc2OC)CC1 ZINC000057992492 560735380 /nfs/dbraw/zinc/73/53/80/560735380.db2.gz GYVOCCUHWVGQII-UHFFFAOYSA-N 1 0 422.694 3.167 50 0 HGAARO COc1ccc(OCCN2CCN(C(=O)c3cccnc3SC(F)F)CC2)cc1 ZINC000018121278 560777697 /nfs/dbraw/zinc/77/76/97/560777697.db2.gz GXKBNKTWIGFCRF-UHFFFAOYSA-N 1 0 423.485 3.242 50 0 HGAARO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccccc21 ZINC000101181121 560788815 /nfs/dbraw/zinc/78/88/15/560788815.db2.gz QYKFPSKFNDXJHN-QPXQOZNCSA-N 1 0 421.884 3.080 50 0 HGAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000106136251 560884857 /nfs/dbraw/zinc/88/48/57/560884857.db2.gz PIMGUNZFOKZYQU-OWCLPIDISA-N 1 0 422.367 3.039 50 0 HGAARO C[NH+](C)C[C@@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[C@H](O)c1ccccc1 ZINC000048278418 568435795 /nfs/dbraw/zinc/43/57/95/568435795.db2.gz CMJOFTRJPPJZHU-DENIHFKCSA-N 1 0 411.550 3.105 50 0 HGAARO O=C1C[C@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000049772131 568453445 /nfs/dbraw/zinc/45/34/45/568453445.db2.gz YACGSFQFKLDZPH-ZDFPQIBNSA-N 1 0 420.900 3.302 50 0 HGAARO O=C(CS[C@@H]1CCc2ccccc2NC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012323297 568471422 /nfs/dbraw/zinc/47/14/22/568471422.db2.gz OHHKDFVGJYKEAI-JOCHJYFZSA-N 1 0 423.582 3.454 50 0 HGAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccc(CO)o4)C3)C2)c1OC ZINC000014978014 568517273 /nfs/dbraw/zinc/51/72/73/568517273.db2.gz JBPASXRHEUNCEX-HSZRJFAPSA-N 1 0 400.519 3.277 50 0 HGAARO C[NH+](C)Cc1cccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)c1 ZINC000095349801 568600706 /nfs/dbraw/zinc/60/07/06/568600706.db2.gz CCTGLBWJHIEKOC-OAQYLSRUSA-N 1 0 421.566 3.467 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411328 568605229 /nfs/dbraw/zinc/60/52/29/568605229.db2.gz WRMKBSBJQCLVBI-ZKNOEPHOSA-N 1 0 424.585 3.089 50 0 biogenic HGAARO CC[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)n1c2ccccc2c2cn[nH]c(=O)c21 ZINC000020416484 568606095 /nfs/dbraw/zinc/60/60/95/568606095.db2.gz RYUKCKMMZBZOQH-MBOZVWFJSA-N 1 0 423.561 3.313 50 0 HGAARO C[C@H]1C[C@@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000095408978 568606540 /nfs/dbraw/zinc/60/65/40/568606540.db2.gz RIQLCABSCOHFIC-FPOVZHCZSA-N 1 0 421.541 3.362 50 0 HGAARO CCC(=O)c1ccc(OCC(=O)Nc2cccc(CCN3CC[NH+](C)CC3)c2)cc1 ZINC000095457794 568618780 /nfs/dbraw/zinc/61/87/80/568618780.db2.gz MLPIYMINTQDUIX-UHFFFAOYSA-N 1 0 409.530 3.087 50 0 HGAARO CC[N@H+](CCC1CCN(C(=O)CNC(=O)NCc2ccc(F)cc2)CC1)CC(C)C ZINC000095459636 568619816 /nfs/dbraw/zinc/61/98/16/568619816.db2.gz VTNAIGNMCSBYMS-UHFFFAOYSA-N 1 0 420.573 3.232 50 0 HGAARO O=C(CCC(=O)N1CCSc2ccccc21)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000225448698 568638710 /nfs/dbraw/zinc/63/87/10/568638710.db2.gz CCCUCXBQQGEXPN-UHFFFAOYSA-N 1 0 424.570 3.081 50 0 HGAARO CC[NH+]1CCN([C@H](c2ccccc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098071 568665862 /nfs/dbraw/zinc/66/58/62/568665862.db2.gz RYLLGGAZTIEQES-HSZRJFAPSA-N 1 0 407.514 3.231 50 0 aggregator HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000012389556 568691932 /nfs/dbraw/zinc/69/19/32/568691932.db2.gz RDUBRJPPFZPBSB-SFHVURJKSA-N 1 0 411.933 3.474 50 0 HGAARO Cc1ccccc1Cn1cc(CCC(=O)NCCN2CC[NH+](C)CC2)c2ccccc21 ZINC000021527985 568709687 /nfs/dbraw/zinc/70/96/87/568709687.db2.gz CCWAYRVQVIIDLX-UHFFFAOYSA-N 1 0 418.585 3.294 50 0 HGAARO CCOC(=O)c1cnn(-c2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)c1C ZINC000229447501 568714284 /nfs/dbraw/zinc/71/42/84/568714284.db2.gz JXBGZMMNONHKPX-UXHICEINSA-N 1 0 411.506 3.106 50 0 HGAARO CCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000229631641 568714730 /nfs/dbraw/zinc/71/47/30/568714730.db2.gz DCXBKGOVZDHQPG-GUDVDZBRSA-N 1 0 403.567 3.078 50 0 HGAARO CC[NH+]1CCN(CC(=O)Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 ZINC000021659274 568735161 /nfs/dbraw/zinc/73/51/61/568735161.db2.gz JOSDKZJOSTWKFQ-UHFFFAOYSA-N 1 0 401.514 3.387 50 0 HGAARO CCOC(=O)C1=C(C[NH2+][C@H](C)CCc2ccccc2)NC(=O)N[C@H]1c1ccccc1 ZINC000085993826 568745127 /nfs/dbraw/zinc/74/51/27/568745127.db2.gz SLDFDPJKNPNUES-VGSWGCGISA-N 1 0 407.514 3.469 50 0 HGAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(Br)cc1F ZINC000021868450 568756056 /nfs/dbraw/zinc/75/60/56/568756056.db2.gz RHBPWBUUYHEHFA-UHFFFAOYSA-N 1 0 411.271 3.255 50 0 biogenic HGAARO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1ccsc1 ZINC000025328878 568763393 /nfs/dbraw/zinc/76/33/93/568763393.db2.gz YCUDPMPNNWOAER-LJQANCHMSA-N 1 0 410.543 3.217 50 0 HGAARO COc1ccc(N(CCC(N)=O)C(=O)CN(C)Cc2cccc(Cl)c2Cl)cc1 ZINC000022010564 568764336 /nfs/dbraw/zinc/76/43/36/568764336.db2.gz RGWAASBUWRKQOK-UHFFFAOYSA-N 1 0 424.328 3.342 50 0 HGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000299754450 568782189 /nfs/dbraw/zinc/78/21/89/568782189.db2.gz PYDXUZVLGDPNIJ-HKUYNNGSSA-N 1 0 410.518 3.184 50 0 biogenic HGAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000299754451 568782256 /nfs/dbraw/zinc/78/22/56/568782256.db2.gz PYDXUZVLGDPNIJ-IEBWSBKVSA-N 1 0 410.518 3.184 50 0 biogenic HGAARO Cc1cc(C)n(CCC[NH2+]C[C@H](O)COc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000002662637 568799585 /nfs/dbraw/zinc/79/95/85/568799585.db2.gz VXHJFVNXLDLQBY-QFIPXVFZSA-N 1 0 407.514 3.151 50 0 HGAARO COC(=O)[C@@H]1C(=O)O[C@]2(C)C[N@@H+](Cc3ccccc3)[C@@H](c3ccccc3OC)C[C@H]12 ZINC000230055496 568805310 /nfs/dbraw/zinc/80/53/10/568805310.db2.gz HEUNBANUVDXSGE-ISQLDUATSA-N 1 0 409.482 3.363 50 0 HGAARO CC(C)[C@H]([NH2+]CC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000057435050 568836605 /nfs/dbraw/zinc/83/66/05/568836605.db2.gz CBXSUIFJAOOKQN-QFIPXVFZSA-N 1 0 409.578 3.410 50 0 HGAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000230223578 568855883 /nfs/dbraw/zinc/85/58/83/568855883.db2.gz PIMGUNZFOKZYQU-PMPSAXMXSA-N 1 0 422.367 3.039 50 0 HGAARO CCNc1nc(NCC)[nH+]c(NNc2nc3sc4c(c3c(=O)s2)CCCC4)n1 ZINC000003219193 568862961 /nfs/dbraw/zinc/86/29/61/568862961.db2.gz BXJPSARFUQXKEQ-UHFFFAOYSA-N 1 0 418.552 3.084 50 0 HGAARO CC[NH+](CC)CCNC(=O)C[S@@](=O)Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000004034662 568879217 /nfs/dbraw/zinc/87/92/17/568879217.db2.gz VDOAZWOFFDIXEM-HHHXNRCGSA-N 1 0 411.955 3.010 50 0 HGAARO CCOC(=O)c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000015360765 568882092 /nfs/dbraw/zinc/88/20/92/568882092.db2.gz MWQMLEXRMCTRGE-UHFFFAOYSA-N 1 0 416.543 3.328 50 0 HGAARO Cc1nnc2c(NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)nc3ccccc3n12 ZINC000058137029 568890334 /nfs/dbraw/zinc/89/03/34/568890334.db2.gz ARHVHJZGSOOFOS-UHFFFAOYSA-N 1 0 421.936 3.473 50 0 HGAARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@H](O)Cn2c3ccccc3c3c2CCCC3)C1 ZINC000001323233 568914895 /nfs/dbraw/zinc/91/48/95/568914895.db2.gz ROTXKTSJRVHHQL-XUVXKRRUSA-N 1 0 417.553 3.162 50 0 biogenic HGAARO O=C(C[NH2+]Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000058445853 568919421 /nfs/dbraw/zinc/91/94/21/568919421.db2.gz VIUXMUPIJXKDIP-UHFFFAOYSA-N 1 0 421.950 3.243 50 0 HGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000015724278 568977643 /nfs/dbraw/zinc/97/76/43/568977643.db2.gz VPVMXVAORFYWFP-NRFANRHFSA-N 1 0 423.561 3.204 50 0 HGAARO O=C(CSc1nnnn1-c1ccccc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000008156415 568977966 /nfs/dbraw/zinc/97/79/66/568977966.db2.gz BXYGFLHSZHNVPV-UHFFFAOYSA-N 1 0 414.579 3.059 50 0 HGAARO O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008185991 568980525 /nfs/dbraw/zinc/98/05/25/568980525.db2.gz KXQBXTHDQYBFDQ-UHFFFAOYSA-N 1 0 413.481 3.271 50 0 HGAARO COc1cccc(-n2ccnc2SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000008342482 568993708 /nfs/dbraw/zinc/99/37/08/568993708.db2.gz QMBZJYRRLKULIK-HXUWFJFHSA-N 1 0 410.543 3.392 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000008343740 568994030 /nfs/dbraw/zinc/99/40/30/568994030.db2.gz QCTZGXAMRXUDJU-VQIMIIECSA-N 1 0 419.447 3.477 50 0 HGAARO CN1CCC([N@H+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000006083733 568996082 /nfs/dbraw/zinc/99/60/82/568996082.db2.gz QNHZXTRGJXXAGI-QFIPXVFZSA-N 1 0 404.501 3.458 50 0 HGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)c(F)c1 ZINC000104452469 569008731 /nfs/dbraw/zinc/00/87/31/569008731.db2.gz SEJLZCMKPILOPA-JOCHJYFZSA-N 1 0 424.520 3.089 50 0 HGAARO COc1cc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc(OC)c1 ZINC000104513478 569008892 /nfs/dbraw/zinc/00/88/92/569008892.db2.gz VZTBIYLJWIMUCY-OAQYLSRUSA-N 1 0 414.546 3.090 50 0 HGAARO C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012910523 569021464 /nfs/dbraw/zinc/02/14/64/569021464.db2.gz BIGXDZNUFPUCKL-HNNXBMFYSA-N 1 0 415.921 3.401 50 0 HGAARO Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCCC4)C3)nn2)cc1 ZINC000035398061 569035018 /nfs/dbraw/zinc/03/50/18/569035018.db2.gz DKFMZCVRBBRTER-OAQYLSRUSA-N 1 0 407.562 3.271 50 0 HGAARO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575616404 569036775 /nfs/dbraw/zinc/03/67/75/569036775.db2.gz JLQZCDMWWLSCSK-UHFFFAOYSA-N 1 0 408.511 3.297 50 0 HGAARO Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)NCC[NH+]4CCCCC4)C3)nc2)cc1 ZINC000035455123 569037882 /nfs/dbraw/zinc/03/78/82/569037882.db2.gz SDFCVQUYRXUHDS-NRFANRHFSA-N 1 0 407.562 3.271 50 0 HGAARO C[NH+](C)CCNC(=O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000006363854 569046013 /nfs/dbraw/zinc/04/60/13/569046013.db2.gz BDCTYTCNIRVWSR-DOTOQJQBSA-N 1 0 413.971 3.369 50 0 HGAARO c1cc2c(cc1-n1nnnc1C1([NH+]3CCCC3)C3CC4CC(C3)CC1C4)OCCO2 ZINC000035622363 569046563 /nfs/dbraw/zinc/04/65/63/569046563.db2.gz MWCLRLHCMIQFPL-UHFFFAOYSA-N 1 0 407.518 3.181 50 0 HGAARO COc1ccc([N+]2=C3COCCN3C[C@@]2(O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001779545 569052642 /nfs/dbraw/zinc/05/26/42/569052642.db2.gz UAJOZKOGEGOUJI-RUZDIDTESA-N 1 0 401.486 3.469 50 0 HGAARO Cc1nn(C)c(C)c1CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000239782607 569054546 /nfs/dbraw/zinc/05/45/46/569054546.db2.gz CPPBHCCTXOFCRT-RTBURBONSA-N 1 0 409.452 3.433 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccccc1 ZINC000006544287 569065017 /nfs/dbraw/zinc/06/50/17/569065017.db2.gz UZOZQIFPASEKRY-QFIPXVFZSA-N 1 0 412.493 3.418 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1ccccc1 ZINC000006544293 569065039 /nfs/dbraw/zinc/06/50/39/569065039.db2.gz UZOZQIFPASEKRY-JOCHJYFZSA-N 1 0 412.493 3.418 50 0 HGAARO CCc1ccc(CN2CCc3c(C(=O)N4CC[N@@H+]5CCC[C@H]5C4)csc3C2)nc1 ZINC000426428209 569072937 /nfs/dbraw/zinc/07/29/37/569072937.db2.gz CVIAXYSFQGJOEG-IBGZPJMESA-N 1 0 410.587 3.184 50 0 HGAARO CCC[N@@H+]1CC[C@H](NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 ZINC000426683799 569073788 /nfs/dbraw/zinc/07/37/88/569073788.db2.gz LBOBTQHPQWCXTD-INIZCTEOSA-N 1 0 402.564 3.125 50 0 HGAARO O=C(C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2=O)N1CCCCCC1 ZINC000426707423 569074009 /nfs/dbraw/zinc/07/40/09/569074009.db2.gz LNQRQQDQLYGXNA-QHCPKHFHSA-N 1 0 401.526 3.043 50 0 HGAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1 ZINC000036098500 569090811 /nfs/dbraw/zinc/09/08/11/569090811.db2.gz HJMOYUVBLFVWEI-IBGZPJMESA-N 1 0 415.486 3.130 50 0 HGAARO CCOc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000036344062 569142547 /nfs/dbraw/zinc/14/25/47/569142547.db2.gz VEOIGYQIADEOJJ-DEOSSOPVSA-N 1 0 420.557 3.401 50 0 HGAARO Cc1c(C(=O)NCC[N@H+]2CCCC[C@H]2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840745 569151527 /nfs/dbraw/zinc/15/15/27/569151527.db2.gz JBCAQHSIIBFDCD-CQSZACIVSA-N 1 0 402.564 3.097 50 0 HGAARO CC(C)C[NH+]1CCN(C(=O)c2cc3c(n2C)CCN(Cc2cccc(F)c2)C3)CC1 ZINC000065211121 569196312 /nfs/dbraw/zinc/19/63/12/569196312.db2.gz FOCOXNRPNKRQPH-UHFFFAOYSA-N 1 0 412.553 3.136 50 0 HGAARO O=C(c1nc(-c2ccnc(N3CCCCC3)c2)no1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065245919 569205449 /nfs/dbraw/zinc/20/54/49/569205449.db2.gz KEXUVKFCWLHMLC-UHFFFAOYSA-N 1 0 424.549 3.212 50 0 HGAARO O=S(=O)(c1cc(-c2nnc(C3CCC3)o2)co1)N1CCC([NH+]2CCCCC2)CC1 ZINC000065246677 569205698 /nfs/dbraw/zinc/20/56/98/569205698.db2.gz IDGMWHPMTIYNJC-UHFFFAOYSA-N 1 0 420.535 3.236 50 0 HGAARO O=C(Nc1ccc2c(c1)OCCO2)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065255886 569208089 /nfs/dbraw/zinc/20/80/89/569208089.db2.gz OTKNUSGXGANJGJ-HXUWFJFHSA-N 1 0 416.481 3.256 50 0 HGAARO O=C(Nc1ccc2c(c1)OCCO2)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256222 569208273 /nfs/dbraw/zinc/20/82/73/569208273.db2.gz SAWLSLMWLQCYRC-HXUWFJFHSA-N 1 0 416.481 3.256 50 0 HGAARO O=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCC[NH+]1CCCCCC1 ZINC000065274300 569215027 /nfs/dbraw/zinc/21/50/27/569215027.db2.gz ZBNGUDHWTQBKAF-UHFFFAOYSA-N 1 0 414.598 3.040 50 0 HGAARO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273157 569216072 /nfs/dbraw/zinc/21/60/72/569216072.db2.gz PFPOZMYQQLKNIL-GOSISDBHSA-N 1 0 417.619 3.471 50 0 HGAARO Cc1nc(CN(C)CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cs1 ZINC000065301488 569219506 /nfs/dbraw/zinc/21/95/06/569219506.db2.gz AJRZGEKUMVBVHB-IBGZPJMESA-N 1 0 406.983 3.490 50 0 HGAARO Cn1c(SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)nnc1-c1ccncc1 ZINC000007329624 569233746 /nfs/dbraw/zinc/23/37/46/569233746.db2.gz HCGJYVMDUSBVMJ-UHFFFAOYSA-N 1 0 408.531 3.204 50 0 HGAARO CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc12 ZINC000170613408 569246877 /nfs/dbraw/zinc/24/68/77/569246877.db2.gz SCXLHWYZRLQMFM-QUCCMNQESA-N 1 0 412.530 3.423 50 0 HGAARO CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc12 ZINC000170613406 569246909 /nfs/dbraw/zinc/24/69/09/569246909.db2.gz SCXLHWYZRLQMFM-ICSRJNTNSA-N 1 0 412.530 3.423 50 0 HGAARO O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613443 569246933 /nfs/dbraw/zinc/24/69/33/569246933.db2.gz SOZSZWOEIJUELM-VGSWGCGISA-N 1 0 424.541 3.431 50 0 HGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(I)c1 ZINC000014602427 569260487 /nfs/dbraw/zinc/26/04/87/569260487.db2.gz ZTINVCNTDPUGFZ-QGZVFWFLSA-N 1 0 406.267 3.296 50 0 HGAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000002118415 569284818 /nfs/dbraw/zinc/28/48/18/569284818.db2.gz SLICQNPSYDKJJL-NRFANRHFSA-N 1 0 409.486 3.160 50 0 biogenic HGAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(N2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000252499177 569291038 /nfs/dbraw/zinc/29/10/38/569291038.db2.gz RWQMGFBTGZRXMB-SFHVURJKSA-N 1 0 410.514 3.076 50 0 HGAARO COc1ccc(-n2c(=O)c3c4c(sc3n(CC[NH+](C)C)c2=O)CCCCC4)cc1 ZINC000002198016 569294782 /nfs/dbraw/zinc/29/47/82/569294782.db2.gz BPVXZWUPIQXOGD-UHFFFAOYSA-N 1 0 413.543 3.053 50 0 HGAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)CC4CCCC4)CC3)C2)CC1 ZINC000581820138 569320953 /nfs/dbraw/zinc/32/09/53/569320953.db2.gz UJVOSMAQRURRKD-QFIPXVFZSA-N 1 0 405.627 3.381 50 0 HGAARO Cc1csc2nc(C[NH2+][C@@H]3[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]3C)cc(=O)n12 ZINC000253417308 569367418 /nfs/dbraw/zinc/36/74/18/569367418.db2.gz FUZGSLRUGRWWST-RVSPLBMKSA-N 1 0 406.552 3.188 50 0 HGAARO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000253426285 569368335 /nfs/dbraw/zinc/36/83/35/569368335.db2.gz ZDFJQXJOIDWWKZ-UHFFFAOYSA-N 1 0 405.768 3.450 50 0 HGAARO CN(C(=O)CC[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000012386677 569381902 /nfs/dbraw/zinc/38/19/02/569381902.db2.gz AXJDKPZLUUGVAK-GOSISDBHSA-N 1 0 419.997 3.454 50 0 HGAARO CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000027676183 569389749 /nfs/dbraw/zinc/38/97/49/569389749.db2.gz ZCDKMYSGXMHQPD-CRAIPNDOSA-N 1 0 409.502 3.200 50 0 HGAARO COCCN(CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000079024577 569424668 /nfs/dbraw/zinc/42/46/68/569424668.db2.gz VBXPKKYANUBTPK-UYAOXDASSA-N 1 0 419.566 3.039 50 0 HGAARO CCOc1ccc(NC(=O)c2cnc(N3CCC([NH+]4CCCCC4)CC3)nc2N)cc1 ZINC000067336488 571080162 /nfs/dbraw/zinc/08/01/62/571080162.db2.gz YKQYUUVMBOYQKE-UHFFFAOYSA-N 1 0 424.549 3.165 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21 ZINC000008596595 571088000 /nfs/dbraw/zinc/08/80/00/571088000.db2.gz QDMGUGMUXJHMBS-QGZVFWFLSA-N 1 0 402.539 3.338 50 0 HGAARO C[C@H]([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 ZINC000039738441 571133946 /nfs/dbraw/zinc/13/39/46/571133946.db2.gz GCSGCLAYXMKOJF-JTSKRJEESA-N 1 0 418.603 3.174 50 0 HGAARO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000040024686 571139914 /nfs/dbraw/zinc/13/99/14/571139914.db2.gz JHWMHZFSSALMGJ-SFHVURJKSA-N 1 0 416.566 3.414 50 0 HGAARO O=C(NC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1)c1ccc(F)cc1 ZINC000040158154 571204678 /nfs/dbraw/zinc/20/46/78/571204678.db2.gz POUVVBPYZCIDEY-UHFFFAOYSA-N 1 0 409.505 3.456 50 0 HGAARO CC(C)(C)OC[C@H](O)C[NH+]1CCC(NC(=O)NCc2cccc3ccccc32)CC1 ZINC000244909801 571210420 /nfs/dbraw/zinc/21/04/20/571210420.db2.gz AWIJTDRZKATTHC-OAQYLSRUSA-N 1 0 413.562 3.279 50 0 HGAARO FC(F)(F)c1ccc(N2CCN(C3CC[NH+]([C@@H]4CCSC4)CC3)CC2)nc1 ZINC000244998800 571212129 /nfs/dbraw/zinc/21/21/29/571212129.db2.gz KTYCUWORLHQRTK-QGZVFWFLSA-N 1 0 400.514 3.192 50 0 HGAARO CCOc1ccc(N2C[C@@H](C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2=O)cc1 ZINC000245225262 571217706 /nfs/dbraw/zinc/21/77/06/571217706.db2.gz QXHIVMDJNHJBNT-MOPGFXCFSA-N 1 0 401.551 3.209 50 0 HGAARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000069569987 571230381 /nfs/dbraw/zinc/23/03/81/571230381.db2.gz LIYXUXZRZGUCII-HSZRJFAPSA-N 1 0 419.569 3.216 50 0 HGAARO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000069620799 571234546 /nfs/dbraw/zinc/23/45/46/571234546.db2.gz LWJKVCUKLNURFR-NRFANRHFSA-N 1 0 405.542 3.205 50 0 HGAARO C[NH+](C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2c(cc(F)cc2F)s1 ZINC000010066368 571294742 /nfs/dbraw/zinc/29/47/42/571294742.db2.gz ZUEOQVRZCXWWBS-MRXNPFEDSA-N 1 0 419.453 3.309 50 0 HGAARO Cn1nc2nc(NCC[NH+]3CCCCC3)nc(-c3ccc(F)c(Cl)c3)c2c1N ZINC000037360924 571317431 /nfs/dbraw/zinc/31/74/31/571317431.db2.gz FUSFUDDOEYCLNL-UHFFFAOYSA-N 1 0 403.893 3.303 50 0 HGAARO C[NH+](C)CC1CCN(c2ccc(NC(=O)/C=C\c3ccc(C(N)=O)cc3)cc2)CC1 ZINC000096035367 132227064 /nfs/dbraw/zinc/22/70/64/132227064.db2.gz NYABIUHISZTOQD-XGICHPGQSA-N 1 0 406.530 3.215 50 0 HGAARO CCCN1Cc2cccc(C(=O)Nc3ccc(N4CC[NH+](CC)CC4)cc3)c2C1=O ZINC000004056981 132270474 /nfs/dbraw/zinc/27/04/74/132270474.db2.gz HITDBRUWWSAXND-UHFFFAOYSA-N 1 0 406.530 3.447 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCN1C(=O)COc2ccc(C)cc21 ZINC000006751242 132314896 /nfs/dbraw/zinc/31/48/96/132314896.db2.gz GZCFCTYHVCLPKN-LJQANCHMSA-N 1 0 401.551 3.271 50 0 HGAARO Cc1nnc2c(NCCC[NH+]3CCN(c4ccccc4F)CC3)nc3ccccc3n12 ZINC000006781844 132316094 /nfs/dbraw/zinc/31/60/94/132316094.db2.gz ZMRRROJQEVKBCU-UHFFFAOYSA-N 1 0 419.508 3.349 50 0 HGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N1C[C@H](C)Oc2ccccc21 ZINC000006798320 132317224 /nfs/dbraw/zinc/31/72/24/132317224.db2.gz NTEYKFUGBCPPGP-OALUTQOASA-N 1 0 401.551 3.352 50 0 HGAARO COc1ccc([C@H](CNC(=O)N2CCN(c3ccccc3O)CC2)[NH+]2CCCC2)cc1 ZINC000008160286 132328105 /nfs/dbraw/zinc/32/81/05/132328105.db2.gz DLWJYTBHZSUCGK-QFIPXVFZSA-N 1 0 424.545 3.070 50 0 HGAARO C[C@H](Cc1ccsc1)[NH2+]C1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1 ZINC000011791439 132350735 /nfs/dbraw/zinc/35/07/35/132350735.db2.gz FVRCNVQFWXEACL-MRXNPFEDSA-N 1 0 422.620 3.156 50 0 HGAARO COc1cc(F)ccc1C[NH2+][C@@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 ZINC000012433192 132359910 /nfs/dbraw/zinc/35/99/10/132359910.db2.gz NWLWKDCMJHQADS-GOSISDBHSA-N 1 0 400.498 3.264 50 0 HGAARO C[C@H]1CCc2c(sc3ncnc(NCCC[NH+]4CCN(c5ncccn5)CC4)c23)C1 ZINC000012771663 132366900 /nfs/dbraw/zinc/36/69/00/132366900.db2.gz DWGCVUNPMJGYQU-INIZCTEOSA-N 1 0 423.590 3.230 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1Cl ZINC000032316534 520832257 /nfs/dbraw/zinc/83/22/57/520832257.db2.gz CDYMQLKLUROQGS-FQEVSTJZSA-N 1 0 405.970 3.488 50 0 HGAARO CC[NH+]1CCN(CCNc2cc(C)nc3c(-c4ccccc4OC)c(C)nn32)CC1 ZINC000020279812 521683853 /nfs/dbraw/zinc/68/38/53/521683853.db2.gz PAMUTBNACJBXSB-UHFFFAOYSA-N 1 0 408.550 3.071 50 0 HGAARO CC[NH+]1CCN(CCOc2ccc3cc(-c4ccc(OC)cc4)c(=O)oc3c2)CC1 ZINC000020573747 521684138 /nfs/dbraw/zinc/68/41/38/521684138.db2.gz QBVNJXQDSANOSJ-UHFFFAOYSA-N 1 0 408.498 3.485 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)cc2)CC1 ZINC000032736242 521699380 /nfs/dbraw/zinc/69/93/80/521699380.db2.gz JAWZWOPQBCMXRT-GOSISDBHSA-N 1 0 410.518 3.082 50 0 HGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1ccccc1Cl ZINC000020601485 521744993 /nfs/dbraw/zinc/74/49/93/521744993.db2.gz GSPOGXOXUUSESU-PXNSSMCTSA-N 1 0 407.892 3.487 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccs1 ZINC000044118143 522020858 /nfs/dbraw/zinc/02/08/58/522020858.db2.gz WVRRFTGFNPVVCE-DLBZAZTESA-N 1 0 402.520 3.290 50 0 HGAARO COc1ccc(-c2n[nH]cc2CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)cc1 ZINC000043135952 523182911 /nfs/dbraw/zinc/18/29/11/523182911.db2.gz GQEKMTJEVCMSGA-JOCHJYFZSA-N 1 0 406.530 3.154 50 0 HGAARO CCc1ccc([C@@H](CNC(=O)COc2ccc(N3CCCC3=O)cc2)[NH+](C)C)cc1 ZINC000032733938 524029920 /nfs/dbraw/zinc/02/99/20/524029920.db2.gz VLDHYTYMSHMQSM-JOCHJYFZSA-N 1 0 409.530 3.174 50 0 HGAARO C[NH+](C)C1(CNC(=O)Cc2csc(NC(=O)c3ccco3)n2)CCCCCC1 ZINC000032781044 524035573 /nfs/dbraw/zinc/03/55/73/524035573.db2.gz DZKRELPEAFICFC-UHFFFAOYSA-N 1 0 404.536 3.302 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2CCN(C(=O)C3CC3)CC2)C1 ZINC000048353704 524884522 /nfs/dbraw/zinc/88/45/22/524884522.db2.gz LKLDGJMYDREKQK-OALUTQOASA-N 1 0 411.590 3.429 50 0 HGAARO Cc1ccc(-n2cc3c(n2)NCCc2cnc(N4CC[NH+](CC(C)C)CC4)nc2-3)cc1 ZINC000032918694 525909794 /nfs/dbraw/zinc/90/97/94/525909794.db2.gz HNNGKSXTUDPXFI-UHFFFAOYSA-N 1 0 417.561 3.384 50 0 HGAARO Cc1cc(=O)c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)nn1-c1ccccc1Cl ZINC000032781294 526130486 /nfs/dbraw/zinc/13/04/86/526130486.db2.gz WSHBSQRXMDDHNV-SFHVURJKSA-N 1 0 410.905 3.227 50 0 HGAARO CSc1nc(C)c(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c(C)n1 ZINC000032740841 526212040 /nfs/dbraw/zinc/21/20/40/526212040.db2.gz XRBUEASACQRNSW-UHFFFAOYSA-N 1 0 413.591 3.447 50 0 HGAARO Cc1nc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)nn1-c1ccc(Cl)cc1 ZINC000032729820 526649644 /nfs/dbraw/zinc/64/96/44/526649644.db2.gz BLZXOUWZDNKXOQ-GOSISDBHSA-N 1 0 401.873 3.401 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(OC)cc2)C1=O ZINC000002197453 535549964 /nfs/dbraw/zinc/54/99/64/535549964.db2.gz PBEUJHKXZRRKLN-IPEVAPCJSA-N 1 0 405.498 3.297 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCC(=O)N2C[C@@H](C)Oc3ccccc32)C1 ZINC000015942055 557015962 /nfs/dbraw/zinc/01/59/62/557015962.db2.gz RKRQHGNWAYNPFJ-CEXWTWQISA-N 1 0 401.551 3.065 50 0 HGAARO Cc1c(C(=O)N(C)Cc2ccco2)nnn1-c1cccc2c1CC[N@H+](CC1CC1)C2 ZINC000071890401 557314872 /nfs/dbraw/zinc/31/48/72/557314872.db2.gz PZBVHGCZVBRVJN-UHFFFAOYSA-N 1 0 405.502 3.209 50 0 HGAARO CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3cc(C)ccc3F)co2)CC1 ZINC000034677347 557364980 /nfs/dbraw/zinc/36/49/80/557364980.db2.gz LAMJZTVTUFWTSQ-QGZVFWFLSA-N 1 0 418.513 3.043 50 0 HGAARO COc1cc(C[NH2+]CCSc2nnnn2C)cc(Cl)c1OCc1ccccc1 ZINC000004998057 557622903 /nfs/dbraw/zinc/62/29/03/557622903.db2.gz GDQJLMOGWURFDJ-UHFFFAOYSA-N 1 0 419.938 3.333 50 0 HGAARO COc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCc1ccc(Cl)cc1 ZINC000004998047 557622968 /nfs/dbraw/zinc/62/29/68/557622968.db2.gz JGFGMXKVGDYHHZ-UHFFFAOYSA-N 1 0 419.938 3.333 50 0 HGAARO COc1ccc(CCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000005060695 557632845 /nfs/dbraw/zinc/63/28/45/557632845.db2.gz CTNADTNIAYRAAC-UHFFFAOYSA-N 1 0 413.587 3.375 50 0 HGAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(Br)cc2)c2ccc(F)cc2)CC1 ZINC000022794823 557822353 /nfs/dbraw/zinc/82/23/53/557822353.db2.gz SCYHBWAPBOOEDU-IBGZPJMESA-N 1 0 420.326 3.307 50 0 HGAARO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000010312741 557859121 /nfs/dbraw/zinc/85/91/21/557859121.db2.gz VNVPSZYDZBWXDO-UHFFFAOYSA-N 1 0 410.301 3.302 50 0 HGAARO COC[C@H]1CC[N@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)C1 ZINC000011819913 558283410 /nfs/dbraw/zinc/28/34/10/558283410.db2.gz HQDWGQYFKLVOGE-SFHVURJKSA-N 1 0 412.559 3.179 50 0 HGAARO O=C(NCC[N@H+]1CCC[C@@H](O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000011874266 558291908 /nfs/dbraw/zinc/29/19/08/558291908.db2.gz OVWWZEACKPOGKE-HXUWFJFHSA-N 1 0 407.514 3.190 50 0 HGAARO COC(=O)CCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000011878709 558293055 /nfs/dbraw/zinc/29/30/55/558293055.db2.gz ADHCKOSWUGLWOI-QFIPXVFZSA-N 1 0 416.562 3.168 50 0 HGAARO COc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000019872260 558299750 /nfs/dbraw/zinc/29/97/50/558299750.db2.gz GQMIYGVQQKRZEE-UHFFFAOYSA-N 1 0 408.901 3.489 50 0 HGAARO Cc1ccc(Nc2nc(N)nc(CN3CC[NH+](CCc4ccccc4)CC3)n2)c(C)c1 ZINC000019899184 558304656 /nfs/dbraw/zinc/30/46/56/558304656.db2.gz LTKUDTJARFRTKU-UHFFFAOYSA-N 1 0 417.561 3.175 50 0 HGAARO CC(=O)CCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012093311 558324719 /nfs/dbraw/zinc/32/47/19/558324719.db2.gz RXYKDVBOPSZVLU-XMMPIXPASA-N 1 0 412.574 3.243 50 0 HGAARO COc1cccc(-n2c(CNC(=O)CC3CCCC3)nnc2SCC[NH+](C)C)c1 ZINC000012242696 558360957 /nfs/dbraw/zinc/36/09/57/558360957.db2.gz CORLWZGYDVDEKH-UHFFFAOYSA-N 1 0 417.579 3.126 50 0 HGAARO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@@H+](Cc2ccccc2C)CC3)c1 ZINC000020452904 558367071 /nfs/dbraw/zinc/36/70/71/558367071.db2.gz LBCKFTJFANNETE-SFHVURJKSA-N 1 0 419.529 3.144 50 0 HGAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H](O)c3cccnc3)CC2)c(OC)c1 ZINC000012300259 558370054 /nfs/dbraw/zinc/37/00/54/558370054.db2.gz XHGRWGMDONWYPZ-QHCPKHFHSA-N 1 0 408.502 3.435 50 0 HGAARO Cc1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)[nH]n1 ZINC000012302841 558372407 /nfs/dbraw/zinc/37/24/07/558372407.db2.gz BZFGKJDYQKDVKV-HSZRJFAPSA-N 1 0 422.573 3.219 50 0 HGAARO COc1cc(C(C)=O)ccc1OCCOCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020500178 558380728 /nfs/dbraw/zinc/38/07/28/558380728.db2.gz RPOFMTFFHDLXLJ-UHFFFAOYSA-N 1 0 412.530 3.111 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000012385904 558394732 /nfs/dbraw/zinc/39/47/32/558394732.db2.gz QCCHCOSDLBJZSU-UHFFFAOYSA-N 1 0 402.491 3.016 50 0 HGAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCN2CCOC2=O)cc1 ZINC000012430311 558405044 /nfs/dbraw/zinc/40/50/44/558405044.db2.gz MQFAEGGUHPEYDX-UHFFFAOYSA-N 1 0 410.449 3.229 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)[C@@H]2CCOC2)c1 ZINC000012439843 558411362 /nfs/dbraw/zinc/41/13/62/558411362.db2.gz MPKULUYQHBBLAF-GOSISDBHSA-N 1 0 402.535 3.342 50 0 HGAARO Cc1cccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)c1 ZINC000020780732 558412807 /nfs/dbraw/zinc/41/28/07/558412807.db2.gz MTTDZHVUJKFOJC-HXUWFJFHSA-N 1 0 417.557 3.455 50 0 HGAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCCN2CCOCC2)cc1 ZINC000020821236 558416850 /nfs/dbraw/zinc/41/68/50/558416850.db2.gz DZKLTOLVCYEKDR-UHFFFAOYSA-N 1 0 424.520 3.499 50 0 HGAARO CCc1c(C(=O)N(C)Cc2nc(C)cs2)c(=O)cc(C)n1C[C@H]1CCC[N@H+]1CC ZINC000012454977 558416926 /nfs/dbraw/zinc/41/69/26/558416926.db2.gz ORUROSIGRLQQGM-QGZVFWFLSA-N 1 0 416.591 3.241 50 0 HGAARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(C(=O)C3CCCC3)CC2)CC1 ZINC000012458797 558418432 /nfs/dbraw/zinc/41/84/32/558418432.db2.gz CXJQICWDAMWFFR-UHFFFAOYSA-N 1 0 411.590 3.239 50 0 HGAARO CSCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012472730 558422353 /nfs/dbraw/zinc/42/23/53/558422353.db2.gz MBXGYPYZHQKRPR-JOCHJYFZSA-N 1 0 402.604 3.236 50 0 HGAARO O=C(Nc1ccc(-n2cnnn2)cc1)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000012571681 558429404 /nfs/dbraw/zinc/42/94/04/558429404.db2.gz MIRYGDYQMYBSML-UHFFFAOYSA-N 1 0 413.485 3.061 50 0 HGAARO CCOC(=O)c1[nH]c(C[n+]2ccc(C(=O)c3ccccc3)cc2)c(C(=O)OCC)c1C ZINC000021224253 558434033 /nfs/dbraw/zinc/43/40/33/558434033.db2.gz CUJZNLOHZDDJPP-UHFFFAOYSA-O 1 0 421.473 3.243 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)c1cccs1 ZINC000021762971 558447924 /nfs/dbraw/zinc/44/79/24/558447924.db2.gz CMPRPOCHPKRHFF-IBGZPJMESA-N 1 0 418.522 3.480 50 0 HGAARO O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000012702922 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XBFRELWUKAWEQY-BHIFYINESA-N 1 0 421.585 3.418 50 0 HGAARO COc1ccc(NC(=O)CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(OC)c1 ZINC000023095811 558534075 /nfs/dbraw/zinc/53/40/75/558534075.db2.gz XZZKZGLZCZXPJK-UHFFFAOYSA-N 1 0 413.562 3.229 50 0 HGAARO COc1ccc([C@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)[NH+](C)C)cc1 ZINC000023178152 558540577 /nfs/dbraw/zinc/54/05/77/558540577.db2.gz NYYOSVUNJLESAM-KRWDZBQOSA-N 1 0 400.504 3.158 50 0 HGAARO O=C1CC[C@@H]([NH+]2CCN(Cc3cccs3)CC2)CCN1CCOc1ccccc1 ZINC000023373943 558554011 /nfs/dbraw/zinc/55/40/11/558554011.db2.gz WDYVXOZPXHQMLE-HXUWFJFHSA-N 1 0 413.587 3.326 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000013723943 558583493 /nfs/dbraw/zinc/58/34/93/558583493.db2.gz JFSUGZAYAXUPDW-HNNXBMFYSA-N 1 0 419.547 3.358 50 0 HGAARO COc1ccccc1[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)[NH+]1CCCC1 ZINC000024893379 558619324 /nfs/dbraw/zinc/61/93/24/558619324.db2.gz UIFZKTJNSIGSMV-AWEZNQCLSA-N 1 0 406.412 3.401 50 0 HGAARO 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Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)Cn2cccn2)CC1 ZINC000015063475 558706209 /nfs/dbraw/zinc/70/62/09/558706209.db2.gz HRSDJHRCQJKHHK-QHCPKHFHSA-N 1 0 410.562 3.111 50 0 HGAARO COc1ccc(C)cc1S(=O)(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004578121 558754472 /nfs/dbraw/zinc/75/44/72/558754472.db2.gz ASHYWCYXNRFKOF-UHFFFAOYSA-N 1 0 404.576 3.279 50 0 HGAARO COc1ccc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000016021878 558767549 /nfs/dbraw/zinc/76/75/49/558767549.db2.gz SRGJAYPBAXKOSF-QPFKGPCDSA-N 1 0 421.541 3.271 50 0 HGAARO C[NH+](C)CCCN(C(=O)CS(=O)(=O)c1ccccc1)c1nc2ccccc2s1 ZINC000004585335 558775988 /nfs/dbraw/zinc/77/59/88/558775988.db2.gz MQDGCTBFKRAGET-UHFFFAOYSA-N 1 0 417.556 3.055 50 0 HGAARO C[N@H+](Cc1ccccc1)CC(C)(C)CNCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000072309906 558778685 /nfs/dbraw/zinc/77/86/85/558778685.db2.gz HALCJLHCZAFPJQ-UHFFFAOYSA-N 1 0 423.605 3.031 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1 ZINC000016229426 558780106 /nfs/dbraw/zinc/78/01/06/558780106.db2.gz RWJILXURNBFVJT-GOSISDBHSA-N 1 0 424.570 3.146 50 0 HGAARO Cc1ccc(S(=O)(=O)N2CCN(CCCOc3ccccc3Cl)CC2)cc1 ZINC000034847945 558784651 /nfs/dbraw/zinc/78/46/51/558784651.db2.gz OFFGOOXHHGORKH-UHFFFAOYSA-N 1 0 408.951 3.424 50 0 HGAARO Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000071889487 558807996 /nfs/dbraw/zinc/80/79/96/558807996.db2.gz FMTGFDWIJHHXBI-UHFFFAOYSA-N 1 0 407.493 3.411 50 0 HGAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)[nH+]1 ZINC000017012207 558811647 /nfs/dbraw/zinc/81/16/47/558811647.db2.gz MQHPEESPEVEFKL-UHFFFAOYSA-N 1 0 401.461 3.016 50 0 HGAARO COc1cccc(N2CCC([N@@H+]3CCN(CCc4ccccc4)[C@H](CCO)C3)CC2)c1 ZINC000039430476 558821133 /nfs/dbraw/zinc/82/11/33/558821133.db2.gz RTLBXEILTLGVTR-RUZDIDTESA-N 1 0 423.601 3.275 50 0 HGAARO CCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c2)s1 ZINC000033022452 558837552 /nfs/dbraw/zinc/83/75/52/558837552.db2.gz PGBNIWXEDNSPBU-HNNXBMFYSA-N 1 0 415.563 3.347 50 0 HGAARO Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c2)s1 ZINC000033022605 558837889 /nfs/dbraw/zinc/83/78/89/558837889.db2.gz IEXIAUCNMPXZNB-AWEZNQCLSA-N 1 0 401.536 3.093 50 0 HGAARO CC(C)[N@H+](CCCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C1CCCCC1 ZINC000033077195 558868426 /nfs/dbraw/zinc/86/84/26/558868426.db2.gz GTPOHBOTMZCOLK-UHFFFAOYSA-N 1 0 405.564 3.240 50 0 HGAARO CN(C)c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000055153684 558874123 /nfs/dbraw/zinc/87/41/23/558874123.db2.gz NIOOESFUAGVCEU-HSZRJFAPSA-N 1 0 410.537 3.319 50 0 HGAARO CC(=O)Nc1cccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)c1 ZINC000055166094 558874762 /nfs/dbraw/zinc/87/47/62/558874762.db2.gz QYZQLELOBXQGOV-QHCPKHFHSA-N 1 0 420.557 3.380 50 0 HGAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccccc3OCCO)C2)cc1 ZINC000055271057 558878152 /nfs/dbraw/zinc/87/81/52/558878152.db2.gz UCSATZJODPQPHG-QFIPXVFZSA-N 1 0 412.574 3.453 50 0 HGAARO O=C(NCc1ccccc1CN1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057137540 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O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccc(Br)cc1 ZINC000065363159 558974106 /nfs/dbraw/zinc/97/41/06/558974106.db2.gz DMDRPFQHDCCPDZ-UHFFFAOYSA-N 1 0 413.279 3.220 50 0 HGAARO Cc1ccc([C@@H](NC(=O)CCc2cc3n(n2)CCC[NH2+]C3)c2cccnc2)cc1C ZINC000072423102 558978618 /nfs/dbraw/zinc/97/86/18/558978618.db2.gz MGORTPMWOCTABL-XMMPIXPASA-N 1 0 403.530 3.227 50 0 HGAARO CCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2ccsc2n1 ZINC000033068983 558980749 /nfs/dbraw/zinc/98/07/49/558980749.db2.gz VKPRSXGNJREYFT-UHFFFAOYSA-N 1 0 403.504 3.194 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3nc(-c4ccncc4)no3)cc2C)CC1 ZINC000022320330 558987896 /nfs/dbraw/zinc/98/78/96/558987896.db2.gz NHCSQZCFNVGBPT-UHFFFAOYSA-N 1 0 420.517 3.153 50 0 HGAARO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000097034451 558988225 /nfs/dbraw/zinc/98/82/25/558988225.db2.gz SXKQPZSVQNNKSE-MSYCTHLASA-N 1 0 415.603 3.498 50 0 HGAARO Cc1cccc(-c2ccc(C[N@@H+]3CC[C@@H](NC(=O)c4ccncc4)[C@H](O)C3)cc2)c1 ZINC000077302832 559000974 /nfs/dbraw/zinc/00/09/74/559000974.db2.gz VANOQAJLCBZATA-DNQXCXABSA-N 1 0 401.510 3.422 50 0 HGAARO COc1cc2cc(C[N@H+](C)C[C@@H](O)CO)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000077505934 559007723 /nfs/dbraw/zinc/00/77/23/559007723.db2.gz HEDWCHSKLFNNDV-GOSISDBHSA-N 1 0 416.905 3.357 50 0 HGAARO COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127453 559015849 /nfs/dbraw/zinc/01/58/49/559015849.db2.gz AKSJAWDYVMPFBR-UHFFFAOYSA-N 1 0 415.921 3.316 50 0 HGAARO COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c(F)c1 ZINC000082097415 559037468 /nfs/dbraw/zinc/03/74/68/559037468.db2.gz PNGUXZGKWLUHEG-QFIPXVFZSA-N 1 0 400.498 3.005 50 0 HGAARO CN(Cc1cccs1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082097362 559037602 /nfs/dbraw/zinc/03/76/02/559037602.db2.gz DVDCDRMPAFJXRV-FQEVSTJZSA-N 1 0 412.603 3.478 50 0 HGAARO Cc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082134666 559040020 /nfs/dbraw/zinc/04/00/20/559040020.db2.gz JDMSVLLIPXQLPD-OAQYLSRUSA-N 1 0 410.562 3.018 50 0 HGAARO Cc1cc(N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)nc2ccc(Cl)cc12 ZINC000091587260 559072334 /nfs/dbraw/zinc/07/23/34/559072334.db2.gz BNJLBSJVACXVEV-UTKZUKDTSA-N 1 0 403.954 3.496 50 0 HGAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1ncnc3ccsc31)C2 ZINC000095361662 559080071 /nfs/dbraw/zinc/08/00/71/559080071.db2.gz RVATTWLEMYUPNT-LZJOCLMNSA-N 1 0 402.564 3.035 50 0 HGAARO c1ccc2nc(N3C[C@@H](c4ccc5c(c4)OCO5)[C@@H]4[C@H]3C3CC[NH+]4CC3)cnc2c1 ZINC000095373722 559080370 /nfs/dbraw/zinc/08/03/70/559080370.db2.gz LAVOBQBJCGOKPR-PKKBDPGCSA-N 1 0 400.482 3.425 50 0 HGAARO Cc1nc(CN(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)no1 ZINC000095523623 559085647 /nfs/dbraw/zinc/08/56/47/559085647.db2.gz IESGDADYBIOZJC-HXUWFJFHSA-N 1 0 402.514 3.410 50 0 HGAARO COc1ccc(C(=O)N[C@H](C)c2nc(C)c[nH]2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095525427 559085998 /nfs/dbraw/zinc/08/59/98/559085998.db2.gz BNXMSMDGFGFJQM-MRXNPFEDSA-N 1 0 400.523 3.469 50 0 HGAARO CCOc1cc(C[NH2+]C[C@@H]2CCCN2CC)ccc1Oc1nnnn1-c1ccccc1 ZINC000096319053 559109940 /nfs/dbraw/zinc/10/99/40/559109940.db2.gz LOGLACYTPGZRNM-FQEVSTJZSA-N 1 0 422.533 3.427 50 0 HGAARO CC(C)[NH+](CCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(C)C ZINC000011595284 559112828 /nfs/dbraw/zinc/11/28/28/559112828.db2.gz LXJQYIRTODMVDT-UHFFFAOYSA-N 1 0 404.580 3.031 50 0 HGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1C1Cc2ccccc2C1 ZINC000023362116 559173237 /nfs/dbraw/zinc/17/32/37/559173237.db2.gz SIGWDVFQFCBLEI-RXVVDRJESA-N 1 0 417.475 3.151 50 0 HGAARO c1nc2nc(-c3ccccc3)cc(NCCN3CC[NH+](Cc4ccccc4)CC3)n2n1 ZINC000023428839 559174341 /nfs/dbraw/zinc/17/43/41/559174341.db2.gz ZYGXPSPVZYODBO-UHFFFAOYSA-N 1 0 413.529 3.021 50 0 HGAARO O=S(=O)(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000225574157 559189565 /nfs/dbraw/zinc/18/95/65/559189565.db2.gz PJURXXKJXGNCQE-CQSZACIVSA-N 1 0 424.510 3.081 50 0 HGAARO CCC[NH+](CCC)CCCNC(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12 ZINC000004874678 559195147 /nfs/dbraw/zinc/19/51/47/559195147.db2.gz LQOZMBVJDWDELG-UHFFFAOYSA-N 1 0 417.550 3.281 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CSc1cc(=O)n(C)c2ccccc12 ZINC000005007906 559226882 /nfs/dbraw/zinc/22/68/82/559226882.db2.gz XZVMUXWJQACUDK-QGZVFWFLSA-N 1 0 401.576 3.401 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCN(c2cnccn2)C1 ZINC000248087767 559262046 /nfs/dbraw/zinc/26/20/46/559262046.db2.gz KPIAYDSUOSVHKF-KNQAVFIVSA-N 1 0 407.562 3.384 50 0 HGAARO COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCCC2)n3C)cc1 ZINC000005205384 560539160 /nfs/dbraw/zinc/53/91/60/560539160.db2.gz JJOMGIFDRQCIIO-UHFFFAOYSA-N 1 0 408.502 3.238 50 0 HGAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccccc2F)N(CCC[NH+](C)C)C1=O ZINC000005345694 560570006 /nfs/dbraw/zinc/57/00/06/560570006.db2.gz ADOXXQRJSCSICC-FQEVSTJZSA-N 1 0 410.445 3.438 50 0 HGAARO COc1ccccc1[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CS2)[NH+]1CCCC1 ZINC000017793856 560728349 /nfs/dbraw/zinc/72/83/49/560728349.db2.gz SBNPJMPVVFWVDC-SFHVURJKSA-N 1 0 411.527 3.306 50 0 HGAARO COc1ccc([C@H](CNC(=O)CNC(=O)c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000017911791 560730516 /nfs/dbraw/zinc/73/05/16/560730516.db2.gz YVYDHSGVSFRUET-FQEVSTJZSA-N 1 0 415.921 3.032 50 0 HGAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101341862 560793165 /nfs/dbraw/zinc/79/31/65/560793165.db2.gz ZZFPRVRWYARAIA-NAZDKBRTSA-N 1 0 415.493 3.043 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000102469758 568418084 /nfs/dbraw/zinc/41/80/84/568418084.db2.gz NSFVCQRQGUFABE-RCCFBDPRSA-N 1 0 407.580 3.084 50 0 HGAARO CC(C)C[NH+]1CCC(NC(=O)c2ccc(F)cc2I)CC1 ZINC000047852348 568431377 /nfs/dbraw/zinc/43/13/77/568431377.db2.gz CDAGKQWQOVUSIF-UHFFFAOYSA-N 1 0 404.267 3.281 50 0 HGAARO O=C(Nc1ccc(F)cc1)NC1CC[NH+](CCCc2nnnn2-c2ccccc2)CC1 ZINC000048232211 568433437 /nfs/dbraw/zinc/43/34/37/568433437.db2.gz VSAUJESMWHEAFQ-UHFFFAOYSA-N 1 0 423.496 3.020 50 0 HGAARO CCOC(=O)c1ccc(S(=O)(=O)N(CC[NH+](CC)CC)Cc2cccs2)cc1 ZINC000048374777 568442654 /nfs/dbraw/zinc/44/26/54/568442654.db2.gz AZIZJXVEWPQOSX-UHFFFAOYSA-N 1 0 424.588 3.458 50 0 HGAARO O=C1C[C@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000049581143 568452853 /nfs/dbraw/zinc/45/28/53/568452853.db2.gz NBBYHVVEXVSNGZ-YJMBLLCNSA-N 1 0 420.900 3.302 50 0 HGAARO FC(F)(F)c1ccc(-c2noc(CN3CCC[C@H](C[NH+]4CCOCC4)C3)n2)cc1 ZINC000006678571 568457292 /nfs/dbraw/zinc/45/72/92/568457292.db2.gz VFQGZIAZHIRPPQ-OAHLLOKOSA-N 1 0 410.440 3.300 50 0 HGAARO CN1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)[C@H](c2ccccc2)C1 ZINC000024838984 568470688 /nfs/dbraw/zinc/47/06/88/568470688.db2.gz DGFUJRHSNXVMCR-QFIPXVFZSA-N 1 0 416.525 3.252 50 0 HGAARO C=CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000261489598 568512225 /nfs/dbraw/zinc/51/22/25/568512225.db2.gz YPZMULKUINXMRG-XUZZJYLKSA-N 1 0 421.541 3.310 50 0 HGAARO CCOC(=O)C1=C(C[NH2+]CCc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020283118 568596744 /nfs/dbraw/zinc/59/67/44/568596744.db2.gz YQMGEGVFZQMBOJ-HXUWFJFHSA-N 1 0 413.905 3.343 50 0 HGAARO C[C@@H]1C[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000095408975 568606530 /nfs/dbraw/zinc/60/65/30/568606530.db2.gz RIQLCABSCOHFIC-TZIWHRDSSA-N 1 0 421.541 3.362 50 0 HGAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CCC(O)CC2)c(F)c1 ZINC000020450265 568608659 /nfs/dbraw/zinc/60/86/59/568608659.db2.gz ZBXJXDGNSUICKA-UHFFFAOYSA-N 1 0 424.520 3.233 50 0 HGAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1OC ZINC000095430423 568608844 /nfs/dbraw/zinc/60/88/44/568608844.db2.gz YKYKVLUQAXRWQU-UHFFFAOYSA-N 1 0 424.501 3.089 50 0 HGAARO CC[N@H+](CCC1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1)CC(C)C ZINC000095459631 568619865 /nfs/dbraw/zinc/61/98/65/568619865.db2.gz NBUQIWBALLSPHG-SFTDATJTSA-N 1 0 419.610 3.158 50 0 HGAARO CCCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000020677544 568639748 /nfs/dbraw/zinc/63/97/48/568639748.db2.gz QNXOFJLNTKNWPP-UHFFFAOYSA-N 1 0 421.545 3.455 50 0 HGAARO CCC[NH+]1CCN(C(=O)c2cn(-c3cccc(OC)c3)c(=O)c3ccccc23)CC1 ZINC000020904514 568650565 /nfs/dbraw/zinc/65/05/65/568650565.db2.gz IGLVWKHDKJJDTQ-UHFFFAOYSA-N 1 0 405.498 3.167 50 0 HGAARO O=S(=O)(NCC1CC[NH+](Cc2ccsc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000096025841 568686452 /nfs/dbraw/zinc/68/64/52/568686452.db2.gz WGCRRTVECYMLPJ-UHFFFAOYSA-N 1 0 422.572 3.100 50 0 HGAARO CCc1cc(N(CC)CC)nc(SCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000096211153 568704749 /nfs/dbraw/zinc/70/47/49/568704749.db2.gz UUYJBOQTCUYBKU-UHFFFAOYSA-N 1 0 415.607 3.469 50 0 HGAARO COc1ccc([C@@H](CN2CC[NH+](C)CC2)NC(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000096315837 568725779 /nfs/dbraw/zinc/72/57/79/568725779.db2.gz SVYKKMVDIZSBGJ-KFRSGLOMSA-N 1 0 413.949 3.467 50 0 HGAARO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)c1cn(Cc2ccccc2F)nn1 ZINC000015064720 568748807 /nfs/dbraw/zinc/74/88/07/568748807.db2.gz MMZAJZHEKAXYNZ-UHFFFAOYSA-N 1 0 421.520 3.150 50 0 HGAARO CC[NH+]1CCN(CCCNc2ncnc3onc(-c4cccc(Cl)c4)c32)CC1 ZINC000021714528 568748840 /nfs/dbraw/zinc/74/88/40/568748840.db2.gz KRANQIIYWHDVKZ-UHFFFAOYSA-N 1 0 400.914 3.378 50 0 HGAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000021868578 568756061 /nfs/dbraw/zinc/75/60/61/568756061.db2.gz GBZXFVPLPWYPGM-UHFFFAOYSA-N 1 0 408.882 3.024 50 0 biogenic HGAARO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000096593071 568763327 /nfs/dbraw/zinc/76/33/27/568763327.db2.gz FEAMZJKALXCEPB-OILJVOJPSA-N 1 0 405.542 3.358 50 0 HGAARO CN1c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097077459 568767292 /nfs/dbraw/zinc/76/72/92/568767292.db2.gz VTFFVDBTVSQNDF-QFIPXVFZSA-N 1 0 410.562 3.179 50 0 HGAARO Fc1ccccc1Nc1nc2nonc2nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000055364295 568772375 /nfs/dbraw/zinc/77/23/75/568772375.db2.gz FVHYRFJQYXPFAZ-UHFFFAOYSA-N 1 0 405.437 3.218 50 0 HGAARO CC(C)Cn1cc(C(=O)NCCC[NH+]2CCCC2)c2c3ccccc3n(C)c2c1=O ZINC000002466249 568772594 /nfs/dbraw/zinc/77/25/94/568772594.db2.gz QUXVBOLGIRBIRB-UHFFFAOYSA-N 1 0 408.546 3.365 50 0 HGAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1-n1cnc2ccccc2c1=O ZINC000299754388 568782209 /nfs/dbraw/zinc/78/22/09/568782209.db2.gz FZXYMWKDMRGFDF-GCJKJVERSA-N 1 0 416.525 3.380 50 0 biogenic HGAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C)c(NS(C)(=O)=O)c3)CC2)cc1 ZINC000029092288 568819133 /nfs/dbraw/zinc/81/91/33/568819133.db2.gz KWAJPYSZAYQVIT-UHFFFAOYSA-N 1 0 415.559 3.023 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)NC(=O)[C@H](N1CCCCC1)S2 ZINC000002941245 568819408 /nfs/dbraw/zinc/81/94/08/568819408.db2.gz CCYUYNFVZAAEDA-JOCHJYFZSA-N 1 0 416.591 3.149 50 0 HGAARO CCCC[N@H+](CC)CCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000002944001 568819761 /nfs/dbraw/zinc/81/97/61/568819761.db2.gz BTUOMXBSAMEJHB-UHFFFAOYSA-N 1 0 422.529 3.246 50 0 HGAARO O=C(Nc1ccccc1O)C1CC[NH+]([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 ZINC000057289827 568825838 /nfs/dbraw/zinc/82/58/38/568825838.db2.gz YLHZQUDGBCWUFU-JOCHJYFZSA-N 1 0 407.514 3.406 50 0 HGAARO COC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057414192 568833362 /nfs/dbraw/zinc/83/33/62/568833362.db2.gz USYQTEPNQGYTFN-QHCPKHFHSA-N 1 0 419.525 3.422 50 0 HGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000230142938 568852411 /nfs/dbraw/zinc/85/24/11/568852411.db2.gz HRXDSFDFJZJLED-DOXZYTNZSA-N 1 0 407.917 3.213 50 0 biogenic HGAARO CCOC(=O)/C(=C\c1c(C)onc1-c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000230169355 568853605 /nfs/dbraw/zinc/85/36/05/568853605.db2.gz CKLFUIAYIPVGTP-SSZFMOIBSA-N 1 0 403.910 3.497 50 0 HGAARO Cc1c([N+]2=C3CCCCCN3C[C@@]2(O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000003196401 568861084 /nfs/dbraw/zinc/86/10/84/568861084.db2.gz UVEKHWYHXJFFLR-RUZDIDTESA-N 1 0 417.533 3.135 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)N(C)Cc3ccc(C(=O)NC)cc3)cc2C)CC1 ZINC000057861446 568864261 /nfs/dbraw/zinc/86/42/61/568864261.db2.gz JTKJASUGGPPTNN-UHFFFAOYSA-N 1 0 423.561 3.160 50 0 HGAARO CC(=O)OCCCCN1N=[N+](c2ccc(C)cc2)C(=O)C1C(=O)Nc1ccc(C)cc1 ZINC000003765426 568868093 /nfs/dbraw/zinc/86/80/93/568868093.db2.gz VRDBDIXHKCDHHN-UHFFFAOYSA-O 1 0 423.493 3.078 50 0 HGAARO CN(Cc1ccon1)Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000012612831 568871740 /nfs/dbraw/zinc/87/17/40/568871740.db2.gz KUBNZQAZINIPSB-HSZRJFAPSA-N 1 0 407.514 3.105 50 0 HGAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000057992084 568873032 /nfs/dbraw/zinc/87/30/32/568873032.db2.gz RKQZVYFIUMOCFC-KDLAUNOPSA-N 1 0 419.481 3.134 50 0 biogenic HGAARO CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000003290525 568873572 /nfs/dbraw/zinc/87/35/72/568873572.db2.gz JTVNYAMWDNPQQZ-QUCCMNQESA-N 1 0 403.473 3.138 50 0 HGAARO O=C(NCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)c1ccccc1Cl ZINC000299791274 568875849 /nfs/dbraw/zinc/87/58/49/568875849.db2.gz CWQCXJJEXKJJPK-TYPHKJRUSA-N 1 0 411.933 3.412 50 0 HGAARO Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1cccc(C[NH+]3CCSCC3)c1)C2=O ZINC000058114090 568887891 /nfs/dbraw/zinc/88/78/91/568887891.db2.gz QWUNSRSHVGKGBS-UHFFFAOYSA-N 1 0 423.538 3.169 50 0 HGAARO COc1ccc(CC[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1OC ZINC000003401611 568896735 /nfs/dbraw/zinc/89/67/35/568896735.db2.gz UTIORZKNJBFTDB-INIZCTEOSA-N 1 0 410.308 3.038 50 0 HGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000003504277 568910691 /nfs/dbraw/zinc/91/06/91/568910691.db2.gz JPLQYUUFHCUUDC-DLBZAZTESA-N 1 0 401.532 3.289 50 0 HGAARO COc1c2occc2c(OC)c2c(=O)cc(C(=O)NCCC3CC[NH+](C)CC3)oc12 ZINC000670448646 568920002 /nfs/dbraw/zinc/92/00/02/568920002.db2.gz MCTNDSHKOLGXDO-UHFFFAOYSA-N 1 0 414.458 3.018 50 0 HGAARO CCOC(=O)c1csc(N2[NH2+]C(C=Cc3ccco3)=C[C@]2(O)C(F)(F)F)n1 ZINC000001411801 568931383 /nfs/dbraw/zinc/93/13/83/568931383.db2.gz JZHRPROKUYABGS-NFAHFFEMSA-N 1 0 401.366 3.443 50 0 HGAARO CC(C)Nc1nnc(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000012757468 568943293 /nfs/dbraw/zinc/94/32/93/568943293.db2.gz UJAMDVJQIVNCJT-UHFFFAOYSA-N 1 0 405.593 3.231 50 0 HGAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 ZINC000004117029 568944349 /nfs/dbraw/zinc/94/43/49/568944349.db2.gz JMLLLESUVFUMJN-VAWYXSNFSA-N 1 0 415.515 3.305 50 0 HGAARO COc1cccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)[NH+]2CCCC2)c1 ZINC000012789055 568960714 /nfs/dbraw/zinc/96/07/14/568960714.db2.gz XANMSWZUNXRGOP-NZQKXSOJSA-N 1 0 421.541 3.310 50 0 HGAARO CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000008254280 568985448 /nfs/dbraw/zinc/98/54/48/568985448.db2.gz LOTOVNLGYVCQDH-NRFANRHFSA-N 1 0 422.481 3.394 50 0 HGAARO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015773278 568998780 /nfs/dbraw/zinc/99/87/80/568998780.db2.gz SNCVDCYHYOBZCH-RUZDIDTESA-N 1 0 419.569 3.425 50 0 HGAARO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015773330 568998987 /nfs/dbraw/zinc/99/89/87/568998987.db2.gz FRZPOGFYPZTOPK-DEOSSOPVSA-N 1 0 405.542 3.035 50 0 HGAARO CCn1c(C)cc(O)c([C@H](c2ccccc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000038545817 568999499 /nfs/dbraw/zinc/99/94/99/568999499.db2.gz KAICYADTURPSCR-QHCPKHFHSA-N 1 0 404.514 3.189 50 0 HGAARO CC(=O)c1ccc(NC(=O)CCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012823524 569007318 /nfs/dbraw/zinc/00/73/18/569007318.db2.gz BIZBADPOHWSOAF-UHFFFAOYSA-N 1 0 420.435 3.454 50 0 HGAARO O=C(NCC1CC[NH+](CCc2ccc(F)cc2)CC1)N[C@H]1COc2ccccc2C1 ZINC000015787349 569007852 /nfs/dbraw/zinc/00/78/52/569007852.db2.gz AHDMQENBIQRSFD-JOCHJYFZSA-N 1 0 411.521 3.383 50 0 HGAARO CC(C)Oc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000104384717 569008570 /nfs/dbraw/zinc/00/85/70/569008570.db2.gz CPPJXMWCXFGICL-HSZRJFAPSA-N 1 0 403.611 3.215 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(NC(C)=O)cc3)C[C@H]2CCO)cc1C ZINC000104405980 569008581 /nfs/dbraw/zinc/00/85/81/569008581.db2.gz ZNQBMCRUPKJFPQ-HSZRJFAPSA-N 1 0 411.546 3.031 50 0 HGAARO C[C@H]([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012904914 569021163 /nfs/dbraw/zinc/02/11/63/569021163.db2.gz NYUTYECZKXFKIT-JTSKRJEESA-N 1 0 414.571 3.449 50 0 HGAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000012912273 569021878 /nfs/dbraw/zinc/02/18/78/569021878.db2.gz OVLKRBIZQIAQOJ-JOCHJYFZSA-N 1 0 408.546 3.356 50 0 HGAARO COc1cccc([C@H](CNC(=O)N2CCc3cc(OC)c(OC)cc3C2)[NH+](C)C)c1 ZINC000053539897 569031404 /nfs/dbraw/zinc/03/14/04/569031404.db2.gz UTGDQGPVGQATPM-FQEVSTJZSA-N 1 0 413.518 3.083 50 0 HGAARO Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCC[NH+]3CCCCC3)C2)nn1 ZINC000035398002 569035042 /nfs/dbraw/zinc/03/50/42/569035042.db2.gz SWYRECDFYGAFTD-FQEVSTJZSA-N 1 0 407.562 3.271 50 0 HGAARO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC000035398584 569035207 /nfs/dbraw/zinc/03/52/07/569035207.db2.gz ZWRKMLOESNSRFT-UHFFFAOYSA-N 1 0 411.525 3.101 50 0 HGAARO CSCC[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@@]2([NH2+]1)c1ccccc1N(C)C2=O ZINC000227305941 569039986 /nfs/dbraw/zinc/03/99/86/569039986.db2.gz APWAKIVXOCBAOL-NRJQMVOHSA-N 1 0 413.518 3.367 50 0 HGAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000228304429 569040215 /nfs/dbraw/zinc/04/02/15/569040215.db2.gz QFUNEIXGZALZOI-GHTZIAJQSA-N 1 0 404.518 3.072 50 0 HGAARO c1ccc(Cn2c3ccccc3nc2CN2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000035598349 569045882 /nfs/dbraw/zinc/04/58/82/569045882.db2.gz WODXOQKJROZLQA-UHFFFAOYSA-N 1 0 403.574 3.298 50 0 HGAARO C[NH+](C)CCNC(=O)[C@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000006363857 569045996 /nfs/dbraw/zinc/04/59/96/569045996.db2.gz BDCTYTCNIRVWSR-WBVHZDCISA-N 1 0 413.971 3.369 50 0 HGAARO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H](C)NC(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000040086997 569048077 /nfs/dbraw/zinc/04/80/77/569048077.db2.gz KHAYMRJBLBCRSE-ARKBFRDHSA-N 1 0 405.542 3.247 50 0 HGAARO CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000462257833 569052901 /nfs/dbraw/zinc/05/29/01/569052901.db2.gz JPYYPXAXVLDHOX-OXQOHEQNSA-N 1 0 401.532 3.122 50 0 HGAARO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000241124150 569054723 /nfs/dbraw/zinc/05/47/23/569054723.db2.gz JFZHDBFDNUFDAW-OEWRPIJISA-N 1 0 414.571 3.319 50 0 HGAARO C[NH+](C)CCNc1nc2nn(-c3cccc(F)c3)c(N)c2c(-c2ccc(F)cc2)n1 ZINC000035930137 569066699 /nfs/dbraw/zinc/06/66/99/569066699.db2.gz OQKMCJURBUOOAI-UHFFFAOYSA-N 1 0 409.444 3.316 50 0 HGAARO CCc1ccc(CN2CCc3c(C(=O)NC(C)(C)C[NH+](C)C)csc3C2)nc1 ZINC000426582866 569073533 /nfs/dbraw/zinc/07/35/33/569073533.db2.gz RHYSAAQEZHGAAE-UHFFFAOYSA-N 1 0 400.592 3.334 50 0 HGAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1 ZINC000006647185 569079436 /nfs/dbraw/zinc/07/94/36/569079436.db2.gz MKERVCMURMFXTI-UHFFFAOYSA-N 1 0 405.502 3.196 50 0 HGAARO CC[C@H](C(=O)NCCC[NH+]1CCCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787507 569094202 /nfs/dbraw/zinc/09/42/02/569094202.db2.gz HXNNQRNHMRHNDX-HXUWFJFHSA-N 1 0 423.561 3.222 50 0 HGAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)CC(C)C ZINC000036249796 569119196 /nfs/dbraw/zinc/11/91/96/569119196.db2.gz GDDLKVRLMZTFTQ-HXUWFJFHSA-N 1 0 417.550 3.034 50 0 HGAARO CCOC[C@H](O)C[N@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036312944 569133051 /nfs/dbraw/zinc/13/30/51/569133051.db2.gz RFPPXSBNCXSCGQ-HXUWFJFHSA-N 1 0 417.550 3.178 50 0 HGAARO Cc1ccc(C(=O)N2[C@@H](C3CCCCC3)SC[C@@H]2C(=O)NCC[NH+](C)C)cc1 ZINC000006838350 569149608 /nfs/dbraw/zinc/14/96/08/569149608.db2.gz URVPKNCRRFHEBR-DENIHFKCSA-N 1 0 403.592 3.137 50 0 HGAARO Cc1c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840814 569151445 /nfs/dbraw/zinc/15/14/45/569151445.db2.gz QKEDEBDIPWVIFU-OAHLLOKOSA-N 1 0 416.591 3.487 50 0 HGAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000065023448 569154909 /nfs/dbraw/zinc/15/49/09/569154909.db2.gz XZUDIXQGNLUEEA-IBGZPJMESA-N 1 0 413.541 3.347 50 0 HGAARO CCc1ccc(-n2nnc(C(=O)NCC[NH+]3CCCCC3)c2-c2ccncc2)cc1 ZINC000065083379 569172885 /nfs/dbraw/zinc/17/28/85/569172885.db2.gz RZOAPXYILXIGEF-UHFFFAOYSA-N 1 0 404.518 3.107 50 0 HGAARO CCC[NH+]1CCN(c2nnc(-n3cccc3CNc3ccc(OC)cc3)s2)CC1 ZINC000006901921 569178054 /nfs/dbraw/zinc/17/80/54/569178054.db2.gz BVMODEHBCCEUMY-UHFFFAOYSA-N 1 0 412.563 3.482 50 0 HGAARO CCc1nc2c(c(=O)n1CC(=O)Nc1cccc(F)c1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153575 569187482 /nfs/dbraw/zinc/18/74/82/569187482.db2.gz VFIIUIGGNXXBRV-UHFFFAOYSA-N 1 0 420.488 3.142 50 0 HGAARO CNC(=O)c1ccc(CN(C)CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC000007255706 569230548 /nfs/dbraw/zinc/23/05/48/569230548.db2.gz RPFGWFOMFSAVKE-UHFFFAOYSA-N 1 0 408.546 3.497 50 0 HGAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000065476385 569231460 /nfs/dbraw/zinc/23/14/60/569231460.db2.gz WQYVUXUDFYXTSH-KRWDZBQOSA-N 1 0 414.500 3.149 50 0 HGAARO CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)CC1 ZINC000065501123 569232579 /nfs/dbraw/zinc/23/25/79/569232579.db2.gz FXWIAQZCGROZSQ-UHFFFAOYSA-N 1 0 415.484 3.476 50 0 HGAARO Cc1cc(N2CCC(CNC(=O)C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc[nH+]1 ZINC000240002226 569239230 /nfs/dbraw/zinc/23/92/30/569239230.db2.gz PPNHPTHNRAANTQ-UHFFFAOYSA-N 1 0 400.910 3.323 50 0 HGAARO COc1ccc(C[NH+]2CCC(NC(=O)c3n[nH]c4c3CCCCC4)CC2)cc1OC ZINC000170625675 569250208 /nfs/dbraw/zinc/25/02/08/569250208.db2.gz HHGIOGBDVRXQOV-UHFFFAOYSA-N 1 0 412.534 3.090 50 0 HGAARO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089791053 569266284 /nfs/dbraw/zinc/26/62/84/569266284.db2.gz IXXGBLUGLVDKAX-FGZHOGPDSA-N 1 0 411.521 3.361 50 0 HGAARO CC1(C)CC(N2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4C3(C)C)C2=O)CC(C)(C)[NH2+]1 ZINC000002106926 569283102 /nfs/dbraw/zinc/28/31/02/569283102.db2.gz FCCRNBJNQKLADV-IBGZPJMESA-N 1 0 422.573 3.308 50 0 biogenic HGAARO COc1ccc(-n2nc3nc(NCC[NH+](C)C)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000037359730 569283482 /nfs/dbraw/zinc/28/34/82/569283482.db2.gz MVFSIWNOFMAJBV-UHFFFAOYSA-N 1 0 421.480 3.186 50 0 HGAARO Cc1cccc(-n2nc3nc(N4CC[NH+](C)CC4)nc(-c4cccc(F)c4)c3c2N)c1 ZINC000037361209 569283569 /nfs/dbraw/zinc/28/35/69/569283569.db2.gz YQWJADZTNSZFRI-UHFFFAOYSA-N 1 0 417.492 3.264 50 0 HGAARO COc1cccc(-c2nc(NCC[NH+](C)C)nc3nn(-c4ccccc4)c(N)c32)c1 ZINC000037360607 569283615 /nfs/dbraw/zinc/28/36/15/569283615.db2.gz RLKRVLHUMWWEOK-UHFFFAOYSA-N 1 0 403.490 3.047 50 0 HGAARO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](C[C@@H]4CCCCO4)CC3)CC2)n1 ZINC000252490647 569289680 /nfs/dbraw/zinc/28/96/80/569289680.db2.gz KYKQZGWIVCJMIX-SFHVURJKSA-N 1 0 412.500 3.256 50 0 HGAARO Cc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1CNC(=O)C[NH+]1CCCCC1 ZINC000002260006 569324944 /nfs/dbraw/zinc/32/49/44/569324944.db2.gz OHLBGYDOJPWYTJ-UHFFFAOYSA-N 1 0 404.514 3.011 50 0 HGAARO Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CC[NH+]1CCCCC1 ZINC000002291595 569369103 /nfs/dbraw/zinc/36/91/03/569369103.db2.gz XSKKWZTWZQFYNU-UHFFFAOYSA-N 1 0 418.501 3.176 50 0 HGAARO Cc1sc2nc(C)n(CCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)c2c1C ZINC000225413477 569394999 /nfs/dbraw/zinc/39/49/99/569394999.db2.gz NPIOYZSTVVAYJO-QZTJIDSGSA-N 1 0 416.591 3.154 50 0 biogenic HGAARO COc1c2c(cc3c1[C@@H](C[C@@H](O)CCc1ccc4c(c1)OCO4)[N@H+](C)CC3)OCO2 ZINC000012661583 569402718 /nfs/dbraw/zinc/40/27/18/569402718.db2.gz SDGLWTATVZQCPU-DLBZAZTESA-N 1 0 413.470 3.065 50 0 biogenic HGAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2F)cc1 ZINC000013038337 569407737 /nfs/dbraw/zinc/40/77/37/569407737.db2.gz DQKYUWFGVJDNPJ-OAHLLOKOSA-N 1 0 407.511 3.146 50 0 HGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000040058974 571146308 /nfs/dbraw/zinc/14/63/08/571146308.db2.gz SUYKHUJUJDSJHG-IAGOWNOFSA-N 1 0 401.532 3.147 50 0 HGAARO Cc1cc(=O)c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nn1-c1ccccc1F ZINC000040108507 571168020 /nfs/dbraw/zinc/16/80/20/571168020.db2.gz VHLLERWNNFLWKQ-CALCHBBNSA-N 1 0 414.525 3.168 50 0 HGAARO Cc1ccc2ncc(C(=O)NCc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)c(=O)n2c1 ZINC000040108831 571168272 /nfs/dbraw/zinc/16/82/72/571168272.db2.gz NIXQNUAGQAAUDL-KRWDZBQOSA-N 1 0 404.514 3.165 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000040112293 571170509 /nfs/dbraw/zinc/17/05/09/571170509.db2.gz VIMYRFUQYPLMNJ-LJQANCHMSA-N 1 0 416.525 3.394 50 0 HGAARO CC1=C(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)SCCO1 ZINC000009115274 571224184 /nfs/dbraw/zinc/22/41/84/571224184.db2.gz CFVWKQJFQWBGLT-UHFFFAOYSA-N 1 0 403.548 3.226 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 ZINC000069378619 571224854 /nfs/dbraw/zinc/22/48/54/571224854.db2.gz ZKHNCMVQSOSSNY-KRWDZBQOSA-N 1 0 420.604 3.419 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)Cc1ccccc1 ZINC000069491402 571228530 /nfs/dbraw/zinc/22/85/30/571228530.db2.gz FSIIREQSOCKLCF-LEWJYISDSA-N 1 0 401.595 3.483 50 0 HGAARO C[C@@H](C(=O)NCc1cccnc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034684522 571316343 /nfs/dbraw/zinc/31/63/43/571316343.db2.gz METVQNCSAIGEKS-NRFANRHFSA-N 1 0 414.553 3.494 50 0 HGAARO COc1cc(OC)cc(C(=O)N2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000001143949 132238942 /nfs/dbraw/zinc/23/89/42/132238942.db2.gz IDRQXQMNQBYCIJ-UHFFFAOYSA-N 1 0 409.530 3.131 50 0 HGAARO COc1ccc(C(=O)N2CCC([NH+]3CCN(c4ccccc4OC)CC3)CC2)cc1 ZINC000001297135 132243832 /nfs/dbraw/zinc/24/38/32/132243832.db2.gz CDLHFHXOMLAKQM-UHFFFAOYSA-N 1 0 409.530 3.131 50 0 HGAARO COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000002261337 132250771 /nfs/dbraw/zinc/25/07/71/132250771.db2.gz WSOFKFVRGJLDLK-UHFFFAOYSA-N 1 0 424.476 3.244 50 0 HGAARO C[NH+](C)CCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000004932913 132296252 /nfs/dbraw/zinc/29/62/52/132296252.db2.gz LIOYOHVQSVBNFW-CPNJWEJPSA-N 1 0 415.946 3.498 50 0 HGAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@@H+](C)C1CCCCC1)CCO2 ZINC000005135705 132302018 /nfs/dbraw/zinc/30/20/18/132302018.db2.gz CHICHVKOYMHRSX-UHFFFAOYSA-N 1 0 401.551 3.271 50 0 HGAARO CCCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccccn3)CC1)n2C ZINC000005207752 132303886 /nfs/dbraw/zinc/30/38/86/132303886.db2.gz NQTBKOMLQBXIRT-UHFFFAOYSA-N 1 0 406.534 3.072 50 0 HGAARO CN1c2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)ccc2N2CCCC[C@@H]2C1=O ZINC000009528831 132340609 /nfs/dbraw/zinc/34/06/09/132340609.db2.gz WWWZZCTYRYWNGT-OAQYLSRUSA-N 1 0 412.578 3.406 50 0 HGAARO Cc1cccc(C[NH2+]C2CCN(c3ccc(C(=O)N4CCC[C@@H](O)C4)cc3)CC2)c1 ZINC000012167437 132355725 /nfs/dbraw/zinc/35/57/25/132355725.db2.gz YRTMDQVDIIBBNB-XMMPIXPASA-N 1 0 407.558 3.351 50 0 HGAARO CC(C)CCC(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012430041 132359784 /nfs/dbraw/zinc/35/97/84/132359784.db2.gz ORVBNNYOKVLFFF-HXUWFJFHSA-N 1 0 400.567 3.185 50 0 HGAARO Cc1nc(SCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)n[nH]1 ZINC000012588703 132364673 /nfs/dbraw/zinc/36/46/73/132364673.db2.gz GGTZCZAEWPFYOL-UHFFFAOYSA-N 1 0 422.558 3.166 50 0 HGAARO OCC[NH+]1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000022956650 132476671 /nfs/dbraw/zinc/47/66/71/132476671.db2.gz 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50 0 HGAARO O=C(NCc1ncc[nH]1)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000011820164 558283232 /nfs/dbraw/zinc/28/32/32/558283232.db2.gz KHQFEDPXFFEGNZ-UHFFFAOYSA-N 1 0 404.514 3.426 50 0 HGAARO CC[NH+]1CCN([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2)CC1 ZINC000019796744 558284584 /nfs/dbraw/zinc/28/45/84/558284584.db2.gz JMKIYTCTMAAOGK-QFIPXVFZSA-N 1 0 404.514 3.450 50 0 HGAARO COc1ccc(/C=C/C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000011869760 558290111 /nfs/dbraw/zinc/29/01/11/558290111.db2.gz JMFWMFMHLHLKFD-YAQIIAKESA-N 1 0 411.550 3.082 50 0 HGAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000011881447 558295284 /nfs/dbraw/zinc/29/52/84/558295284.db2.gz BAULIWOJTBKPNW-NRFANRHFSA-N 1 0 423.517 3.065 50 0 HGAARO COc1cc(-c2n[nH]cc2C[N@H+](CCO)Cc2cccs2)cc(OC)c1OC ZINC000011935149 558299124 /nfs/dbraw/zinc/29/91/24/558299124.db2.gz VAPLIIBAVKTLCE-UHFFFAOYSA-N 1 0 403.504 3.159 50 0 HGAARO COCC[NH+]1CCC(CN(Cc2nc3cc(F)ccc3[nH]2)Cc2ccncc2)CC1 ZINC000011935209 558299210 /nfs/dbraw/zinc/29/92/10/558299210.db2.gz AZXURVAYYOGCIU-UHFFFAOYSA-N 1 0 411.525 3.458 50 0 HGAARO C[C@@]1(C2CC[NH+](Cc3ccccc3)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000011966521 558304281 /nfs/dbraw/zinc/30/42/81/558304281.db2.gz SYJZHSCGDOCLOJ-VWLOTQADSA-N 1 0 403.526 3.377 50 0 HGAARO CN1CC[NH+](C2(CNC(=O)COc3ccc(C(C)(C)C)cc3)CCCCC2)CC1 ZINC000019902160 558305292 /nfs/dbraw/zinc/30/52/92/558305292.db2.gz OGTCJNIYDGPIOD-UHFFFAOYSA-N 1 0 401.595 3.429 50 0 HGAARO CC(C)=CCC[C@H](C)C[N@H+]1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1 ZINC000012034754 558311626 /nfs/dbraw/zinc/31/16/26/558311626.db2.gz XKEWMCNIGWGSMH-FQEVSTJZSA-N 1 0 409.578 3.378 50 0 HGAARO COc1ccc(CCc2nnc(CCC(=O)NCC3CC[NH+](C(C)C)CC3)o2)cc1 ZINC000012049512 558313644 /nfs/dbraw/zinc/31/36/44/558313644.db2.gz NFELPCIZFTUNGK-UHFFFAOYSA-N 1 0 414.550 3.033 50 0 HGAARO COc1ccc(-n2cc(C[NH2+][C@H]3CCCCNC3=O)c(-c3cccc(F)c3)n2)cc1 ZINC000012074312 558319222 /nfs/dbraw/zinc/31/92/22/558319222.db2.gz MTTAOBGPKJSZFX-NRFANRHFSA-N 1 0 408.477 3.445 50 0 HGAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](CCCn3cccn3)CC2)c1 ZINC000012075483 558319678 /nfs/dbraw/zinc/31/96/78/558319678.db2.gz ABGHGCKKXFTRMG-UHFFFAOYSA-N 1 0 412.534 3.061 50 0 HGAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000020109767 558334950 /nfs/dbraw/zinc/33/49/50/558334950.db2.gz ZESVBGZPMYCMTO-IBGZPJMESA-N 1 0 418.921 3.077 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(OC)c2)C1=O ZINC000020503692 558381374 /nfs/dbraw/zinc/38/13/74/558381374.db2.gz WIQCTYVOLAHKEM-IPEVAPCJSA-N 1 0 405.498 3.297 50 0 HGAARO Cc1cccc(C)c1N1C(=O)c2ccccc2/C(=C\NCCC[NH+]2CCOCC2)C1=O ZINC000020533323 558384669 /nfs/dbraw/zinc/38/46/69/558384669.db2.gz KCSSTZCKTAOLDO-OQKWZONESA-N 1 0 419.525 3.143 50 0 HGAARO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(O)c(OC)c4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012430424 558405196 /nfs/dbraw/zinc/40/51/96/558405196.db2.gz IYOAEJZYQVVOHF-WXVUKLJWSA-N 1 0 408.498 3.347 50 0 HGAARO Cc1ccccc1C(=O)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012435789 558408850 /nfs/dbraw/zinc/40/88/50/558408850.db2.gz ZJECBPQLRIXAJE-UHFFFAOYSA-N 1 0 420.557 3.023 50 0 HGAARO COc1ccccc1-n1cc(C(=O)N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000012439134 558410545 /nfs/dbraw/zinc/41/05/45/558410545.db2.gz WVPMMJRBOAYFQN-OAQYLSRUSA-N 1 0 416.525 3.243 50 0 HGAARO CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(COc4ccc(OC)cc4Cl)on3)C2)C1 ZINC000020782460 558413151 /nfs/dbraw/zinc/41/31/51/558413151.db2.gz WFKGSRXNBDAVLQ-NRFANRHFSA-N 1 0 419.909 3.474 50 0 HGAARO COc1cc(CNCc2nc3ccccc3o2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012466524 558420426 /nfs/dbraw/zinc/42/04/26/558420426.db2.gz VDHOCFCINJFZRG-SFHVURJKSA-N 1 0 413.518 3.206 50 0 HGAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+][C@H]2CCCCNC2=O)cc1 ZINC000020906465 558421203 /nfs/dbraw/zinc/42/12/03/558421203.db2.gz GNDLHTLKBPBSBC-FQEVSTJZSA-N 1 0 408.477 3.445 50 0 HGAARO O=C(c1nc2ccccn2c1CNCC1([NH+]2CCCCC2)CCCC1)N1CCCC1 ZINC000020915785 558422592 /nfs/dbraw/zinc/42/25/92/558422592.db2.gz NZRVQBOMFNWVHV-UHFFFAOYSA-N 1 0 409.578 3.459 50 0 HGAARO O=C(C1=CCCCC1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020993007 558426157 /nfs/dbraw/zinc/42/61/57/558426157.db2.gz RKXHDWFFEWERQS-OAQYLSRUSA-N 1 0 411.546 3.024 50 0 HGAARO CCN1CCC([NH+]2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)CC1 ZINC000012580848 558432336 /nfs/dbraw/zinc/43/23/36/558432336.db2.gz BOVWYNGANXYWMR-UHFFFAOYSA-N 1 0 423.985 3.044 50 0 HGAARO CC(C)/C=C/C(=O)N1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012712304 558453369 /nfs/dbraw/zinc/45/33/69/558453369.db2.gz ITYSMBYNVNKSEG-VMPITWQZSA-N 1 0 421.969 3.213 50 0 HGAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@@H](C)CCn3cccn3)CC2)c1 ZINC000012716717 558455434 /nfs/dbraw/zinc/45/54/34/558455434.db2.gz XUGMHHBDENHUAC-KRWDZBQOSA-N 1 0 412.534 3.106 50 0 HGAARO CCOC(=O)c1c(COCC[NH3+])nc(C)c(C(=O)OC)c1-c1ccccc1Cl ZINC000022055502 558459983 /nfs/dbraw/zinc/45/99/83/558459983.db2.gz APZSGEHAFPIYQZ-UHFFFAOYSA-N 1 0 406.866 3.149 50 0 in-vitro HGAARO COc1ccccc1[C@@H](CNC(=O)c1nn(-c2ccccc2)nc1C)[NH+]1CCCC1 ZINC000022679673 558504176 /nfs/dbraw/zinc/50/41/76/558504176.db2.gz REWWHWRFBPWYFY-HXUWFJFHSA-N 1 0 405.502 3.151 50 0 HGAARO c1ccc(-c2noc(CCC[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000022774692 558509411 /nfs/dbraw/zinc/50/94/11/558509411.db2.gz QEFHGCAPNIAJFW-UHFFFAOYSA-N 1 0 406.486 3.216 50 0 HGAARO CCN(CC)C(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH+](C)CC1 ZINC000022853497 558517351 /nfs/dbraw/zinc/51/73/51/558517351.db2.gz MCDFJIKUEXZJGW-UHFFFAOYSA-N 1 0 413.537 3.487 50 0 HGAARO Cc1nc2cc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)ccc2n1-c1ccccc1 ZINC000022924315 558522775 /nfs/dbraw/zinc/52/27/75/558522775.db2.gz ARKPKJAMJFUBSC-UHFFFAOYSA-N 1 0 417.557 3.188 50 0 HGAARO COc1ccc([C@@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)[NH+](C)C)cc1 ZINC000023178149 558540595 /nfs/dbraw/zinc/54/05/95/558540595.db2.gz NYYOSVUNJLESAM-QGZVFWFLSA-N 1 0 400.504 3.158 50 0 HGAARO CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C(C)C)cc1 ZINC000023238402 558544792 /nfs/dbraw/zinc/54/47/92/558544792.db2.gz AIOGJFNBFFFSMM-AZUAARDMSA-N 1 0 417.575 3.320 50 0 HGAARO CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)C(C)C)cc1 ZINC000023238397 558544808 /nfs/dbraw/zinc/54/48/08/558544808.db2.gz AIOGJFNBFFFSMM-QUCCMNQESA-N 1 0 417.575 3.320 50 0 HGAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)c1 ZINC000013596363 558547150 /nfs/dbraw/zinc/54/71/50/558547150.db2.gz KZFSKBBILKNKIG-SFHVURJKSA-N 1 0 405.498 3.230 50 0 HGAARO C[NH+]1CCN(c2ccc(CNC(=O)c3cc4c(s3)-c3ccccc3OC4)cn2)CC1 ZINC000023317889 558548896 /nfs/dbraw/zinc/54/88/96/558548896.db2.gz ONLIPTDVLOGGGF-UHFFFAOYSA-N 1 0 420.538 3.384 50 0 HGAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]C2CCN(C)CC2)CN1Cc1cccc2ccccc21 ZINC000023362681 558552421 /nfs/dbraw/zinc/55/24/21/558552421.db2.gz PSHXMJGLBWRFOF-NOZRDPDXSA-N 1 0 422.617 3.335 50 0 HGAARO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCC3)c2C)cc1 ZINC000013674650 558563804 /nfs/dbraw/zinc/56/38/04/558563804.db2.gz KKXURMDBZBRGMX-UHFFFAOYSA-N 1 0 415.559 3.320 50 0 HGAARO C[NH+](C)CCNC(=O)COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 ZINC000013729230 558585850 /nfs/dbraw/zinc/58/58/50/558585850.db2.gz CSONQQSLUIKDLX-UHFFFAOYSA-N 1 0 400.862 3.170 50 0 HGAARO Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NCC[NH+](C)C ZINC000013945782 558606919 /nfs/dbraw/zinc/60/69/19/558606919.db2.gz OKWUGBOYCWINFD-HSZRJFAPSA-N 1 0 404.514 3.089 50 0 HGAARO CC(C)C[NH+]1CCN(C(=O)c2nnn(-c3ccccc3Cl)c2-c2ccncc2)CC1 ZINC000065083128 558615494 /nfs/dbraw/zinc/61/54/94/558615494.db2.gz DIIBSKBATPDLBF-UHFFFAOYSA-N 1 0 424.936 3.397 50 0 HGAARO COC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1C ZINC000014079255 558618229 /nfs/dbraw/zinc/61/82/29/558618229.db2.gz FVKPEXNKWLDDPR-LJQANCHMSA-N 1 0 413.518 3.384 50 0 HGAARO COc1cccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)[NH+]2CCCC2)c1 ZINC000014232622 558640303 /nfs/dbraw/zinc/64/03/03/558640303.db2.gz YWZYPQDOSFHQEF-IBGZPJMESA-N 1 0 411.527 3.306 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000025436620 558640888 /nfs/dbraw/zinc/64/08/88/558640888.db2.gz MHIYIOCEGBYEOT-UHFFFAOYSA-N 1 0 402.564 3.189 50 0 HGAARO COC(=O)c1cccc(OC[C@H](O)C[N@H+](C)Cc2ccc(Br)s2)c1 ZINC000014242192 558644746 /nfs/dbraw/zinc/64/47/46/558644746.db2.gz MIRLZTZRMBWKQZ-CYBMUJFWSA-N 1 0 414.321 3.169 50 0 HGAARO CCCn1nc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c2ccccc2c1=O ZINC000014248902 558649123 /nfs/dbraw/zinc/64/91/23/558649123.db2.gz HVVWZHAMXBQYJB-OAQYLSRUSA-N 1 0 404.514 3.373 50 0 HGAARO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+]([C@@H](C)COC)CC2 ZINC000014532781 558656871 /nfs/dbraw/zinc/65/68/71/558656871.db2.gz BYDBKGLAOFXLQF-SFHVURJKSA-N 1 0 409.530 3.493 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]CCc1ccccc1F)CC2 ZINC000014534348 558657366 /nfs/dbraw/zinc/65/73/66/558657366.db2.gz HASGEQOIOMWPHW-QGZVFWFLSA-N 1 0 410.493 3.114 50 0 HGAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+]([C@@H]1CCc3ccccc3C1)CC2 ZINC000014536437 558658293 /nfs/dbraw/zinc/65/82/93/558658293.db2.gz JDNLSGFYPUTWKR-JOCHJYFZSA-N 1 0 418.541 3.258 50 0 HGAARO COC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccccc1 ZINC000014542948 558660845 /nfs/dbraw/zinc/66/08/45/558660845.db2.gz DPURBZXYFFQENI-IBGZPJMESA-N 1 0 401.551 3.019 50 0 HGAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014747388 558669486 /nfs/dbraw/zinc/66/94/86/558669486.db2.gz YUBVXTPTWVWFSB-UHFFFAOYSA-N 1 0 401.551 3.368 50 0 HGAARO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[NH2+]C[C@H]1CCCO1 ZINC000014882893 558676757 /nfs/dbraw/zinc/67/67/57/558676757.db2.gz LZHVAUMCKGPGNA-MRXNPFEDSA-N 1 0 412.515 3.441 50 0 HGAARO Cc1ccn(CC(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000014953810 558681709 /nfs/dbraw/zinc/68/17/09/558681709.db2.gz SHRRGLBFMLNQOG-XMMPIXPASA-N 1 0 424.589 3.420 50 0 HGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccc(C)o4)n3)c2C)C1 ZINC000014974176 558688580 /nfs/dbraw/zinc/68/85/80/558688580.db2.gz KXHICQONBZDTDL-QGZVFWFLSA-N 1 0 408.506 3.095 50 0 HGAARO COc1ccc(CCN(C)C(=O)CC[N@H+]2Cc3ccccc3O[C@@H](C)C2)cc1OC ZINC000014974857 558688841 /nfs/dbraw/zinc/68/88/41/558688841.db2.gz ICWGGEUJSCDXDT-SFHVURJKSA-N 1 0 412.530 3.378 50 0 HGAARO CCc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)cc1 ZINC000014981660 558691872 /nfs/dbraw/zinc/69/18/72/558691872.db2.gz DMLZCJNMZOYZDE-UHFFFAOYSA-N 1 0 407.518 3.039 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2nc(SC)ncc2Cl)[NH+]2CCCC2)cc1 ZINC000028289262 558695979 /nfs/dbraw/zinc/69/59/79/558695979.db2.gz MXIVWIAQVXREAL-INIZCTEOSA-N 1 0 406.939 3.427 50 0 HGAARO O=C1CCCN1CCCN1C(=O)CC[C@H]1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000015002734 558698304 /nfs/dbraw/zinc/69/83/04/558698304.db2.gz ITHRNBPTKQLNIY-SFHVURJKSA-N 1 0 411.468 3.189 50 0 HGAARO COc1ccc(OCc2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)no2)c2ccccc12 ZINC000015064170 558706977 /nfs/dbraw/zinc/70/69/77/558706977.db2.gz IYCMHVWVVFNTGX-INIZCTEOSA-N 1 0 407.470 3.336 50 0 HGAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000015066018 558708913 /nfs/dbraw/zinc/70/89/13/558708913.db2.gz RCBKNWUXUGQPHG-UHFFFAOYSA-N 1 0 408.506 3.023 50 0 HGAARO O[C@H](COc1ccccc1CNCc1ccc(F)cc1F)C[NH+]1CCSCC1 ZINC000015067206 558710092 /nfs/dbraw/zinc/71/00/92/558710092.db2.gz GCICBRYAZVZGSU-IBGZPJMESA-N 1 0 408.514 3.043 50 0 HGAARO CCOC(=O)c1cnn(-c2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)c1C ZINC000072282588 558713562 /nfs/dbraw/zinc/71/35/62/558713562.db2.gz JXBGZMMNONHKPX-VQTJNVASSA-N 1 0 411.506 3.106 50 0 HGAARO O=C(NCc1ccncc1)c1ccc(OC2CC[NH+](Cc3ccc(CO)o3)CC2)cc1 ZINC000015073814 558714579 /nfs/dbraw/zinc/71/45/79/558714579.db2.gz RATAGBUZWPRCGL-UHFFFAOYSA-N 1 0 421.497 3.140 50 0 HGAARO Cc1ccc(C)c(N2N=C(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CCC2=O)c1 ZINC000029836344 558722046 /nfs/dbraw/zinc/72/20/46/558722046.db2.gz GILUQNBVMIYLIE-NRFANRHFSA-N 1 0 410.493 3.344 50 0 HGAARO c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@H]([C@H]1CCOC1)N1CCOCC1 ZINC000030666077 558735447 /nfs/dbraw/zinc/73/54/47/558735447.db2.gz BRLLBEUFWOPHSD-QFBILLFUSA-N 1 0 413.543 3.383 50 0 HGAARO O=C(NCCc1ccccc1)N1CC[C@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000065266355 558745426 /nfs/dbraw/zinc/74/54/26/558745426.db2.gz LZUJCDYKDDWJNA-XMMPIXPASA-N 1 0 418.545 3.466 50 0 HGAARO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC(C)(C)c1nccs1 ZINC000072304003 558756721 /nfs/dbraw/zinc/75/67/21/558756721.db2.gz ODNNRQRMJDSYCI-UHFFFAOYSA-N 1 0 403.552 3.350 50 0 HGAARO CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)C1 ZINC000033115226 558761290 /nfs/dbraw/zinc/76/12/90/558761290.db2.gz LURXJIBHSOLZMB-GOSISDBHSA-N 1 0 405.564 3.075 50 0 HGAARO CC(C)(O)C[N@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CCOCC1 ZINC000072308460 558769370 /nfs/dbraw/zinc/76/93/70/558769370.db2.gz NZGDEOIJDUVBHC-UHFFFAOYSA-N 1 0 403.567 3.257 50 0 HGAARO Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]Cc4ccccc4)cc3)cc2n(C)c1=O ZINC000016363942 558788463 /nfs/dbraw/zinc/78/84/63/558788463.db2.gz KIGAGINDZIJYTA-DEOSSOPVSA-N 1 0 417.509 3.279 50 0 HGAARO Cc1cc(C)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)c1 ZINC000035421899 558791509 /nfs/dbraw/zinc/79/15/09/558791509.db2.gz VKCAVIXHZUNMJH-NRFANRHFSA-N 1 0 407.558 3.371 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccccc2OC)CC1 ZINC000036341403 558799044 /nfs/dbraw/zinc/79/90/44/558799044.db2.gz SDBFDONVVHTYQB-QFIPXVFZSA-N 1 0 424.520 3.150 50 0 HGAARO Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCCC[NH+]2CCCC2)s1 ZINC000032995381 558809459 /nfs/dbraw/zinc/80/94/59/558809459.db2.gz LXHDGNWFJNXMJB-UHFFFAOYSA-N 1 0 415.563 3.024 50 0 HGAARO CC[NH+](CC)CCCNC(=O)c1ccc(Cn2c3ccccc3nc(C)c2=O)cc1 ZINC000033005777 558827542 /nfs/dbraw/zinc/82/75/42/558827542.db2.gz CBNOINMCGHUUAN-UHFFFAOYSA-N 1 0 406.530 3.215 50 0 HGAARO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000033011043 558830419 /nfs/dbraw/zinc/83/04/19/558830419.db2.gz SOIUJTUWUZNORD-AWEZNQCLSA-N 1 0 401.536 3.093 50 0 HGAARO CC1(C)CC(NC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)CC(C)(C)[NH2+]1 ZINC000004593973 558831886 /nfs/dbraw/zinc/83/18/86/558831886.db2.gz PBWDHDGPQSCNTG-UHFFFAOYSA-N 1 0 418.541 3.489 50 0 HGAARO Cc1nnc(C(=O)Nc2cccc(C(=O)NCC[N@@H+](C)C3CCCCC3)c2)s1 ZINC000033022647 558837848 /nfs/dbraw/zinc/83/78/48/558837848.db2.gz FPLUAMPGYBRUSF-UHFFFAOYSA-N 1 0 401.536 3.093 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1 ZINC000033023052 558839339 /nfs/dbraw/zinc/83/93/39/558839339.db2.gz OAWNUHNYLWSKDH-CQSZACIVSA-N 1 0 413.547 3.272 50 0 HGAARO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCC[NH+]3CCCCCC3)C2)s1 ZINC000033078422 558867971 /nfs/dbraw/zinc/86/79/71/558867971.db2.gz YQLGSSCPUFOVQY-KRWDZBQOSA-N 1 0 415.607 3.462 50 0 HGAARO O=C(CCOc1ccccc1)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055200074 558875743 /nfs/dbraw/zinc/87/57/43/558875743.db2.gz HZCWSQBBMSLNRO-QFIPXVFZSA-N 1 0 411.521 3.408 50 0 HGAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccc(F)cc4)c(C)c32)CC1 ZINC000033048335 558885522 /nfs/dbraw/zinc/88/55/22/558885522.db2.gz QCLLZMZEFWBTHN-UHFFFAOYSA-N 1 0 413.522 3.211 50 0 HGAARO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(CCc2ccccc2)CC1 ZINC000011155765 558894038 /nfs/dbraw/zinc/89/40/38/558894038.db2.gz BWRVUDCKTYQBMK-KRWDZBQOSA-N 1 0 415.559 3.006 50 0 HGAARO Cc1ccc(C2=NN(CC(=O)NCC[NH+](CC(C)C)CC(C)C)C(=O)CC2)cc1 ZINC000004708413 558913887 /nfs/dbraw/zinc/91/38/87/558913887.db2.gz INMPFODMHQFVPL-UHFFFAOYSA-N 1 0 400.567 3.052 50 0 HGAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(Br)c3)cc2)C1 ZINC000058306543 558918244 /nfs/dbraw/zinc/91/82/44/558918244.db2.gz NRAIGUCVOCLSJB-CYBMUJFWSA-N 1 0 422.348 3.460 50 0 HGAARO CC1CC[NH+](CCCCNC(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)CC1 ZINC000058405864 558924396 /nfs/dbraw/zinc/92/43/96/558924396.db2.gz QQOTUEAEJDNECI-UHFFFAOYSA-N 1 0 413.566 3.363 50 0 HGAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000058441015 558927517 /nfs/dbraw/zinc/92/75/17/558927517.db2.gz LZNPGQMLAIHTNU-SFHVURJKSA-N 1 0 403.486 3.026 50 0 HGAARO Cc1ccc(NC(=O)c2nnc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)s2)cc1 ZINC000033060422 558954818 /nfs/dbraw/zinc/95/48/18/558954818.db2.gz QOLAJLKOSHNJCY-OAHLLOKOSA-N 1 0 401.536 3.093 50 0 HGAARO Cn1cc(-c2cc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)c3ccc(F)cc3n2)cn1 ZINC000063856235 558959627 /nfs/dbraw/zinc/95/96/27/558959627.db2.gz CPKSZVRTLPDPJD-SFHVURJKSA-N 1 0 407.493 3.475 50 0 HGAARO Cc1cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc(N2CCCC2)[nH+]1 ZINC000064799749 558965595 /nfs/dbraw/zinc/96/55/95/558965595.db2.gz RPOORCBHOMZVEB-UHFFFAOYSA-N 1 0 403.889 3.140 50 0 HGAARO COc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c(C)c1 ZINC000064800120 558965743 /nfs/dbraw/zinc/96/57/43/558965743.db2.gz HXRSTECNLVDTQE-UHFFFAOYSA-N 1 0 410.522 3.056 50 0 HGAARO CCOc1ccccc1NC(=O)N1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000064800092 558965747 /nfs/dbraw/zinc/96/57/47/558965747.db2.gz QZKDQRIVLIOUNS-UHFFFAOYSA-N 1 0 410.522 3.138 50 0 HGAARO CCOc1ccccc1NC(=O)N1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC000072434106 558979627 /nfs/dbraw/zinc/97/96/27/558979627.db2.gz OPOWGELHZZSRAE-UHFFFAOYSA-N 1 0 410.522 3.138 50 0 HGAARO C[NH+](C)CCOc1cccc2c1c(NC(=O)c1ccon1)nn2-c1cccc(F)c1 ZINC000072453599 558982906 /nfs/dbraw/zinc/98/29/06/558982906.db2.gz XESVZDFJPZNTHV-UHFFFAOYSA-N 1 0 409.421 3.345 50 0 HGAARO O=C(Nc1cccc(CN2CCOCC2)n1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000097032449 558988027 /nfs/dbraw/zinc/98/80/27/558988027.db2.gz FYBTVKRMBXBUQR-NRFANRHFSA-N 1 0 412.509 3.046 50 0 HGAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccccc1Br ZINC000067613515 558989104 /nfs/dbraw/zinc/98/91/04/558989104.db2.gz CZWNTONVZRNMFL-UHFFFAOYSA-N 1 0 413.279 3.220 50 0 HGAARO COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@H+](CCC(N)=O)C4)nc12 ZINC000067714711 558991798 /nfs/dbraw/zinc/99/17/98/558991798.db2.gz OYYVNEGCHQRPJH-UHFFFAOYSA-N 1 0 421.497 3.297 50 0 HGAARO CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)nc2)C1 ZINC000067881063 558994346 /nfs/dbraw/zinc/99/43/46/558994346.db2.gz KXOFLCQVSWHLGB-FQEVSTJZSA-N 1 0 400.567 3.079 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1cccc(F)c1 ZINC000023081684 559000196 /nfs/dbraw/zinc/00/01/96/559000196.db2.gz MYXRTOYOYHHIIR-SJLPKXTDSA-N 1 0 403.523 3.159 50 0 HGAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082087023 559036829 /nfs/dbraw/zinc/03/68/29/559036829.db2.gz RDOACWGGHICIIJ-HSZRJFAPSA-N 1 0 406.574 3.117 50 0 HGAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106820 559038212 /nfs/dbraw/zinc/03/82/12/559038212.db2.gz WVDMRGMARGNJLV-QHCPKHFHSA-N 1 0 406.574 3.417 50 0 HGAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3F)CC2)C1 ZINC000082120656 559039330 /nfs/dbraw/zinc/03/93/30/559039330.db2.gz FNUZXQOZMYEOFX-OAQYLSRUSA-N 1 0 410.537 3.214 50 0 HGAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(Cc3nccs3)CC2)C1 ZINC000082121805 559039717 /nfs/dbraw/zinc/03/97/17/559039717.db2.gz YGWCALAKJZTGTP-FQEVSTJZSA-N 1 0 412.603 3.178 50 0 HGAARO O=C(NCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082121948 559039720 /nfs/dbraw/zinc/03/97/20/559039720.db2.gz UBKMIUNJMPLJKD-CQSZACIVSA-N 1 0 410.440 3.187 50 0 HGAARO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)no1 ZINC000082127045 559039794 /nfs/dbraw/zinc/03/97/94/559039794.db2.gz BJOHQNQUXZOQRK-NRFANRHFSA-N 1 0 410.562 3.018 50 0 HGAARO Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)no1 ZINC000082127044 559039918 /nfs/dbraw/zinc/03/99/18/559039918.db2.gz BJOHQNQUXZOQRK-OAQYLSRUSA-N 1 0 410.562 3.018 50 0 HGAARO O=C(NCc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082134554 559039990 /nfs/dbraw/zinc/03/99/90/559039990.db2.gz JJDZHJZJXVWGSF-OAQYLSRUSA-N 1 0 410.537 3.214 50 0 HGAARO Cc1nc2cc(OCc3nc(C(=O)N(C)C[C@@H]4CC[N@H+](C)C4)co3)ccc2s1 ZINC000091416794 559071549 /nfs/dbraw/zinc/07/15/49/559071549.db2.gz UPPITVSSPAIALS-CQSZACIVSA-N 1 0 400.504 3.195 50 0 HGAARO C[NH2+]CC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000091694490 559073080 /nfs/dbraw/zinc/07/30/80/559073080.db2.gz IMNQBBQRBZZHEG-QFIPXVFZSA-N 1 0 413.521 3.360 50 0 HGAARO CCCc1nc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)cs1 ZINC000095521409 559085290 /nfs/dbraw/zinc/08/52/90/559085290.db2.gz ZFMLHJMCRBMJSC-UHFFFAOYSA-N 1 0 401.580 3.464 50 0 HGAARO COc1ccc(C(=O)NCc2c(C)noc2C)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095526983 559086165 /nfs/dbraw/zinc/08/61/65/559086165.db2.gz NFIBXOHXDFLSIC-UHFFFAOYSA-N 1 0 401.507 3.482 50 0 HGAARO CCN1CCN(C(=O)CCC2CC[NH+]([C@H](C)CCc3ccc(O)cc3)CC2)CC1 ZINC000096879118 559112510 /nfs/dbraw/zinc/11/25/10/559112510.db2.gz OSBCWCZPESFFAW-HXUWFJFHSA-N 1 0 401.595 3.370 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Cc1ccccc1 ZINC000011603681 559113163 /nfs/dbraw/zinc/11/31/63/559113163.db2.gz VRYDKPWOVSCXOR-APWZRJJASA-N 1 0 417.962 3.432 50 0 HGAARO COc1cccc([C@@H](CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)[NH+](C)C)c1 ZINC000011603984 559113201 /nfs/dbraw/zinc/11/32/01/559113201.db2.gz IYUPQYXJZBLZHI-OAQYLSRUSA-N 1 0 422.529 3.472 50 0 HGAARO CCn1cc(C(=O)NCCC[NH+]2CCCCCC2)c2cc(OC)c(OC)cc2c1=O ZINC000004874653 559195177 /nfs/dbraw/zinc/19/51/77/559195177.db2.gz BVDMLWWQJSHOJV-UHFFFAOYSA-N 1 0 415.534 3.035 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc3c(c4ccccc4n(C)c3=O)n2C)C1 ZINC000004938788 559211618 /nfs/dbraw/zinc/21/16/18/559211618.db2.gz HCJPMRVAHBDYKB-IAGOWNOFSA-N 1 0 408.546 3.128 50 0 HGAARO Cn1c(=O)cc(OCCCC(=O)NCCC[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000005067699 559240135 /nfs/dbraw/zinc/24/01/35/559240135.db2.gz UFLLEYJPQFADLZ-UHFFFAOYSA-N 1 0 421.541 3.336 50 0 HGAARO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCC[NH+]3CCCC3)c(C)c12 ZINC000005150829 559253705 /nfs/dbraw/zinc/25/37/05/559253705.db2.gz AGWPXTPAVGOYRY-UHFFFAOYSA-N 1 0 405.546 3.490 50 0 HGAARO Cc1cccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)c1 ZINC000005254583 560552139 /nfs/dbraw/zinc/55/21/39/560552139.db2.gz AABIAPGEOBPRLJ-UHFFFAOYSA-N 1 0 414.575 3.113 50 0 HGAARO CC[NH+](CC)CCCNC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000005304918 560563121 /nfs/dbraw/zinc/56/31/21/560563121.db2.gz BKMWTPGGEUYGPU-UHFFFAOYSA-N 1 0 410.493 3.046 50 0 HGAARO O=C1C[C@@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000169355462 560763117 /nfs/dbraw/zinc/76/31/17/560763117.db2.gz YACGSFQFKLDZPH-UVUJQTEASA-N 1 0 420.900 3.302 50 0 HGAARO COc1cc(CN2CCN(Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104496956 560851823 /nfs/dbraw/zinc/85/18/23/560851823.db2.gz YAFLTSYZQRLUQS-GOSISDBHSA-N 1 0 420.937 3.132 50 0 HGAARO COC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983919 560858918 /nfs/dbraw/zinc/85/89/18/560858918.db2.gz UUDXGXBJKSEZEV-PZJWPPBQSA-N 1 0 418.921 3.351 50 0 HGAARO COCCN(C[C@@H]1C[N@H+](Cc2ccc(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000105050259 560860801 /nfs/dbraw/zinc/86/08/01/560860801.db2.gz RFSADAQIBLDOOY-SIKLNZKXSA-N 1 0 418.509 3.064 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2)C1 ZINC000047109773 560880257 /nfs/dbraw/zinc/88/02/57/560880257.db2.gz DUEMOQOLYZSCKM-SFHVURJKSA-N 1 0 418.541 3.404 50 0 HGAARO C[N@@H+]1CCN(CCNC(=O)c2cc(C3CC3)nn2C(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000048276461 568435576 /nfs/dbraw/zinc/43/55/76/568435576.db2.gz TWMKFUHKFHXIIA-JOCHJYFZSA-N 1 0 409.578 3.234 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cn3ncc4ccccc4c3=O)cc2)C1 ZINC000048310956 568436802 /nfs/dbraw/zinc/43/68/02/568436802.db2.gz OTZSDLLVQPVJTA-RTBURBONSA-N 1 0 418.541 3.191 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000048333003 568439333 /nfs/dbraw/zinc/43/93/33/568439333.db2.gz OUXLBUFJDKKVCT-IRXDYDNUSA-N 1 0 407.514 3.425 50 0 HGAARO CCc1ccc(NC(=O)[C@H](C)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000048332831 568439340 /nfs/dbraw/zinc/43/93/40/568439340.db2.gz TXAWNTLLXBQDIL-INIZCTEOSA-N 1 0 401.473 3.163 50 0 HGAARO O=S(=O)(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000049611760 568452708 /nfs/dbraw/zinc/45/27/08/568452708.db2.gz NHQYKAKJOLYWQH-INIZCTEOSA-N 1 0 408.545 3.372 50 0 HGAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Cc2c(C)[nH]c3ccccc32)CC1 ZINC000049734242 568453193 /nfs/dbraw/zinc/45/31/93/568453193.db2.gz JWXMTWHOZXVYLC-UHFFFAOYSA-N 1 0 404.558 3.473 50 0 HGAARO O[C@@H](COc1ccc(Br)cc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022358433 568484923 /nfs/dbraw/zinc/48/49/23/568484923.db2.gz MUUXBUYJUALOFH-LJQANCHMSA-N 1 0 405.336 3.007 50 0 HGAARO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc(N3CCCC3=O)cc2)CC1 ZINC000095360823 568601878 /nfs/dbraw/zinc/60/18/78/568601878.db2.gz MVKAYLFFMNAOJW-UHFFFAOYSA-N 1 0 421.541 3.281 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](C5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411335 568605165 /nfs/dbraw/zinc/60/51/65/568605165.db2.gz FXYPTAKKGKQTFF-DHRDOYSISA-N 1 0 416.606 3.222 50 0 biogenic HGAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cccc(C[S@@](C)=O)c1 ZINC000040107650 568622988 /nfs/dbraw/zinc/62/29/88/568622988.db2.gz CZMCDZYBRGNFSW-NDEPHWFRSA-N 1 0 402.560 3.216 50 0 HGAARO NS(=O)(=O)CC1CC[NH+](Cc2ccc(OCc3ccc(Cl)cc3)cc2)CC1 ZINC000095468630 568625388 /nfs/dbraw/zinc/62/53/88/568625388.db2.gz UERWKVNPGLQYIP-UHFFFAOYSA-N 1 0 408.951 3.420 50 0 HGAARO CCC[NH+]1CCN(C(=O)CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)CC1 ZINC000020927828 568651478 /nfs/dbraw/zinc/65/14/78/568651478.db2.gz LCABQSLZDOADSR-UHFFFAOYSA-N 1 0 414.893 3.042 50 0 HGAARO CCn1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccc(OC)cc3)C2)cn1 ZINC000096000198 568680921 /nfs/dbraw/zinc/68/09/21/568680921.db2.gz MSLVEJOTUKQLFX-SFHVURJKSA-N 1 0 408.506 3.267 50 0 HGAARO Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)N3CCC([NH+]4CCCCC4)CC3)c2n1 ZINC000021539916 568713315 /nfs/dbraw/zinc/71/33/15/568713315.db2.gz RTXUGLBBZPKLSH-UHFFFAOYSA-N 1 0 420.561 3.316 50 0 HGAARO CCOc1ccc(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000096280016 568717696 /nfs/dbraw/zinc/71/76/96/568717696.db2.gz GVEXEDMRJYINQV-SFHVURJKSA-N 1 0 416.566 3.411 50 0 HGAARO O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014990459 568718517 /nfs/dbraw/zinc/71/85/17/568718517.db2.gz PSBWLZAYCKPSDO-DPLHUUCSSA-N 1 0 406.526 3.382 50 0 HGAARO Cc1ccc(-n2c(CC(=O)NCCC[NH+]3CCCCC3)c3[nH]cccc-3c2=O)cc1 ZINC000096386973 568743773 /nfs/dbraw/zinc/74/37/73/568743773.db2.gz IUIVRDXAOIPRDE-NRFANRHFSA-N 1 0 406.530 3.474 50 0 HGAARO Cc1cccc(-n2c(CC(=O)NCC[N@H+]3CCCC[C@@H]3C)c3[nH]cccc-3c2=O)c1 ZINC000096387073 568743953 /nfs/dbraw/zinc/74/39/53/568743953.db2.gz FQVWUWPKZYEKMO-RXVVDRJESA-N 1 0 406.530 3.472 50 0 HGAARO C[C@]1(C(=O)NC2CCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CC[NH+]1CCCC1 ZINC000021864160 568755682 /nfs/dbraw/zinc/75/56/82/568755682.db2.gz ROQDCBPFFRQJJG-XMMPIXPASA-N 1 0 424.545 3.117 50 0 HGAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2Cl)n1 ZINC000000974313 568759382 /nfs/dbraw/zinc/75/93/82/568759382.db2.gz SSDCVOWMGCLSRS-PXNSSMCTSA-N 1 0 422.920 3.136 50 0 HGAARO CC[NH+]1CCN(CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000021934131 568761876 /nfs/dbraw/zinc/76/18/76/568761876.db2.gz WONYGYXYSPDDJX-UHFFFAOYSA-N 1 0 403.530 3.054 50 0 HGAARO C[NH+]1CCN([C@H](CNC(=O)COc2ccc3ccccc3c2)c2ccsc2)CC1 ZINC000022453907 568768211 /nfs/dbraw/zinc/76/82/11/568768211.db2.gz LVUXSKBPRYUSEJ-JOCHJYFZSA-N 1 0 409.555 3.385 50 0 HGAARO CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CC1 ZINC000012560761 568858161 /nfs/dbraw/zinc/85/81/61/568858161.db2.gz HUCLEMKDZRULOB-UHFFFAOYSA-N 1 0 415.559 3.318 50 0 HGAARO Cc1ccc(S(=O)(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000030361120 568861983 /nfs/dbraw/zinc/86/19/83/568861983.db2.gz QECNMOILKNIHBW-UHFFFAOYSA-N 1 0 401.576 3.184 50 0 HGAARO COc1cccc([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)[NH+]2CCCC2)c1 ZINC000012599704 568869670 /nfs/dbraw/zinc/86/96/70/568869670.db2.gz IAEWETLJMTWDAK-QFIPXVFZSA-N 1 0 407.514 3.389 50 0 HGAARO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](C/C=C/c2ccco2)CC3)CC1 ZINC000299775784 568874671 /nfs/dbraw/zinc/87/46/71/568874671.db2.gz KKHNXFGBSOIUJD-GECPCNCSSA-N 1 0 415.534 3.132 50 0 HGAARO O=C1NC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)n2nc(-c3cccs3)cc21 ZINC000263619139 568912230 /nfs/dbraw/zinc/91/22/30/568912230.db2.gz XDZCFNKIWDSGPS-NRFANRHFSA-N 1 0 407.543 3.108 50 0 HGAARO COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000083859402 568921374 /nfs/dbraw/zinc/92/13/74/568921374.db2.gz WTGNMFGTFPEIHA-GOSISDBHSA-N 1 0 421.900 3.243 50 0 HGAARO CCc1ccc([C@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)[NH+](C)C)cc1 ZINC000012745553 568931147 /nfs/dbraw/zinc/93/11/47/568931147.db2.gz PILMHKQQMRAWJD-RPWUZVMVSA-N 1 0 420.557 3.197 50 0 HGAARO Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)C(F)(F)F ZINC000084011921 568932885 /nfs/dbraw/zinc/93/28/85/568932885.db2.gz VHCVZSGJKBVKME-SFHVURJKSA-N 1 0 424.471 3.214 50 0 HGAARO O=C(NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1(N2CCOCC2)CCCCC1 ZINC000670459291 568947311 /nfs/dbraw/zinc/94/73/11/568947311.db2.gz SFCQDOPPICWZEC-QHCPKHFHSA-N 1 0 413.606 3.092 50 0 HGAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1ccc(Cn2cnnn2)cc1 ZINC000670462003 568953101 /nfs/dbraw/zinc/95/31/01/568953101.db2.gz GNZGWSDBSFUXFO-JOCHJYFZSA-N 1 0 404.518 3.069 50 0 HGAARO O=C(Cc1noc2ccccc12)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000015674989 568963122 /nfs/dbraw/zinc/96/31/22/568963122.db2.gz HGVCZBLHHZEZNJ-UHFFFAOYSA-N 1 0 412.921 3.352 50 0 HGAARO CC[NH+](CC)CCCNC(=O)CCCN1c2ncccc2O[C@@H](c2ccccc2)C1=O ZINC000015677897 568966158 /nfs/dbraw/zinc/96/61/58/568966158.db2.gz IXWRCAOEZMHVNI-QFIPXVFZSA-N 1 0 424.545 3.177 50 0 HGAARO O=C(CN1c2ccccc2Oc2ncccc2C1=O)NCCC[NH+]1CCCCCC1 ZINC000015679946 568966810 /nfs/dbraw/zinc/96/68/10/568966810.db2.gz CBOPUYDBJNJMLO-UHFFFAOYSA-N 1 0 408.502 3.216 50 0 HGAARO COc1cccc(-n2ccnc2SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000008342480 568993718 /nfs/dbraw/zinc/99/37/18/568993718.db2.gz QMBZJYRRLKULIK-FQEVSTJZSA-N 1 0 410.543 3.392 50 0 HGAARO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCCC2)ccc1C ZINC000013669062 569004792 /nfs/dbraw/zinc/00/47/92/569004792.db2.gz HFZGHWYVIQFNAF-UHFFFAOYSA-N 1 0 415.559 3.320 50 0 HGAARO CCOc1ccc(CN2CC[N@H+](Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)cc1 ZINC000104373317 569008547 /nfs/dbraw/zinc/00/85/47/569008547.db2.gz BMNYEVARHZZMNA-XMMPIXPASA-N 1 0 420.557 3.340 50 0 HGAARO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2)CC1 ZINC000015864343 569016397 /nfs/dbraw/zinc/01/63/97/569016397.db2.gz MXLNPKRAHIYWTO-UHFFFAOYSA-N 1 0 422.573 3.449 50 0 HGAARO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000012905282 569020962 /nfs/dbraw/zinc/02/09/62/569020962.db2.gz DLIONJIXNAEDCJ-SFHVURJKSA-N 1 0 409.452 3.361 50 0 HGAARO CCc1ccc([C@@H](CNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)[NH+](C)C)cc1 ZINC000012909403 569021740 /nfs/dbraw/zinc/02/17/40/569021740.db2.gz VBSVXWMWHDGVOV-VWNXMTODSA-N 1 0 409.574 3.351 50 0 HGAARO Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)NCC[NH+]1CCCC1 ZINC000006200527 569031611 /nfs/dbraw/zinc/03/16/11/569031611.db2.gz CMOBQVFYJYZYPO-XMMPIXPASA-N 1 0 416.525 3.234 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000035397963 569035063 /nfs/dbraw/zinc/03/50/63/569035063.db2.gz RVSLLEQIYSTXSK-PZJWPPBQSA-N 1 0 407.562 3.351 50 0 HGAARO Cc1ccc(CN2CC[N@H+](Cc3c(C)cc(C)cc3-n3cccn3)C[C@H]2CCO)o1 ZINC000036385627 569052265 /nfs/dbraw/zinc/05/22/65/569052265.db2.gz FDXXOIXYUWAKOP-OAQYLSRUSA-N 1 0 408.546 3.459 50 0 HGAARO COc1ccccc1CN1CCC([NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000239760933 569054581 /nfs/dbraw/zinc/05/45/81/569054581.db2.gz CILKWMZXRKQKFV-WWPVKYPJSA-N 1 0 401.595 3.139 50 0 HGAARO Cc1ccc(N2C(=O)C[C@H](N3CCc4cc5c(cc4[C@H]3C)OCCCO5)C2=O)cc1 ZINC000245246146 569055343 /nfs/dbraw/zinc/05/53/43/569055343.db2.gz JLYOQKZEHUMFGU-UZLBHIALSA-N 1 0 406.482 3.408 50 0 HGAARO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000247891117 569057556 /nfs/dbraw/zinc/05/75/56/569057556.db2.gz VOPLWFGSMDFFHN-OSJYTEGDSA-N 1 0 421.884 3.080 50 0 HGAARO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[N@H+]2CCCC[C@@H]2CC)C1=O ZINC000169301646 569065878 /nfs/dbraw/zinc/06/58/78/569065878.db2.gz SDAAHTTYDIXUBO-ICSRJNTNSA-N 1 0 401.551 3.270 50 0 HGAARO Cc1cc(Cl)cc(Cl)c1CNC(=O)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000426485673 569073140 /nfs/dbraw/zinc/07/31/40/569073140.db2.gz OCGYXAKCAPEHEE-INIZCTEOSA-N 1 0 400.350 3.433 50 0 HGAARO COCCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COCc1ccccc1 ZINC000036097164 569090185 /nfs/dbraw/zinc/09/01/85/569090185.db2.gz RSKCGMIADNKZCZ-NRFANRHFSA-N 1 0 403.519 3.120 50 0 HGAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102344 569091863 /nfs/dbraw/zinc/09/18/63/569091863.db2.gz FNSTYBILEJPEBS-LJQANCHMSA-N 1 0 415.486 3.130 50 0 HGAARO Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1-n1nnc2cccnc21 ZINC000064925557 569122851 /nfs/dbraw/zinc/12/28/51/569122851.db2.gz CSKDODBHGKIZJP-UHFFFAOYSA-N 1 0 404.518 3.214 50 0 HGAARO CC[C@H](C(=O)NCCC[NH+]1CCCC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799362 569126416 /nfs/dbraw/zinc/12/64/16/569126416.db2.gz IKSRVSBXANRZGB-QGZVFWFLSA-N 1 0 412.559 3.473 50 0 HGAARO Cc1c(C(=O)NCCC[NH+]2CCCCC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840795 569151486 /nfs/dbraw/zinc/15/14/86/569151486.db2.gz DTXZGCGOIFJYAZ-UHFFFAOYSA-N 1 0 402.564 3.099 50 0 HGAARO CCCCC(=O)Nc1cnc(N2CC[NH2+]CC2)c(C(=O)N(CC)Cc2ccccc2)c1 ZINC000065025380 569156357 /nfs/dbraw/zinc/15/63/57/569156357.db2.gz KSYZWDBYOZMJEE-UHFFFAOYSA-N 1 0 423.561 3.282 50 0 HGAARO CCCC[NH+]1CCN(C(=O)CC[C@H]2CCCN(c3cc(NCCC)ncn3)C2)CC1 ZINC000065244853 569204771 /nfs/dbraw/zinc/20/47/71/569204771.db2.gz WVAVSMPZFLEEBX-HXUWFJFHSA-N 1 0 416.614 3.239 50 0 HGAARO CCCNc1cc(N2CCC[C@@H](CCC(=O)NCC[NH+]3CCCCCC3)C2)ncn1 ZINC000065244909 569204805 /nfs/dbraw/zinc/20/48/05/569204805.db2.gz ZQPJLCJCJCJLQP-FQEVSTJZSA-N 1 0 416.614 3.287 50 0 HGAARO O=C(c1ccncc1)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265651 569212907 /nfs/dbraw/zinc/21/29/07/569212907.db2.gz HRXMKHUBYRNLCT-UHFFFAOYSA-N 1 0 412.497 3.397 50 0 biogenic HGAARO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000065330761 569225076 /nfs/dbraw/zinc/22/50/76/569225076.db2.gz IYZBWSXRVDZUCY-QGZVFWFLSA-N 1 0 401.580 3.290 50 0 HGAARO CCc1ccc([C@H](CNC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)[NH+](C)C)cc1 ZINC000036748063 569226026 /nfs/dbraw/zinc/22/60/26/569226026.db2.gz UJXZBKJSNGALAL-PMACEKPBSA-N 1 0 416.953 3.421 50 0 HGAARO CCc1ccc([C@@H](CNC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)[NH+](C)C)cc1 ZINC000036748061 569226060 /nfs/dbraw/zinc/22/60/60/569226060.db2.gz UJXZBKJSNGALAL-VQTJNVASSA-N 1 0 416.953 3.421 50 0 HGAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000170595878 569241560 /nfs/dbraw/zinc/24/15/60/569241560.db2.gz XLTWXKWDRSVIMP-HCLVMJGWSA-N 1 0 402.510 3.353 50 0 HGAARO Cc1ccc(C)c(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)c1 ZINC000013579117 569256372 /nfs/dbraw/zinc/25/63/72/569256372.db2.gz ABUJQLJDHRXLOA-LJQANCHMSA-N 1 0 406.515 3.429 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)cc2)CC1 ZINC000014347787 569259568 /nfs/dbraw/zinc/25/95/68/569259568.db2.gz FYEQHDBUBJAHOZ-LJQANCHMSA-N 1 0 406.530 3.358 50 0 HGAARO O[C@H](COCc1cccs1)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000089774527 569263771 /nfs/dbraw/zinc/26/37/71/569263771.db2.gz KRLFBOVKRHFLTK-XYJFISCASA-N 1 0 401.450 3.452 50 0 HGAARO O=C(CCCc1nc2ccccc2c(=O)[nH]1)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000089866498 569267412 /nfs/dbraw/zinc/26/74/12/569267412.db2.gz GNDFDMDRFKNIDX-UHFFFAOYSA-N 1 0 409.486 3.294 50 0 HGAARO COC(=O)c1c(NC(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)sc2c1CC[C@@H](C)C2 ZINC000089930118 569268913 /nfs/dbraw/zinc/26/89/13/569268913.db2.gz KZAWAGDFWRAJQK-HZPDHXFCSA-N 1 0 419.591 3.016 50 0 HGAARO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000237752146 569281937 /nfs/dbraw/zinc/28/19/37/569281937.db2.gz NBRDNIGAFHAPEI-UHFFFAOYSA-N 1 0 416.410 3.424 50 0 HGAARO O=C(Cn1nc(C(F)F)c2c1CCC2)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252430808 569285521 /nfs/dbraw/zinc/28/55/21/569285521.db2.gz LGZYSMIYCRLFCD-KRWDZBQOSA-N 1 0 415.488 3.233 50 0 HGAARO Cc1cccc(-c2nc(NCC[NH+](C)C)nc3nn(-c4cccc(F)c4)c(N)c32)c1 ZINC000037375929 569287917 /nfs/dbraw/zinc/28/79/17/569287917.db2.gz CAAQZTWVLOYVMW-UHFFFAOYSA-N 1 0 405.481 3.486 50 0 HGAARO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000252517178 569292248 /nfs/dbraw/zinc/29/22/48/569292248.db2.gz BJTHURNOIMYEGL-ZWKOTPCHSA-N 1 0 411.527 3.324 50 0 HGAARO C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252570425 569294291 /nfs/dbraw/zinc/29/42/91/569294291.db2.gz WSQBRNLMPJFREI-JBACZVJFSA-N 1 0 412.534 3.243 50 0 HGAARO Cc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)NCCC[NH+](C)C)CC2)c1 ZINC000037524626 569303863 /nfs/dbraw/zinc/30/38/63/569303863.db2.gz FMVRGSPPFAZGMW-UHFFFAOYSA-N 1 0 422.573 3.075 50 0 HGAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819744 569320753 /nfs/dbraw/zinc/32/07/53/569320753.db2.gz HNFYDLPIMNZPEP-JOCHJYFZSA-N 1 0 420.642 3.316 50 0 HGAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)C2)CC1 ZINC000581819850 569320866 /nfs/dbraw/zinc/32/08/66/569320866.db2.gz OSJNYOSINXQSGE-QFIPXVFZSA-N 1 0 424.589 3.348 50 0 HGAARO C[C@@H]1[C@H]2CC[C@@]3(O)[C@@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@@H]2C[N@@H+]2CCCC[C@@H]12 ZINC000253487503 569381684 /nfs/dbraw/zinc/38/16/84/569381684.db2.gz LENMDDFRAPDCRB-OSDNSFSISA-N 1 0 417.634 3.432 50 0 HGAARO CSc1ccccc1C(=O)N1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000012593613 569383552 /nfs/dbraw/zinc/38/35/52/569383552.db2.gz ZKNKTGDKWLHGOK-UHFFFAOYSA-N 1 0 401.576 3.004 50 0 HGAARO CN1CCc2c(sc3nc(NCC[NH+](C)C)n(-c4cccc(Cl)c4)c(=O)c23)C1 ZINC000002403740 569395891 /nfs/dbraw/zinc/39/58/91/569395891.db2.gz CMPNWIQUPTZFCP-UHFFFAOYSA-N 1 0 417.966 3.062 50 0 HGAARO COc1ccc([C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1OC ZINC000012660090 569402597 /nfs/dbraw/zinc/40/25/97/569402597.db2.gz RZTRQDYTALSTEQ-JKSUJKDBSA-N 1 0 401.459 3.094 50 0 biogenic HGAARO COCCN(CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000079024588 569424717 /nfs/dbraw/zinc/42/47/17/569424717.db2.gz VBXPKKYANUBTPK-QUCCMNQESA-N 1 0 419.566 3.039 50 0 HGAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(OC)c(Cl)c3)[nH]c(=O)c2C1 ZINC000067291746 571068361 /nfs/dbraw/zinc/06/83/61/571068361.db2.gz QYFQQKUMBLEWCC-UHFFFAOYSA-N 1 0 422.938 3.343 50 0 HGAARO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000040024685 571140000 /nfs/dbraw/zinc/14/00/00/571140000.db2.gz JHWMHZFSSALMGJ-GOSISDBHSA-N 1 0 416.566 3.414 50 0 HGAARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008892900 571142703 /nfs/dbraw/zinc/14/27/03/571142703.db2.gz QJSRPIMQHRMRPF-LJQANCHMSA-N 1 0 401.532 3.429 50 0 HGAARO COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893647 571142934 /nfs/dbraw/zinc/14/29/34/571142934.db2.gz JCXPRCPIRDOSHC-LJQANCHMSA-N 1 0 415.559 3.106 50 0 HGAARO CN(C)S(=O)(=O)c1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Cl ZINC000040097297 571162177 /nfs/dbraw/zinc/16/21/77/571162177.db2.gz SCVCVNCNZZFXFP-UHFFFAOYSA-N 1 0 416.975 3.021 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000040112264 571170561 /nfs/dbraw/zinc/17/05/61/571170561.db2.gz NPJPNSXYESBKAI-GOSISDBHSA-N 1 0 419.525 3.221 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000040118844 571175000 /nfs/dbraw/zinc/17/50/00/571175000.db2.gz UWQBFPCCFVXFSN-HZPDHXFCSA-N 1 0 424.383 3.053 50 0 HGAARO CC1CC[NH+](CCNC(=O)c2ccc(Cl)cc2I)CC1 ZINC000040121274 571177256 /nfs/dbraw/zinc/17/72/56/571177256.db2.gz ICWFCPYGWGXHFX-UHFFFAOYSA-N 1 0 406.695 3.406 50 0 HGAARO O=S(=O)(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)c2ncccc12 ZINC000040152939 571200570 /nfs/dbraw/zinc/20/05/70/571200570.db2.gz LWDOPPKXPNGNCD-INIZCTEOSA-N 1 0 401.919 3.441 50 0 HGAARO CCc1nc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)nn1-c1c(Cl)cccc1Cl ZINC000069982361 571252583 /nfs/dbraw/zinc/25/25/83/571252583.db2.gz SPLUCSBYTLLQBN-CYBMUJFWSA-N 1 0 408.333 3.447 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000009836241 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C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1cccs1)CC2 ZINC000012127421 558331408 /nfs/dbraw/zinc/33/14/08/558331408.db2.gz VSNVBXIBXZVYLW-QGZVFWFLSA-N 1 0 409.559 3.208 50 0 HGAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ccc4nsnc4c3)C2)CC1 ZINC000020119087 558336672 /nfs/dbraw/zinc/33/66/72/558336672.db2.gz QNWVDPVAHZYNDK-IBGZPJMESA-N 1 0 423.586 3.487 50 0 HGAARO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000012154221 558339576 /nfs/dbraw/zinc/33/95/76/558339576.db2.gz BWOHOCWONCYZOV-MRXNPFEDSA-N 1 0 410.547 3.113 50 0 HGAARO O=C(CCC1CC[NH+](Cc2cnn(-c3cccc(F)c3)c2)CC1)NC[C@@H]1CCCO1 ZINC000012197782 558350265 /nfs/dbraw/zinc/35/02/65/558350265.db2.gz GICNOWZQSKFUPU-QFIPXVFZSA-N 1 0 414.525 3.299 50 0 HGAARO COc1ccccc1/C=C/C[N@H+]1CCc2nnc([C@@H](CC(C)C)NC(C)=O)n2CC1 ZINC000012211669 558354108 /nfs/dbraw/zinc/35/41/08/558354108.db2.gz DXHGZGUEQIUGBM-FHVRUZERSA-N 1 0 411.550 3.082 50 0 HGAARO CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@@H+](CC1CCCCC1)CC2 ZINC000012244531 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HGAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000012377279 558392336 /nfs/dbraw/zinc/39/23/36/558392336.db2.gz KYHDESJLQYWGPY-UHFFFAOYSA-N 1 0 419.525 3.257 50 0 HGAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000012431264 558405634 /nfs/dbraw/zinc/40/56/34/558405634.db2.gz FPORDZIAUBVJRW-QGZVFWFLSA-N 1 0 417.506 3.410 50 0 HGAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cscn4)C3)C2)c1OC ZINC000012459183 558418864 /nfs/dbraw/zinc/41/88/64/558418864.db2.gz WERVGHFRZOCHGG-NRFANRHFSA-N 1 0 401.532 3.289 50 0 HGAARO Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c(C)c1 ZINC000020908850 558421740 /nfs/dbraw/zinc/42/17/40/558421740.db2.gz JKMQVKZVROUCRK-UHFFFAOYSA-N 1 0 409.578 3.192 50 0 HGAARO CN(C(=O)CCc1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012479265 558423183 /nfs/dbraw/zinc/42/31/83/558423183.db2.gz JUBFOHGVYKUDPH-OAQYLSRUSA-N 1 0 406.526 3.438 50 0 HGAARO CC[NH+](CC)CCSc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cn1 ZINC000021663591 558445167 /nfs/dbraw/zinc/44/51/67/558445167.db2.gz DEOXGGCLQCAUKL-UHFFFAOYSA-N 1 0 412.603 3.474 50 0 HGAARO Cc1nonc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012703404 558448499 /nfs/dbraw/zinc/44/84/99/558448499.db2.gz NVTSIEKROAPJAM-LJQANCHMSA-N 1 0 416.497 3.051 50 0 HGAARO Cc1nc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc(N2CCCC2)[nH+]1 ZINC000021795112 558449150 /nfs/dbraw/zinc/44/91/50/558449150.db2.gz WNKQTQNQFISFID-UHFFFAOYSA-N 1 0 400.914 3.393 50 0 HGAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](CCCn2cccn2)CC1)c1ccccc1 ZINC000012704717 558449212 /nfs/dbraw/zinc/44/92/12/558449212.db2.gz LAUKTFPJEYZYJN-JOCHJYFZSA-N 1 0 422.533 3.133 50 0 HGAARO CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000021795120 558449277 /nfs/dbraw/zinc/44/92/77/558449277.db2.gz FWDXBYJRMKLDIS-UHFFFAOYSA-N 1 0 410.522 3.138 50 0 HGAARO Cc1nc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc(N(C)C)[nH+]1 ZINC000021795012 558449384 /nfs/dbraw/zinc/44/93/84/558449384.db2.gz FGMBCNXWFAKDGG-UHFFFAOYSA-N 1 0 408.428 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/nfs/dbraw/zinc/61/23/02/558612302.db2.gz SAGRYHCJYQGAHJ-UHFFFAOYSA-N 1 0 406.530 3.499 50 0 HGAARO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1Br ZINC000024928298 558621434 /nfs/dbraw/zinc/62/14/34/558621434.db2.gz NFJAAZFDNPTGLO-INIZCTEOSA-N 1 0 419.319 3.471 50 0 HGAARO C[NH+](C)CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000025285919 558636711 /nfs/dbraw/zinc/63/67/11/558636711.db2.gz CFMJUIGUPGIMIX-UHFFFAOYSA-N 1 0 416.330 3.086 50 0 HGAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](CCc1ccccc1)CC2 ZINC000014535559 558657972 /nfs/dbraw/zinc/65/79/72/558657972.db2.gz PTFZSAYOZLYXET-UHFFFAOYSA-N 1 0 420.557 3.376 50 0 HGAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000014536630 558658537 /nfs/dbraw/zinc/65/85/37/558658537.db2.gz HGUYISWTHFMGNQ-UHFFFAOYSA-N 1 0 421.545 3.037 50 0 HGAARO COC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccccc1 ZINC000014542947 558660881 /nfs/dbraw/zinc/66/08/81/558660881.db2.gz DPURBZXYFFQENI-LJQANCHMSA-N 1 0 401.551 3.019 50 0 HGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(OC)cc1)C2 ZINC000014543373 558660981 /nfs/dbraw/zinc/66/09/81/558660981.db2.gz GQOLSSFYPWQIOH-LJQANCHMSA-N 1 0 410.562 3.227 50 0 HGAARO CC(C)OCCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014733811 558666267 /nfs/dbraw/zinc/66/62/67/558666267.db2.gz LPJWYZFWTXNOKC-IBGZPJMESA-N 1 0 404.599 3.427 50 0 HGAARO CCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000022936182 558666470 /nfs/dbraw/zinc/66/64/70/558666470.db2.gz XEEYHRUZEZVLEF-UHFFFAOYSA-N 1 0 421.545 3.455 50 0 HGAARO CN(C)C(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](CCc2ccccc2)C1 ZINC000014741154 558666908 /nfs/dbraw/zinc/66/69/08/558666908.db2.gz MBHXOEMEQBFPLD-PKTZIBPZSA-N 1 0 419.569 3.383 50 0 HGAARO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000026913118 558666996 /nfs/dbraw/zinc/66/69/96/558666996.db2.gz XCHDRRUOCLWQAF-INIZCTEOSA-N 1 0 408.502 3.262 50 0 HGAARO Cc1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1C 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HOHDWWHUTXLHKG-KRWDZBQOSA-N 1 0 404.551 3.493 50 0 HGAARO CCOC(=O)c1n[nH]cc1CN(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000015068425 558710925 /nfs/dbraw/zinc/71/09/25/558710925.db2.gz DDHNDMAHQBZSKF-OAQYLSRUSA-N 1 0 418.582 3.222 50 0 HGAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@@H](CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000015068845 558711282 /nfs/dbraw/zinc/71/12/82/558711282.db2.gz FBPKYUSUQRINTN-NRFANRHFSA-N 1 0 410.562 3.340 50 0 HGAARO Cc1oc(-c2cccs2)nc1CN1CC[C@@H]([N@H+](C)CCc2ccccn2)[C@H](O)C1 ZINC000015077340 558717091 /nfs/dbraw/zinc/71/70/91/558717091.db2.gz QBENGADWXQUVPT-WOJBJXKFSA-N 1 0 412.559 3.216 50 0 HGAARO COc1ccc([C@H](CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)[NH+]2CCCCC2)cc1 ZINC000029755194 558720145 /nfs/dbraw/zinc/72/01/45/558720145.db2.gz VTVSUERNAKSQLN-IRLDBZIGSA-N 1 0 423.561 3.045 50 0 HGAARO CC(C)[C@@H](CNC(=O)CCc1nc(-c2ccccn2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000030637589 558734906 /nfs/dbraw/zinc/73/49/06/558734906.db2.gz BJHVXGXFFRVLKM-OAQYLSRUSA-N 1 0 419.529 3.263 50 0 HGAARO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304992 558756766 /nfs/dbraw/zinc/75/67/66/558756766.db2.gz HHPIENICULYOPB-PMACEKPBSA-N 1 0 403.592 3.031 50 0 HGAARO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c(C)c1 ZINC000033326843 558766791 /nfs/dbraw/zinc/76/67/91/558766791.db2.gz OTZYXLIUQKOEIA-UHFFFAOYSA-N 1 0 424.549 3.446 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)CCCn3c4ccccc4oc3=O)cc2C)CC1 ZINC000016299967 558784672 /nfs/dbraw/zinc/78/46/72/558784672.db2.gz PLEAOUBZZHMCIW-UHFFFAOYSA-N 1 0 422.529 3.464 50 0 HGAARO Cc1ccnc(N2CCC[C@H](C(=O)NCC3CC[NH+](Cc4ccccc4C)CC3)C2)n1 ZINC000035454369 558792140 /nfs/dbraw/zinc/79/21/40/558792140.db2.gz QJMGBXLCMNZSNA-QHCPKHFHSA-N 1 0 421.589 3.338 50 0 HGAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000016699023 558801299 /nfs/dbraw/zinc/80/12/99/558801299.db2.gz PRSARNVVZSPZAC-OAHLLOKOSA-N 1 0 421.423 3.444 50 0 HGAARO Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCC[NH+]3CCCCC3)s2)cc1 ZINC000032995121 558809241 /nfs/dbraw/zinc/80/92/41/558809241.db2.gz UARDMZJZXIFHHZ-UHFFFAOYSA-N 1 0 415.563 3.024 50 0 HGAARO O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)NCC[NH+]1CCCCCC1 ZINC000032995311 558809725 /nfs/dbraw/zinc/80/97/25/558809725.db2.gz HLCXFWGUVIKSHX-UHFFFAOYSA-N 1 0 415.563 3.105 50 0 HGAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)c2c1 ZINC000018088193 558830969 /nfs/dbraw/zinc/83/09/69/558830969.db2.gz MFTJXYFTFZAVEY-LJQANCHMSA-N 1 0 415.852 3.433 50 0 HGAARO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)CC2)c(C)c1C ZINC000033024423 558841800 /nfs/dbraw/zinc/84/18/00/558841800.db2.gz DDSBLNGISZOLEP-QGZVFWFLSA-N 1 0 416.610 3.420 50 0 HGAARO O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000053537320 558864698 /nfs/dbraw/zinc/86/46/98/558864698.db2.gz BZRJSCFKGVKLKS-HXUWFJFHSA-N 1 0 407.493 3.129 50 0 HGAARO Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)C[NH2+]CN2CCCCCC2)[C@H]3CCC1 ZINC000019320419 558867363 /nfs/dbraw/zinc/86/73/63/558867363.db2.gz KTBVROFFDADDER-YKSBVNFPSA-N 1 0 410.606 3.427 50 0 HGAARO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2ccccc2OCC)CC1 ZINC000004669418 558877232 /nfs/dbraw/zinc/87/72/32/558877232.db2.gz OQKFZRXOMVMWAX-UHFFFAOYSA-N 1 0 422.595 3.267 50 0 HGAARO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(CCc2ccccc2)CC1 ZINC000011155239 558893802 /nfs/dbraw/zinc/89/38/02/558893802.db2.gz INTBAQLLQMYIKL-KRWDZBQOSA-N 1 0 415.559 3.006 50 0 HGAARO CC(C)C[NH+](CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O)CC(C)C ZINC000004687505 558897957 /nfs/dbraw/zinc/89/79/57/558897957.db2.gz RXGSCIODIVICLM-UHFFFAOYSA-N 1 0 420.985 3.397 50 0 HGAARO CCOc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C(=O)OC)c3ccccc3)CC2)cc1 ZINC000004690047 558899562 /nfs/dbraw/zinc/89/95/62/558899562.db2.gz JSQBIPBMDGVFBI-JOCHJYFZSA-N 1 0 410.514 3.328 50 0 HGAARO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000004699009 558907192 /nfs/dbraw/zinc/90/71/92/558907192.db2.gz RVWVQIDOPKIAOT-UHFFFAOYSA-N 1 0 410.400 3.365 50 0 HGAARO COc1cc(C[NH2+]CCN2CCOCC2)ccc1OCc1c(F)cccc1Cl ZINC000019550251 558914996 /nfs/dbraw/zinc/91/49/96/558914996.db2.gz PQAPAXXUERVALT-UHFFFAOYSA-N 1 0 408.901 3.489 50 0 HGAARO C[C@H]1CCC[N@H+](CCCNC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)C1 ZINC000004710532 558916502 /nfs/dbraw/zinc/91/65/02/558916502.db2.gz SKSYPQLEPMCLNG-KRWDZBQOSA-N 1 0 416.953 3.192 50 0 HGAARO CN(Cc1nc(Cc2ccccc2F)no1)CC1([NH+]2CCOCC2)CCCCC1 ZINC000019608870 558946819 /nfs/dbraw/zinc/94/68/19/558946819.db2.gz XIYBEKDMFOQQNW-UHFFFAOYSA-N 1 0 402.514 3.266 50 0 HGAARO Cc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc(N2CCCC2)[nH+]1 ZINC000064799729 558965489 /nfs/dbraw/zinc/96/54/89/558965489.db2.gz SKGMZKDWWUMKLB-UHFFFAOYSA-N 1 0 419.451 3.366 50 0 HGAARO CCn1cncc1-c1c(-c2ccccc2)ncn1CCC[NH+]1CCC(C(N)=O)CC1 ZINC000065507618 558978105 /nfs/dbraw/zinc/97/81/05/558978105.db2.gz IDMYQFCBFSLWSH-UHFFFAOYSA-N 1 0 406.534 3.021 50 0 HGAARO C[NH+](C)CCOc1cccc2c1c(NC(=O)[C@@H]1CCOC1)nn2-c1cccc(F)c1 ZINC000072435344 558980146 /nfs/dbraw/zinc/98/01/46/558980146.db2.gz GLBDCYVSVKIDMM-OAHLLOKOSA-N 1 0 412.465 3.080 50 0 HGAARO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000067757696 558992480 /nfs/dbraw/zinc/99/24/80/558992480.db2.gz FKXSSXUYNAYXFU-FQEVSTJZSA-N 1 0 403.482 3.134 50 0 HGAARO O=C1NC(=O)[C@](Cc2ccc(F)cc2)(C2CCN(c3cc[nH+]c4ccccc43)CC2)N1 ZINC000067805983 558993164 /nfs/dbraw/zinc/99/31/64/558993164.db2.gz JHBGADZPUGEIBX-DEOSSOPVSA-N 1 0 418.472 3.411 50 0 HGAARO CCCC[NH+]1CCN(C(=O)c2cn(C(C)C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000023108683 559011522 /nfs/dbraw/zinc/01/15/22/559011522.db2.gz RVGPFKGMGHGIQG-UHFFFAOYSA-N 1 0 421.545 3.278 50 0 HGAARO COc1cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc(OC)c1OC ZINC000023128043 559016243 /nfs/dbraw/zinc/01/62/43/559016243.db2.gz HPJVKLMRPMTRAT-UHFFFAOYSA-N 1 0 404.532 3.416 50 0 HGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1Cc2ccccc2C1 ZINC000082097162 559037448 /nfs/dbraw/zinc/03/74/48/559037448.db2.gz AVSNENJAHNVGCA-HSZRJFAPSA-N 1 0 404.558 3.300 50 0 HGAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000082108397 559038640 /nfs/dbraw/zinc/03/86/40/559038640.db2.gz LHURMXNNWOQZAZ-QFIPXVFZSA-N 1 0 411.590 3.239 50 0 HGAARO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082115403 559039091 /nfs/dbraw/zinc/03/90/91/559039091.db2.gz MPJVBBNKMPIIBX-HSZRJFAPSA-N 1 0 406.574 3.383 50 0 HGAARO O[C@H](COCCOc1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023224716 559062721 /nfs/dbraw/zinc/06/27/21/559062721.db2.gz UVUNLILQKZSHRB-FQEVSTJZSA-N 1 0 408.901 3.058 50 0 HGAARO Cc1nc2cc(OCc3nc(C(=O)NCC[C@@H]4CCC[N@H+]4C)co3)ccc2s1 ZINC000091943949 559074730 /nfs/dbraw/zinc/07/47/30/559074730.db2.gz OGGOWWSYKRMEFV-AWEZNQCLSA-N 1 0 400.504 3.386 50 0 HGAARO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)c1 ZINC000092065582 559075414 /nfs/dbraw/zinc/07/54/14/559075414.db2.gz KLDSEUKDVOFQIH-HSZRJFAPSA-N 1 0 406.574 3.383 50 0 HGAARO Cn1nc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c2ccccc21 ZINC000095497021 559081587 /nfs/dbraw/zinc/08/15/87/559081587.db2.gz LOAVMCXOUMKFNI-WWPVKYPJSA-N 1 0 404.489 3.415 50 0 HGAARO Cc1cc(CN(C)Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)[nH]n1 ZINC000095521428 559085351 /nfs/dbraw/zinc/08/53/51/559085351.db2.gz SBICQBCBQYDRTD-QFIPXVFZSA-N 1 0 400.567 3.354 50 0 HGAARO Cc1cccc(C)c1NC(=O)CN1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000072309048 559162138 /nfs/dbraw/zinc/16/21/38/559162138.db2.gz CISBOUKXDSSBCI-UHFFFAOYSA-N 1 0 412.553 3.131 50 0 HGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000409415103 559250960 /nfs/dbraw/zinc/25/09/60/559250960.db2.gz TYWNKCPILYIKAG-SIKLNZKXSA-N 1 0 411.550 3.215 50 0 biogenic HGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2csc(SC)n2)CC1 ZINC000011873010 559264806 /nfs/dbraw/zinc/26/48/06/559264806.db2.gz YGBPCOLSUVAMRM-MRXNPFEDSA-N 1 0 424.636 3.098 50 0 HGAARO C[NH+](C)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc43)nc1=O)CCC2 ZINC000005254195 560551983 /nfs/dbraw/zinc/55/19/83/560551983.db2.gz BBXFFJOLZKWNMY-UHFFFAOYSA-N 1 0 422.554 3.178 50 0 HGAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000002631282 560586360 /nfs/dbraw/zinc/58/63/60/560586360.db2.gz ODDFIUJTAGTZCI-VQIMIIECSA-N 1 0 420.575 3.030 50 0 HGAARO O=C1NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1CCOc1ccccc1 ZINC000017190878 560703376 /nfs/dbraw/zinc/70/33/76/560703376.db2.gz GULRMOXARWXHCB-UHFFFAOYSA-N 1 0 413.905 3.305 50 0 HGAARO C[N@H+](Cc1ccccc1)Cc1c([O-])c(C[NH+]2CCN(c3ccccc3)CC2)coc1=O ZINC000101374413 560793460 /nfs/dbraw/zinc/79/34/60/560793460.db2.gz SOJWFFAUPXGXRB-UHFFFAOYSA-N 1 0 419.525 3.300 50 0 HGAARO O=C(COC(=O)c1ccoc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014846378 560861720 /nfs/dbraw/zinc/86/17/20/560861720.db2.gz GTIZOXZHGREOBH-UHFFFAOYSA-N 1 0 419.481 3.397 50 0 HGAARO COc1ccc(C[N@@H+](Cc2cc(=O)n3nc(C)sc3n2)CC(C)C)cc1OC ZINC000046032382 568424658 /nfs/dbraw/zinc/42/46/58/568424658.db2.gz AGUGCQJFPRVJMX-UHFFFAOYSA-N 1 0 402.520 3.135 50 0 HGAARO COc1cc(C)c(S(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1OC ZINC000048374008 568442360 /nfs/dbraw/zinc/44/23/60/568442360.db2.gz KBWBRZGMNPAHIR-UHFFFAOYSA-N 1 0 410.580 3.289 50 0 HGAARO CSc1ccccc1NC(=O)C(=O)NC[C@H](c1cn(C)c2ccccc12)[NH+](C)C ZINC000021698380 568466958 /nfs/dbraw/zinc/46/69/58/568466958.db2.gz MHXCWTYTQGJWPL-LJQANCHMSA-N 1 0 410.543 3.258 50 0 HGAARO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Br ZINC000005773350 568485806 /nfs/dbraw/zinc/48/58/06/568485806.db2.gz HBJSJSDSWMALQW-UHFFFAOYSA-N 1 0 409.349 3.392 50 0 HGAARO CC[NH+]1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3s2)CC1 ZINC000020178768 568592985 /nfs/dbraw/zinc/59/29/85/568592985.db2.gz KXNYELUXJHDJJB-UHFFFAOYSA-N 1 0 412.559 3.216 50 0 HGAARO CC[NH+]1CCN(CCCNC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)CC1 ZINC000020210134 568594224 /nfs/dbraw/zinc/59/42/24/568594224.db2.gz WMGFUJKSIJJRGA-UHFFFAOYSA-N 1 0 400.910 3.392 50 0 HGAARO CC[NH+]1CCN(CCCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)CC1 ZINC000020329930 568599174 /nfs/dbraw/zinc/59/91/74/568599174.db2.gz QSKILKXSFYMONP-UHFFFAOYSA-N 1 0 400.914 3.378 50 0 HGAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000095430325 568608947 /nfs/dbraw/zinc/60/89/47/568608947.db2.gz GJEDYGZJJYVTSN-LJQANCHMSA-N 1 0 404.514 3.304 50 0 HGAARO CC(=O)N1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000095432506 568609377 /nfs/dbraw/zinc/60/93/77/568609377.db2.gz SUWVARXENIZMGT-UTKZUKDTSA-N 1 0 403.567 3.359 50 0 HGAARO Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2C[C@H](CO)CC[C@@H]2C)c2ccccc2)cc1 ZINC000095452735 568615366 /nfs/dbraw/zinc/61/53/66/568615366.db2.gz DTNOJFNBTQNVPA-NNMXDRDESA-N 1 0 402.560 3.107 50 0 HGAARO Brc1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3cncn3)C1)OCCCO2 ZINC000095464605 568622598 /nfs/dbraw/zinc/62/25/98/568622598.db2.gz QLAZYAKDRMXELD-AWEZNQCLSA-N 1 0 407.312 3.114 50 0 HGAARO O=C(NCCCC[NH+]1CCOCC1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000040152308 568625299 /nfs/dbraw/zinc/62/52/99/568625299.db2.gz GHONLWFHJAYMIO-UHFFFAOYSA-N 1 0 414.481 3.312 50 0 HGAARO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000225460089 568639940 /nfs/dbraw/zinc/63/99/40/568639940.db2.gz MCCRXIXJLQKVMB-HKUYNNGSSA-N 1 0 416.566 3.336 50 0 HGAARO CC[NH+]1CCN([C@@H](c2ccccc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098066 568665950 /nfs/dbraw/zinc/66/59/50/568665950.db2.gz RYLLGGAZTIEQES-QHCPKHFHSA-N 1 0 407.514 3.231 50 0 aggregator HGAARO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000225759540 568671770 /nfs/dbraw/zinc/67/17/70/568671770.db2.gz IQEQXPJFZYNMCB-LEWJYISDSA-N 1 0 407.539 3.003 50 0 HGAARO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1NC(=O)CC(C)C ZINC000096006415 568682577 /nfs/dbraw/zinc/68/25/77/568682577.db2.gz ZRRZSLAUIGSMLI-QFIPXVFZSA-N 1 0 423.557 3.476 50 0 HGAARO CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(Br)s2)C3)CC1 ZINC000021262375 568685710 /nfs/dbraw/zinc/68/57/10/568685710.db2.gz CRKAQKLZOBCEGS-UHFFFAOYSA-N 1 0 422.396 3.001 50 0 HGAARO Cc1nc2cc(NC(=O)c3cc(-c4cccnc4)[nH]n3)ccc2n1CCC[NH+](C)C ZINC000096116790 568696153 /nfs/dbraw/zinc/69/61/53/568696153.db2.gz SGMYMCGPTRPPRV-UHFFFAOYSA-N 1 0 403.490 3.334 50 0 HGAARO CCC[NH+](CCC)CCNC(=O)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000021535459 568711754 /nfs/dbraw/zinc/71/17/54/568711754.db2.gz VREJQDMJGHEQLY-UHFFFAOYSA-N 1 0 404.584 3.171 50 0 HGAARO COCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(O)c(OC)c2)CC1 ZINC000096281076 568718561 /nfs/dbraw/zinc/71/85/61/568718561.db2.gz XQZRUMCMJZZNDX-UHFFFAOYSA-N 1 0 402.466 3.184 50 0 HGAARO CO[C@@](C)(C(=O)N1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1)c1ccccc1F ZINC000240423806 568730089 /nfs/dbraw/zinc/73/00/89/568730089.db2.gz FRBKMPGVLBGIBR-GAJHUEQPSA-N 1 0 414.525 3.412 50 0 HGAARO CO[C@](C)(C(=O)N1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1)c1ccccc1F ZINC000240423808 568730130 /nfs/dbraw/zinc/73/01/30/568730130.db2.gz FRBKMPGVLBGIBR-SBUREZEXSA-N 1 0 414.525 3.412 50 0 HGAARO Cc1cc(OCC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c2c3c(c(=O)oc2c1)CCC3 ZINC000096343730 568737149 /nfs/dbraw/zinc/73/71/49/568737149.db2.gz GZKZUSFMHOOODR-YLJYHZDGSA-N 1 0 424.541 3.350 50 0 HGAARO Cc1sc2cc(C(=O)N3CCN(c4ccccn4)CC3)[nH]c2c1C[NH+]1CCCC1 ZINC000096363755 568739575 /nfs/dbraw/zinc/73/95/75/568739575.db2.gz VADOZNFUYJEKED-UHFFFAOYSA-N 1 0 409.559 3.491 50 0 HGAARO CCCC[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000096398346 568746913 /nfs/dbraw/zinc/74/69/13/568746913.db2.gz DVWNIVGSWDXLGC-KRWDZBQOSA-N 1 0 403.592 3.033 50 0 HGAARO O=S(=O)(NCC[NH+]1CCCC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000263640152 568824238 /nfs/dbraw/zinc/82/42/38/568824238.db2.gz ZHEWBQCWEQIEFV-UHFFFAOYSA-N 1 0 415.437 3.267 50 0 HGAARO Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)CC2=O)c1C ZINC000029369687 568825018 /nfs/dbraw/zinc/82/50/18/568825018.db2.gz NTHWFDBNQCQIAK-FQEVSTJZSA-N 1 0 420.557 3.355 50 0 HGAARO CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCCN(c3cnccn3)C2)c2cccs2)CC1 ZINC000029754325 568828939 /nfs/dbraw/zinc/82/89/39/568828939.db2.gz FZIWYLRRDCLRKB-RBUKOAKNSA-N 1 0 413.591 3.344 50 0 HGAARO C[NH+]1CCC(NCCc2c[nH]c3ccccc23)(c2nnnn2C2CCCCC2)CC1 ZINC000006002064 568834907 /nfs/dbraw/zinc/83/49/07/568834907.db2.gz ZTTGVWRUPOYELX-UHFFFAOYSA-N 1 0 407.566 3.413 50 0 HGAARO C[C@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000057789063 568860876 /nfs/dbraw/zinc/86/08/76/568860876.db2.gz IRUSWNFQDXPMQT-HNNXBMFYSA-N 1 0 421.950 3.414 50 0 HGAARO Cc1cccc(C[NH+]2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)c1 ZINC000299767175 568873939 /nfs/dbraw/zinc/87/39/39/568873939.db2.gz GXGMKYXIQQRVCS-HSZRJFAPSA-N 1 0 412.505 3.405 50 0 HGAARO Cc1csc2nc(CN3C(=O)CC[C@@H]3CC[NH2+]CCOc3ccc(F)cc3)cn12 ZINC000299777966 568874658 /nfs/dbraw/zinc/87/46/58/568874658.db2.gz MBDMFLAKHTWDBF-GOSISDBHSA-N 1 0 416.522 3.393 50 0 HGAARO COc1ccc(CCn2c(C)cc(C(=O)CSc3nc(N)cc(N)[nH+]3)c2C)cc1 ZINC000003361938 568888112 /nfs/dbraw/zinc/88/81/12/568888112.db2.gz DQSHDZJJCZIABP-UHFFFAOYSA-N 1 0 411.531 3.286 50 0 HGAARO C[NH+](C)CCCn1c2ccccc2n(C[C@@H](O)c2ccc(Br)cc2)c1=N ZINC000001237076 568906414 /nfs/dbraw/zinc/90/64/14/568906414.db2.gz ZOXORTFDXCFOKL-LJQANCHMSA-N 1 0 417.351 3.370 50 0 HGAARO CN(C[C@@H](NC(=O)NCCc1cccs1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058438142 568918803 /nfs/dbraw/zinc/91/88/03/568918803.db2.gz SUGRCMSOTFJOOJ-OAQYLSRUSA-N 1 0 400.592 3.357 50 0 HGAARO O=C(NCCNc1ccc(C(F)(F)F)cn1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031662344 568929115 /nfs/dbraw/zinc/92/91/15/568929115.db2.gz GQWRMVVPPWKVAR-UHFFFAOYSA-N 1 0 421.467 3.476 50 0 HGAARO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012764626 568947626 /nfs/dbraw/zinc/94/76/26/568947626.db2.gz WESLBIICXGVVAX-INIZCTEOSA-N 1 0 413.493 3.229 50 0 HGAARO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nnnn2n1)[NH+](C)C ZINC000084410251 568948790 /nfs/dbraw/zinc/94/87/90/568948790.db2.gz DDSVCKRCVJBJII-INIZCTEOSA-N 1 0 408.337 3.419 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677524 568965733 /nfs/dbraw/zinc/96/57/33/568965733.db2.gz FFMCKWMFJFDUOY-UHFFFAOYSA-N 1 0 416.525 3.127 50 0 HGAARO CC[NH+](CC)CCCNC(=O)CCCN1c2ncccc2O[C@H](c2ccccc2)C1=O ZINC000015677896 568966097 /nfs/dbraw/zinc/96/60/97/568966097.db2.gz IXWRCAOEZMHVNI-JOCHJYFZSA-N 1 0 424.545 3.177 50 0 HGAARO C[NH+](C)C1(CNC(=O)C[C@H](c2cnc3ccccc3n2)n2ccnc2)CCCCC1 ZINC000008216659 568983139 /nfs/dbraw/zinc/98/31/39/568983139.db2.gz UHENULNGIGUVNN-OAQYLSRUSA-N 1 0 406.534 3.187 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)cc1C ZINC000104504456 569008807 /nfs/dbraw/zinc/00/88/07/569008807.db2.gz QKGWCPKGGHPHSH-HSZRJFAPSA-N 1 0 420.557 3.463 50 0 HGAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000012844913 569010128 /nfs/dbraw/zinc/01/01/28/569010128.db2.gz SFIBMQSVJOTCSF-UHFFFAOYSA-N 1 0 410.486 3.455 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000015942060 569024183 /nfs/dbraw/zinc/02/41/83/569024183.db2.gz NTEYKFUGBCPPGP-RTBURBONSA-N 1 0 401.551 3.352 50 0 HGAARO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000229755937 569040679 /nfs/dbraw/zinc/04/06/79/569040679.db2.gz FPJRZUDGFHBPHE-AZUAARDMSA-N 1 0 409.530 3.393 50 0 HGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000409414042 569051557 /nfs/dbraw/zinc/05/15/57/569051557.db2.gz MXKDTEPHUHMETM-FXAWDEMLSA-N 1 0 424.545 3.322 50 0 biogenic HGAARO C[NH+](C)C[C@@H](O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000001829057 569056277 /nfs/dbraw/zinc/05/62/77/569056277.db2.gz LIHDYPZAJXATFM-CQSZACIVSA-N 1 0 403.331 3.111 50 0 HGAARO CN(C)C(=O)C1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000089310383 569058412 /nfs/dbraw/zinc/05/84/12/569058412.db2.gz NCXQODGSTREKBI-UHFFFAOYSA-N 1 0 403.324 3.206 50 0 HGAARO C[NH+]1CCN(c2nc3nn(-c4ccccc4)c(N)c3c(-c3ccc(Cl)cc3)n2)CC1 ZINC000035925717 569066484 /nfs/dbraw/zinc/06/64/84/569066484.db2.gz KILFXLJGBLXIOY-UHFFFAOYSA-N 1 0 419.920 3.470 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@@H](C)[NH+]3CCCC3)csc2C1 ZINC000426727488 569074066 /nfs/dbraw/zinc/07/40/66/569074066.db2.gz MLGLUKYELMGCDW-CQSZACIVSA-N 1 0 402.564 3.125 50 0 HGAARO Cc1c(OCC(=O)NCCC[NH+](C)C)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000006660344 569082999 /nfs/dbraw/zinc/08/29/99/569082999.db2.gz AEEVPRNQZCRBCD-UHFFFAOYSA-N 1 0 422.525 3.447 50 0 HGAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1 ZINC000036098498 569090855 /nfs/dbraw/zinc/09/08/55/569090855.db2.gz HJMOYUVBLFVWEI-LJQANCHMSA-N 1 0 415.486 3.130 50 0 HGAARO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCC(C)C)c1 ZINC000036098473 569090912 /nfs/dbraw/zinc/09/09/12/569090912.db2.gz JJEVFARBIUGXSW-FQEVSTJZSA-N 1 0 401.503 3.460 50 0 HGAARO Cc1ccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COCc2ccccc2)c(C)c1 ZINC000036098854 569090951 /nfs/dbraw/zinc/09/09/51/569090951.db2.gz FFQCSGFPJKCLQQ-RUZDIDTESA-N 1 0 412.574 3.015 50 0 HGAARO CC[C@H](C)[N@H+](CCNC(=O)Cn1c(=O)c2cccn2c2cccnc21)C1CCCCC1 ZINC000006797308 569125192 /nfs/dbraw/zinc/12/51/92/569125192.db2.gz KNZGPMCAJOGTBJ-SFHVURJKSA-N 1 0 423.561 3.199 50 0 HGAARO C[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309085 569129911 /nfs/dbraw/zinc/12/99/11/569129911.db2.gz YJMIRHVDCFQELY-UWJYYQICSA-N 1 0 414.571 3.346 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3nc(N4CCOCC4)sc3c2)C1 ZINC000006806348 569130973 /nfs/dbraw/zinc/13/09/73/569130973.db2.gz HDHVHNAVHDKTKZ-CALCHBBNSA-N 1 0 416.591 3.231 50 0 HGAARO CCC[C@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2cccc(F)c2)CC1 ZINC000036340699 569141633 /nfs/dbraw/zinc/14/16/33/569141633.db2.gz IJEQGPWONWVTRL-FQEVSTJZSA-N 1 0 400.542 3.360 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2F)CC1 ZINC000036341511 569142027 /nfs/dbraw/zinc/14/20/27/569142027.db2.gz POGZKLDMDFBIEJ-QHCPKHFHSA-N 1 0 424.520 3.150 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2OC)CC1 ZINC000036345256 569143193 /nfs/dbraw/zinc/14/31/93/569143193.db2.gz AVTPQNCFAUGHHR-JOCHJYFZSA-N 1 0 406.530 3.010 50 0 HGAARO Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)NCC[NH+](C)C)CC1 ZINC000065006655 569152883 /nfs/dbraw/zinc/15/28/83/569152883.db2.gz VMOHUMUJZRLRRJ-UHFFFAOYSA-N 1 0 414.575 3.039 50 0 HGAARO Cc1cccc(N2N=C(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCC2=O)c1 ZINC000006864024 569158765 /nfs/dbraw/zinc/15/87/65/569158765.db2.gz ZJTXOKQJCJEFNR-UHFFFAOYSA-N 1 0 404.514 3.259 50 0 HGAARO Cc1oc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)nc1C[S@](=O)c1ccccc1 ZINC000006941168 569186651 /nfs/dbraw/zinc/18/66/51/569186651.db2.gz TVCZGTZFGLEBEL-GDLZYMKVSA-N 1 0 411.527 3.249 50 0 HGAARO CCOc1ccc(NC(=O)c2cnc(N3CC[NH+](C4CCCCC4)CC3)nc2N)cc1 ZINC000065154833 569187907 /nfs/dbraw/zinc/18/79/07/569187907.db2.gz JCIWROLBQJSTNX-UHFFFAOYSA-N 1 0 424.549 3.165 50 0 HGAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000006992443 569196424 /nfs/dbraw/zinc/19/64/24/569196424.db2.gz SVGBYZXYJHUQNM-UHFFFAOYSA-N 1 0 423.538 3.479 50 0 HGAARO CC[NH+]1CCN(CCNC(=O)c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)CC1 ZINC000065229922 569200642 /nfs/dbraw/zinc/20/06/42/569200642.db2.gz PEHPLAQXVPKWPZ-UHFFFAOYSA-N 1 0 411.937 3.022 50 0 HGAARO COc1cccc(CNC(=O)c2cccnc2N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065255811 569207993 /nfs/dbraw/zinc/20/79/93/569207993.db2.gz DPQJJBKQONXVLW-JOCHJYFZSA-N 1 0 402.498 3.171 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c(C)oc3ncn(C)c(=O)c32)o1 ZINC000065329564 569224843 /nfs/dbraw/zinc/22/48/43/569224843.db2.gz ZJVPDFNRTRHKJR-OAHLLOKOSA-N 1 0 412.490 3.122 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccnc(OCC2CCOCC2)c1 ZINC000239593082 569235632 /nfs/dbraw/zinc/23/56/32/569235632.db2.gz DOBHZUPNLJDUPE-UHFFFAOYSA-N 1 0 409.530 3.281 50 0 HGAARO CCc1nsc(N2CC[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 ZINC000170591419 569240616 /nfs/dbraw/zinc/24/06/16/569240616.db2.gz ASPYAYDBFPEPMU-UHFFFAOYSA-N 1 0 409.600 3.260 50 0 HGAARO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)CC1 ZINC000170591334 569240712 /nfs/dbraw/zinc/24/07/12/569240712.db2.gz LQZHUWDNKMASHT-IBGZPJMESA-N 1 0 405.539 3.397 50 0 HGAARO O=C(CC[C@H](O)c1ccc2c(c1)CCC(=O)N2)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000170597790 569242197 /nfs/dbraw/zinc/24/21/97/569242197.db2.gz WDJHVOIQPUXOTG-GMAHTHKFSA-N 1 0 421.541 3.166 50 0 HGAARO C[NH+](C)C1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC000170620651 569248805 /nfs/dbraw/zinc/24/88/05/569248805.db2.gz GMLDJAPYAXQJLW-UHFFFAOYSA-N 1 0 400.445 3.100 50 0 HGAARO CCOc1ccc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)cc1 ZINC000013579118 569256312 /nfs/dbraw/zinc/25/63/12/569256312.db2.gz IFLXZSNBAOHORU-IBGZPJMESA-N 1 0 422.514 3.211 50 0 HGAARO Cc1cccc(C(=O)N2CCC[N@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000170639686 569281343 /nfs/dbraw/zinc/28/13/43/569281343.db2.gz UGUZSXWUBGIULH-LJQANCHMSA-N 1 0 401.551 3.400 50 0 HGAARO Cc1cc(CN2CCC([NH+]3CCN(c4cc(C(F)(F)F)ccn4)CC3)CC2)on1 ZINC000252488764 569289491 /nfs/dbraw/zinc/28/94/91/569289491.db2.gz IYLCWJVMEWZQNL-UHFFFAOYSA-N 1 0 409.456 3.183 50 0 HGAARO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000195675467 569312938 /nfs/dbraw/zinc/31/29/38/569312938.db2.gz RLATZYFAFWOKSY-GOSISDBHSA-N 1 0 410.514 3.066 50 0 HGAARO COc1ccc(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)n(C)n2)c(OC)c1 ZINC000225407568 569394054 /nfs/dbraw/zinc/39/40/54/569394054.db2.gz MQBBIEKHQOAWIV-OXQOHEQNSA-N 1 0 412.534 3.099 50 0 biogenic HGAARO CN1CCc2c(sc3nc(SCC[NH+](C)C)n(-c4ccccc4)c(=O)c32)C1 ZINC000002413101 569397082 /nfs/dbraw/zinc/39/70/82/569397082.db2.gz HEPBOBDMPQYVQC-UHFFFAOYSA-N 1 0 400.573 3.089 50 0 HGAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013068781 569408478 /nfs/dbraw/zinc/40/84/78/569408478.db2.gz RPFBVQPIVYJZTG-GOSISDBHSA-N 1 0 415.559 3.239 50 0 HGAARO Cc1occc1C(=O)N(C)CCN(CC[NH+]1CCCCC1)C(=O)c1ccoc1C ZINC000328592075 569415296 /nfs/dbraw/zinc/41/52/96/569415296.db2.gz VXMAGCURXXDSAW-UHFFFAOYSA-N 1 0 401.507 3.190 50 0 HGAARO C[NH+](C)CCCOC1CCN(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1 ZINC000079068031 569426531 /nfs/dbraw/zinc/42/65/31/569426531.db2.gz NBHIPCFCPBBGOW-UHFFFAOYSA-N 1 0 421.542 3.233 50 0 HGAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286937 571065137 /nfs/dbraw/zinc/06/51/37/571065137.db2.gz FWZBATGFQPOQQE-IBGZPJMESA-N 1 0 403.548 3.456 50 0 HGAARO CCC[N@@H+]1CCc2nc(SCC(=O)N(C)c3cccc(Cl)c3)[nH]c(=O)c2C1 ZINC000067291897 571067982 /nfs/dbraw/zinc/06/79/82/571067982.db2.gz KEIGOVJYTQSGEA-UHFFFAOYSA-N 1 0 406.939 3.359 50 0 HGAARO Nc1cc(N)[nH+]c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n1 ZINC000008746943 571111192 /nfs/dbraw/zinc/11/11/92/571111192.db2.gz DLBXMRWCZFVLJM-LLVKDONJSA-N 1 0 416.557 3.234 50 0 HGAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cn2ccccc2=O)o1 ZINC000040046888 571143198 /nfs/dbraw/zinc/14/31/98/571143198.db2.gz BSWWJZAZXLJBQY-UHFFFAOYSA-N 1 0 405.498 3.406 50 0 HGAARO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1 ZINC000040112683 571170792 /nfs/dbraw/zinc/17/07/92/571170792.db2.gz DPVQUCIAAAIFJO-SFHVURJKSA-N 1 0 421.607 3.149 50 0 HGAARO CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000040120291 571176415 /nfs/dbraw/zinc/17/64/15/571176415.db2.gz KPCPFFGCUKCMBH-INIZCTEOSA-N 1 0 411.468 3.045 50 0 HGAARO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000040155914 571203104 /nfs/dbraw/zinc/20/31/04/571203104.db2.gz NRVHZLTWTWFRQL-UHFFFAOYSA-N 1 0 403.530 3.205 50 0 HGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009824143 571286397 /nfs/dbraw/zinc/28/63/97/571286397.db2.gz RAAVOIBPMVIKAG-HXUWFJFHSA-N 1 0 424.504 3.390 50 0 HGAARO COc1ccc(CCS(=O)(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1 ZINC000077104196 571311684 /nfs/dbraw/zinc/31/16/84/571311684.db2.gz SUPQLPMKQOWTLU-UHFFFAOYSA-N 1 0 408.589 3.098 50 0 HGAARO Cc1nn([C@@H](C)C(=O)NCCC[NH+]2CCCCC2)c(=O)c2c3ccccc3sc21 ZINC000020466979 571314705 /nfs/dbraw/zinc/31/47/05/571314705.db2.gz ZSNYXQKSTVCLMT-INIZCTEOSA-N 1 0 412.559 3.473 50 0 HGAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3ccccc3C(=O)OC)c3ccccc32)CC1 ZINC000004101267 132271023 /nfs/dbraw/zinc/27/10/23/132271023.db2.gz WUCYLECPMWLREK-UHFFFAOYSA-N 1 0 418.497 3.416 50 0 HGAARO CC[NH+](CC)CCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21 ZINC000004932435 132295625 /nfs/dbraw/zinc/29/56/25/132295625.db2.gz ISTIQAMPEIJUFP-QNGOZBTKSA-N 1 0 411.477 3.050 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCC(=O)N2C[C@H](C)Oc3ccccc32)C1 ZINC000006798331 132317214 /nfs/dbraw/zinc/31/72/14/132317214.db2.gz RKRQHGNWAYNPFJ-QRVBRYPASA-N 1 0 401.551 3.065 50 0 HGAARO CN1c2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)ccc2N2CCCC[C@H]2C1=O ZINC000009528820 132340629 /nfs/dbraw/zinc/34/06/29/132340629.db2.gz RBUMMOVOJSWFBL-QFIPXVFZSA-N 1 0 420.557 3.274 50 0 HGAARO COC(=O)CC[C@@H](C)[NH+]1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000012320368 132358532 /nfs/dbraw/zinc/35/85/32/132358532.db2.gz SNLKPZKGLKZJSA-HXUWFJFHSA-N 1 0 415.578 3.169 50 0 HGAARO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033019012 132500488 /nfs/dbraw/zinc/50/04/88/132500488.db2.gz NWPPMEFWZGPFSE-LJQANCHMSA-N 1 0 420.561 3.091 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccsc1 ZINC000031983980 520831765 /nfs/dbraw/zinc/83/17/65/520831765.db2.gz PMHBKFASCZJSFL-FQEVSTJZSA-N 1 0 414.575 3.195 50 0 HGAARO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245237528 521372673 /nfs/dbraw/zinc/37/26/73/521372673.db2.gz MGJMOSOSEXRDQM-IRXDYDNUSA-N 1 0 404.580 3.496 50 0 HGAARO CC[NH+]1CCN(CCOc2ccc3c(c2)occ(-c2ccc(OC)cc2)c3=O)CC1 ZINC000020590233 521683571 /nfs/dbraw/zinc/68/35/71/521683571.db2.gz WLLMMSZKVUYHKT-UHFFFAOYSA-N 1 0 408.498 3.485 50 0 biogenic HGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CN1Cc1ccccc1Cl ZINC000032580908 521744977 /nfs/dbraw/zinc/74/49/77/521744977.db2.gz NGPYNAQWFXUODB-PXNSSMCTSA-N 1 0 407.892 3.487 50 0 HGAARO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(F)cc3Br)cc2)CC1 ZINC000032675921 523925503 /nfs/dbraw/zinc/92/55/03/523925503.db2.gz ISJNRBKNCVMMBO-UHFFFAOYSA-N 1 0 422.298 3.358 50 0 HGAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)CC1 ZINC000020540454 524560467 /nfs/dbraw/zinc/56/04/67/524560467.db2.gz UCPAGMAKAFZZKN-GOSISDBHSA-N 1 0 415.607 3.004 50 0 HGAARO Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)NCCC[NH+]3CCCC3)c2cc1C ZINC000032945087 525668792 /nfs/dbraw/zinc/66/87/92/525668792.db2.gz PBPHFEFEHDSTGS-HNNXBMFYSA-N 1 0 424.467 3.195 50 0 HGAARO Cc1nn2c(nc(-c3ccccc3)cc2N2CC[NH+](CCO)CC2)c1-c1ccccc1 ZINC000020546494 526310083 /nfs/dbraw/zinc/31/00/83/526310083.db2.gz MTHOJIJARWDIJS-UHFFFAOYSA-N 1 0 413.525 3.486 50 0 HGAARO COc1ccc2[nH+]c(C)cc(N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)c2c1 ZINC000009220951 537048477 /nfs/dbraw/zinc/04/84/77/537048477.db2.gz GOMIBGBSIZKNFI-UHFFFAOYSA-N 1 0 420.513 3.463 50 0 HGAARO O=C(CCc1ccccc1)N1CCC([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000034912183 557486877 /nfs/dbraw/zinc/48/68/77/557486877.db2.gz RRXIBUJYYIBPPP-UHFFFAOYSA-N 1 0 411.590 3.335 50 0 HGAARO COc1cc(F)ccc1S(=O)(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004318217 557540428 /nfs/dbraw/zinc/54/04/28/557540428.db2.gz WEESSCCYGRDPCI-UHFFFAOYSA-N 1 0 408.539 3.109 50 0 HGAARO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(OC)cc3)C2=O)cc1 ZINC000004438642 557555552 /nfs/dbraw/zinc/55/55/52/557555552.db2.gz LICUBWZNKBKNNS-OAQYLSRUSA-N 1 0 424.497 3.116 50 0 biogenic HGAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2nc3ccc(OC)cc3s2)C1 ZINC000004757465 557594935 /nfs/dbraw/zinc/59/49/35/557594935.db2.gz HUJBQTCQPSDAKW-INIZCTEOSA-N 1 0 404.580 3.369 50 0 HGAARO Cn1nnnc1SCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000005325116 557644948 /nfs/dbraw/zinc/64/49/48/557644948.db2.gz BWCHNKQUQJKCPT-UHFFFAOYSA-N 1 0 407.902 3.464 50 0 HGAARO O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000022883381 557843597 /nfs/dbraw/zinc/84/35/97/557843597.db2.gz QRRMIVPNQNDJJM-UHFFFAOYSA-N 1 0 413.543 3.465 50 0 HGAARO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011661622 558265595 /nfs/dbraw/zinc/26/55/95/558265595.db2.gz YRXLBFVAAKEIJO-IBGZPJMESA-N 1 0 412.530 3.283 50 0 HGAARO O=C(CCC1CC[NH+](Cc2cc(F)ccc2-n2cccn2)CC1)NC[C@@H]1CCCO1 ZINC000011662232 558265901 /nfs/dbraw/zinc/26/59/01/558265901.db2.gz RJRUVRPUNSSVMX-NRFANRHFSA-N 1 0 414.525 3.299 50 0 HGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000011763046 558273658 /nfs/dbraw/zinc/27/36/58/558273658.db2.gz ZYKDWGBQVYZCJV-SFHVURJKSA-N 1 0 404.470 3.452 50 0 HGAARO COCC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3c(OC)ccc4ccccc43)CC2)O1 ZINC000011786380 558276292 /nfs/dbraw/zinc/27/62/92/558276292.db2.gz NRTYATDCTNZDHB-IBGZPJMESA-N 1 0 412.530 3.125 50 0 HGAARO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C2CCN(C(C)=O)CC2)C1 ZINC000011817522 558280964 /nfs/dbraw/zinc/28/09/64/558280964.db2.gz LOGBHXDZHUPWOZ-JOCHJYFZSA-N 1 0 408.489 3.164 50 0 HGAARO CCOc1ccc(CN2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)cc1Cl ZINC000011821475 558284801 /nfs/dbraw/zinc/28/48/01/558284801.db2.gz AWGXCBJOJFHRDF-NHCUHLMSSA-N 1 0 403.954 3.243 50 0 HGAARO O=C(c1cn(CCc2ccccc2)nn1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000011842493 558287607 /nfs/dbraw/zinc/28/76/07/558287607.db2.gz ZBDVASOPTLCDBA-UHFFFAOYSA-N 1 0 419.573 3.247 50 0 HGAARO COC(=O)CCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000011878710 558293090 /nfs/dbraw/zinc/29/30/90/558293090.db2.gz ADHCKOSWUGLWOI-JOCHJYFZSA-N 1 0 416.562 3.168 50 0 HGAARO COc1cc(CN2CC[N@H+](Cc3c[nH]c4ccccc34)C[C@@H]2CCO)cc(OC)c1 ZINC000019837810 558293111 /nfs/dbraw/zinc/29/31/11/558293111.db2.gz SGULMEIZOAKGCK-FQEVSTJZSA-N 1 0 409.530 3.254 50 0 HGAARO O=C([C@H]1CCC(=O)N(CCc2cccc(F)c2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019840365 558293935 /nfs/dbraw/zinc/29/39/35/558293935.db2.gz RXRPZAYGQKIVHF-FQEVSTJZSA-N 1 0 415.553 3.084 50 0 HGAARO O=C(C1CC[NH+](C2CCN(C(=O)c3ccccc3Cl)CC2)CC1)N1CCCC1 ZINC000011933912 558298284 /nfs/dbraw/zinc/29/82/84/558298284.db2.gz ISJWBLNOFAJZAG-UHFFFAOYSA-N 1 0 403.954 3.279 50 0 HGAARO Cc1ccc(N2C(=O)c3ccccc3/C(=C\NCCC[NH+]3CCOCC3)C2=O)cc1C ZINC000019881308 558301064 /nfs/dbraw/zinc/30/10/64/558301064.db2.gz UTMCCGOUCKJNQE-HAVVHWLPSA-N 1 0 419.525 3.143 50 0 HGAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000011981814 558306150 /nfs/dbraw/zinc/30/61/50/558306150.db2.gz WPHNIYKLUGFGAY-OAQYLSRUSA-N 1 0 410.514 3.195 50 0 HGAARO COC(=O)CCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012025126 558309878 /nfs/dbraw/zinc/30/98/78/558309878.db2.gz SZKBGFKGTVEJCC-KRWDZBQOSA-N 1 0 414.468 3.372 50 0 HGAARO CC1(C)C[C@@H](N2C(=O)CC[C@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)CCO1 ZINC000012052127 558314307 /nfs/dbraw/zinc/31/43/07/558314307.db2.gz SFIHXFZBAUZLMB-HOTGVXAUSA-N 1 0 408.926 3.497 50 0 HGAARO OCC[NH+]1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)CC1 ZINC000020057819 558328998 /nfs/dbraw/zinc/32/89/98/558328998.db2.gz SHRZOXBFQGZKAE-UHFFFAOYSA-N 1 0 413.319 3.174 50 0 HGAARO COc1ccc(-c2noc(CN3CCC([NH+]4CCCCC4)CC3)n2)c(OC)c1OC ZINC000020203332 558345905 /nfs/dbraw/zinc/34/59/05/558345905.db2.gz FCEDTYAEYWYNEI-UHFFFAOYSA-N 1 0 416.522 3.213 50 0 HGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1CCO ZINC000020203021 558346046 /nfs/dbraw/zinc/34/60/46/558346046.db2.gz NOCNTCCVEKQEMY-DEOSSOPVSA-N 1 0 408.521 3.389 50 0 HGAARO O=C(NCCCc1ccccc1)[C@@H]1CC12CC[NH+](Cc1ccc(OCCO)cc1)CC2 ZINC000012245117 558361495 /nfs/dbraw/zinc/36/14/95/558361495.db2.gz TYHYOUBMHTUKLK-DEOSSOPVSA-N 1 0 422.569 3.409 50 0 HGAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC000020449826 558364809 /nfs/dbraw/zinc/36/48/09/558364809.db2.gz UOSHCDHVTQJRLY-HSZRJFAPSA-N 1 0 422.573 3.440 50 0 HGAARO CCc1[nH]nc(C(=O)N(CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)c1C ZINC000012306319 558375314 /nfs/dbraw/zinc/37/53/14/558375314.db2.gz PJVUERJPTAWMAW-UHFFFAOYSA-N 1 0 416.541 3.420 50 0 HGAARO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000012308379 558376756 /nfs/dbraw/zinc/37/67/56/558376756.db2.gz JJWYADLMTYBYSR-UHFFFAOYSA-N 1 0 402.498 3.450 50 0 HGAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3c(C)nc4ncccn43)CC2)cc1 ZINC000012316887 558380186 /nfs/dbraw/zinc/38/01/86/558380186.db2.gz ZXRMGITVXRXXQW-UHFFFAOYSA-N 1 0 421.545 3.073 50 0 HGAARO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)C3=CCCC3)CC2)c(Cl)c1 ZINC000012373647 558390734 /nfs/dbraw/zinc/39/07/34/558390734.db2.gz BBOHIBUEOVLRBO-UHFFFAOYSA-N 1 0 419.953 3.112 50 0 HGAARO O=C(NCc1ccncc1)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000012435445 558408747 /nfs/dbraw/zinc/40/87/47/558408747.db2.gz IGDTUCPFXRRYRS-UHFFFAOYSA-N 1 0 419.529 3.220 50 0 HGAARO O=C(NC[C@H]1CCC[N@H+](CCCn2cccn2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012439419 558410769 /nfs/dbraw/zinc/41/07/69/558410769.db2.gz WWJDUPWHAJUPFE-GOSISDBHSA-N 1 0 400.954 3.487 50 0 HGAARO CCn1ncc(CN2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1C ZINC000020995602 558426822 /nfs/dbraw/zinc/42/68/22/558426822.db2.gz BBZYALXSVXPQCN-OAQYLSRUSA-N 1 0 400.567 3.368 50 0 HGAARO Cc1nonc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012703398 558448489 /nfs/dbraw/zinc/44/84/89/558448489.db2.gz NVTSIEKROAPJAM-IBGZPJMESA-N 1 0 416.497 3.051 50 0 HGAARO CCn1cc(C[NH+]2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1 ZINC000012710060 558451880 /nfs/dbraw/zinc/45/18/80/558451880.db2.gz ZYMRASLJMQFPCN-UHFFFAOYSA-N 1 0 422.533 3.344 50 0 HGAARO CCn1cc(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)c(=O)c2ccc(C)nc21 ZINC000012791078 558465621 /nfs/dbraw/zinc/46/56/21/558465621.db2.gz AKMIYFONEKKUHR-UHFFFAOYSA-N 1 0 406.530 3.497 50 0 HGAARO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000012985720 558495265 /nfs/dbraw/zinc/49/52/65/558495265.db2.gz HEUBMONCRRCIKJ-NRFANRHFSA-N 1 0 418.944 3.299 50 0 HGAARO COc1ccccc1[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)[NH+]1CCCC1 ZINC000022680283 558504224 /nfs/dbraw/zinc/50/42/24/558504224.db2.gz VYUZMRDGLPPQKP-NRFANRHFSA-N 1 0 407.514 3.389 50 0 HGAARO C[C@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(F)c1 ZINC000013038723 558505709 /nfs/dbraw/zinc/50/57/09/558505709.db2.gz BEVSCLIXBHGXTD-INIZCTEOSA-N 1 0 419.522 3.290 50 0 HGAARO C[C@@H]1CCCC[C@]12NC(=O)N(CN1CC[NH+](Cc3cccc4ccccc43)CC1)C2=O ZINC000022775542 558509390 /nfs/dbraw/zinc/50/93/90/558509390.db2.gz QKBZUDWIOHERIE-CLOONOSVSA-N 1 0 420.557 3.416 50 0 HGAARO OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CC[N@@H+]1CCCc1ccccc1 ZINC000023373212 558553101 /nfs/dbraw/zinc/55/31/01/558553101.db2.gz NOZMSEZRCIEDSV-DEOSSOPVSA-N 1 0 404.558 3.374 50 0 HGAARO O=C(COc1cccc(N2CCCC2=O)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023741004 558572954 /nfs/dbraw/zinc/57/29/54/558572954.db2.gz XQANQWSZAKKRQV-JOCHJYFZSA-N 1 0 407.514 3.146 50 0 HGAARO Cc1cc2nc(C)c(CCC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c(C)n2n1 ZINC000024115717 558589853 /nfs/dbraw/zinc/58/98/53/558589853.db2.gz BUMIMULCBAPUMV-UHFFFAOYSA-N 1 0 405.546 3.499 50 0 HGAARO COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)c1OC ZINC000004479367 558602000 /nfs/dbraw/zinc/60/20/00/558602000.db2.gz OCIPTRSIFMAOON-UHFFFAOYSA-N 1 0 417.531 3.276 50 0 HGAARO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCc3sccc3[C@H]2C2CC2)cc1 ZINC000024768795 558611918 /nfs/dbraw/zinc/61/19/18/558611918.db2.gz YZQWABQKTZHZTO-HXUWFJFHSA-N 1 0 406.573 3.387 50 0 HGAARO CC[NH+](CC)Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000024925461 558620828 /nfs/dbraw/zinc/62/08/28/558620828.db2.gz JGPOLWDPXXIFCT-UHFFFAOYSA-N 1 0 423.966 3.441 50 0 HGAARO COc1cccc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)c1 ZINC000024985064 558624817 /nfs/dbraw/zinc/62/48/17/558624817.db2.gz WUSTVAJLTKMPTL-QPFKGPCDSA-N 1 0 421.541 3.271 50 0 HGAARO CC(C)CN1C(=O)N(C)C(=O)C12CC[NH+](Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC000014531208 558656077 /nfs/dbraw/zinc/65/60/77/558656077.db2.gz LPEWFJUFFRGPEY-UHFFFAOYSA-N 1 0 423.517 3.154 50 0 HGAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+]([C@H](C)CSC)CC2 ZINC000014532756 558656837 /nfs/dbraw/zinc/65/68/37/558656837.db2.gz GUBMRCOEOUOFFL-MRXNPFEDSA-N 1 0 401.576 3.024 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1ccc(F)cc1F)CC2 ZINC000014541699 558660396 /nfs/dbraw/zinc/66/03/96/558660396.db2.gz AQORBUAPRGGQBY-INIZCTEOSA-N 1 0 414.456 3.211 50 0 HGAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccsc1)CC2 ZINC000014731633 558665672 /nfs/dbraw/zinc/66/56/72/558665672.db2.gz SZSAWXXXNOHOLO-UHFFFAOYSA-N 1 0 412.559 3.395 50 0 HGAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](C4Cc5ccccc5C4)CC3)C2=O)cc1 ZINC000014733463 558666179 /nfs/dbraw/zinc/66/61/79/558666179.db2.gz PNJIBTHBCOHREX-UHFFFAOYSA-N 1 0 419.525 3.091 50 0 HGAARO CCCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]C1CCN(Cc3ccccc3)CC1)C2 ZINC000014743196 558667770 /nfs/dbraw/zinc/66/77/70/558667770.db2.gz KJHDPBGXFTYZPC-NRFANRHFSA-N 1 0 423.605 3.106 50 0 HGAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014750610 558670656 /nfs/dbraw/zinc/67/06/56/558670656.db2.gz PRHHYTXGJNQJHQ-UHFFFAOYSA-N 1 0 422.529 3.039 50 0 HGAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](C1CCSCC1)CC2 ZINC000014752475 558671157 /nfs/dbraw/zinc/67/11/57/558671157.db2.gz MBRUBVBLUFXCJC-UHFFFAOYSA-N 1 0 413.587 3.168 50 0 HGAARO CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027333872 558672006 /nfs/dbraw/zinc/67/20/06/558672006.db2.gz ODMFZMHKDBTGQL-UYAOXDASSA-N 1 0 401.482 3.126 50 0 HGAARO COc1cccc([C@@H](CNC(=O)c2ccc3c(c2)CCN3C(C)=O)[NH+]2CCCC2)c1 ZINC000027342256 558672065 /nfs/dbraw/zinc/67/20/65/558672065.db2.gz DUCKEYLTFWCLCI-HSZRJFAPSA-N 1 0 407.514 3.171 50 0 HGAARO C[NH+]1CCN(c2ccc(Br)cc2NS(=O)(=O)c2ccccc2)CC1 ZINC000072270843 558673538 /nfs/dbraw/zinc/67/35/38/558673538.db2.gz NOSZAOUMRXTWDN-UHFFFAOYSA-N 1 0 410.337 3.002 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1Cl ZINC000027578667 558675531 /nfs/dbraw/zinc/67/55/31/558675531.db2.gz OLKLUYYZXGGHCV-HXUWFJFHSA-N 1 0 412.921 3.249 50 0 HGAARO COc1ccccc1NC(=O)[C@H]1CC12CC[NH+](Cc1cccc(OCCO)c1)CC2 ZINC000014878859 558675511 /nfs/dbraw/zinc/67/55/11/558675511.db2.gz LKJLHXUNHJFORW-HXUWFJFHSA-N 1 0 410.514 3.307 50 0 HGAARO COc1ccccc1NC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(OCCO)c1)CC2 ZINC000014878858 558675527 /nfs/dbraw/zinc/67/55/27/558675527.db2.gz LKJLHXUNHJFORW-FQEVSTJZSA-N 1 0 410.514 3.307 50 0 HGAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000027662233 558678218 /nfs/dbraw/zinc/67/82/18/558678218.db2.gz UYQZVFNPIRFJIS-NRFANRHFSA-N 1 0 401.938 3.132 50 0 HGAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@H](C)CC(C)(C)O)CC2)c(Cl)c1 ZINC000014957948 558682940 /nfs/dbraw/zinc/68/29/40/558682940.db2.gz SIGXGDTWRZEZJG-OAHLLOKOSA-N 1 0 412.958 3.109 50 0 HGAARO Cn1cc(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000014973710 558688445 /nfs/dbraw/zinc/68/84/45/558688445.db2.gz XDGHQKFRXSHSLD-UHFFFAOYSA-N 1 0 415.969 3.046 50 0 HGAARO Cc1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)nc(C)n1 ZINC000014981121 558691552 /nfs/dbraw/zinc/69/15/52/558691552.db2.gz RMHDIMNIYMKVRN-OAQYLSRUSA-N 1 0 400.567 3.369 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCC(C)(C)CO)c1 ZINC000014981234 558691649 /nfs/dbraw/zinc/69/16/49/558691649.db2.gz NAAGYOQMAOGHNF-UHFFFAOYSA-N 1 0 404.551 3.229 50 0 HGAARO CC[C@@H]1C[N@H+](CCC(=O)NCc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2O1 ZINC000014995297 558695854 /nfs/dbraw/zinc/69/58/54/558695854.db2.gz UAZQJCZNUORSGJ-GOSISDBHSA-N 1 0 412.486 3.103 50 0 HGAARO Cc1ccc([C@H](CNC(=O)c2nn(-c3ccc(C)c(C)c3)ccc2=O)[NH+](C)C)cc1 ZINC000028292772 558698321 /nfs/dbraw/zinc/69/83/21/558698321.db2.gz LJYHHWDNSHUPMP-NRFANRHFSA-N 1 0 404.514 3.190 50 0 HGAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@@H]1OCCc2ccccc21 ZINC000015008797 558699770 /nfs/dbraw/zinc/69/97/70/558699770.db2.gz MWJYCKGBLLHHOS-OFNKIYASSA-N 1 0 412.505 3.489 50 0 HGAARO CC[C@@H](COC)NC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000015063323 558705896 /nfs/dbraw/zinc/70/58/96/558705896.db2.gz HOULBRPQMNZPBL-QFIPXVFZSA-N 1 0 401.595 3.213 50 0 HGAARO COc1cc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cc(Cl)c1O ZINC000015076019 558716569 /nfs/dbraw/zinc/71/65/69/558716569.db2.gz ZICSRKVKEQBJPE-KRWDZBQOSA-N 1 0 410.942 3.342 50 0 HGAARO COc1cc(C[C@@H]2CC(C[NH2+]CCc3ccc(C)cc3)=NO2)c(OC)c2c1OCO2 ZINC000015081397 558718934 /nfs/dbraw/zinc/71/89/34/558718934.db2.gz NXZXHNZWSKMPET-LJQANCHMSA-N 1 0 412.486 3.261 50 0 HGAARO COc1cc2c(cc1OC)C[N@H+](CCC(=O)Nc1ccc(N3CCCC3=O)cc1)CC2 ZINC000015414434 558739009 /nfs/dbraw/zinc/73/90/09/558739009.db2.gz PGWKYIPQNIZUQR-UHFFFAOYSA-N 1 0 423.513 3.218 50 0 HGAARO Cc1cccc(NC(=O)CSCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000015564595 558744292 /nfs/dbraw/zinc/74/42/92/558744292.db2.gz MCQAEKQBIGZMSF-UHFFFAOYSA-N 1 0 411.571 3.448 50 0 HGAARO NC(=O)COc1ccc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000030910961 558744427 /nfs/dbraw/zinc/74/44/27/558744427.db2.gz QICKLAXIRBSVBN-IBGZPJMESA-N 1 0 405.901 3.270 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088544 558760924 /nfs/dbraw/zinc/76/09/24/558760924.db2.gz SOGREQQLUAERFL-LBPRGKRZSA-N 1 0 422.411 3.007 50 0 HGAARO CC[NH+](CC)CCN(CCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1 ZINC000072308259 558769948 /nfs/dbraw/zinc/76/99/48/558769948.db2.gz NFEIXHIFHHDSRQ-UHFFFAOYSA-N 1 0 404.576 3.313 50 0 HGAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)CCc3nnc(C(C)C)o3)CC2)c1 ZINC000072309538 558773434 /nfs/dbraw/zinc/77/34/34/558773434.db2.gz XNRGUOVHTAPLKL-UHFFFAOYSA-N 1 0 413.566 3.153 50 0 HGAARO Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)sc2nc3n(c(=O)c12)CCC3 ZINC000016259405 558781510 /nfs/dbraw/zinc/78/15/10/558781510.db2.gz XMTFGSGYICKPGS-QGZVFWFLSA-N 1 0 422.554 3.280 50 0 HGAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000016695537 558801002 /nfs/dbraw/zinc/80/10/02/558801002.db2.gz NULPNNGKLGLRIH-QGZVFWFLSA-N 1 0 402.502 3.100 50 0 HGAARO O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)NCCC[NH+]1CCCCC1 ZINC000032995310 558809660 /nfs/dbraw/zinc/80/96/60/558809660.db2.gz NBLWUKAVGXBSLI-UHFFFAOYSA-N 1 0 415.563 3.105 50 0 HGAARO CCOC(=O)[C@H]1CCCN(C2CC[NH+]([C@@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000039518440 558821955 /nfs/dbraw/zinc/82/19/55/558821955.db2.gz UONLGUZLAWTBBK-LEWJYISDSA-N 1 0 421.626 3.153 50 0 HGAARO CC[NH+](CC)CCNC(=O)c1ccc(Cn2c3cc(C)c(C)cc3nc(C)c2=O)cc1 ZINC000033005990 558827759 /nfs/dbraw/zinc/82/77/59/558827759.db2.gz WKVHRCHBGFCLCN-UHFFFAOYSA-N 1 0 420.557 3.442 50 0 HGAARO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@@H+](C)C3CCCCC3)cc2)s1 ZINC000033011074 558830387 /nfs/dbraw/zinc/83/03/87/558830387.db2.gz NNTSXKKSCXDZGA-UHFFFAOYSA-N 1 0 415.563 3.483 50 0 HGAARO CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)s1 ZINC000033011323 558831357 /nfs/dbraw/zinc/83/13/57/558831357.db2.gz CPIHCGUMCOCTQW-UHFFFAOYSA-N 1 0 415.563 3.205 50 0 HGAARO Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c2)s1 ZINC000033022603 558837859 /nfs/dbraw/zinc/83/78/59/558837859.db2.gz IEXIAUCNMPXZNB-CQSZACIVSA-N 1 0 401.536 3.093 50 0 HGAARO CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000033028906 558852247 /nfs/dbraw/zinc/85/22/47/558852247.db2.gz XLMIKBBKDPILFR-LJQANCHMSA-N 1 0 423.966 3.059 50 0 HGAARO CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CCCCCC3)c2)C1 ZINC000033035910 558860019 /nfs/dbraw/zinc/86/00/19/558860019.db2.gz IADOLEUEKDSFAH-NRFANRHFSA-N 1 0 400.567 3.201 50 0 HGAARO Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)C[NH2+]CN2CCCCCC2)[C@@H]3CCC1 ZINC000019325682 558867709 /nfs/dbraw/zinc/86/77/09/558867709.db2.gz KTBVROFFDADDER-HYBUGGRVSA-N 1 0 410.606 3.427 50 0 HGAARO Cc1c(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3F)C2)c(=O)n(-c2ccccc2)n1C ZINC000055036633 558870044 /nfs/dbraw/zinc/87/00/44/558870044.db2.gz HPPARZKBZXTMNP-VWLOTQADSA-N 1 0 423.532 3.441 50 0 HGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3ccc4nonc4c3)C2)cc1OC ZINC000019338840 558870869 /nfs/dbraw/zinc/87/08/69/558870869.db2.gz KTXZNGMLIQCMPE-LJQANCHMSA-N 1 0 410.518 3.379 50 0 HGAARO CC(C)(NC(=O)c1cccs1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000055060690 558871274 /nfs/dbraw/zinc/87/12/74/558871274.db2.gz VAIHBOZSMQPQNW-KRWDZBQOSA-N 1 0 403.523 3.349 50 0 HGAARO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCC[NH+]1CCN(Cc3ccccc3)CC1)C2=O ZINC000019367297 558877081 /nfs/dbraw/zinc/87/70/81/558877081.db2.gz XTGMLDFXCZWGIX-SQJMNOBHSA-N 1 0 411.590 3.396 50 0 HGAARO COc1ccc(OCC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000055343820 558879613 /nfs/dbraw/zinc/87/96/13/558879613.db2.gz RLZOYMGDUSACEZ-OAQYLSRUSA-N 1 0 423.557 3.196 50 0 HGAARO CCN(Cc1ccccc1)C(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000033048248 558884971 /nfs/dbraw/zinc/88/49/71/558884971.db2.gz CSAYUFHGXAPPGX-UHFFFAOYSA-N 1 0 409.559 3.414 50 0 HGAARO CS(=O)(=O)c1cnc(Cc2c(Cl)cccc2Cl)nc1[C@H]1CCC[NH2+]C1 ZINC000071589553 558905622 /nfs/dbraw/zinc/90/56/22/558905622.db2.gz LTWZNNORCMFAAN-NSHDSACASA-N 1 0 400.331 3.245 50 0 HGAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000058174309 558909035 /nfs/dbraw/zinc/90/90/35/558909035.db2.gz PIMGUNZFOKZYQU-BZUAXINKSA-N 1 0 422.367 3.039 50 0 HGAARO CCCCOc1ccc(C(=O)NCC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000058201873 558911392 /nfs/dbraw/zinc/91/13/92/558911392.db2.gz DCXBKGOVZDHQPG-OTWHNJEPSA-N 1 0 403.567 3.078 50 0 HGAARO CCOC(=O)c1sc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C(=O)OCC)c1C ZINC000058306291 558918332 /nfs/dbraw/zinc/91/83/32/558918332.db2.gz SMLISAYXGPEEEB-CQSZACIVSA-N 1 0 423.535 3.112 50 0 HGAARO O=C(N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OCc1cccnc1)c1ccoc1 ZINC000072129779 558928579 /nfs/dbraw/zinc/92/85/79/558928579.db2.gz RWPYUVQBUYXKHE-YADHBBJMSA-N 1 0 403.482 3.366 50 0 HGAARO COc1cccc(CN2CC[N@H+](Cc3ccc(-n4cccn4)cc3C)C[C@@H]2CCO)c1 ZINC000019595654 558946063 /nfs/dbraw/zinc/94/60/63/558946063.db2.gz FCHUTMMZICIQPB-DEOSSOPVSA-N 1 0 420.557 3.258 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060339 558954605 /nfs/dbraw/zinc/95/46/05/558954605.db2.gz XKDLHIRGTASRBL-CYBMUJFWSA-N 1 0 421.954 3.438 50 0 HGAARO C[NH+](C)CCOc1cccc2c1c(NC(=O)c1cc[nH]n1)nn2-c1ccc(F)cc1 ZINC000072410031 558977490 /nfs/dbraw/zinc/97/74/90/558977490.db2.gz VLCUITQYEKRDFJ-UHFFFAOYSA-N 1 0 408.437 3.080 50 0 HGAARO Cc1sc2nc(CC[NH3+])nc(N[C@H](C)c3ccc(S(C)(=O)=O)cc3)c2c1C ZINC000065506379 558978226 /nfs/dbraw/zinc/97/82/26/558978226.db2.gz UTFUKNFORPAFNV-GFCCVEGCSA-N 1 0 404.561 3.386 50 0 HGAARO CCC[NH+]1CCN(C(=O)c2cccc([C@@H]3CCCN(C(=O)NC(C)C)C3)c2)CC1 ZINC000033264347 558984413 /nfs/dbraw/zinc/98/44/13/558984413.db2.gz APKTVBHVRDRGJV-OAQYLSRUSA-N 1 0 400.567 3.152 50 0 HGAARO CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CCCCC3)c2)C1 ZINC000033264390 558984417 /nfs/dbraw/zinc/98/44/17/558984417.db2.gz RDXZOCGIGCWMAA-NRFANRHFSA-N 1 0 400.567 3.200 50 0 HGAARO O=C(CCc1[nH]nc2c1CCCC2)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000067472746 558986754 /nfs/dbraw/zinc/98/67/54/558986754.db2.gz FVYCHQLBJLWUJO-NRFANRHFSA-N 1 0 421.589 3.034 50 0 HGAARO Cc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc(N2CCCCC2)[nH+]1 ZINC000067603606 558988076 /nfs/dbraw/zinc/98/80/76/558988076.db2.gz AYVGXQQFWNWIQK-UHFFFAOYSA-N 1 0 416.476 3.408 50 0 HGAARO Cc1cc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000067604440 558988610 /nfs/dbraw/zinc/98/86/10/558988610.db2.gz YZUPCCDPKPKXGA-UHFFFAOYSA-N 1 0 416.476 3.408 50 0 HGAARO COc1ccc(C)cc1NC(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1 ZINC000067623130 558990090 /nfs/dbraw/zinc/99/00/90/558990090.db2.gz QAQSPXPEWASFLP-UHFFFAOYSA-N 1 0 424.549 3.446 50 0 HGAARO CC(C)c1ccccc1OCCOC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022466185 558996215 /nfs/dbraw/zinc/99/62/15/558996215.db2.gz LXIYMAKOXMFZHV-HSZRJFAPSA-N 1 0 412.574 3.384 50 0 HGAARO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000097162374 558998160 /nfs/dbraw/zinc/99/81/60/558998160.db2.gz LPPXRIXULZMQGG-MJGOQNOKSA-N 1 0 400.523 3.376 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000023078205 558999217 /nfs/dbraw/zinc/99/92/17/558999217.db2.gz YWTXQIOSQBVCBC-UHFFFAOYSA-N 1 0 409.596 3.102 50 0 HGAARO Cc1cc(O)c([C@H](c2cccc(F)c2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccccc1 ZINC000023086413 558999916 /nfs/dbraw/zinc/99/99/16/558999916.db2.gz ZATHFLILBJKCSG-DEOSSOPVSA-N 1 0 421.516 3.387 50 0 HGAARO C[C@@H](C(=O)N1CCC2(CN(CC[N@H+](C)C3CCCCC3)C(=O)O2)CC1)n1cccc1 ZINC000077353762 559001968 /nfs/dbraw/zinc/00/19/68/559001968.db2.gz MQKPGDLRCZFMSN-IBGZPJMESA-N 1 0 416.566 3.127 50 0 HGAARO CN(Cc1cccs1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082097361 559037550 /nfs/dbraw/zinc/03/75/50/559037550.db2.gz DVDCDRMPAFJXRV-HXUWFJFHSA-N 1 0 412.603 3.478 50 0 HGAARO CSCCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082126120 559039907 /nfs/dbraw/zinc/03/99/07/559039907.db2.gz XZKXUVZETDEGOL-KRWDZBQOSA-N 1 0 416.591 3.378 50 0 HGAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(Cc3cscn3)CC2)C1 ZINC000082138753 559040703 /nfs/dbraw/zinc/04/07/03/559040703.db2.gz QIPOMCJCTYIHJG-FQEVSTJZSA-N 1 0 412.603 3.178 50 0 HGAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2ccc(-n3cnnc3)cc2)CC1 ZINC000095503555 559082758 /nfs/dbraw/zinc/08/27/58/559082758.db2.gz IALXZUWUQDCWKH-UHFFFAOYSA-N 1 0 403.530 3.294 50 0 HGAARO Cc1nnc(CN(C)Cc2ccccc2OC[C@@H](O)C[N@H+](C)C2CCCCC2)o1 ZINC000095517525 559084799 /nfs/dbraw/zinc/08/47/99/559084799.db2.gz REQPLWGMVNOBEY-FQEVSTJZSA-N 1 0 402.539 3.014 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cn2nnc3ccccc32)cc1)Cc1ccccc1 ZINC000011603656 559113219 /nfs/dbraw/zinc/11/32/19/559113219.db2.gz RRBTVUPDKDIOOS-JOCHJYFZSA-N 1 0 413.525 3.382 50 0 HGAARO COc1ccc(OC)c(NC(=O)COc2coc(C[NH+]3CCCCCC3)cc2=O)c1 ZINC000072403100 559190017 /nfs/dbraw/zinc/19/00/17/559190017.db2.gz NVXKGAIYAQLEON-UHFFFAOYSA-N 1 0 416.474 3.051 50 0 HGAARO Cc1ccc(C2=NN(C(=O)CSc3nc(N)cc(N)[nH+]3)[C@@H](c3ccco3)C2)cc1 ZINC000004894180 559198759 /nfs/dbraw/zinc/19/87/59/559198759.db2.gz UPKMWUIJOYVDIR-OAHLLOKOSA-N 1 0 408.487 3.012 50 0 HGAARO COc1ccc(-c2noc(CCC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000004933185 559210881 /nfs/dbraw/zinc/21/08/81/559210881.db2.gz NJSAXOHCYOGNPG-CALCHBBNSA-N 1 0 400.523 3.162 50 0 HGAARO COc1ccc(-c2noc(CN(C)C[C@@H]3CC[N@H+](CC(C)C)C3)n2)c(OC)c1OC ZINC000011702190 559227878 /nfs/dbraw/zinc/22/78/78/559227878.db2.gz AAQIRZFOIGEPFK-INIZCTEOSA-N 1 0 418.538 3.172 50 0 HGAARO C[NH+](C)CCCN(C(=O)COc1ccccc1)c1nc2cc3c(cc2s1)OCO3 ZINC000005122465 559248593 /nfs/dbraw/zinc/24/85/93/559248593.db2.gz YHOCATAXAGEBQY-UHFFFAOYSA-N 1 0 413.499 3.389 50 0 HGAARO CC[NH+](CC)CCCNC(=O)[C@@H](C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000005135811 559250625 /nfs/dbraw/zinc/25/06/25/559250625.db2.gz JDGJPBHUZXYBFS-OAHLLOKOSA-N 1 0 400.548 3.329 50 0 HGAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000247939454 559256004 /nfs/dbraw/zinc/25/60/04/559256004.db2.gz UGLPDDLJAMAXJN-DWKCODDLSA-N 1 0 421.884 3.080 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2csc(SC)n2)CC1 ZINC000011873011 559264756 /nfs/dbraw/zinc/26/47/56/559264756.db2.gz YGBPCOLSUVAMRM-INIZCTEOSA-N 1 0 424.636 3.098 50 0 HGAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(F)c2)N(CCC[NH+](C)C)C1=O ZINC000005345824 560570143 /nfs/dbraw/zinc/57/01/43/560570143.db2.gz SDBNLPOFUPYXJU-HXUWFJFHSA-N 1 0 410.445 3.438 50 0 HGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1ccc2cc(OC)ccc21 ZINC000409413070 560723129 /nfs/dbraw/zinc/72/31/29/560723129.db2.gz BFYNHPCSAVNSKN-RBBKRZOGSA-N 1 0 413.562 3.389 50 0 biogenic HGAARO COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c1C2 ZINC000409415207 560723477 /nfs/dbraw/zinc/72/34/77/560723477.db2.gz WYONCSJRVNDSTA-BEFAXECRSA-N 1 0 424.545 3.335 50 0 HGAARO CCCCc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000102305437 560809239 /nfs/dbraw/zinc/80/92/39/560809239.db2.gz ALNSEBOCLOSAAB-JOCHJYFZSA-N 1 0 407.514 3.189 50 0 HGAARO CC[NH+](CC)CCCNC(=O)c1nnn(-c2ccc(Br)c(C)c2)c1C ZINC000051317944 560858416 /nfs/dbraw/zinc/85/84/16/560858416.db2.gz VDZHPRGMGGMUSX-UHFFFAOYSA-N 1 0 408.344 3.108 50 0 HGAARO Cc1sc2nc(CN3CCOCC3)nc(N3CCC([N@@H+](C)C(C)C)CC3)c2c1C ZINC000048263712 568433811 /nfs/dbraw/zinc/43/38/11/568433811.db2.gz IECHLESVINDSPO-UHFFFAOYSA-N 1 0 417.623 3.449 50 0 HGAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc4cc(C)ccc4nc3C)cn2)CC1 ZINC000048290347 568435180 /nfs/dbraw/zinc/43/51/80/568435180.db2.gz GGXXMBRQGKAWKK-UHFFFAOYSA-N 1 0 403.530 3.319 50 0 HGAARO CC(=O)N1CCc2cc(C(=O)N[C@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)ccc21 ZINC000048326416 568439786 /nfs/dbraw/zinc/43/97/86/568439786.db2.gz SLHQNVWTHTYKHY-NRFANRHFSA-N 1 0 419.525 3.314 50 0 HGAARO CCN(C(=O)Cn1c(C)nc2c(c1=O)C[N@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000049400764 568447693 /nfs/dbraw/zinc/44/76/93/568447693.db2.gz YPRKANCQUMAHOJ-UHFFFAOYSA-N 1 0 416.525 3.163 50 0 HGAARO O=C1C[C@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000049581142 568452822 /nfs/dbraw/zinc/45/28/22/568452822.db2.gz NBBYHVVEXVSNGZ-ZDFPQIBNSA-N 1 0 420.900 3.302 50 0 HGAARO CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1cn(C)c2ccccc12)[NH+](C)C ZINC000021698384 568466975 /nfs/dbraw/zinc/46/69/75/568466975.db2.gz MHXCWTYTQGJWPL-IBGZPJMESA-N 1 0 410.543 3.258 50 0 HGAARO O[C@H](COc1ccc(Br)cc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022358436 568484881 /nfs/dbraw/zinc/48/48/81/568484881.db2.gz MUUXBUYJUALOFH-IBGZPJMESA-N 1 0 405.336 3.007 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1C)c1ccccc1Cl ZINC000022681900 568497310 /nfs/dbraw/zinc/49/73/10/568497310.db2.gz WSOFBNAHQWJSDJ-IBGZPJMESA-N 1 0 423.966 3.109 50 0 HGAARO Cn1c2ccccc2nc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1=O ZINC000033085896 568510677 /nfs/dbraw/zinc/51/06/77/568510677.db2.gz QBGUPOHCZSOGPY-UHFFFAOYSA-N 1 0 424.932 3.229 50 0 HGAARO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020388595 568604032 /nfs/dbraw/zinc/60/40/32/568604032.db2.gz MZNLVVKIBDFBRA-UHFFFAOYSA-N 1 0 411.531 3.051 50 0 HGAARO O=C(CCc1ccccc1Br)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000095444993 568611696 /nfs/dbraw/zinc/61/16/96/568611696.db2.gz NFWBWQJZRLZGPZ-RTBURBONSA-N 1 0 417.347 3.133 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCn1c2ccccc2n2cccc2c1=O ZINC000020489788 568614290 /nfs/dbraw/zinc/61/42/90/568614290.db2.gz XERBRDKKZFASIA-IBGZPJMESA-N 1 0 408.546 3.415 50 0 HGAARO COc1ccc(-c2noc(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000020515994 568623414 /nfs/dbraw/zinc/62/34/14/568623414.db2.gz GPGFSFHVSAEZLU-UHFFFAOYSA-N 1 0 406.486 3.069 50 0 HGAARO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000095466739 568624425 /nfs/dbraw/zinc/62/44/25/568624425.db2.gz PAWAALZOHNBUFM-MRXNPFEDSA-N 1 0 404.514 3.151 50 0 HGAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN(c2cc(C3(C)CC3)[nH]n2)CC1 ZINC000225398975 568634071 /nfs/dbraw/zinc/63/40/71/568634071.db2.gz ASTGQMGXKLUXLM-UHFFFAOYSA-N 1 0 407.518 3.231 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000020862010 568646139 /nfs/dbraw/zinc/64/61/39/568646139.db2.gz HBNXSEOYYXNMRF-INIZCTEOSA-N 1 0 416.591 3.083 50 0 HGAARO CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)c2cc1Cl ZINC000095947239 568664799 /nfs/dbraw/zinc/66/47/99/568664799.db2.gz LLGSYLLCXDLXIH-MRXNPFEDSA-N 1 0 418.921 3.080 50 0 HGAARO CCCCn1nc(C)c(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1Cl ZINC000096013936 568685368 /nfs/dbraw/zinc/68/53/68/568685368.db2.gz BPYWUMJVQFXBGI-UHFFFAOYSA-N 1 0 410.006 3.135 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000012389557 568692051 /nfs/dbraw/zinc/69/20/51/568692051.db2.gz RDUBRJPPFZPBSB-GOSISDBHSA-N 1 0 411.933 3.474 50 0 HGAARO CCCC[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000096398345 568746927 /nfs/dbraw/zinc/74/69/27/568746927.db2.gz DVWNIVGSWDXLGC-QGZVFWFLSA-N 1 0 403.592 3.033 50 0 HGAARO C[NH+]1CCN(Cc2cccc(NC(=O)CCc3nnc(-c4ccccc4)o3)c2)CC1 ZINC000057055032 568823661 /nfs/dbraw/zinc/82/36/61/568823661.db2.gz WHVWSPFNXAOUKZ-UHFFFAOYSA-N 1 0 405.502 3.055 50 0 HGAARO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000057273611 568825668 /nfs/dbraw/zinc/82/56/68/568825668.db2.gz UIPWPTLDCAHDFO-SFHVURJKSA-N 1 0 406.530 3.136 50 0 HGAARO O=S(=O)(c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)nc1)N1CCCCC1 ZINC000005938313 568831143 /nfs/dbraw/zinc/83/11/43/568831143.db2.gz SCCJDKSWYPWZJQ-UHFFFAOYSA-N 1 0 414.575 3.333 50 0 HGAARO Cc1ccc(-n2c(CC(=O)NCC[N@H+]3CCCC[C@H]3C)c3[nH]cccc-3c2=O)cc1 ZINC000230114148 568847477 /nfs/dbraw/zinc/84/74/77/568847477.db2.gz BPYJVMITHDWYSX-NQIIRXRSSA-N 1 0 406.530 3.472 50 0 HGAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000299760159 568873052 /nfs/dbraw/zinc/87/30/52/568873052.db2.gz NZAUDVLSHWVXQT-QFIPXVFZSA-N 1 0 416.468 3.236 50 0 HGAARO Cc1ccoc1C(=O)N1CCC2(C[C@@H]2C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000299771897 568874353 /nfs/dbraw/zinc/87/43/53/568874353.db2.gz XCVGVGQAXDYHMU-HXUWFJFHSA-N 1 0 413.562 3.307 50 0 HGAARO Cc1nn(C)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1Br ZINC000058015102 568876122 /nfs/dbraw/zinc/87/61/22/568876122.db2.gz JLHQQHNDQUCNTR-UHFFFAOYSA-N 1 0 405.340 3.407 50 0 HGAARO O=C(NCCc1nc(-c2cccnc2)no1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299800852 568876631 /nfs/dbraw/zinc/87/66/31/568876631.db2.gz WRCACOQHHCRXIW-ZCNNSNEGSA-N 1 0 403.486 3.016 50 0 HGAARO CC[NH+](CC)CCNC(=O)C[S@](=O)Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000004034663 568879111 /nfs/dbraw/zinc/87/91/11/568879111.db2.gz VDOAZWOFFDIXEM-MHZLTWQESA-N 1 0 411.955 3.010 50 0 HGAARO COc1cc(CNC[C@@H](C[NH+](C)C)[C@@H](O)c2ccccc2)cc(OC)c1OC(F)F ZINC000058051000 568881119 /nfs/dbraw/zinc/88/11/19/568881119.db2.gz NFTJQPXUGMNBKM-PXNSSMCTSA-N 1 0 424.488 3.306 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000004062991 568881555 /nfs/dbraw/zinc/88/15/55/568881555.db2.gz GQWCDWWREXSFDW-DHRDOYSISA-N 1 0 416.606 3.222 50 0 biogenic HGAARO CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1C ZINC000012680809 568907915 /nfs/dbraw/zinc/90/79/15/568907915.db2.gz DAOJTVDBUWJKPO-LJQANCHMSA-N 1 0 413.518 3.384 50 0 HGAARO Cn1cnnc1Sc1ccc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)o1 ZINC000670448171 568918880 /nfs/dbraw/zinc/91/88/80/568918880.db2.gz HEQRKHWKVYNUCH-IBGZPJMESA-N 1 0 409.559 3.234 50 0 HGAARO COc1ccc(CN2CC[NH+](C)CC2)cc1NC(=O)c1ncc(-c2ccccc2)o1 ZINC000083881689 568922275 /nfs/dbraw/zinc/92/22/75/568922275.db2.gz MQPQXUZSSNSOKK-UHFFFAOYSA-N 1 0 406.486 3.350 50 0 HGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1 ZINC000015502208 568940793 /nfs/dbraw/zinc/94/07/93/568940793.db2.gz LWEHHYJVKDNRAQ-NRFANRHFSA-N 1 0 409.453 3.359 50 0 HGAARO O=C(Cn1cnc2ccsc2c1=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670457682 568942446 /nfs/dbraw/zinc/94/24/46/568942446.db2.gz CNQSVNWZFOOVIL-IBGZPJMESA-N 1 0 410.543 3.192 50 0 HGAARO Cc1nc(C(=O)NC2CC[NH+](CCOc3ccc(Br)cc3)CC2)cs1 ZINC000084271981 568945604 /nfs/dbraw/zinc/94/56/04/568945604.db2.gz WTCIBIQTFZVAMX-UHFFFAOYSA-N 1 0 424.364 3.487 50 0 HGAARO O=C(NCc1ccccc1)NC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000084539219 568950709 /nfs/dbraw/zinc/95/07/09/568950709.db2.gz PKYKLNWTWLLCQH-JOCHJYFZSA-N 1 0 420.557 3.189 50 0 HGAARO O=C(Cn1cnc2ccccc2c1=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670460775 568951527 /nfs/dbraw/zinc/95/15/27/568951527.db2.gz QGDSSROYSWXEPF-JOCHJYFZSA-N 1 0 404.514 3.130 50 0 HGAARO COc1cc(OC)cc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)c1 ZINC000004275256 568962197 /nfs/dbraw/zinc/96/21/97/568962197.db2.gz GZGPVAOVHBDKMZ-UHFFFAOYSA-N 1 0 417.531 3.276 50 0 HGAARO COc1cccc(CNC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)c1 ZINC000015727002 568978329 /nfs/dbraw/zinc/97/83/29/568978329.db2.gz RXMLUTWLEMTQKW-UHFFFAOYSA-N 1 0 408.477 3.417 50 0 HGAARO C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)ccc2S1 ZINC000015730461 568980960 /nfs/dbraw/zinc/98/09/60/568980960.db2.gz SBASDDVKESAWDR-OAHLLOKOSA-N 1 0 423.604 3.148 50 0 HGAARO CC1CC[NH+]([C@@H](CNC(=O)Cn2cnc3ccccc3c2=O)c2cccs2)CC1 ZINC000008272674 568986531 /nfs/dbraw/zinc/98/65/31/568986531.db2.gz SQUQAVVIJSDMML-IBGZPJMESA-N 1 0 410.543 3.047 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)COc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000012819052 568990676 /nfs/dbraw/zinc/99/06/76/568990676.db2.gz HVSMNPVMPATYNA-QFIPXVFZSA-N 1 0 409.530 3.392 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2cccc(N3CCCC3=O)c2)[NH+]2CCCC2)cc1 ZINC000008327857 568992401 /nfs/dbraw/zinc/99/24/01/568992401.db2.gz GFOXYDJVTYHOEZ-JOCHJYFZSA-N 1 0 407.514 3.389 50 0 HGAARO Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000013673362 569004904 /nfs/dbraw/zinc/00/49/04/569004904.db2.gz MRKSUYNCFRMEDT-UHFFFAOYSA-N 1 0 401.532 3.012 50 0 HGAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)c(OC)c1OC ZINC000104312234 569008235 /nfs/dbraw/zinc/00/82/35/569008235.db2.gz RBBCBZACMRZDIH-OAQYLSRUSA-N 1 0 414.546 3.090 50 0 HGAARO C[C@@H]1c2cccn2CCN1CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000012846283 569010135 /nfs/dbraw/zinc/01/01/35/569010135.db2.gz XWPWCXIVKYSEMX-HXUWFJFHSA-N 1 0 402.542 3.362 50 0 HGAARO O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012870949 569013272 /nfs/dbraw/zinc/01/32/72/569013272.db2.gz VLMSGSSIZGTBBG-UHFFFAOYSA-N 1 0 413.905 3.419 50 0 HGAARO C[C@H]([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012904903 569021112 /nfs/dbraw/zinc/02/11/12/569021112.db2.gz NYUTYECZKXFKIT-HTAPYJJXSA-N 1 0 414.571 3.449 50 0 HGAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@]23c2ccccc2NC3=O)cc1 ZINC000016027017 569026598 /nfs/dbraw/zinc/02/65/98/569026598.db2.gz RKQZVYFIUMOCFC-YIGJPRQDSA-N 1 0 419.481 3.134 50 0 biogenic HGAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@]23c2ccccc2NC3=O)cc1 ZINC000016027012 569026627 /nfs/dbraw/zinc/02/66/27/569026627.db2.gz RKQZVYFIUMOCFC-WVMBUTMQSA-N 1 0 419.481 3.134 50 0 biogenic HGAARO Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCC[NH+]4CCCCC4)C3)nn2)cc1 ZINC000035398057 569035014 /nfs/dbraw/zinc/03/50/14/569035014.db2.gz OQDPSEJSFCBUJO-OAQYLSRUSA-N 1 0 407.562 3.271 50 0 HGAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000035398031 569035026 /nfs/dbraw/zinc/03/50/26/569035026.db2.gz VVHKODJRLZGJBG-LJQANCHMSA-N 1 0 411.525 3.101 50 0 HGAARO Cc1nnc(-c2ccc3ccn(CC(=O)N4CC[NH+](C5CCCCC5)CC4)c3c2)o1 ZINC000035461904 569038026 /nfs/dbraw/zinc/03/80/26/569038026.db2.gz FIHWADKVVSJNJG-UHFFFAOYSA-N 1 0 407.518 3.477 50 0 HGAARO CSCC[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@@]2([NH2+]1)c1ccccc1N(C)C2=O ZINC000227305952 569039998 /nfs/dbraw/zinc/03/99/98/569039998.db2.gz APWAKIVXOCBAOL-CDMIOBSGSA-N 1 0 413.518 3.367 50 0 HGAARO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)Nc3ncccc3C)C2)cc1 ZINC000229376235 569040445 /nfs/dbraw/zinc/04/04/45/569040445.db2.gz RMBLWEPAHMYJCR-VQIMIIECSA-N 1 0 408.502 3.270 50 0 HGAARO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000239762204 569054568 /nfs/dbraw/zinc/05/45/68/569054568.db2.gz CLJNYNHNXOZERL-FQBWVUSXSA-N 1 0 407.352 3.263 50 0 HGAARO CCCCc1ncc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)[nH]1 ZINC000243957155 569055124 /nfs/dbraw/zinc/05/51/24/569055124.db2.gz CGSPHKDNJOLLRK-MXVIHJGJSA-N 1 0 402.583 3.260 50 0 HGAARO CCc1nc(C)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769175 569057990 /nfs/dbraw/zinc/05/79/90/569057990.db2.gz FAYXXNDWXWRATO-UHFFFAOYSA-N 1 0 401.942 3.395 50 0 HGAARO COc1ccc(-c2nc(C(=O)N3CCCC[C@@H](N4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000089382636 569058787 /nfs/dbraw/zinc/05/87/87/569058787.db2.gz BYPSTRTUEFIIRW-GOSISDBHSA-N 1 0 414.575 3.061 50 0 HGAARO NC(=[NH2+])NCCC[C@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000004794478 569071493 /nfs/dbraw/zinc/07/14/93/569071493.db2.gz XOPFDFWTKCSBGX-QFIPXVFZSA-N 1 0 416.525 3.285 50 0 HGAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000006653334 569082623 /nfs/dbraw/zinc/08/26/23/569082623.db2.gz ASYFZJKDHBJQKF-UHFFFAOYSA-N 1 0 409.486 3.061 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369860 569124387 /nfs/dbraw/zinc/12/43/87/569124387.db2.gz FXYPTAKKGKQTFF-BRKXNLHOSA-N 1 0 416.606 3.222 50 0 biogenic HGAARO CCOC[C@@H](O)C[N@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036312945 569133090 /nfs/dbraw/zinc/13/30/90/569133090.db2.gz RFPPXSBNCXSCGQ-FQEVSTJZSA-N 1 0 417.550 3.178 50 0 HGAARO CCCC[N@H+](C)CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000006820822 569140372 /nfs/dbraw/zinc/14/03/72/569140372.db2.gz NGYJPUNSKXCJIX-UHFFFAOYSA-N 1 0 418.607 3.330 50 0 HGAARO Cc1c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006840958 569151474 /nfs/dbraw/zinc/15/14/74/569151474.db2.gz NDDRBEAKRKWCJF-HUUCEWRRSA-N 1 0 416.591 3.201 50 0 HGAARO Cc1ccc(-c2cc3n(n2)[C@@H](NCCC[N@@H+]2CCc4ccccc4C2)CNC3=O)cc1 ZINC000169754491 569161125 /nfs/dbraw/zinc/16/11/25/569161125.db2.gz UGKMAIKMZKGZPJ-XMMPIXPASA-N 1 0 415.541 3.139 50 0 HGAARO CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000006872165 569162302 /nfs/dbraw/zinc/16/23/02/569162302.db2.gz NKTSRGFUFVXXRU-HSZRJFAPSA-N 1 0 405.542 3.448 50 0 HGAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccnc(-c2cccs2)c1 ZINC000065063099 569166885 /nfs/dbraw/zinc/16/68/85/569166885.db2.gz SIRURMFQSXVVIA-UHFFFAOYSA-N 1 0 406.555 3.358 50 0 HGAARO CCC[NH+]1CCN(C(=O)c2ccc(-c3ccc(N4CCSCC4)nc3)cc2)CC1 ZINC000065178346 569191815 /nfs/dbraw/zinc/19/18/15/569191815.db2.gz XRUDDMWNJMIEGQ-UHFFFAOYSA-N 1 0 410.587 3.470 50 0 HGAARO COc1cccc(CN2CCc3c(cc(C(=O)N4CC[NH+](CC(C)C)CC4)n3C)C2)c1 ZINC000065211002 569196193 /nfs/dbraw/zinc/19/61/93/569196193.db2.gz LWWSKCKTELTETD-UHFFFAOYSA-N 1 0 424.589 3.006 50 0 HGAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273151 569216052 /nfs/dbraw/zinc/21/60/52/569216052.db2.gz GBWIXEDZKOMUQI-GOSISDBHSA-N 1 0 417.619 3.471 50 0 HGAARO COc1cccc([C@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)[NH+](C)C)c1 ZINC000037151262 569239119 /nfs/dbraw/zinc/23/91/19/569239119.db2.gz BVASWPVWHACQAF-KRWDZBQOSA-N 1 0 400.504 3.158 50 0 HGAARO CC(C)(C)OC(=O)NCC1(CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCCCC1 ZINC000170596663 569241779 /nfs/dbraw/zinc/24/17/79/569241779.db2.gz QYTMJUAUHZFPRC-LJQANCHMSA-N 1 0 423.598 3.032 50 0 HGAARO C[NH+](C)CCOc1cccc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000170600261 569242998 /nfs/dbraw/zinc/24/29/98/569242998.db2.gz FDOSJTZLTNLAAO-GOSISDBHSA-N 1 0 411.329 3.326 50 0 HGAARO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000170612233 569246457 /nfs/dbraw/zinc/24/64/57/569246457.db2.gz OWXMCFDETWFBGF-GOSISDBHSA-N 1 0 412.534 3.349 50 0 HGAARO CS[C@H]1CN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C[C@@H]1[NH+](C)C ZINC000089637011 569261482 /nfs/dbraw/zinc/26/14/82/569261482.db2.gz JBAUFOGDFHFJDL-ROUUACIJSA-N 1 0 405.589 3.077 50 0 HGAARO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000089644434 569261552 /nfs/dbraw/zinc/26/15/52/569261552.db2.gz FCMILTNGHOMPCQ-JOCHJYFZSA-N 1 0 415.559 3.492 50 0 HGAARO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000089768232 569263680 /nfs/dbraw/zinc/26/36/80/569263680.db2.gz HGLHRJRYZNSWIB-MRXNPFEDSA-N 1 0 400.748 3.017 50 0 HGAARO CCCCOc1ccc(-c2nnc(CN3CC[C@@H](N4CC[NH+](CC)CC4)C3)o2)cc1 ZINC000089954824 569269815 /nfs/dbraw/zinc/26/98/15/569269815.db2.gz NKYKALLLJBVABZ-HXUWFJFHSA-N 1 0 413.566 3.127 50 0 HGAARO C=CC(=O)NCc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000195641738 569284996 /nfs/dbraw/zinc/28/49/96/569284996.db2.gz DMMOZOSPCCFASB-OAQYLSRUSA-N 1 0 419.525 3.207 50 0 HGAARO COc1cccc(N2CC[NH+](C3CCN(C[C@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000252492659 569290594 /nfs/dbraw/zinc/29/05/94/569290594.db2.gz MRSRAUYUHDOUKR-QHCPKHFHSA-N 1 0 423.557 3.122 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)c1cccc(I)c1)Cc1ccccc1 ZINC000007683612 569300550 /nfs/dbraw/zinc/30/05/50/569300550.db2.gz CVYWFTVEPSYLII-KRWDZBQOSA-N 1 0 408.283 3.194 50 0 HGAARO O=S(=O)(c1ccc(NCc2ccc(C[NH+]3CCCC3)cc2)nc1)N1CCCC1 ZINC000007902402 569320341 /nfs/dbraw/zinc/32/03/41/569320341.db2.gz KUTVFWHVNMSZSQ-UHFFFAOYSA-N 1 0 400.548 3.074 50 0 HGAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819829 569320872 /nfs/dbraw/zinc/32/08/72/569320872.db2.gz NFYRNQOTKMGPPE-OAQYLSRUSA-N 1 0 406.615 3.068 50 0 HGAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000253389856 569365007 /nfs/dbraw/zinc/36/50/07/569365007.db2.gz VLLJMMUWEYSLRX-GKAYAJSDSA-N 1 0 421.884 3.080 50 0 HGAARO Cc1csc2nc(C[NH2+][C@@H]3[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc(=O)n12 ZINC000253417309 569367424 /nfs/dbraw/zinc/36/74/24/569367424.db2.gz FUZGSLRUGRWWST-SUYBPPKGSA-N 1 0 406.552 3.188 50 0 HGAARO CN(C(=O)CC[C@@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000012386676 569381952 /nfs/dbraw/zinc/38/19/52/569381952.db2.gz AXJDKPZLUUGVAK-SFHVURJKSA-N 1 0 419.997 3.454 50 0 HGAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000002385605 569391838 /nfs/dbraw/zinc/39/18/38/569391838.db2.gz HBHNHGKOBGIWJS-UHFFFAOYSA-N 1 0 407.470 3.350 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2OC)cc1 ZINC000013038629 569407673 /nfs/dbraw/zinc/40/76/73/569407673.db2.gz RBCOZARGHBJYNL-MRXNPFEDSA-N 1 0 419.547 3.015 50 0 HGAARO CCOC(=O)c1c(C)c2ccccc2nc1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000079014898 569423792 /nfs/dbraw/zinc/42/37/92/569423792.db2.gz SYYHPRKTSXKEAU-LJQANCHMSA-N 1 0 410.562 3.326 50 0 HGAARO COc1cc(OC)cc(C(=O)N(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000079026023 569424923 /nfs/dbraw/zinc/42/49/23/569424923.db2.gz WLFWSHBEPLDWJJ-HSZRJFAPSA-N 1 0 412.530 3.221 50 0 HGAARO COc1cccc(CNC(=O)c2ccc(N3CC[NH2+][C@@H](c4ccccc4)C3)nc2)c1 ZINC000039229406 571121932 /nfs/dbraw/zinc/12/19/32/571121932.db2.gz YMLOBIJLSKQXLL-JOCHJYFZSA-N 1 0 402.498 3.171 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2nccs2)CC1)c1cccc(OC)c1 ZINC000040071230 571152049 /nfs/dbraw/zinc/15/20/49/571152049.db2.gz HCLHSGPNMDXOSM-IBGZPJMESA-N 1 0 417.579 3.066 50 0 HGAARO CSc1ncc(Cl)c(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000040087458 571157905 /nfs/dbraw/zinc/15/79/05/571157905.db2.gz JOEWSSGDVQGQRG-OKILXGFUSA-N 1 0 420.966 3.391 50 0 HGAARO CC1CC[NH+](CCCNC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000040103726 571164460 /nfs/dbraw/zinc/16/44/60/571164460.db2.gz LPZRXFVSSALPIH-UHFFFAOYSA-N 1 0 412.328 3.464 50 0 HGAARO C[NH+](C)C[C@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@H](O)c1ccccc1 ZINC000040104955 571165712 /nfs/dbraw/zinc/16/57/12/571165712.db2.gz GWZYOBTUZIUZIP-WMZHIEFXSA-N 1 0 424.545 3.236 50 0 HGAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000040112332 571170423 /nfs/dbraw/zinc/17/04/23/571170423.db2.gz KZDQYZPXIFGDPV-SFHVURJKSA-N 1 0 419.525 3.364 50 0 HGAARO Cc1ccn2c(c1)ncc(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c2=O ZINC000040112385 571170531 /nfs/dbraw/zinc/17/05/31/571170531.db2.gz MTMVIXWUJMOLRX-SFHVURJKSA-N 1 0 404.514 3.307 50 0 HGAARO COC(=O)c1ccc(OCC[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000040153360 571200865 /nfs/dbraw/zinc/20/08/65/571200865.db2.gz NNNBNURKBGGOKL-UHFFFAOYSA-N 1 0 423.435 3.478 50 0 HGAARO CCOC(=O)c1sc2nc3c(cc2c1NC(=O)C[NH2+]C(C)C)COC(C)(C)C3 ZINC000008993552 571207945 /nfs/dbraw/zinc/20/79/45/571207945.db2.gz CTLQOVWNSJPIHL-UHFFFAOYSA-N 1 0 405.520 3.261 50 0 HGAARO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)c1 ZINC000069533585 571228994 /nfs/dbraw/zinc/22/89/94/571228994.db2.gz ZKCJNESGLTUSJJ-XMMPIXPASA-N 1 0 408.590 3.133 50 0 HGAARO CC(C)NC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000069815844 571245760 /nfs/dbraw/zinc/24/57/60/571245760.db2.gz PBSPASNKZASZGX-NRFANRHFSA-N 1 0 400.567 3.360 50 0 HGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1cccc(N2CCNC2=O)c1 ZINC000070011275 571253805 /nfs/dbraw/zinc/25/38/05/571253805.db2.gz MDCSPEDBJXNEBY-IBGZPJMESA-N 1 0 407.518 3.250 50 0 HGAARO CCOc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1C[NH+]1CCCCCC1 ZINC000009622075 571274323 /nfs/dbraw/zinc/27/43/23/571274323.db2.gz BCKLLWWQVFYPFP-UHFFFAOYSA-N 1 0 413.518 3.270 50 0 HGAARO C[NH+](C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2c(cc(F)cc2F)s1 ZINC000010066367 571294704 /nfs/dbraw/zinc/29/47/04/571294704.db2.gz ZUEOQVRZCXWWBS-INIZCTEOSA-N 1 0 419.453 3.309 50 0 HGAARO COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)c1 ZINC000010335642 571300778 /nfs/dbraw/zinc/30/07/78/571300778.db2.gz ZMTPGVAMZRYBAA-HXUWFJFHSA-N 1 0 414.527 3.438 50 0 HGAARO CC(=O)N1CCc2cc([C@H](O)C[NH+]3CCN(c4cc(Cl)ccc4C)CC3)ccc21 ZINC000020287257 571314726 /nfs/dbraw/zinc/31/47/26/571314726.db2.gz FRRHGAGXDMRXQG-HSZRJFAPSA-N 1 0 413.949 3.413 50 0 HGAARO CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000002379702 132253629 /nfs/dbraw/zinc/25/36/29/132253629.db2.gz WHKGLZIMYBWGMR-UHFFFAOYSA-N 1 0 412.559 3.352 50 0 HGAARO CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)CC1 ZINC000008608697 132331413 /nfs/dbraw/zinc/33/14/13/132331413.db2.gz JQDFUUOQLZWLDG-UHFFFAOYSA-N 1 0 422.396 3.001 50 0 HGAARO O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697964 132350008 /nfs/dbraw/zinc/35/00/08/132350008.db2.gz OJKWVJJVDUVSNI-UHFFFAOYSA-N 1 0 412.856 3.370 50 0 HGAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1)N1CCN(c2ccccn2)CC1 ZINC000012111667 132354160 /nfs/dbraw/zinc/35/41/60/132354160.db2.gz OGQHAUQVJOVCJG-FQEVSTJZSA-N 1 0 408.546 3.128 50 0 HGAARO CCc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)CC2=O)cc1 ZINC000012514850 132361342 /nfs/dbraw/zinc/36/13/42/132361342.db2.gz BNDSAOBMWZSDAU-HXUWFJFHSA-N 1 0 420.557 3.301 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)CCNC(=O)NC3CCCCC3)c(C)c2)CC1 ZINC000032410879 521698003 /nfs/dbraw/zinc/69/80/03/521698003.db2.gz UFFOEWXOPOGDJX-UHFFFAOYSA-N 1 0 415.582 3.097 50 0 HGAARO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000225460122 522108176 /nfs/dbraw/zinc/10/81/76/522108176.db2.gz MCCRXIXJLQKVMB-MJGOQNOKSA-N 1 0 416.566 3.336 50 0 HGAARO COc1cc(OC)c(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)c(OC)c1 ZINC000020601262 522792687 /nfs/dbraw/zinc/79/26/87/522792687.db2.gz BPVSHKNEWYZKEU-IBGZPJMESA-N 1 0 406.567 3.161 50 0 HGAARO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc3c(c1)NC(=O)CS3)c1ccccc1O2 ZINC000032676322 523786053 /nfs/dbraw/zinc/78/60/53/523786053.db2.gz KYFCYFAEHROHPZ-GOSISDBHSA-N 1 0 423.538 3.449 50 0 HGAARO COc1ccc(CN2CC[N@@H+](C3CSCCSC3)C[C@@H]2CCO)c(C)c1C ZINC000020539622 524031526 /nfs/dbraw/zinc/03/15/26/524031526.db2.gz JNJLZAUXPSWJCE-IBGZPJMESA-N 1 0 410.649 3.029 50 0 HGAARO C[NH+](C)CCCNC(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355579 524056953 /nfs/dbraw/zinc/05/69/53/524056953.db2.gz DYBAMXAGGZBSLA-UHFFFAOYSA-N 1 0 400.426 3.096 50 0 HGAARO COc1cccc([C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c2nccn2C)c1 ZINC000045304479 524163561 /nfs/dbraw/zinc/16/35/61/524163561.db2.gz KUVNYZCDZPGCQN-NQIIRXRSSA-N 1 0 413.566 3.329 50 0 HGAARO Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)C(C)C ZINC000032843488 525057704 /nfs/dbraw/zinc/05/77/04/525057704.db2.gz UMGIFXHTHZSGIP-HSZRJFAPSA-N 1 0 422.573 3.448 50 0 HGAARO COc1ccc([C@H](CNC(=O)CSCC(=O)Nc2cccc(C)c2)[NH+](C)C)cc1 ZINC000021912231 525357716 /nfs/dbraw/zinc/35/77/16/525357716.db2.gz YKLIZVKPCKQVCD-FQEVSTJZSA-N 1 0 415.559 3.094 50 0 HGAARO Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)NCC[NH+]3CCCCC3)c2cc1C ZINC000032945019 525668622 /nfs/dbraw/zinc/66/86/22/525668622.db2.gz QYXPABXBWFXFNP-OAHLLOKOSA-N 1 0 424.467 3.195 50 0 HGAARO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@@H+](Cc2ccc(C)cc2)CC3)c1 ZINC000020600889 525829927 /nfs/dbraw/zinc/82/99/27/525829927.db2.gz RIDDYXKGZLPNJP-GOSISDBHSA-N 1 0 419.529 3.144 50 0 HGAARO Cc1c2cccc(Cl)c2[nH]c1CN1CCN(C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000043154249 525969937 /nfs/dbraw/zinc/96/99/37/525969937.db2.gz QHPZJBWGPKSCOV-GOSISDBHSA-N 1 0 404.986 3.093 50 0 HGAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000032761043 526492077 /nfs/dbraw/zinc/49/20/77/526492077.db2.gz HEEBDMZPIRANIR-XLIONFOSSA-N 1 0 413.953 3.300 50 0 HGAARO O=S(=O)(c1ccc(Br)cc1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000032951767 527269568 /nfs/dbraw/zinc/26/95/68/527269568.db2.gz XGKIABUCBCWMNY-UHFFFAOYSA-N 1 0 401.370 3.336 50 0 HGAARO O=C(Cn1cnc2c3ccccc3oc2c1=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000032217655 527400911 /nfs/dbraw/zinc/40/09/11/527400911.db2.gz KYNBRFQEHHOEKQ-IBGZPJMESA-N 1 0 416.481 3.096 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000032907955 527528621 /nfs/dbraw/zinc/52/86/21/527528621.db2.gz BMOUWHHYJAMKMS-IBGZPJMESA-N 1 0 415.921 3.318 50 0 HGAARO COc1ccc(N(C[C@@H](O)C[NH+]2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000864172 557105237 /nfs/dbraw/zinc/10/52/37/557105237.db2.gz QFEWTZBNFSWNKE-FQEVSTJZSA-N 1 0 418.559 3.046 50 0 HGAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)CC ZINC000034831249 557466709 /nfs/dbraw/zinc/46/67/09/557466709.db2.gz SJRDQUHGZJKMOA-UHFFFAOYSA-N 1 0 401.530 3.220 50 0 HGAARO NC(=O)C1([NH+]2CCCCC2)CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000004271419 557534005 /nfs/dbraw/zinc/53/40/05/557534005.db2.gz VSMHGSGLCNLQJA-UHFFFAOYSA-N 1 0 420.557 3.098 50 0 HGAARO COc1ccc(-c2csc(N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)n2)cc1 ZINC000004271475 557534039 /nfs/dbraw/zinc/53/40/39/557534039.db2.gz COYZMNJFOMDCAR-UHFFFAOYSA-N 1 0 400.548 3.129 50 0 HGAARO COc1ccc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000035392048 557539685 /nfs/dbraw/zinc/53/96/85/557539685.db2.gz SRGJAYPBAXKOSF-KXXGJQBSSA-N 1 0 421.541 3.271 50 0 HGAARO CCOc1ccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000004578109 557569662 /nfs/dbraw/zinc/56/96/62/557569662.db2.gz IJPUVGVUXWSXCJ-UHFFFAOYSA-N 1 0 404.576 3.360 50 0 HGAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCC(N)=O ZINC000004954819 557617027 /nfs/dbraw/zinc/61/70/27/557617027.db2.gz INISUWZLJXOUIW-UHFFFAOYSA-N 1 0 423.351 3.380 50 0 HGAARO Cn1cc(/C=C/C(=O)NCC2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)cn1 ZINC000019720726 558259054 /nfs/dbraw/zinc/25/90/54/558259054.db2.gz KWKNMPVIEOSQBK-OUKQBFOZSA-N 1 0 400.526 3.219 50 0 HGAARO CN1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2ccccc2Cn2cccn2)C[C@H]1CO ZINC000019740712 558261508 /nfs/dbraw/zinc/26/15/08/558261508.db2.gz BLQHYIMGLIAHPF-ZFGGDYGUSA-N 1 0 408.521 3.214 50 0 HGAARO CCn1cc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cn1 ZINC000011704996 558270884 /nfs/dbraw/zinc/27/08/84/558270884.db2.gz ASGZWHGHAYOLQW-GOSISDBHSA-N 1 0 414.550 3.229 50 0 HGAARO Cc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCc3nc4ccccc4n3C)CC2)n1 ZINC000011789623 558277248 /nfs/dbraw/zinc/27/72/48/558277248.db2.gz KCBAQQGEMSFQIZ-HXUWFJFHSA-N 1 0 417.557 3.238 50 0 HGAARO CCc1nccn1CCC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000011819222 558282440 /nfs/dbraw/zinc/28/24/40/558282440.db2.gz NXTJQSXCKSYAKO-UHFFFAOYSA-N 1 0 400.542 3.388 50 0 HGAARO C[C@@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]C2(c3ccccc3)CC2)C[C@H](C)O1 ZINC000011819453 558282762 /nfs/dbraw/zinc/28/27/62/558282762.db2.gz HQYSGNNLSAQLJK-IYBDPMFKSA-N 1 0 410.543 3.424 50 0 HGAARO O=C(NCc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011839758 558286218 /nfs/dbraw/zinc/28/62/18/558286218.db2.gz HFYFBFGQHYHYFV-GOSISDBHSA-N 1 0 403.954 3.069 50 0 HGAARO COC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000019848349 558294884 /nfs/dbraw/zinc/29/48/84/558294884.db2.gz ADRMXWZYTIGXGZ-ZDCBYCKXSA-N 1 0 410.514 3.301 50 0 HGAARO COc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4cccnc4)O3)CC2)cc1C ZINC000011970855 558304732 /nfs/dbraw/zinc/30/47/32/558304732.db2.gz GPGLAQTVVLISTR-NRFANRHFSA-N 1 0 409.530 3.342 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](CCCC(F)(F)F)CC1 ZINC000012005461 558309264 /nfs/dbraw/zinc/30/92/64/558309264.db2.gz PMFABKQOBGTVIQ-UHFFFAOYSA-N 1 0 418.456 3.257 50 0 HGAARO CCOCCCNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000012049848 558313769 /nfs/dbraw/zinc/31/37/69/558313769.db2.gz PSOJOHRWARYPQP-UHFFFAOYSA-N 1 0 401.595 3.214 50 0 HGAARO Cc1ncoc1C(=O)N1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000012050631 558313854 /nfs/dbraw/zinc/31/38/54/558313854.db2.gz CNWZWLDSRJOOIX-OAQYLSRUSA-N 1 0 424.545 3.006 50 0 HGAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000012073657 558318633 /nfs/dbraw/zinc/31/86/33/558318633.db2.gz ALYPXKQQURDNET-OAQYLSRUSA-N 1 0 403.530 3.472 50 0 HGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)[C@@H]1CC(C(C)C)=NO1 ZINC000012093060 558324826 /nfs/dbraw/zinc/32/48/26/558324826.db2.gz QGIDJXUVUSZWDU-QFIPXVFZSA-N 1 0 419.541 3.314 50 0 HGAARO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1OC ZINC000020100444 558331696 /nfs/dbraw/zinc/33/16/96/558331696.db2.gz RJYDBJFPBHVUKV-UHFFFAOYSA-N 1 0 400.494 3.414 50 0 HGAARO CCOc1c(Cl)cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000020175465 558343618 /nfs/dbraw/zinc/34/36/18/558343618.db2.gz WHNDRTYJGRKQFJ-UHFFFAOYSA-N 1 0 403.331 3.372 50 0 HGAARO CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](Cc1ccsc1)CC2 ZINC000012278813 558364704 /nfs/dbraw/zinc/36/47/04/558364704.db2.gz RSORIAPCDYRQLJ-LJQANCHMSA-N 1 0 424.574 3.310 50 0 HGAARO COc1ccc2c(c1)C=C(CN1CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C1)CO2 ZINC000020452806 558367160 /nfs/dbraw/zinc/36/71/60/558367160.db2.gz VOZDFMKRDAILGC-QHCPKHFHSA-N 1 0 408.542 3.348 50 0 HGAARO COC(=O)CCCC(=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012305258 558374443 /nfs/dbraw/zinc/37/44/43/558374443.db2.gz QQYZXDOGSDCPGL-UHFFFAOYSA-N 1 0 401.551 3.408 50 0 HGAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]CCn1ccnc1)N1CCCCCCC1 ZINC000012305927 558374769 /nfs/dbraw/zinc/37/47/69/558374769.db2.gz BKCKUQNTMCRCKM-UHFFFAOYSA-N 1 0 414.941 3.380 50 0 HGAARO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 ZINC000012386379 558394972 /nfs/dbraw/zinc/39/49/72/558394972.db2.gz ROWITTYJQSSIAP-OAHLLOKOSA-N 1 0 404.536 3.038 50 0 HGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccc(-n2cccn2)cc1 ZINC000012432292 558406725 /nfs/dbraw/zinc/40/67/25/558406725.db2.gz DKRFDAIBRCZTJM-UHFFFAOYSA-N 1 0 409.578 3.141 50 0 HGAARO Cc1cccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)c1 ZINC000012434861 558408588 /nfs/dbraw/zinc/40/85/88/558408588.db2.gz LARRWWBIHAOMMI-QHCPKHFHSA-N 1 0 406.574 3.383 50 0 HGAARO CN(C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)C1CCOCC1 ZINC000012439681 558411078 /nfs/dbraw/zinc/41/10/78/558411078.db2.gz GUDBEUFMELZFTH-UHFFFAOYSA-N 1 0 409.530 3.376 50 0 HGAARO COc1ccc(CN(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1Cn1cncn1 ZINC000020780930 558412698 /nfs/dbraw/zinc/41/26/98/558412698.db2.gz HECOVNQJWHBSMS-XMMPIXPASA-N 1 0 419.573 3.474 50 0 HGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C2CC2)C1 ZINC000012453576 558416385 /nfs/dbraw/zinc/41/63/85/558416385.db2.gz GORYQZVAPVECNA-QGZVFWFLSA-N 1 0 420.517 3.356 50 0 HGAARO O=C(C1=CCCCC1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020993010 558426193 /nfs/dbraw/zinc/42/61/93/558426193.db2.gz RKXHDWFFEWERQS-NRFANRHFSA-N 1 0 411.546 3.024 50 0 HGAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccn3-c3ncccn3)C2)CC1 ZINC000020998427 558427498 /nfs/dbraw/zinc/42/74/98/558427498.db2.gz MKCXSDICNCIYER-HXUWFJFHSA-N 1 0 420.536 3.193 50 0 HGAARO Cc1nc(COc2ccccc2C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cs1 ZINC000021131704 558431926 /nfs/dbraw/zinc/43/19/26/558431926.db2.gz XXRDOCAXALDGDJ-UHFFFAOYSA-N 1 0 423.542 3.430 50 0 HGAARO O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000012702927 558448505 /nfs/dbraw/zinc/44/85/05/558448505.db2.gz KLSVRWSQPDGARX-QGZVFWFLSA-N 1 0 401.942 3.318 50 0 HGAARO CC(C)(C[NH2+][C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)CN1CCOCC1 ZINC000012710616 558452133 /nfs/dbraw/zinc/45/21/33/558452133.db2.gz MDDDSCQLRXPVRL-KRWDZBQOSA-N 1 0 400.489 3.017 50 0 HGAARO CC(=O)NCCNC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000012710745 558452198 /nfs/dbraw/zinc/45/21/98/558452198.db2.gz WGPJAFDZYYDGTM-UHFFFAOYSA-N 1 0 409.958 3.095 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](CCc2ccccc2)CC1 ZINC000012715664 558455090 /nfs/dbraw/zinc/45/50/90/558455090.db2.gz MWDLMFIRHCQAQA-UHFFFAOYSA-N 1 0 412.530 3.157 50 0 HGAARO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000012985722 558495281 /nfs/dbraw/zinc/49/52/81/558495281.db2.gz HEUBMONCRRCIKJ-OAQYLSRUSA-N 1 0 418.944 3.299 50 0 HGAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 ZINC000022693989 558504784 /nfs/dbraw/zinc/50/47/84/558504784.db2.gz AQMJXHSSHATNFY-FQEVSTJZSA-N 1 0 409.530 3.275 50 0 HGAARO C[C@H]1CCCC[C@]12NC(=O)N(CN1CC[NH+](Cc3cccc4ccccc43)CC1)C2=O ZINC000022775547 558509314 /nfs/dbraw/zinc/50/93/14/558509314.db2.gz QKBZUDWIOHERIE-DFBJGRDBSA-N 1 0 420.557 3.416 50 0 HGAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000013071320 558511447 /nfs/dbraw/zinc/51/14/47/558511447.db2.gz FMLRSPICFWMISW-QGZVFWFLSA-N 1 0 403.548 3.013 50 0 HGAARO COc1ccc(Cc2noc(CN(C)CC[N@@H+]3CCc4ccccc4C3)n2)cc1OC ZINC000022932584 558524892 /nfs/dbraw/zinc/52/48/92/558524892.db2.gz ZBEGEYCCSWGFFZ-UHFFFAOYSA-N 1 0 422.529 3.168 50 0 HGAARO O=C(CSc1nnc(CCC2CCCC2)[nH]1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000023080921 558533953 /nfs/dbraw/zinc/53/39/53/558533953.db2.gz BJTJTHUFKMANSM-IBGZPJMESA-N 1 0 413.591 3.410 50 0 HGAARO COc1ccc(-c2nc3c4c(C)c(C)n(CCC[NH+](C)C)c4ncn3n2)cc1OC ZINC000013682286 558567291 /nfs/dbraw/zinc/56/72/91/558567291.db2.gz ORPZSDJXBNGCNO-UHFFFAOYSA-N 1 0 408.506 3.332 50 0 HGAARO O=C(Cc1csc(NC(=O)c2ccco2)n1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023739123 558572632 /nfs/dbraw/zinc/57/26/32/558572632.db2.gz YUBRGSPLIQSBGR-GOSISDBHSA-N 1 0 424.526 3.484 50 0 HGAARO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCc3sccc3[C@@H]2C2CC2)cc1 ZINC000024768786 558611938 /nfs/dbraw/zinc/61/19/38/558611938.db2.gz YZQWABQKTZHZTO-FQEVSTJZSA-N 1 0 406.573 3.387 50 0 HGAARO Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000024829332 558614248 /nfs/dbraw/zinc/61/42/48/558614248.db2.gz IZQCKDOZJNKCRW-OAHLLOKOSA-N 1 0 401.561 3.023 50 0 HGAARO COc1ccc([C@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)[NH+](C)C)cc1 ZINC000014201489 558636791 /nfs/dbraw/zinc/63/67/91/558636791.db2.gz UBFIMBZCQKENJE-QHCPKHFHSA-N 1 0 406.530 3.459 50 0 HGAARO COC(=O)c1cc(C)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000072240742 558640390 /nfs/dbraw/zinc/64/03/90/558640390.db2.gz VKPJKGXPJKGJBK-UHFFFAOYSA-N 1 0 402.498 3.483 50 0 HGAARO CC(C)[C@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000014232981 558640507 /nfs/dbraw/zinc/64/05/07/558640507.db2.gz IQVIARQMGFVHCW-QHCPKHFHSA-N 1 0 409.486 3.120 50 0 HGAARO Cc1ccc(CN2C[C@H](C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000026355984 558659498 /nfs/dbraw/zinc/65/94/98/558659498.db2.gz HJDZEAWDUZZLHN-HSZRJFAPSA-N 1 0 405.542 3.078 50 0 HGAARO CCC[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014541352 558660148 /nfs/dbraw/zinc/66/01/48/558660148.db2.gz QIFSIFLPUMASJE-UHFFFAOYSA-N 1 0 406.530 3.333 50 0 HGAARO CSC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccccc1 ZINC000014746284 558669131 /nfs/dbraw/zinc/66/91/31/558669131.db2.gz VOKKJWUSOLFGFC-SFHVURJKSA-N 1 0 403.592 3.488 50 0 HGAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCCc1ccccc1)C2 ZINC000014754368 558671526 /nfs/dbraw/zinc/67/15/26/558671526.db2.gz PMQNWSRXAPXMAZ-OAQYLSRUSA-N 1 0 424.589 3.091 50 0 HGAARO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+]([C@H]3CCSC3)CC2)C1=O ZINC000014755152 558671681 /nfs/dbraw/zinc/67/16/81/558671681.db2.gz MUJXCAWXFHNKNI-IBGZPJMESA-N 1 0 401.576 3.242 50 0 HGAARO CCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000022936199 558674123 /nfs/dbraw/zinc/67/41/23/558674123.db2.gz LESGLRFLFUNGSD-UHFFFAOYSA-N 1 0 421.545 3.211 50 0 HGAARO C[N@H+](CCc1ccccn1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014881579 558676181 /nfs/dbraw/zinc/67/61/81/558676181.db2.gz SBUXMWIIYDWXBD-HSZRJFAPSA-N 1 0 416.525 3.252 50 0 HGAARO C[C@H](Oc1ccccc1)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000014883628 558676946 /nfs/dbraw/zinc/67/69/46/558676946.db2.gz PYJZJMHPBPNGNU-SIKLNZKXSA-N 1 0 409.530 3.179 50 0 HGAARO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)CC2)cc1 ZINC000027915118 558684699 /nfs/dbraw/zinc/68/46/99/558684699.db2.gz DVBYMCDPCKIAFY-UHFFFAOYSA-N 1 0 407.514 3.392 50 0 HGAARO C[N@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccccc1N1CCOCC1 ZINC000028901075 558706940 /nfs/dbraw/zinc/70/69/40/558706940.db2.gz OCCOHNISFUWTPO-UHFFFAOYSA-N 1 0 401.938 3.315 50 0 HGAARO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)CC1 ZINC000029358711 558714104 /nfs/dbraw/zinc/71/41/04/558714104.db2.gz KUAAIYRCHYLFAY-UHFFFAOYSA-N 1 0 405.498 3.074 50 0 HGAARO CC1(C)C(=O)N(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1(C)C ZINC000072301671 558751847 /nfs/dbraw/zinc/75/18/47/558751847.db2.gz PBLKIXCIXGLZQT-CYBMUJFWSA-N 1 0 423.355 3.099 50 0 HGAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cc(Cl)ccc2OC)c1 ZINC000016189158 558776939 /nfs/dbraw/zinc/77/69/39/558776939.db2.gz USRQCKUJTHALCA-UHFFFAOYSA-N 1 0 417.893 3.139 50 0 HGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCCN(c4nccc(C)n4)C3)CC2)cc1 ZINC000035454289 558792123 /nfs/dbraw/zinc/79/21/23/558792123.db2.gz DVCUFBDSRQVVGV-HSZRJFAPSA-N 1 0 421.589 3.338 50 0 HGAARO COc1ccc(OCC[NH2+]CC(=O)N(C)Cc2ccccc2Br)cc1 ZINC000016695479 558801025 /nfs/dbraw/zinc/80/10/25/558801025.db2.gz HNUKSNNWWXZFBC-UHFFFAOYSA-N 1 0 407.308 3.085 50 0 HGAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000016695538 558801051 /nfs/dbraw/zinc/80/10/51/558801051.db2.gz NULPNNGKLGLRIH-KRWDZBQOSA-N 1 0 402.502 3.100 50 0 HGAARO COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000016752090 558805040 /nfs/dbraw/zinc/80/50/40/558805040.db2.gz IYEDMHPOLNRHJP-OAQYLSRUSA-N 1 0 422.481 3.313 50 0 HGAARO COc1ccc(-n2ccnc2CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)cc1 ZINC000039412618 558821033 /nfs/dbraw/zinc/82/10/33/558821033.db2.gz BTKUCLKVOZMAQD-JOCHJYFZSA-N 1 0 412.578 3.330 50 0 HGAARO O=C(C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000039516209 558822019 /nfs/dbraw/zinc/82/20/19/558822019.db2.gz KGEGJFHITSQGAK-HSZRJFAPSA-N 1 0 405.542 3.022 50 0 HGAARO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2cccc(CC)c2)CC1 ZINC000004669445 558877220 /nfs/dbraw/zinc/87/72/20/558877220.db2.gz ADCBUCFLRHXPOO-UHFFFAOYSA-N 1 0 406.596 3.430 50 0 HGAARO COc1ccc([C@@H](CN2CC[NH+](C)CC2)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000058182563 558910321 /nfs/dbraw/zinc/91/03/21/558910321.db2.gz SVYKKMVDIZSBGJ-HLTWJZBHSA-N 1 0 413.949 3.467 50 0 HGAARO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC000058215696 558912396 /nfs/dbraw/zinc/91/23/96/558912396.db2.gz FPJRZUDGFHBPHE-QUCCMNQESA-N 1 0 409.530 3.393 50 0 HGAARO COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C4CC4)CC3)cc2)c(C)c1 ZINC000058355114 558921134 /nfs/dbraw/zinc/92/11/34/558921134.db2.gz FBZYSBDKLVPKAN-UHFFFAOYSA-N 1 0 415.559 3.397 50 0 HGAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033060353 558954902 /nfs/dbraw/zinc/95/49/02/558954902.db2.gz GKHKXELTXKCWKV-ZDUSSCGKSA-N 1 0 421.954 3.296 50 0 HGAARO Cc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064799735 558965475 /nfs/dbraw/zinc/96/54/75/558965475.db2.gz OETOTCBNLXUJGE-UHFFFAOYSA-N 1 0 419.451 3.366 50 0 HGAARO Cc1ccnc(N2CCC(C(=O)NCc3ccc(C[NH+]4CCCCCC4)o3)CC2)n1 ZINC000065001922 558968802 /nfs/dbraw/zinc/96/88/02/558968802.db2.gz RMVUEBHSNABQEZ-UHFFFAOYSA-N 1 0 411.550 3.287 50 0 HGAARO COc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2CC=C[C@H]2CO)OCO4)c1OC ZINC000072419374 558978474 /nfs/dbraw/zinc/97/84/74/558978474.db2.gz VNFZBKKLWVMUMF-KRWDZBQOSA-N 1 0 420.465 3.380 50 0 HGAARO Cc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc(N2CCCC2)[nH+]1 ZINC000067603385 558988013 /nfs/dbraw/zinc/98/80/13/558988013.db2.gz QPQRTLSXJQKHMV-UHFFFAOYSA-N 1 0 402.449 3.018 50 0 HGAARO Cc1ccc(CN2CCC([NH+]3CCC(C(=O)NCc4ccccn4)CC3)CC2)cc1 ZINC000067655031 558990791 /nfs/dbraw/zinc/99/07/91/558990791.db2.gz WZPUGSZXZYDJMZ-UHFFFAOYSA-N 1 0 406.574 3.383 50 0 HGAARO CC[N@@H+]1CCCN(c2ccc(C(=O)N3CCC[C@H](C(=O)CC(C)C)C3)cn2)CC1 ZINC000067787597 558992865 /nfs/dbraw/zinc/99/28/65/558992865.db2.gz GKVPFXJJXRHYEN-FQEVSTJZSA-N 1 0 400.567 3.081 50 0 HGAARO Cc1nn(C)c(C)c1C[N@@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)C1CC1 ZINC000076981659 558998799 /nfs/dbraw/zinc/99/87/99/558998799.db2.gz JGIVVMCYZUIUIU-UHFFFAOYSA-N 1 0 407.518 3.373 50 0 HGAARO CCC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)c(C)c1 ZINC000023127692 559016041 /nfs/dbraw/zinc/01/60/41/559016041.db2.gz VAUSARBNFWQSEF-UHFFFAOYSA-N 1 0 419.547 3.127 50 0 HGAARO COc1cc(/C=C/C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OC(C)C ZINC000023181390 559031383 /nfs/dbraw/zinc/03/13/83/559031383.db2.gz FTURNMGDEIBBGQ-BOWPASAUSA-N 1 0 404.551 3.500 50 0 HGAARO CC[NH+](CC)CCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 ZINC000004734630 559034128 /nfs/dbraw/zinc/03/41/28/559034128.db2.gz CQJAQBYIDXSJSM-XMMPIXPASA-N 1 0 418.541 3.182 50 0 HGAARO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000082096598 559037370 /nfs/dbraw/zinc/03/73/70/559037370.db2.gz QEQPRLLDVFJZPS-QHCPKHFHSA-N 1 0 406.574 3.383 50 0 HGAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)cc1 ZINC000082100115 559038148 /nfs/dbraw/zinc/03/81/48/559038148.db2.gz VEQLLUODZHOGEH-HSZRJFAPSA-N 1 0 406.574 3.383 50 0 HGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1Cc2ccccc2C1 ZINC000082109679 559038818 /nfs/dbraw/zinc/03/88/18/559038818.db2.gz YDHKVHAIYBGNIQ-HSZRJFAPSA-N 1 0 404.558 3.300 50 0 HGAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000082125217 559039651 /nfs/dbraw/zinc/03/96/51/559039651.db2.gz HETIMUFTBJGBDN-KRWDZBQOSA-N 1 0 413.953 3.127 50 0 HGAARO O=C(NCC(F)(F)F)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082121947 559039683 /nfs/dbraw/zinc/03/96/83/559039683.db2.gz UBKMIUNJMPLJKD-AWEZNQCLSA-N 1 0 410.440 3.187 50 0 HGAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000082128710 559040014 /nfs/dbraw/zinc/04/00/14/559040014.db2.gz ORLQQHXUGLFOET-NRFANRHFSA-N 1 0 410.537 3.214 50 0 HGAARO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)s1 ZINC000082138671 559040681 /nfs/dbraw/zinc/04/06/81/559040681.db2.gz SOZGQLOPLITNDD-HXUWFJFHSA-N 1 0 412.603 3.444 50 0 HGAARO Cc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)o1 ZINC000082138709 559040691 /nfs/dbraw/zinc/04/06/91/559040691.db2.gz HKMGSKQSHLGATB-NRFANRHFSA-N 1 0 410.562 3.018 50 0 HGAARO CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)NCCC[NH+](C)C)cc2)c1=O ZINC000033298558 559047937 /nfs/dbraw/zinc/04/79/37/559047937.db2.gz BSVVEXPCYJCUEQ-UHFFFAOYSA-N 1 0 406.530 3.401 50 0 HGAARO COc1ccc(OC)c(NC(=O)CC[NH+]2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000033345162 559064958 /nfs/dbraw/zinc/06/49/58/559064958.db2.gz BRKGKVASBNSRNV-TWGQIWQCSA-N 1 0 409.530 3.363 50 0 HGAARO Cc1ccc(NC(=O)COc2ccc(Br)cc2C[NH2+]CCN(C)C)cc1 ZINC000095326494 559079533 /nfs/dbraw/zinc/07/95/33/559079533.db2.gz WQTMCGIKFUJRBT-UHFFFAOYSA-N 1 0 420.351 3.426 50 0 HGAARO O=C(c1c[nH]cn1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095502297 559082610 /nfs/dbraw/zinc/08/26/10/559082610.db2.gz OHSVOMWBJGWQGX-IBGZPJMESA-N 1 0 400.498 3.082 50 0 HGAARO COCc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)s1 ZINC000095516431 559084403 /nfs/dbraw/zinc/08/44/03/559084403.db2.gz QICNHRDGJAFCIK-UHFFFAOYSA-N 1 0 402.564 3.263 50 0 HGAARO Cc1cc(=O)cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000095513184 559084488 /nfs/dbraw/zinc/08/44/88/559084488.db2.gz XYYFQPUZOQVOBF-OAQYLSRUSA-N 1 0 402.535 3.224 50 0 HGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCc1ccnn1C ZINC000095516962 559084541 /nfs/dbraw/zinc/08/45/41/559084541.db2.gz GMQOQJUHYUVGMA-IBGZPJMESA-N 1 0 402.970 3.419 50 0 HGAARO O=C(c1cc[nH]n1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095519458 559084966 /nfs/dbraw/zinc/08/49/66/559084966.db2.gz ZOQNVKDNYBFIPM-IBGZPJMESA-N 1 0 400.498 3.082 50 0 HGAARO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000011527205 559087721 /nfs/dbraw/zinc/08/77/21/559087721.db2.gz ABUYMDATXFJPFH-GOSISDBHSA-N 1 0 412.361 3.491 50 0 HGAARO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000247809934 559119298 /nfs/dbraw/zinc/11/92/98/559119298.db2.gz BXXHLOUIOGUWCB-MKXGPGLRSA-N 1 0 408.841 3.028 50 0 HGAARO C[C@@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000072297867 559119427 /nfs/dbraw/zinc/11/94/27/559119427.db2.gz ZVSYDZKYKYZOBF-SHACYNPGSA-N 1 0 417.413 3.429 50 0 HGAARO CN(Cc1cccc(O)c1)C(=O)N[C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000050135139 559179315 /nfs/dbraw/zinc/17/93/15/559179315.db2.gz KYQZYZJAIAKRQN-QHCPKHFHSA-N 1 0 410.562 3.301 50 0 HGAARO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000035991347 559190244 /nfs/dbraw/zinc/19/02/44/559190244.db2.gz HBNKXLQEHLNBGD-HRAATJIYSA-N 1 0 415.534 3.473 50 0 HGAARO CCCC[NH+](CCCC)CCNC(=O)Cn1nc(C)n2c3ccsc3cc2c1=O ZINC000005108788 559246502 /nfs/dbraw/zinc/24/65/02/559246502.db2.gz YFBKNYPNAUTTCH-UHFFFAOYSA-N 1 0 417.579 3.038 50 0 HGAARO CC[NH+](CC)CCCNC(=O)[C@H](C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000005135813 559250634 /nfs/dbraw/zinc/25/06/34/559250634.db2.gz JDGJPBHUZXYBFS-HNNXBMFYSA-N 1 0 400.548 3.329 50 0 HGAARO Cc1oc2c(c1C(=O)NCC1CC[NH+](Cc3ccccc3C)CC1)C1=NCCN1C=N2 ZINC000100696160 559257264 /nfs/dbraw/zinc/25/72/64/559257264.db2.gz RKSIEROYVDSWLK-UHFFFAOYSA-N 1 0 419.529 3.274 50 0 HGAARO C[NH+](C)CCn1c(=O)nc(SCC(=O)Nc2ccc(Cl)cc2)c2c1CCCC2 ZINC000005254432 560552114 /nfs/dbraw/zinc/55/21/14/560552114.db2.gz XBGREGVTBLEYFV-UHFFFAOYSA-N 1 0 420.966 3.068 50 0 HGAARO COc1ccccc1[C@@H]1c2ccc(O)cc2Oc2ncn(CCC[NH+](C)C)c(=N)c21 ZINC000005348784 560571094 /nfs/dbraw/zinc/57/10/94/560571094.db2.gz NRBALVWYGYRCKN-HXUWFJFHSA-N 1 0 406.486 3.314 50 0 HGAARO CC[N@@H+]1CCC[C@H](NC(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)C1 ZINC000005509796 560600929 /nfs/dbraw/zinc/60/09/29/560600929.db2.gz FYZKAUFDLDIJRM-AWEZNQCLSA-N 1 0 418.423 3.024 50 0 HGAARO CCOc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1C[NH+]1CCC(C)CC1 ZINC000017316068 560708328 /nfs/dbraw/zinc/70/83/28/560708328.db2.gz GYKMSTJUCHFFDG-UHFFFAOYSA-N 1 0 413.518 3.126 50 0 HGAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000018096316 560775433 /nfs/dbraw/zinc/77/54/33/560775433.db2.gz MKPIBSLBSTYPPT-IMIIHFCZSA-N 1 0 423.472 3.271 50 0 HGAARO COc1ccc(CC[NH2+]CC(=O)Nc2cc(N(C)C)nc3ccccc32)cc1OC ZINC000005695702 560786321 /nfs/dbraw/zinc/78/63/21/560786321.db2.gz HCBRYXQVMSLAOZ-UHFFFAOYSA-N 1 0 408.502 3.089 50 0 HGAARO CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CC[NH+](C)CC2)cc1 ZINC000101931930 560804913 /nfs/dbraw/zinc/80/49/13/560804913.db2.gz MRYKRRUSITWZQQ-UHFFFAOYSA-N 1 0 403.486 3.175 50 0 HGAARO C[C@@H]1[C@H]2CC[C@@]3(O)[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@@H]2C[N@@H+]2CCCC[C@@H]12 ZINC000103565464 560843315 /nfs/dbraw/zinc/84/33/15/560843315.db2.gz LENMDDFRAPDCRB-LHSSOLKLSA-N 1 0 417.634 3.432 50 0 HGAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1c(Cl)nc2ccccn21 ZINC000047297366 560886131 /nfs/dbraw/zinc/88/61/31/560886131.db2.gz COVVYAWTIOITTL-UHFFFAOYSA-N 1 0 410.909 3.353 50 0 HGAARO CCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000045974097 568422821 /nfs/dbraw/zinc/42/28/21/568422821.db2.gz VYVXRPFJNCXTPN-UHFFFAOYSA-N 1 0 411.502 3.441 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc4c(c3)OCC(=O)N4)cc2)C1 ZINC000048311033 568436767 /nfs/dbraw/zinc/43/67/67/568436767.db2.gz CLNKFAHVJIVXIL-IAGOWNOFSA-N 1 0 407.514 3.425 50 0 HGAARO CSc1ncc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1-c1ccccc1 ZINC000048355738 568441510 /nfs/dbraw/zinc/44/15/10/568441510.db2.gz LJYDFLFZUYACKS-IAGOWNOFSA-N 1 0 402.564 3.213 50 0 HGAARO O=C1C[C@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000049581144 568452828 /nfs/dbraw/zinc/45/28/28/568452828.db2.gz NBBYHVVEXVSNGZ-NMIHRBCNSA-N 1 0 420.900 3.302 50 0 HGAARO CC[NH+](CC)CCN(C(=O)c1cc(C)nn1C)c1nc2ccc(OC)cc2s1 ZINC000012286778 568458669 /nfs/dbraw/zinc/45/86/69/568458669.db2.gz WRLSQSTWVRFVEH-UHFFFAOYSA-N 1 0 401.536 3.335 50 0 HGAARO COc1ccccc1[C@H](CNC(=O)CNC(=O)c1ccccc1Cl)[NH+]1CCCC1 ZINC000022680226 568497269 /nfs/dbraw/zinc/49/72/69/568497269.db2.gz DVQLYYYVLZWZGJ-IBGZPJMESA-N 1 0 415.921 3.032 50 0 HGAARO C[N@H+](CCCNC(=O)c1cc(=O)n2c3ccccc3nc2s1)Cc1ccccc1 ZINC000033008845 568510314 /nfs/dbraw/zinc/51/03/14/568510314.db2.gz QTRBFWITKRRHIG-UHFFFAOYSA-N 1 0 406.511 3.161 50 0 HGAARO C=CC(=O)NCc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000261489596 568512972 /nfs/dbraw/zinc/51/29/72/568512972.db2.gz YPZMULKUINXMRG-QPPBQGQZSA-N 1 0 421.541 3.310 50 0 HGAARO Cc1c([C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2n1C ZINC000020391294 568603997 /nfs/dbraw/zinc/60/39/97/568603997.db2.gz PYCPCFCXBYTRBO-NRFANRHFSA-N 1 0 407.514 3.067 50 0 HGAARO CCC1(O)CC[NH+](C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC000095452714 568615404 /nfs/dbraw/zinc/61/54/04/568615404.db2.gz BAXCPKDIYGKLCO-OAQYLSRUSA-N 1 0 402.560 3.252 50 0 HGAARO CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000095460783 568620446 /nfs/dbraw/zinc/62/04/46/568620446.db2.gz RTIZAPRRXLLGSQ-SFTDATJTSA-N 1 0 416.566 3.208 50 0 HGAARO CC1=C(C(=O)NCCCN2CC[NH+](C3CCCCC3)CC2)C2(CCCCC2)OC1=O ZINC000020532907 568628721 /nfs/dbraw/zinc/62/87/21/568628721.db2.gz KETRCZYHYDQKPT-UHFFFAOYSA-N 1 0 417.594 3.019 50 0 biogenic HGAARO O=C(NCCC[NH+]1CCCCC1)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000020867166 568646889 /nfs/dbraw/zinc/64/68/89/568646889.db2.gz FABQSCBAYKKGHZ-UHFFFAOYSA-N 1 0 404.557 3.308 50 0 HGAARO O=S(=O)(NCCC[NH+]1CCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977970 568653966 /nfs/dbraw/zinc/65/39/66/568653966.db2.gz LLCKLZABULWXIG-UHFFFAOYSA-N 1 0 409.455 3.186 50 0 HGAARO CCNC(=O)c1cccc(CSc2nc(CC)cc(N3CC[NH+](CC)CC3)n2)c1 ZINC000096211146 568704647 /nfs/dbraw/zinc/70/46/47/568704647.db2.gz UMMXJTIDBOGBJV-UHFFFAOYSA-N 1 0 413.591 3.223 50 0 HGAARO CC(C)[C@H]([NH2+]CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000021584315 568720176 /nfs/dbraw/zinc/72/01/76/568720176.db2.gz VYPVGPUBAVECHM-UNMCSNQZSA-N 1 0 406.592 3.324 50 0 HGAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21)Cc1ccccc1 ZINC000021647085 568728147 /nfs/dbraw/zinc/72/81/47/568728147.db2.gz LMSMFUWRRRGJAP-JOCHJYFZSA-N 1 0 406.530 3.250 50 0 HGAARO CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc12 ZINC000096343550 568736986 /nfs/dbraw/zinc/73/69/86/568736986.db2.gz SCXLHWYZRLQMFM-UYAOXDASSA-N 1 0 412.530 3.423 50 0 HGAARO CCC[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCCCC4)cc3C2)CC1 ZINC000096398392 568747091 /nfs/dbraw/zinc/74/70/91/568747091.db2.gz GOYCPTYPXIDCOX-KRWDZBQOSA-N 1 0 403.592 3.033 50 0 HGAARO CCC[NH+]1CCC(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000000900199 568749448 /nfs/dbraw/zinc/74/94/48/568749448.db2.gz ABNOKMGODUWTTP-UHFFFAOYSA-N 1 0 401.576 3.021 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2cc(C)c(C)o2)CC1 ZINC000015076712 568749599 /nfs/dbraw/zinc/74/95/99/568749599.db2.gz XHWDDCFCZKRVTD-UHFFFAOYSA-N 1 0 416.518 3.325 50 0 HGAARO C[NH+]1CCN([C@H](CNC(=O)Nc2ccc(Cl)cc2)c2ccc3c(c2)OCO3)CC1 ZINC000022577229 568770069 /nfs/dbraw/zinc/77/00/69/568770069.db2.gz UAEOGHCOSFQSMR-GOSISDBHSA-N 1 0 416.909 3.179 50 0 HGAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225571966 568774528 /nfs/dbraw/zinc/77/45/28/568774528.db2.gz YFRDRNNBRAXUBC-GOSISDBHSA-N 1 0 402.539 3.174 50 0 HGAARO C[N@H+](CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O)Cc1ccccc1 ZINC000003010132 568837592 /nfs/dbraw/zinc/83/75/92/568837592.db2.gz RSCUFRMSOHVKDA-UHFFFAOYSA-N 1 0 424.932 3.202 50 0 HGAARO COCc1ccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC2)o1 ZINC000299773838 568874484 /nfs/dbraw/zinc/87/44/84/568874484.db2.gz FGCXPCLWLLPZGB-GOSISDBHSA-N 1 0 406.552 3.205 50 0 HGAARO Cc1csc2nc(CN3C(=O)CC[C@H]3CC[NH2+]CCOc3ccc(F)cc3)cn12 ZINC000299777984 568874691 /nfs/dbraw/zinc/87/46/91/568874691.db2.gz MBDMFLAKHTWDBF-SFHVURJKSA-N 1 0 416.522 3.393 50 0 HGAARO CCC(CC)[C@@H](CNC(=O)CCCNC(=O)c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000030941376 568904741 /nfs/dbraw/zinc/90/47/41/568904741.db2.gz IFVBNKNTAJHNQH-HXUWFJFHSA-N 1 0 423.985 3.103 50 0 HGAARO COc1ccc([C@H](CNC(=O)NCc2ccc(NC(=O)C(C)C)cc2)[NH+](C)C)cc1 ZINC000030987179 568907667 /nfs/dbraw/zinc/90/76/67/568907667.db2.gz VBSIEPMACPNTSG-NRFANRHFSA-N 1 0 412.534 3.392 50 0 HGAARO O=C(Cn1ncc2ccccc2c1=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670445283 568911238 /nfs/dbraw/zinc/91/12/38/568911238.db2.gz MBKRLNCHQFGYDX-JOCHJYFZSA-N 1 0 404.514 3.130 50 0 HGAARO O=C(NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1(N2CCOCC2)CCCCC1 ZINC000670459290 568947326 /nfs/dbraw/zinc/94/73/26/568947326.db2.gz SFCQDOPPICWZEC-HSZRJFAPSA-N 1 0 413.606 3.092 50 0 HGAARO O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000004199801 568951248 /nfs/dbraw/zinc/95/12/48/568951248.db2.gz DKBNJAUUKBWPGF-HNNXBMFYSA-N 1 0 415.419 3.335 50 0 HGAARO Cc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1 ZINC000059415105 568953126 /nfs/dbraw/zinc/95/31/26/568953126.db2.gz VPMFYHWUKMLBMB-VGUVQKNXSA-N 1 0 424.585 3.402 50 0 biogenic HGAARO C[N@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCCc2ccccc21 ZINC000007988708 568965946 /nfs/dbraw/zinc/96/59/46/568965946.db2.gz HCVGNTXMOZHHAD-KRWDZBQOSA-N 1 0 405.420 3.168 50 0 HGAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)CCc2ccsc2)cc1 ZINC000007990301 568966833 /nfs/dbraw/zinc/96/68/33/568966833.db2.gz BCKUZENCTAZRQG-UHFFFAOYSA-N 1 0 421.588 3.034 50 0 HGAARO Cc1cc(=O)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)nn1-c1ccccc1F ZINC000008013090 568968430 /nfs/dbraw/zinc/96/84/30/568968430.db2.gz XTJKDRJGVMJERH-UHFFFAOYSA-N 1 0 420.488 3.206 50 0 HGAARO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008156372 568977968 /nfs/dbraw/zinc/97/79/68/568977968.db2.gz ZQZFAMGYCSJFQO-PXNSSMCTSA-N 1 0 405.564 3.064 50 0 HGAARO CCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+](CC)CC ZINC000008343047 568993763 /nfs/dbraw/zinc/99/37/63/568993763.db2.gz WYJZHNAQRWDNIZ-UHFFFAOYSA-N 1 0 404.580 3.137 50 0 HGAARO O=C(NCC1CC[NH+](CCc2ccc(F)cc2)CC1)N[C@@H]1COc2ccccc2C1 ZINC000015787348 569007863 /nfs/dbraw/zinc/00/78/63/569007863.db2.gz AHDMQENBIQRSFD-QFIPXVFZSA-N 1 0 411.521 3.383 50 0 HGAARO CCOc1ccccc1CN1CCN(Cc2cc(OC)ccc2OC)C[C@H]1CCO ZINC000104369442 569008445 /nfs/dbraw/zinc/00/84/45/569008445.db2.gz LRFMMEMNOXFXTJ-OAQYLSRUSA-N 1 0 414.546 3.171 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3nc4ccccc4[nH]3)C[C@H]2CCO)c(C)c1C ZINC000104512343 569008872 /nfs/dbraw/zinc/00/88/72/569008872.db2.gz OWJFQUKPIKRMDK-HXUWFJFHSA-N 1 0 408.546 3.257 50 0 HGAARO COc1cccc(C[N@H+](C[C@H](O)COC(C)C)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000104983784 569009782 /nfs/dbraw/zinc/00/97/82/569009782.db2.gz YFXVDJMYIPCDOF-JTHBVZDNSA-N 1 0 412.530 3.476 50 0 HGAARO CCc1ccc([C@H](CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)[NH+](C)C)cc1 ZINC000012909419 569021744 /nfs/dbraw/zinc/02/17/44/569021744.db2.gz VBSVXWMWHDGVOV-LADGPHEKSA-N 1 0 409.574 3.351 50 0 HGAARO C[C@@H]1CN(C(=O)CCC(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)c2ccccc2O1 ZINC000015942049 569024196 /nfs/dbraw/zinc/02/41/96/569024196.db2.gz YTEQOHXBFOSWQV-CEXWTWQISA-N 1 0 401.551 3.350 50 0 HGAARO CC(C)NC(=O)C[N@@H+]1CCCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000012929832 569024433 /nfs/dbraw/zinc/02/44/33/569024433.db2.gz KDGOBDQNNODMBN-UHFFFAOYSA-N 1 0 409.559 3.395 50 0 HGAARO CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)c1C ZINC000012932468 569025074 /nfs/dbraw/zinc/02/50/74/569025074.db2.gz VPHBIILAPDLPII-IBGZPJMESA-N 1 0 413.518 3.384 50 0 HGAARO Cc1sc2nc(-c3cccs3)nc(N3CCN(C(=O)C[NH+](C)C)CC3)c2c1C ZINC000012949266 569029381 /nfs/dbraw/zinc/02/93/81/569029381.db2.gz MFILGCSTSBZICC-UHFFFAOYSA-N 1 0 415.588 3.247 50 0 HGAARO C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022916884 569031770 /nfs/dbraw/zinc/03/17/70/569031770.db2.gz XBFRELWUKAWEQY-VSKRKVRLSA-N 1 0 421.585 3.418 50 0 HGAARO Cc1nnc(-c2ccc3ccn(CC(=O)N4CCC([NH+]5CCCCC5)CC4)c3c2)o1 ZINC000035461997 569038045 /nfs/dbraw/zinc/03/80/45/569038045.db2.gz SZYXZERLJHFZAE-UHFFFAOYSA-N 1 0 407.518 3.477 50 0 HGAARO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000027573455 569052141 /nfs/dbraw/zinc/05/21/41/569052141.db2.gz ZATLQMOVZNBWCC-UYAOXDASSA-N 1 0 409.530 3.093 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCN(c3cnccn3)C2)C1 ZINC000242140858 569054989 /nfs/dbraw/zinc/05/49/89/569054989.db2.gz WPWYFCUHQSGAIX-KNQAVFIVSA-N 1 0 407.562 3.241 50 0 HGAARO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000245311961 569055763 /nfs/dbraw/zinc/05/57/63/569055763.db2.gz QYKFPSKFNDXJHN-RTXPOLOASA-N 1 0 421.884 3.080 50 0 HGAARO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000247891121 569057630 /nfs/dbraw/zinc/05/76/30/569057630.db2.gz VOPLWFGSMDFFHN-YIKPNSEUSA-N 1 0 421.884 3.080 50 0 HGAARO Cc1cc(Cl)cc(Cl)c1CNC(=O)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000426485689 569073187 /nfs/dbraw/zinc/07/31/87/569073187.db2.gz OCGYXAKCAPEHEE-MRXNPFEDSA-N 1 0 400.350 3.433 50 0 HGAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000036096047 569090075 /nfs/dbraw/zinc/09/00/75/569090075.db2.gz NOVNBTNIEHSDQI-FPOVZHCZSA-N 1 0 401.503 3.125 50 0 HGAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC000036103667 569092375 /nfs/dbraw/zinc/09/23/75/569092375.db2.gz WEWIIELFVAKTGH-FQEVSTJZSA-N 1 0 401.503 3.410 50 0 HGAARO COc1cccc(C[N@H+]2CC=C(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)c1 ZINC000064817991 569101284 /nfs/dbraw/zinc/10/12/84/569101284.db2.gz FSTDYDKNGHUSPK-UHFFFAOYSA-N 1 0 421.541 3.185 50 0 HGAARO COc1ccc(-c2cc3ccc(OCC[NH+]4CCC(C(N)=O)CC4)cc3oc2=O)cc1 ZINC000006760798 569114182 /nfs/dbraw/zinc/11/41/82/569114182.db2.gz KTSRYMKGWPUNPR-UHFFFAOYSA-N 1 0 422.481 3.045 50 0 HGAARO C[NH+]1CCN(CC2=CC(C)(C)N(S(=O)(=O)c3ccccc3)c3ccccc32)CC1 ZINC000169681432 569127529 /nfs/dbraw/zinc/12/75/29/569127529.db2.gz ZQZAKALBFXGNKB-UHFFFAOYSA-N 1 0 411.571 3.305 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccccc2OC)CC1 ZINC000036345388 569143226 /nfs/dbraw/zinc/14/32/26/569143226.db2.gz ADBJCSAPHBMCGD-JOCHJYFZSA-N 1 0 424.520 3.150 50 0 HGAARO CCC[NH+](CCC)CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCC3 ZINC000006840965 569151507 /nfs/dbraw/zinc/15/15/07/569151507.db2.gz RDULWILYWVVRAW-UHFFFAOYSA-N 1 0 404.580 3.345 50 0 HGAARO COc1cccc(Cn2nnc3cc(C(=O)NCCC[NH+]4CCCCC4)ccc32)c1 ZINC000065030405 569157135 /nfs/dbraw/zinc/15/71/35/569157135.db2.gz SMGBOFAMDDOYII-UHFFFAOYSA-N 1 0 407.518 3.094 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2ccccc2Oc2ncccc2C1=O ZINC000006878015 569164819 /nfs/dbraw/zinc/16/48/19/569164819.db2.gz WEDBGCBQRJXTRD-QGZVFWFLSA-N 1 0 408.502 3.215 50 0 HGAARO CC[NH+]1CCN(c2ccccc2NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000036392533 569167640 /nfs/dbraw/zinc/16/76/40/569167640.db2.gz CCIATNKVHVWDTF-UHFFFAOYSA-N 1 0 424.589 3.100 50 0 HGAARO C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000036395391 569168722 /nfs/dbraw/zinc/16/87/22/569168722.db2.gz YFRVCXMULMTCAR-JXALWOEJSA-N 1 0 407.558 3.300 50 0 HGAARO CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000169779705 569174563 /nfs/dbraw/zinc/17/45/63/569174563.db2.gz HTVQNNQLGZYRGY-XLIONFOSSA-N 1 0 423.561 3.078 50 0 HGAARO CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000169779707 569174579 /nfs/dbraw/zinc/17/45/79/569174579.db2.gz HTVQNNQLGZYRGY-YLJYHZDGSA-N 1 0 423.561 3.078 50 0 HGAARO COc1ccc(CNC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)cc1 ZINC000065256311 569208443 /nfs/dbraw/zinc/20/84/43/569208443.db2.gz KCOOXLBXJYTJGE-QFIPXVFZSA-N 1 0 402.498 3.171 50 0 HGAARO O=C(NC1CC1)c1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Br)cc3)C2)nc1 ZINC000065256963 569208555 /nfs/dbraw/zinc/20/85/55/569208555.db2.gz FLRNYSVFBBWYBG-GOSISDBHSA-N 1 0 415.335 3.105 50 0 HGAARO COc1ccc2cc3cc(C(=O)NCCN4CC[NH+](C)CC4)sc3nc2c1Cl ZINC000065330817 569225142 /nfs/dbraw/zinc/22/51/42/569225142.db2.gz QLICMGITVUAIJB-UHFFFAOYSA-N 1 0 418.950 3.089 50 0 HGAARO C[NH+](C)C[C@@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)[C@H](O)c1ccccc1 ZINC000065479314 569231597 /nfs/dbraw/zinc/23/15/97/569231597.db2.gz BPDDWYHHXDCHAE-FOIQADDNSA-N 1 0 419.909 3.144 50 0 HGAARO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000065497076 569232330 /nfs/dbraw/zinc/23/23/30/569232330.db2.gz SSNHPGYRRZDWGI-DOTOQJQBSA-N 1 0 409.372 3.059 50 0 HGAARO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000007339609 569234040 /nfs/dbraw/zinc/23/40/40/569234040.db2.gz AASANZPJGNRRPI-UHFFFAOYSA-N 1 0 407.580 3.454 50 0 HGAARO C[NH+](C)CCOc1cccc(CC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000170600260 569242994 /nfs/dbraw/zinc/24/29/94/569242994.db2.gz FDOSJTZLTNLAAO-SFHVURJKSA-N 1 0 411.329 3.326 50 0 HGAARO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 ZINC000170602932 569243818 /nfs/dbraw/zinc/24/38/18/569243818.db2.gz VLCLKRUVZPBHDQ-UHFFFAOYSA-N 1 0 400.544 3.217 50 0 HGAARO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c2c3c(c(=O)oc2c1)CCC3 ZINC000170613596 569246900 /nfs/dbraw/zinc/24/69/00/569246900.db2.gz GZKZUSFMHOOODR-PXNSSMCTSA-N 1 0 424.541 3.350 50 0 HGAARO O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000010216969 569253485 /nfs/dbraw/zinc/25/34/85/569253485.db2.gz IZPNDAWWFCGFGE-UHFFFAOYSA-N 1 0 412.494 3.128 50 0 HGAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000089937327 569269104 /nfs/dbraw/zinc/26/91/04/569269104.db2.gz XBHQIULKOZHLCJ-XXBNENTESA-N 1 0 421.541 3.219 50 0 HGAARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000002147868 569289761 /nfs/dbraw/zinc/28/97/61/569289761.db2.gz GLQDHYZYYYRCEH-XUVXKRRUSA-N 1 0 413.521 3.436 50 0 biogenic HGAARO O=C(/C=C/c1ccccc1)N1CCC([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000034912200 569292615 /nfs/dbraw/zinc/29/26/15/569292615.db2.gz BLRMLGAYZZWACH-MDZDMXLPSA-N 1 0 409.574 3.415 50 0 HGAARO Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000007771021 569308352 /nfs/dbraw/zinc/30/83/52/569308352.db2.gz XBJYWQBCAGPPLC-UHFFFAOYSA-N 1 0 421.607 3.209 50 0 HGAARO CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)CC1 ZINC000007776958 569308455 /nfs/dbraw/zinc/30/84/55/569308455.db2.gz QOOCAFCIMNRIJZ-UHFFFAOYSA-N 1 0 415.559 3.318 50 0 HGAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4ccsc4)CC3)C2)CC1 ZINC000581819677 569320680 /nfs/dbraw/zinc/32/06/80/569320680.db2.gz AWRQGJNNVMQLCL-HXUWFJFHSA-N 1 0 405.608 3.176 50 0 HGAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)CC1 ZINC000581819824 569320926 /nfs/dbraw/zinc/32/09/26/569320926.db2.gz NDWGUKBXUHQDSO-HSZRJFAPSA-N 1 0 413.606 3.185 50 0 HGAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH+]1CCN(c3ccccc3)CC1)C2 ZINC000014741098 569409444 /nfs/dbraw/zinc/40/94/44/569409444.db2.gz DAQOYBHSHLTENM-NRFANRHFSA-N 1 0 421.589 3.116 50 0 HGAARO CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000078752157 569420278 /nfs/dbraw/zinc/42/02/78/569420278.db2.gz DQLYZGHBQLZQDR-FQEVSTJZSA-N 1 0 415.559 3.068 50 0 HGAARO C[NH+]1CCN([C@@H](CNC(=O)COc2ccc3ccccc3c2)c2ccsc2)CC1 ZINC000019358993 569420294 /nfs/dbraw/zinc/42/02/94/569420294.db2.gz LVUXSKBPRYUSEJ-QFIPXVFZSA-N 1 0 409.555 3.385 50 0 HGAARO O=C(Nc1cccc(OC(F)F)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000078975205 569422810 /nfs/dbraw/zinc/42/28/10/569422810.db2.gz SJZWHCIWHXUESG-LPHOPBHVSA-N 1 0 405.445 3.293 50 0 HGAARO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000040018039 571139098 /nfs/dbraw/zinc/13/90/98/571139098.db2.gz ZATLQMOVZNBWCC-QUCCMNQESA-N 1 0 409.530 3.093 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000040033658 571141102 /nfs/dbraw/zinc/14/11/02/571141102.db2.gz YMYPVVOSJBQIJE-UHFFFAOYSA-N 1 0 418.497 3.242 50 0 HGAARO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)C[C@H](C)O1 ZINC000040087477 571157890 /nfs/dbraw/zinc/15/78/90/571157890.db2.gz ICRUAOLBKNCHLM-GJZGRUSLSA-N 1 0 418.335 3.383 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccsc1 ZINC000040089480 571159399 /nfs/dbraw/zinc/15/93/99/571159399.db2.gz CMCOUZWKSZPNGS-VQIMIIECSA-N 1 0 403.548 3.393 50 0 HGAARO CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH2+]C[C@H]2C)cc1 ZINC000245326482 571225078 /nfs/dbraw/zinc/22/50/78/571225078.db2.gz FIYFSGPSPYEMRH-HXOBKFHXSA-N 1 0 424.520 3.196 50 0 HGAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000069569982 571230366 /nfs/dbraw/zinc/23/03/66/571230366.db2.gz LIYXUXZRZGUCII-QHCPKHFHSA-N 1 0 419.569 3.216 50 0 HGAARO O=C(Nc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1)C1=CSCCO1 ZINC000009737637 571283037 /nfs/dbraw/zinc/28/30/37/571283037.db2.gz KZIJMIXIHAWCDJ-UHFFFAOYSA-N 1 0 415.559 3.320 50 0 HGAARO CC1(C)CC(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC(C)(C)[NH2+]1 ZINC000010405065 571302100 /nfs/dbraw/zinc/30/21/00/571302100.db2.gz CYDKWVWROZWMJI-UHFFFAOYSA-N 1 0 400.548 3.363 50 0 HGAARO Cc1ccc(-c2nnc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)c3ccccc32)cc1 ZINC000002222927 132249721 /nfs/dbraw/zinc/24/97/21/132249721.db2.gz PMYDLBFYGGRHKY-UHFFFAOYSA-N 1 0 415.541 3.350 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCC(=O)N2CCSc3ccccc32)C1 ZINC000006750748 132314906 /nfs/dbraw/zinc/31/49/06/132314906.db2.gz IVEKUGRBNBVFPV-HDICACEKSA-N 1 0 403.592 3.390 50 0 HGAARO COc1ccc([C@@H](CNC(=O)N2CCN(c3ccccc3)CC2)[NH+]2CCCC2)cc1 ZINC000009595919 132341449 /nfs/dbraw/zinc/34/14/49/132341449.db2.gz QYJAFNOTEHYFIJ-HSZRJFAPSA-N 1 0 408.546 3.364 50 0 HGAARO O=C(Nc1ccc(F)cc1F)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011698000 132350160 /nfs/dbraw/zinc/35/01/60/132350160.db2.gz PZDQSUUOEXDDOW-UHFFFAOYSA-N 1 0 411.416 3.248 50 0 HGAARO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000032769509 521026075 /nfs/dbraw/zinc/02/60/75/521026075.db2.gz LFTPDVSBUBNMMA-UHFFFAOYSA-N 1 0 400.544 3.252 50 0 HGAARO CCOC(=O)c1noc2ncnc(NCC3CC[NH+](Cc4cccc(C)c4)CC3)c12 ZINC000035538552 521607850 /nfs/dbraw/zinc/60/78/50/521607850.db2.gz KPCWFMSHZFMGTD-UHFFFAOYSA-N 1 0 409.490 3.427 50 0 HGAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)CSc2ccccc2)CC1 ZINC000030827888 521697022 /nfs/dbraw/zinc/69/70/22/521697022.db2.gz NETYBTIUMCPMGR-UHFFFAOYSA-N 1 0 413.543 3.346 50 0 HGAARO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000239762205 522057103 /nfs/dbraw/zinc/05/71/03/522057103.db2.gz CLJNYNHNXOZERL-NNIGNNQHSA-N 1 0 407.352 3.263 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(F)cc1 ZINC000032622657 522079213 /nfs/dbraw/zinc/07/92/13/522079213.db2.gz IOXVBDGPCMJIKY-GOSISDBHSA-N 1 0 411.433 3.285 50 0 HGAARO COc1cc2c(cc1OC)-c1c(c(C(=O)NCC[NH+](C)C)nn1-c1ccc(C)cc1)C2 ZINC000031814431 523020545 /nfs/dbraw/zinc/02/05/45/523020545.db2.gz ISOKWGHBUQIENI-UHFFFAOYSA-N 1 0 420.513 3.061 50 0 HGAARO CCn1cc(CN2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)c(C)n1 ZINC000020598780 523372743 /nfs/dbraw/zinc/37/27/43/523372743.db2.gz YYZIEBBJBGJZLY-OAQYLSRUSA-N 1 0 400.567 3.368 50 0 HGAARO CCc1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000019902230 524003038 /nfs/dbraw/zinc/00/30/38/524003038.db2.gz QQJAXUIGZLDWGB-JOCHJYFZSA-N 1 0 415.965 3.386 50 0 HGAARO COc1cccc([C@H](CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[NH+](C)C)c1 ZINC000041950310 524158634 /nfs/dbraw/zinc/15/86/34/524158634.db2.gz LFQWHDCOMMFZTH-HKUYNNGSSA-N 1 0 405.539 3.061 50 0 HGAARO C[C@H](CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000045966746 524303612 /nfs/dbraw/zinc/30/36/12/524303612.db2.gz USWJSMZFODYCAA-GOSISDBHSA-N 1 0 413.949 3.408 50 0 HGAARO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000032740375 524520188 /nfs/dbraw/zinc/52/01/88/524520188.db2.gz LGGVVJFQBVNWIW-LPHOPBHVSA-N 1 0 403.548 3.137 50 0 HGAARO Cc1ccc(N2C[C@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CC2=O)cc1F ZINC000032400949 524984249 /nfs/dbraw/zinc/98/42/49/524984249.db2.gz ASYBDMMWEJHZPJ-HXUWFJFHSA-N 1 0 409.505 3.052 50 0 HGAARO COc1ccc([C@@H](CNC(=O)CSCC(=O)Nc2cccc(C)c2)[NH+](C)C)cc1 ZINC000021912227 525181880 /nfs/dbraw/zinc/18/18/80/525181880.db2.gz YKLIZVKPCKQVCD-HXUWFJFHSA-N 1 0 415.559 3.094 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+](C)C)cc1OC ZINC000032622647 525185091 /nfs/dbraw/zinc/18/50/91/525185091.db2.gz NHCMPMVUSCTLPV-OAHLLOKOSA-N 1 0 401.488 3.453 50 0 HGAARO Cc1cc(NC(=O)[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccccc2)no1 ZINC000032899563 525229391 /nfs/dbraw/zinc/22/93/91/525229391.db2.gz UIZSKLILYKGWOI-HXUWFJFHSA-N 1 0 408.458 3.150 50 0 HGAARO Cc1cc(O)c2c(C)c(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)oc2c1 ZINC000020566995 525325530 /nfs/dbraw/zinc/32/55/30/525325530.db2.gz XZNJGTPFKKFCOA-UHFFFAOYSA-N 1 0 420.509 3.439 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2CCN(C(=O)C3CC3)CC2)C1 ZINC000048353703 525386282 /nfs/dbraw/zinc/38/62/82/525386282.db2.gz LKLDGJMYDREKQK-KDURUIRLSA-N 1 0 411.590 3.429 50 0 HGAARO O=C(CC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1)N1CCc2ccccc21 ZINC000032870829 526487211 /nfs/dbraw/zinc/48/72/11/526487211.db2.gz DAYVBWITWJYDAQ-UHFFFAOYSA-N 1 0 413.949 3.316 50 0 HGAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3C)CC2)n1 ZINC000009620869 535521400 /nfs/dbraw/zinc/52/14/00/535521400.db2.gz WPLQYBBLSXAXFT-UHFFFAOYSA-N 1 0 417.579 3.160 50 0 HGAARO COc1ccccc1N1CC[NH+](C2CCN(C(=O)COc3cccc(C)c3)CC2)CC1 ZINC000004712113 537068516 /nfs/dbraw/zinc/06/85/16/537068516.db2.gz WRCCIQNWLHYTMY-UHFFFAOYSA-N 1 0 423.557 3.196 50 0 HGAARO Cc1ccc(N(C[C@@H](O)C[NH+]2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000864217 557105155 /nfs/dbraw/zinc/10/51/55/557105155.db2.gz XFZZBBILBJGSKP-NRFANRHFSA-N 1 0 402.560 3.346 50 0 HGAARO COCCN(C[C@@H]1C[N@H+](Cc2ccc(C)o2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000034740557 557443985 /nfs/dbraw/zinc/44/39/85/557443985.db2.gz RFSADAQIBLDOOY-UGKGYDQZSA-N 1 0 418.509 3.064 50 0 HGAARO O=C(Cc1ccccc1)N1C[C@H](C(=O)NCC[NH+]2CCCC2)C[C@H](c2ccccc2)C1 ZINC000034738229 557447772 /nfs/dbraw/zinc/44/77/72/557447772.db2.gz SEDHYZBJEMBNIK-BJKOFHAPSA-N 1 0 419.569 3.073 50 0 HGAARO Cc1cccc(-n2nc(C(=O)NC3CC[NH+](C)CC3)nc2CCc2ccccc2)c1 ZINC000034911788 557476358 /nfs/dbraw/zinc/47/63/58/557476358.db2.gz ABSVSQHCYYGKFT-UHFFFAOYSA-N 1 0 403.530 3.185 50 0 HGAARO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Br)cc1 ZINC000005425099 557653071 /nfs/dbraw/zinc/65/30/71/557653071.db2.gz DYUKMAHIKYBHGF-SFHVURJKSA-N 1 0 412.287 3.395 50 0 HGAARO C[NH+]1CCC(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)CC1 ZINC000002780319 557761672 /nfs/dbraw/zinc/76/16/72/557761672.db2.gz BBOJLARIYKHWGJ-UHFFFAOYSA-N 1 0 409.437 3.301 50 0 HGAARO CC[NH+](CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000022704717 557795596 /nfs/dbraw/zinc/79/55/96/557795596.db2.gz JVEGJYQNRXULIG-UHFFFAOYSA-N 1 0 407.511 3.007 50 0 HGAARO C[NH+]1CCN([C@@H](CNC(=O)COc2ccc3ccccc3c2)c2ccc(F)cc2)CC1 ZINC000022794737 557821995 /nfs/dbraw/zinc/82/19/95/557821995.db2.gz XSAWFSPCZMMJQF-DEOSSOPVSA-N 1 0 421.516 3.463 50 0 HGAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(OCCO)cc2)CC1 ZINC000011662220 558265878 /nfs/dbraw/zinc/26/58/78/558265878.db2.gz ZYKKNXZACAYSIP-UHFFFAOYSA-N 1 0 400.523 3.076 50 0 HGAARO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(OC(C)C)cc1)CC2 ZINC000011787173 558276407 /nfs/dbraw/zinc/27/64/07/558276407.db2.gz SGMJPQOJLBMCSJ-NRFANRHFSA-N 1 0 413.566 3.347 50 0 HGAARO COC[C@H]1CCC[N@H+](Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)C1 ZINC000011820157 558283359 /nfs/dbraw/zinc/28/33/59/558283359.db2.gz CXOFCHQFQCOMOS-FQEVSTJZSA-N 1 0 406.530 3.465 50 0 HGAARO COc1cc(C(=O)NCc2nc(C)c[nH]2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011820255 558283716 /nfs/dbraw/zinc/28/37/16/558283716.db2.gz BFWHUHMERQPOEP-UHFFFAOYSA-N 1 0 412.534 3.443 50 0 HGAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000011821052 558284293 /nfs/dbraw/zinc/28/42/93/558284293.db2.gz MLAVLKKXEYEUJZ-UHFFFAOYSA-N 1 0 403.910 3.155 50 0 HGAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)n1 ZINC000011935505 558299682 /nfs/dbraw/zinc/29/96/82/558299682.db2.gz FLRJTJAYNFOBCV-GOSISDBHSA-N 1 0 408.550 3.260 50 0 HGAARO CC1CC[NH+](CCC2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC000019890126 558302750 /nfs/dbraw/zinc/30/27/50/558302750.db2.gz MEWMEYFRUOQIOW-OAQYLSRUSA-N 1 0 401.526 3.292 50 0 HGAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccnn1C ZINC000011958496 558303878 /nfs/dbraw/zinc/30/38/78/558303878.db2.gz OHVONRIIJJXLOI-KRWDZBQOSA-N 1 0 408.468 3.466 50 0 HGAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCN1CC[NH+](C)CC1 ZINC000019902543 558305373 /nfs/dbraw/zinc/30/53/73/558305373.db2.gz FSEMDLVNGCNLCZ-UHFFFAOYSA-N 1 0 401.532 3.168 50 0 HGAARO C[NH+](C)CCN1C[C@@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CCC1=O ZINC000012075312 558319473 /nfs/dbraw/zinc/31/94/73/558319473.db2.gz YSKWTLFKEWSYQT-QFIPXVFZSA-N 1 0 407.558 3.125 50 0 HGAARO COCCNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(C)c1 ZINC000012151235 558339112 /nfs/dbraw/zinc/33/91/12/558339112.db2.gz GMALAYIHDQJLFR-NQIIRXRSSA-N 1 0 424.570 3.369 50 0 HGAARO Cc1c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000012154224 558339558 /nfs/dbraw/zinc/33/95/58/558339558.db2.gz BWOHOCWONCYZOV-INIZCTEOSA-N 1 0 410.547 3.113 50 0 HGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C3CSCCSC3)C2)cc1OC ZINC000020201405 558345674 /nfs/dbraw/zinc/34/56/74/558345674.db2.gz CRXHCHWDTCZWTH-SFHVURJKSA-N 1 0 410.649 3.491 50 0 HGAARO COc1cc(CN2CC[N@H+](Cc3cn(C)c4ccccc34)C[C@@H]2CCO)cc(OC)c1 ZINC000020209002 558347178 /nfs/dbraw/zinc/34/71/78/558347178.db2.gz LNDGNWCEDBSUPC-NRFANRHFSA-N 1 0 423.557 3.264 50 0 HGAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)C2=NNC(=O)CC2)C2CCCC2)CC1 ZINC000012200923 558351287 /nfs/dbraw/zinc/35/12/87/558351287.db2.gz DXDXIGJXGHFLRJ-UHFFFAOYSA-N 1 0 424.589 3.287 50 0 HGAARO CCc1c(C(=O)NCC(C)(C)C[NH+](C)C)c(=O)cc(C)n1Cc1ccc(OC)cc1 ZINC000012218829 558354737 /nfs/dbraw/zinc/35/47/37/558354737.db2.gz ZOAKLNYUEGSUBZ-UHFFFAOYSA-N 1 0 413.562 3.094 50 0 HGAARO Cn1c(CCN2C(=O)CC[C@H]2CC[NH2+]CCOc2ccc(F)cc2)nc2ccccc21 ZINC000012246167 558361718 /nfs/dbraw/zinc/36/17/18/558361718.db2.gz HCVDSSKUCBOUDL-IBGZPJMESA-N 1 0 424.520 3.305 50 0 HGAARO CC(C)C(=O)NC[C@@H]1CCC2(CC[NH+](C[C@@H](C)Cc3ccc4c(c3)OCO4)CC2)O1 ZINC000012245847 558361740 /nfs/dbraw/zinc/36/17/40/558361740.db2.gz SVUBMDQQQXWQFY-ICSRJNTNSA-N 1 0 416.562 3.380 50 0 HGAARO O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(=O)N(CC[NH+]2CCCC2)CC1 ZINC000012278644 558364673 /nfs/dbraw/zinc/36/46/73/558364673.db2.gz SIMRTYIJLAXONC-UHFFFAOYSA-N 1 0 405.542 3.053 50 0 HGAARO Cn1ccnc1CN(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012298491 558368521 /nfs/dbraw/zinc/36/85/21/558368521.db2.gz LPAALVAXGJTZQG-NRFANRHFSA-N 1 0 400.542 3.452 50 0 HGAARO O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000012298954 558369045 /nfs/dbraw/zinc/36/90/45/558369045.db2.gz GIACVXPPYATNLV-UHFFFAOYSA-N 1 0 405.905 3.209 50 0 HGAARO Cn1cc(C[NH+]2CCC([C@H](O)c3cccnc3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012308139 558376487 /nfs/dbraw/zinc/37/64/87/558376487.db2.gz ZHGQKQQNXBEIMQ-DEOSSOPVSA-N 1 0 420.513 3.199 50 0 HGAARO Cc1ccc(N2C(=O)c3ccccc3/C(=C\NCCC[NH+]3CCOCC3)C2=O)c(C)c1 ZINC000020518826 558383491 /nfs/dbraw/zinc/38/34/91/558383491.db2.gz SVFIMMMFDKRZEG-OQKWZONESA-N 1 0 419.525 3.143 50 0 HGAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(C/C=C/c3ccco3)CC2)C1 ZINC000012432781 558406974 /nfs/dbraw/zinc/40/69/74/558406974.db2.gz JBSGARXCPPRYIW-BFSLETRISA-N 1 0 408.546 3.181 50 0 HGAARO Cc1cc(C)n2nc(C(=O)N(C)[C@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)cc2n1 ZINC000012438119 558409804 /nfs/dbraw/zinc/40/98/04/558409804.db2.gz GWRVKXZXQJHUBP-FQEVSTJZSA-N 1 0 403.530 3.050 50 0 HGAARO CC(C)Oc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000020782057 558412856 /nfs/dbraw/zinc/41/28/56/558412856.db2.gz CPPJXMWCXFGICL-QHCPKHFHSA-N 1 0 403.611 3.215 50 0 HGAARO Cc1nonc1CN(C)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012613309 558439157 /nfs/dbraw/zinc/43/91/57/558439157.db2.gz LICQFMRGUYLJRX-FQEVSTJZSA-N 1 0 402.539 3.014 50 0 HGAARO CCOc1ccc(C[NH+]2CCC(C(=O)N[C@H](C(=O)OC)c3ccccc3)CC2)cc1 ZINC000012628030 558440531 /nfs/dbraw/zinc/44/05/31/558440531.db2.gz JSQBIPBMDGVFBI-QFIPXVFZSA-N 1 0 410.514 3.328 50 0 HGAARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(C(=O)C3=CCCC3)CC2)CC1 ZINC000012713478 558453737 /nfs/dbraw/zinc/45/37/37/558453737.db2.gz MCKPDDCJMLGKIE-UHFFFAOYSA-N 1 0 409.574 3.159 50 0 HGAARO Cn1ncc2c1nc(N1CC[NH+](Cc3ccccc3)CC1)nc2NCc1ccccc1 ZINC000021929067 558455943 /nfs/dbraw/zinc/45/59/43/558455943.db2.gz FHUSATDKZQFXNY-UHFFFAOYSA-N 1 0 413.529 3.298 50 0 HGAARO O=C(NC1CC1)C1CC[NH+](C2CCN(C(=O)c3csc4c3CCCC4)CC2)CC1 ZINC000012719086 558456492 /nfs/dbraw/zinc/45/64/92/558456492.db2.gz LWXKTIWGEBNQJW-UHFFFAOYSA-N 1 0 415.603 3.222 50 0 HGAARO O=C(CC[NH+]1CCN(c2ccccc2O)CC1)Nc1ccc(Br)cc1F ZINC000022198010 558466346 /nfs/dbraw/zinc/46/63/46/558466346.db2.gz RAAHHJGYUHBKTF-UHFFFAOYSA-N 1 0 422.298 3.445 50 0 HGAARO O=C(CCNC(=O)NC1CCCCC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000023053360 558531935 /nfs/dbraw/zinc/53/19/35/558531935.db2.gz UBHPYGODINMBKT-UHFFFAOYSA-N 1 0 400.567 3.311 50 0 HGAARO Cc1ccccc1C[N@H+]1CCc2nnc([C@H](NC(=O)c3ccoc3)C(C)C)n2CC1 ZINC000023129450 558536949 /nfs/dbraw/zinc/53/69/49/558536949.db2.gz VYVORLDWTSMXCF-OAQYLSRUSA-N 1 0 407.518 3.365 50 0 HGAARO C[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(-c4ccccc4)cc3)cn2)CC1 ZINC000023318166 558548826 /nfs/dbraw/zinc/54/88/26/558548826.db2.gz HEIMRRVNRPIGRY-UHFFFAOYSA-N 1 0 400.526 3.359 50 0 HGAARO Cc1ccc(CN2CC[N@@H+](C3CCN(c4ccccc4F)CC3)C[C@@H]2CCO)o1 ZINC000023361094 558552262 /nfs/dbraw/zinc/55/22/62/558552262.db2.gz COQSQMNJMCDNFC-FQEVSTJZSA-N 1 0 401.526 3.265 50 0 HGAARO CCCn1nc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c2ccccc2c1=O ZINC000023554676 558562141 /nfs/dbraw/zinc/56/21/41/558562141.db2.gz VJQBEARVPCWGRE-GOSISDBHSA-N 1 0 410.543 3.435 50 0 HGAARO Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000024829328 558614231 /nfs/dbraw/zinc/61/42/31/558614231.db2.gz IZQCKDOZJNKCRW-HNNXBMFYSA-N 1 0 401.561 3.023 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccsc1 ZINC000026146417 558656299 /nfs/dbraw/zinc/65/62/99/558656299.db2.gz ONBNWLKWCNZLQX-HXUWFJFHSA-N 1 0 414.575 3.476 50 0 HGAARO CC(C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014531842 558656402 /nfs/dbraw/zinc/65/64/02/558656402.db2.gz GAACDRHQGJQFDW-UHFFFAOYSA-N 1 0 406.530 3.332 50 0 HGAARO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+]([C@H](C)COC)CC2 ZINC000014532782 558656783 /nfs/dbraw/zinc/65/67/83/558656783.db2.gz BYDBKGLAOFXLQF-GOSISDBHSA-N 1 0 409.530 3.493 50 0 HGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCc1ccc(OC)cc1)C2 ZINC000014543371 558661071 /nfs/dbraw/zinc/66/10/71/558661071.db2.gz GQOLSSFYPWQIOH-IBGZPJMESA-N 1 0 410.562 3.227 50 0 HGAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000014743871 558668039 /nfs/dbraw/zinc/66/80/39/558668039.db2.gz HWPJBMQFWQESNG-SFHVURJKSA-N 1 0 402.583 3.061 50 0 HGAARO CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C2CC[NH+](C(C)C)CC2)CC1=O ZINC000014744501 558668495 /nfs/dbraw/zinc/66/84/95/558668495.db2.gz SQNRRQJKQQEFQS-HSZRJFAPSA-N 1 0 419.585 3.384 50 0 HGAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([N@H+]1CC=C(c3ccccc3)CC1)C2 ZINC000014745309 558668771 /nfs/dbraw/zinc/66/87/71/558668771.db2.gz IWFRDAWXWLNPNV-OAQYLSRUSA-N 1 0 420.557 3.022 50 0 HGAARO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014746177 558669088 /nfs/dbraw/zinc/66/90/88/558669088.db2.gz AFMNXZGNNGJAPA-HXUWFJFHSA-N 1 0 418.541 3.383 50 0 HGAARO CN(C)C(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014747515 558669563 /nfs/dbraw/zinc/66/95/63/558669563.db2.gz HSGGNQZAWVXPQH-RTWAWAEBSA-N 1 0 421.541 3.046 50 0 HGAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014747547 558669738 /nfs/dbraw/zinc/66/97/38/558669738.db2.gz IVPZCNTZPHJLHV-UHFFFAOYSA-N 1 0 422.529 3.242 50 0 HGAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1cc(-c3ccccc3)on1)C2 ZINC000014747570 558669741 /nfs/dbraw/zinc/66/97/41/558669741.db2.gz WFHHWTUDNZRWKQ-SFHVURJKSA-N 1 0 419.529 3.441 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)CC2 ZINC000014753552 558671477 /nfs/dbraw/zinc/67/14/77/558671477.db2.gz SJDNVWWHTXBIHC-HNNXBMFYSA-N 1 0 414.456 3.211 50 0 HGAARO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000027498446 558673640 /nfs/dbraw/zinc/67/36/40/558673640.db2.gz PJWWVYFGFMHCKH-FGZHOGPDSA-N 1 0 422.529 3.152 50 0 HGAARO Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1 ZINC000027663593 558678996 /nfs/dbraw/zinc/67/89/96/558678996.db2.gz CJKASSTWKCDYRF-JOCHJYFZSA-N 1 0 415.965 3.441 50 0 HGAARO COc1ccc(CCN(C)C(=O)CC[N@H+]2Cc3ccccc3O[C@H](C)C2)cc1OC ZINC000014974853 558688740 /nfs/dbraw/zinc/68/87/40/558688740.db2.gz ICWGGEUJSCDXDT-GOSISDBHSA-N 1 0 412.530 3.378 50 0 HGAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2ccon2)C4)cc1 ZINC000014977866 558689898 /nfs/dbraw/zinc/68/98/98/558689898.db2.gz FRNJVYSHKWTOHU-MRXNPFEDSA-N 1 0 406.511 3.450 50 0 HGAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2ccon2)C4)cc1 ZINC000014977863 558689923 /nfs/dbraw/zinc/68/99/23/558689923.db2.gz FRNJVYSHKWTOHU-INIZCTEOSA-N 1 0 406.511 3.450 50 0 HGAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000015063761 558706442 /nfs/dbraw/zinc/70/64/42/558706442.db2.gz XZMHPGUWLUISGB-QFIPXVFZSA-N 1 0 405.502 3.441 50 0 HGAARO O[C@@H](COc1ccccc1CNCc1ccc(F)cc1F)C[NH+]1CCSCC1 ZINC000015067204 558710151 /nfs/dbraw/zinc/71/01/51/558710151.db2.gz GCICBRYAZVZGSU-LJQANCHMSA-N 1 0 408.514 3.043 50 0 HGAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@H](CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000015068846 558711388 /nfs/dbraw/zinc/71/13/88/558711388.db2.gz FBPKYUSUQRINTN-OAQYLSRUSA-N 1 0 410.562 3.340 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCc2cn[nH]c2)c1 ZINC000015070043 558712090 /nfs/dbraw/zinc/71/20/90/558712090.db2.gz KOSWPKUMCBAVFD-UHFFFAOYSA-N 1 0 412.534 3.177 50 0 HGAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]CCOc3cccnc3)CC2)cc1 ZINC000015070946 558712729 /nfs/dbraw/zinc/71/27/29/558712729.db2.gz IOSQYNZLFJJSOV-UHFFFAOYSA-N 1 0 408.546 3.391 50 0 HGAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015996803 558765799 /nfs/dbraw/zinc/76/57/99/558765799.db2.gz VLLJMMUWEYSLRX-QPXQOZNCSA-N 1 0 421.884 3.080 50 0 HGAARO Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]Cc4cccs4)cc3)cc2n(C)c1=O ZINC000016363950 558788432 /nfs/dbraw/zinc/78/84/32/558788432.db2.gz ZDBUJOAFFWJUFJ-QFIPXVFZSA-N 1 0 423.538 3.341 50 0 HGAARO Cc1c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000016606591 558796579 /nfs/dbraw/zinc/79/65/79/558796579.db2.gz VOOWMLWMWZTWPP-UHFFFAOYSA-N 1 0 404.514 3.335 50 0 HGAARO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2)s1 ZINC000033011041 558830357 /nfs/dbraw/zinc/83/03/57/558830357.db2.gz SOIUJTUWUZNORD-CQSZACIVSA-N 1 0 401.536 3.093 50 0 HGAARO CCOc1ccccc1N1C(=O)C[C@H]([NH2+]CCc2c[nH]c3ccc(OC)cc23)C1=O ZINC000018088213 558831005 /nfs/dbraw/zinc/83/10/05/558831005.db2.gz BRBRWHQVMVBDIO-IBGZPJMESA-N 1 0 407.470 3.039 50 0 HGAARO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC[N@H+]3CCC[C@H](C)C3)CC2)c(C)c1C ZINC000033024424 558841791 /nfs/dbraw/zinc/84/17/91/558841791.db2.gz DDSBLNGISZOLEP-KRWDZBQOSA-N 1 0 416.610 3.420 50 0 HGAARO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccccc3OCCO)C2)CC1 ZINC000019225637 558852533 /nfs/dbraw/zinc/85/25/33/558852533.db2.gz OACFHPBAJZERBO-HSZRJFAPSA-N 1 0 409.574 3.153 50 0 HGAARO CC[NH+](CC)CCCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031615 558854640 /nfs/dbraw/zinc/85/46/40/558854640.db2.gz FEKASYWQOBKRNG-UHFFFAOYSA-N 1 0 400.498 3.022 50 0 HGAARO CCn1nc(C)c(C[N@H+](CCOC)C[C@@]2(c3cccc(OC)c3)CCOC2)c1C ZINC000055042368 558870649 /nfs/dbraw/zinc/87/06/49/558870649.db2.gz DPDAEHXUHXSERT-QHCPKHFHSA-N 1 0 401.551 3.335 50 0 HGAARO COc1ccc([C@H](CN2CC[NH+](C)CC2)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000058182560 558910278 /nfs/dbraw/zinc/91/02/78/558910278.db2.gz SVYKKMVDIZSBGJ-GLOIGSRVSA-N 1 0 413.949 3.467 50 0 HGAARO Cc1nc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc(N2CCCC2)[nH+]1 ZINC000072139306 558928934 /nfs/dbraw/zinc/92/89/34/558928934.db2.gz GBDVJORIBOVLEX-UHFFFAOYSA-N 1 0 402.449 3.018 50 0 HGAARO C[N@H+](CCCNC(=O)c1nnc(C(=O)Nc2ccccc2)s1)Cc1ccccc1 ZINC000033061184 558954404 /nfs/dbraw/zinc/95/44/04/558954404.db2.gz QFCVPCOPXRUJDD-UHFFFAOYSA-N 1 0 409.515 3.042 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060340 558954678 /nfs/dbraw/zinc/95/46/78/558954678.db2.gz XKDLHIRGTASRBL-ZDUSSCGKSA-N 1 0 421.954 3.438 50 0 HGAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033060352 558954938 /nfs/dbraw/zinc/95/49/38/558954938.db2.gz GKHKXELTXKCWKV-CYBMUJFWSA-N 1 0 421.954 3.296 50 0 HGAARO O=C(NCC[NH+]1CCCC1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915177 558971692 /nfs/dbraw/zinc/97/16/92/558971692.db2.gz LPLCZMCTXCQBOP-UHFFFAOYSA-N 1 0 406.530 3.349 50 0 HGAARO Cc1nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc(N2CCCC2)[nH+]1 ZINC000065361961 558972466 /nfs/dbraw/zinc/97/24/66/558972466.db2.gz IEHBPKPROAKWET-UHFFFAOYSA-N 1 0 403.889 3.140 50 0 HGAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)[nH+]1 ZINC000065362052 558972848 /nfs/dbraw/zinc/97/28/48/558972848.db2.gz OIMULHFEUKEMPR-UHFFFAOYSA-N 1 0 401.461 3.016 50 0 HGAARO Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(N(C)C)[nH+]c(C)n2)CC1 ZINC000067613054 558989183 /nfs/dbraw/zinc/98/91/83/558989183.db2.gz QSGIIVOBBOTWFA-UHFFFAOYSA-N 1 0 422.558 3.245 50 0 HGAARO Cc1nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)cc(N2CCCCC2)[nH+]1 ZINC000067613975 558989398 /nfs/dbraw/zinc/98/93/98/558989398.db2.gz ZWFFUOMDJQUDQS-UHFFFAOYSA-N 1 0 401.461 3.016 50 0 HGAARO O=C(c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000077486920 559007142 /nfs/dbraw/zinc/00/71/42/559007142.db2.gz HJENVLVPVQDSFB-KDURUIRLSA-N 1 0 408.546 3.295 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000023106614 559010142 /nfs/dbraw/zinc/01/01/42/559010142.db2.gz VYXCVHSELHOVII-CYBMUJFWSA-N 1 0 401.410 3.004 50 0 HGAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000023127485 559015893 /nfs/dbraw/zinc/01/58/93/559015893.db2.gz RGCZQMCOCLLFLK-UHFFFAOYSA-N 1 0 409.408 3.265 50 0 HGAARO O=C(NCc1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082087900 559036929 /nfs/dbraw/zinc/03/69/29/559036929.db2.gz XMTVOBZSPRCXBN-OAQYLSRUSA-N 1 0 410.537 3.214 50 0 HGAARO Cc1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082087906 559037016 /nfs/dbraw/zinc/03/70/16/559037016.db2.gz MVXFUUDKCXSEBL-NRFANRHFSA-N 1 0 410.562 3.318 50 0 HGAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(c3ncccc3Cl)CC2)C1 ZINC000082125997 559039802 /nfs/dbraw/zinc/03/98/02/559039802.db2.gz NSCGFTQPUIVKJC-SFHVURJKSA-N 1 0 413.953 3.127 50 0 HGAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000082137091 559040272 /nfs/dbraw/zinc/04/02/72/559040272.db2.gz UGMWHQWFBDHFOS-OAQYLSRUSA-N 1 0 410.537 3.214 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NC[C@@H]2CCOC2)c1 ZINC000095497949 559081716 /nfs/dbraw/zinc/08/17/16/559081716.db2.gz YTTFOZLBALDURK-KRWDZBQOSA-N 1 0 402.535 3.247 50 0 HGAARO COc1ccnc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000095503077 559082771 /nfs/dbraw/zinc/08/27/71/559082771.db2.gz RLEAGLMLLKSEJS-OAQYLSRUSA-N 1 0 401.551 3.366 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)sc1C ZINC000011691875 559185451 /nfs/dbraw/zinc/18/54/51/559185451.db2.gz YYMRPVBDWHLUOB-OAHLLOKOSA-N 1 0 419.547 3.358 50 0 HGAARO C[NH+](C)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 ZINC000011694450 559188197 /nfs/dbraw/zinc/18/81/97/559188197.db2.gz SQJZHTRZJZJVTR-UHFFFAOYSA-N 1 0 400.429 3.021 50 0 HGAARO O=S(=O)(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000225573920 559189294 /nfs/dbraw/zinc/18/92/94/559189294.db2.gz KPDAXHPJXSDGOO-HNNXBMFYSA-N 1 0 408.511 3.201 50 0 HGAARO COc1ccc(NC(=O)CC[NH+]2CCN(C/C=C\c3ccccc3)CC2)c(OC)c1 ZINC000033421057 559190601 /nfs/dbraw/zinc/19/06/01/559190601.db2.gz XPZFRQSPGQZWCH-TWGQIWQCSA-N 1 0 409.530 3.363 50 0 HGAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000004949944 559214973 /nfs/dbraw/zinc/21/49/73/559214973.db2.gz VMCWRKDALFKBBK-SFHVURJKSA-N 1 0 407.470 3.389 50 0 HGAARO Cc1ccc2oc(=O)c3cnn(CC(=O)NCCC[N@@H+](C)Cc4ccccc4)c3c2c1 ZINC000004961746 559217810 /nfs/dbraw/zinc/21/78/10/559217810.db2.gz BPGACTXSUDYQGV-UHFFFAOYSA-N 1 0 418.497 3.089 50 0 HGAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000033712670 559233691 /nfs/dbraw/zinc/23/36/91/559233691.db2.gz WVCQVSWAKIRRIC-UGCAPWQASA-N 1 0 415.493 3.043 50 0 biogenic HGAARO CC[NH+](CC)CCNC(=O)c1c(=O)n(C)nc(-c2ccccc2)c1-c1ccccc1 ZINC000012016334 559271243 /nfs/dbraw/zinc/27/12/43/559271243.db2.gz OABDSJCJMAYTQC-UHFFFAOYSA-N 1 0 404.514 3.186 50 0 HGAARO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2c(C)cccc2C)C[N@H+](C)CC3)cc1 ZINC000062007123 560566317 /nfs/dbraw/zinc/56/63/17/560566317.db2.gz XPFMOXRGLGPCHX-UHFFFAOYSA-N 1 0 416.525 3.462 50 0 HGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[NH+]3CCCCCC3)c21 ZINC000005478060 560594944 /nfs/dbraw/zinc/59/49/44/560594944.db2.gz UGVZIHMOJURBBM-UHFFFAOYSA-N 1 0 401.507 3.487 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)[NH+]2CCCC2)cc1 ZINC000017911522 560730487 /nfs/dbraw/zinc/73/04/87/560730487.db2.gz KQLPXAYMEXBHPU-LJQANCHMSA-N 1 0 414.502 3.288 50 0 biogenic HGAARO Cc1nc(-c2ccccn2)sc1C(=O)NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000104889631 560855991 /nfs/dbraw/zinc/85/59/91/560855991.db2.gz QQXLUWPQQHABGD-FQEVSTJZSA-N 1 0 421.570 3.232 50 0 HGAARO COc1cccc(CN2CCC[C@]3(CC[N@@H+](C4CCSCC4)C3)C2=O)c1OC ZINC000012198924 560891993 /nfs/dbraw/zinc/89/19/93/560891993.db2.gz ZQCJYOTYHQORMV-JOCHJYFZSA-N 1 0 404.576 3.414 50 0 HGAARO COC(=O)c1c(NC(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)sc2c1CC[C@H](C)C2 ZINC000107583415 560896872 /nfs/dbraw/zinc/89/68/72/560896872.db2.gz KZAWAGDFWRAJQK-HOTGVXAUSA-N 1 0 419.591 3.016 50 0 HGAARO CC(C)CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000048289563 568434987 /nfs/dbraw/zinc/43/49/87/568434987.db2.gz VVQLPMWCDDBMBL-GOSISDBHSA-N 1 0 424.570 3.407 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)cc1 ZINC000048342562 568440542 /nfs/dbraw/zinc/44/05/42/568440542.db2.gz UVDNOQQVCBYOIV-UHFFFAOYSA-N 1 0 423.623 3.301 50 0 HGAARO COc1ccc(S(=O)(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1Cl ZINC000021696223 568466982 /nfs/dbraw/zinc/46/69/82/568466982.db2.gz ZBMCSVKVDWAAEL-LJQANCHMSA-N 1 0 421.950 3.422 50 0 HGAARO Cc1cc(=O)c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)nn1-c1ccccc1 ZINC000007941485 568486729 /nfs/dbraw/zinc/48/67/29/568486729.db2.gz DEBQRTMICGWOPR-UHFFFAOYSA-N 1 0 416.525 3.457 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000008230503 568494613 /nfs/dbraw/zinc/49/46/13/568494613.db2.gz FEAMZJKALXCEPB-YAOQVBECSA-N 1 0 405.542 3.358 50 0 HGAARO CC[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)n1c2ccccc2c2cn[nH]c(=O)c21 ZINC000020416480 568606128 /nfs/dbraw/zinc/60/61/28/568606128.db2.gz RYUKCKMMZBZOQH-QKLQHJQFSA-N 1 0 423.561 3.313 50 0 HGAARO CC(C)c1ccc(-c2noc(CCC(=O)NCCCC[N@@H+]3CCC[C@H]3CO)n2)cc1 ZINC000095447916 568612347 /nfs/dbraw/zinc/61/23/47/568612347.db2.gz IQUFVPOPSDAEKJ-FQEVSTJZSA-N 1 0 414.550 3.146 50 0 HGAARO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccn(-c2cccc(F)c2)n1 ZINC000095460110 568619988 /nfs/dbraw/zinc/61/99/88/568619988.db2.gz VIOQZSPTSMUXTD-UHFFFAOYSA-N 1 0 422.504 3.459 50 0 HGAARO Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000095462009 568621300 /nfs/dbraw/zinc/62/13/00/568621300.db2.gz CTUDSMFXYRHWAV-UHFFFAOYSA-N 1 0 408.951 3.084 50 0 HGAARO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000095466738 568624252 /nfs/dbraw/zinc/62/42/52/568624252.db2.gz PAWAALZOHNBUFM-INIZCTEOSA-N 1 0 404.514 3.151 50 0 HGAARO Cc1c(Cl)cccc1NC(=S)N1CCC([N@H+](C)CCN2CCOCC2)CC1 ZINC000020733904 568641083 /nfs/dbraw/zinc/64/10/83/568641083.db2.gz LNSZWYNSEWBYLH-UHFFFAOYSA-N 1 0 411.015 3.074 50 0 HGAARO CCNC(=O)COc1ccc(CNc2cccc(CC[NH+]3CCCC3)c2)cc1OC ZINC000225535723 568648498 /nfs/dbraw/zinc/64/84/98/568648498.db2.gz ANNLTMFKUQGXAD-UHFFFAOYSA-N 1 0 411.546 3.461 50 0 HGAARO Cc1cc(C)n(Cc2c(C)onc2C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)n1 ZINC000020994059 568656312 /nfs/dbraw/zinc/65/63/12/568656312.db2.gz CLGDMKSBVPGQIG-OAQYLSRUSA-N 1 0 421.545 3.405 50 0 HGAARO CCCC[NH+]1CCC(NS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)CC1 ZINC000225659544 568661161 /nfs/dbraw/zinc/66/11/61/568661161.db2.gz ANYXUVWZVQUMSF-UHFFFAOYSA-N 1 0 414.531 3.433 50 0 HGAARO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc4c(c3)N(C)CCO4)CC2)cc1 ZINC000225705394 568666360 /nfs/dbraw/zinc/66/63/60/568666360.db2.gz VRPMAGGRLFYFEC-UHFFFAOYSA-N 1 0 409.530 3.166 50 0 HGAARO CC(C)C(=O)Nc1cccc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000095975224 568672413 /nfs/dbraw/zinc/67/24/13/568672413.db2.gz LDNKKWUOHKUKQX-WCRBZPEASA-N 1 0 413.566 3.056 50 0 HGAARO CCC[C@H]1CN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC[N@@H+]1CCOC ZINC000095993276 568678149 /nfs/dbraw/zinc/67/81/49/568678149.db2.gz VMOHIQYDZLSLFW-RTWAWAEBSA-N 1 0 416.610 3.453 50 0 HGAARO O=C(NC1CC1)c1cc(N2CC[NH+](CCOc3ccccc3)CC2)nc2ccccc21 ZINC000096009739 568683686 /nfs/dbraw/zinc/68/36/86/568683686.db2.gz XKXGBFYTJRNAIP-UHFFFAOYSA-N 1 0 416.525 3.328 50 0 HGAARO CCC[NH+]1CCN(c2nnc(-n3cccc3C(=O)NCc3ccc(C)cc3)s2)CC1 ZINC000021535381 568711861 /nfs/dbraw/zinc/71/18/61/568711861.db2.gz HKBBJKFZKIKFFB-UHFFFAOYSA-N 1 0 424.574 3.099 50 0 HGAARO CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)c1C ZINC000229757246 568715200 /nfs/dbraw/zinc/71/52/00/568715200.db2.gz NGKRZSJVLWQIOY-UXHICEINSA-N 1 0 411.506 3.106 50 0 HGAARO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000229990630 568716611 /nfs/dbraw/zinc/71/66/11/568716611.db2.gz ZQZFAMGYCSJFQO-FXAWDEMLSA-N 1 0 405.564 3.064 50 0 HGAARO CC(C)[C@@H]([NH2+]CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000021584312 568720077 /nfs/dbraw/zinc/72/00/77/568720077.db2.gz VYPVGPUBAVECHM-RBBKRZOGSA-N 1 0 406.592 3.324 50 0 HGAARO C/C=C/c1ccc(OC[C@H](O)C[NH2+]C[C@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 ZINC000096311028 568724729 /nfs/dbraw/zinc/72/47/29/568724729.db2.gz YSQGJSKNXKXPMX-GHEJJDCBSA-N 1 0 414.546 3.369 50 0 HGAARO CC(C)C[NH+]1CCN(C(=O)c2ccc3c(c2)CC(=O)N3Cc2cccc(F)c2)CC1 ZINC000096386279 568742612 /nfs/dbraw/zinc/74/26/12/568742612.db2.gz LLTBBZOVAMXLCN-UHFFFAOYSA-N 1 0 409.505 3.329 50 0 HGAARO Cc1ccc(-n2c(CC(=O)NCCC[NH+]3CCCCC3)c3[nH]cccc-3c2=O)cc1 ZINC000096386972 568743750 /nfs/dbraw/zinc/74/37/50/568743750.db2.gz IUIVRDXAOIPRDE-OAQYLSRUSA-N 1 0 406.530 3.474 50 0 HGAARO CCOC(=O)C1=C(C[NH2+][C@H](C)CCc2ccccc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000085993825 568745108 /nfs/dbraw/zinc/74/51/08/568745108.db2.gz SLDFDPJKNPNUES-VGOFRKELSA-N 1 0 407.514 3.469 50 0 HGAARO COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OCC[NH+](C)C)c2n1 ZINC000021788871 568752844 /nfs/dbraw/zinc/75/28/44/568752844.db2.gz AJYKKOATNQNCJV-UHFFFAOYSA-N 1 0 408.380 3.142 50 0 HGAARO COc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000022573391 568769837 /nfs/dbraw/zinc/76/98/37/568769837.db2.gz YONNLLULYFWHBW-GOSISDBHSA-N 1 0 410.436 3.276 50 0 HGAARO CC1(C)Cc2cccc(OCC(=O)NCC3CC[NH+]([C@H]4CCSC4)CC3)c2O1 ZINC000225571263 568774460 /nfs/dbraw/zinc/77/44/60/568774460.db2.gz IKNDGAMZNWLFKI-SFHVURJKSA-N 1 0 404.576 3.113 50 0 HGAARO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000002636160 568792262 /nfs/dbraw/zinc/79/22/62/568792262.db2.gz HDXHCRZOCKMKHP-OAHLLOKOSA-N 1 0 406.479 3.438 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccsc1 ZINC000029414871 568825265 /nfs/dbraw/zinc/82/52/65/568825265.db2.gz KHAHNCXLUMJNHS-LJQANCHMSA-N 1 0 421.588 3.002 50 0 HGAARO O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000029720936 568828704 /nfs/dbraw/zinc/82/87/04/568828704.db2.gz XVNAMGARFLIKFR-UHFFFAOYSA-N 1 0 407.514 3.252 50 0 HGAARO CC(C)C[NH+](CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)CC(C)C ZINC000003005997 568837300 /nfs/dbraw/zinc/83/73/00/568837300.db2.gz AGSZFTHHWFOBQX-UHFFFAOYSA-N 1 0 418.969 3.294 50 0 HGAARO C[C@@H]1C[NH+](CCCNC(=O)N(C)Cc2csc(Br)c2)C[C@@H](C)O1 ZINC000057481382 568841477 /nfs/dbraw/zinc/84/14/77/568841477.db2.gz UUCDHYIKTKUAKP-CHWSQXEVSA-N 1 0 404.374 3.151 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(CN4CCCC4=O)c3)cc2)CC1 ZINC000012534255 568844918 /nfs/dbraw/zinc/84/49/18/568844918.db2.gz RRHGCVRHWUDINO-UHFFFAOYSA-N 1 0 406.530 3.203 50 0 HGAARO Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000012553737 568854771 /nfs/dbraw/zinc/85/47/71/568854771.db2.gz XQNKNNMZVOOHRJ-HXUWFJFHSA-N 1 0 421.570 3.496 50 0 HGAARO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)n(C)n2)c(OC)c1 ZINC000230203444 568854961 /nfs/dbraw/zinc/85/49/61/568854961.db2.gz MQBBIEKHQOAWIV-JXFKEZNVSA-N 1 0 412.534 3.099 50 0 biogenic HGAARO Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000030361160 568862024 /nfs/dbraw/zinc/86/20/24/568862024.db2.gz UNGWYQCNYKIZBI-UHFFFAOYSA-N 1 0 423.529 3.154 50 0 HGAARO Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)C3CC[NH+](C)CC3)c2)c1 ZINC000003256374 568868517 /nfs/dbraw/zinc/86/85/17/568868517.db2.gz RSMVJYIYRGMWQP-UHFFFAOYSA-N 1 0 415.559 3.270 50 0 HGAARO Cc1cc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nc2ccccc12 ZINC000299759252 568873076 /nfs/dbraw/zinc/87/30/76/568873076.db2.gz DHBJSMDYAZYKKZ-NRFANRHFSA-N 1 0 422.573 3.305 50 0 HGAARO COc1ccccc1[C@H](CNC(=S)NCc1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000003418079 568899232 /nfs/dbraw/zinc/89/92/32/568899232.db2.gz UMKUBUNQHQMFOK-SFHVURJKSA-N 1 0 413.543 3.225 50 0 HGAARO CCC(CC)[C@H](CNC(=O)CCCNC(=O)c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000030941379 568904698 /nfs/dbraw/zinc/90/46/98/568904698.db2.gz IFVBNKNTAJHNQH-FQEVSTJZSA-N 1 0 423.985 3.103 50 0 HGAARO O=C1NC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)n2nc(-c3ccc(F)cc3)cc21 ZINC000263616699 568911067 /nfs/dbraw/zinc/91/10/67/568911067.db2.gz KCGRJXXSYBAJSK-HSZRJFAPSA-N 1 0 419.504 3.185 50 0 HGAARO O=C(NCCCc1nc2cc(Cl)ccc2[nH]1)C1CC[NH+](C2CCOCC2)CC1 ZINC000670451838 568926519 /nfs/dbraw/zinc/92/65/19/568926519.db2.gz AYPVMFJMTDRFDT-UHFFFAOYSA-N 1 0 404.942 3.156 50 0 HGAARO COc1ccccc1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000012749287 568936683 /nfs/dbraw/zinc/93/66/83/568936683.db2.gz ZWCGPYIWTPUYTI-SFHVURJKSA-N 1 0 421.419 3.433 50 0 HGAARO COc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)[NH+]2CCCC2)cc1 ZINC000012754315 568942360 /nfs/dbraw/zinc/94/23/60/568942360.db2.gz UBOBNMYEBPJCJE-NZQKXSOJSA-N 1 0 421.541 3.310 50 0 HGAARO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012764621 568947569 /nfs/dbraw/zinc/94/75/69/568947569.db2.gz WESLBIICXGVVAX-MRXNPFEDSA-N 1 0 413.493 3.229 50 0 HGAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C(C)C)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)c1 ZINC000229659110 568952867 /nfs/dbraw/zinc/95/28/67/568952867.db2.gz GDXJQZFJTRLPIA-KDLAUNOPSA-N 1 0 423.513 3.432 50 0 HGAARO O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000007986420 568964650 /nfs/dbraw/zinc/96/46/50/568964650.db2.gz QRFFATURWFKMEQ-GOSISDBHSA-N 1 0 410.543 3.261 50 0 HGAARO CC1CC[NH+]([C@H](CNC(=O)Cn2cnc3ccccc3c2=O)c2cccs2)CC1 ZINC000008272682 568986664 /nfs/dbraw/zinc/98/66/64/568986664.db2.gz SQUQAVVIJSDMML-LJQANCHMSA-N 1 0 410.543 3.047 50 0 HGAARO COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000008373799 568995726 /nfs/dbraw/zinc/99/57/26/568995726.db2.gz JYEDRFSXAQGXPL-HXUWFJFHSA-N 1 0 408.454 3.004 50 0 HGAARO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1ccc2c(c1)OCCO2 ZINC000008403797 569001049 /nfs/dbraw/zinc/00/10/49/569001049.db2.gz KLDIRPHJZRUCIT-GFCCVEGCSA-N 1 0 416.275 3.079 50 0 HGAARO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)NCCc1c[nH]c2ccccc12 ZINC000008429214 569002679 /nfs/dbraw/zinc/00/26/79/569002679.db2.gz KPLILUYWPWUXFX-UHFFFAOYSA-N 1 0 404.514 3.177 50 0 HGAARO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1CCO ZINC000104508750 569008957 /nfs/dbraw/zinc/00/89/57/569008957.db2.gz BVFBHTWIIPUHAN-XMMPIXPASA-N 1 0 420.557 3.340 50 0 HGAARO COc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)n(C)n2)cc1 ZINC000035276893 569016771 /nfs/dbraw/zinc/01/67/71/569016771.db2.gz DNBUEXMFYCZAMW-UHFFFAOYSA-N 1 0 404.514 3.490 50 0 HGAARO O=C(Cc1csc(NC(=O)c2ccccc2)n1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012909075 569021705 /nfs/dbraw/zinc/02/17/05/569021705.db2.gz CGVWRZIYFQLRCT-IBGZPJMESA-N 1 0 420.538 3.329 50 0 HGAARO Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000012920852 569023189 /nfs/dbraw/zinc/02/31/89/569023189.db2.gz VTGQVEDDACNYHK-SFHVURJKSA-N 1 0 413.522 3.100 50 0 HGAARO Cc1cccc(-c2cc(N3CCC(C(=O)NCC[NH+]4CCCCC4)CC3)ncn2)c1 ZINC000035401119 569035460 /nfs/dbraw/zinc/03/54/60/569035460.db2.gz QOXZBLQCYVWZKE-UHFFFAOYSA-N 1 0 407.562 3.271 50 0 HGAARO Cc1ccc2[nH]c3c(ncn(CCC(=O)N4CC[NH+](C5CCCCC5)CC4)c3=O)c2c1 ZINC000035423987 569036407 /nfs/dbraw/zinc/03/64/07/569036407.db2.gz KMOZHDISLKKODK-UHFFFAOYSA-N 1 0 421.545 3.053 50 0 HGAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H](c1ccc2c(c1)CCO2)[NH+](C)C ZINC000090607249 569041960 /nfs/dbraw/zinc/04/19/60/569041960.db2.gz FGQWPKMRLPRDHO-OAQYLSRUSA-N 1 0 408.477 3.194 50 0 HGAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCO2)[NH+](C)C ZINC000090607248 569041967 /nfs/dbraw/zinc/04/19/67/569041967.db2.gz FGQWPKMRLPRDHO-NRFANRHFSA-N 1 0 408.477 3.194 50 0 HGAARO C[C@@H](C(=O)NCCC[NH+]1CCCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035561939 569045079 /nfs/dbraw/zinc/04/50/79/569045079.db2.gz XTVYKLHCPWMHGL-GOSISDBHSA-N 1 0 410.562 3.258 50 0 HGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccsc2)n[nH]1 ZINC000409413123 569051502 /nfs/dbraw/zinc/05/15/02/569051502.db2.gz DBXANTGRDZMASA-OXJNMPFZSA-N 1 0 402.564 3.491 50 0 biogenic HGAARO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000524729187 569051590 /nfs/dbraw/zinc/05/15/90/569051590.db2.gz HTPVQVKQOCXWBD-UHFFFAOYSA-N 1 0 422.481 3.463 50 0 biogenic HGAARO C[N@@H+]1CCN(c2nc3nonc3nc2NCc2cccs2)C[C@H]1c1ccccc1 ZINC000244811606 569055205 /nfs/dbraw/zinc/05/52/05/569055205.db2.gz SHQWERWRLIPDQT-INIZCTEOSA-N 1 0 407.503 3.180 50 0 HGAARO Cc1ccc(-c2cc(C(=O)N(CCC(=O)NCC[NH+](C)C)CC(C)C)no2)cc1C ZINC000036001661 569075223 /nfs/dbraw/zinc/07/52/23/569075223.db2.gz KQSFDXOZSQYMAH-UHFFFAOYSA-N 1 0 414.550 3.125 50 0 HGAARO COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCC(C)C)cc1 ZINC000036102324 569091806 /nfs/dbraw/zinc/09/18/06/569091806.db2.gz DWBZVXQFUKHYOD-FQEVSTJZSA-N 1 0 401.503 3.460 50 0 HGAARO CCNc1nc(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3C)CC2)cc(C)[nH+]1 ZINC000064800690 569097462 /nfs/dbraw/zinc/09/74/62/569097462.db2.gz FYWRSCFMLDEXSB-UHFFFAOYSA-N 1 0 417.579 3.160 50 0 HGAARO COC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146663 569098785 /nfs/dbraw/zinc/09/87/85/569098785.db2.gz RDOBANNLIZKTNV-ROUUACIJSA-N 1 0 406.885 3.482 50 0 HGAARO CC[C@H](C)[C@H]([NH2+]C[C@H](O)COCC(C)C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000036154987 569100917 /nfs/dbraw/zinc/10/09/17/569100917.db2.gz IGQLYGXVUANRAH-QOKNQOGYSA-N 1 0 405.495 3.176 50 0 HGAARO COc1cccc(C[N@H+]2CC=C(C(=O)N3CCN(c4ccc(C)cc4)CC3)CC2)c1 ZINC000064818010 569101137 /nfs/dbraw/zinc/10/11/37/569101137.db2.gz UGNHKCZRGHPMFU-UHFFFAOYSA-N 1 0 405.542 3.485 50 0 HGAARO COc1cccc(C[N@H+]2CC=C(C(=O)N3CCN(c4ccccc4C)CC3)CC2)c1 ZINC000064818009 569101198 /nfs/dbraw/zinc/10/11/98/569101198.db2.gz AZGZYCBDGGPZIN-UHFFFAOYSA-N 1 0 405.542 3.485 50 0 HGAARO Cc1nn([C@H](C)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c(=O)c2c3ccccc3sc21 ZINC000006799191 569126250 /nfs/dbraw/zinc/12/62/50/569126250.db2.gz PAAARZPLPHHPHR-GOEBONIOSA-N 1 0 412.559 3.471 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000036341270 569141777 /nfs/dbraw/zinc/14/17/77/569141777.db2.gz FUFGMBYVPVITEY-JOCHJYFZSA-N 1 0 412.484 3.280 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000036341199 569141834 /nfs/dbraw/zinc/14/18/34/569141834.db2.gz VOOGTHYJTWQUAO-HSZRJFAPSA-N 1 0 424.520 3.150 50 0 HGAARO COC(=O)c1ccc(-c2ccco2)n1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006871050 569161999 /nfs/dbraw/zinc/16/19/99/569161999.db2.gz NDLKXVZVGAZDBT-UHFFFAOYSA-N 1 0 421.497 3.316 50 0 HGAARO CCCC1N=NC(=S)N1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000036391248 569166292 /nfs/dbraw/zinc/16/62/92/569166292.db2.gz CAWLQCNYQPQYCC-INIZCTEOSA-N 1 0 401.580 3.068 50 0 HGAARO CCCC1N=NC(=S)N1CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000036391233 569166339 /nfs/dbraw/zinc/16/63/39/569166339.db2.gz ZXHXPRMVNNJXNM-UHFFFAOYSA-N 1 0 401.580 3.068 50 0 HGAARO O=C(NCC[NH+]1CCCC1)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065102676 569178628 /nfs/dbraw/zinc/17/86/28/569178628.db2.gz PMDNTLYBBIPZHI-UHFFFAOYSA-N 1 0 411.575 3.056 50 0 HGAARO Cc1ccc(-c2nnc(N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)o2)cc1 ZINC000065229616 569200506 /nfs/dbraw/zinc/20/05/06/569200506.db2.gz NHORCZGJKBRTSE-UHFFFAOYSA-N 1 0 411.550 3.254 50 0 HGAARO CCCC[NH+]1CCN(C(=O)C2CCN(c3nnc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000065229587 569200548 /nfs/dbraw/zinc/20/05/48/569200548.db2.gz VSJXPEUKFZFCMF-UHFFFAOYSA-N 1 0 411.550 3.206 50 0 HGAARO O=C(Nc1ccc2c(c1)OCCO2)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256221 569208254 /nfs/dbraw/zinc/20/82/54/569208254.db2.gz SAWLSLMWLQCYRC-FQEVSTJZSA-N 1 0 416.481 3.256 50 0 HGAARO COc1ccccc1CNC(=O)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256220 569208277 /nfs/dbraw/zinc/20/82/77/569208277.db2.gz AZMCXODAGDHFOG-OAQYLSRUSA-N 1 0 402.498 3.171 50 0 HGAARO CC1CC[NH+](CCCNC(=O)[C@@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000065272962 569216006 /nfs/dbraw/zinc/21/60/06/569216006.db2.gz JFDMEMATRYOBNZ-GOSISDBHSA-N 1 0 417.619 3.327 50 0 HGAARO Cc1scc2nc(C(=O)NCCC[NH+]3CCCCC3)nc(N3CCSCC3)c12 ZINC000065283430 569216440 /nfs/dbraw/zinc/21/64/40/569216440.db2.gz ONFNFRMGZPKTBF-UHFFFAOYSA-N 1 0 419.620 3.159 50 0 HGAARO COc1nn(C)cc1C(=O)N(CCC[NH+](C)C)c1nc2ccc(Cl)cc2s1 ZINC000036645187 569216991 /nfs/dbraw/zinc/21/69/91/569216991.db2.gz YVDYWMHYWFSOND-UHFFFAOYSA-N 1 0 407.927 3.290 50 0 HGAARO COC(=O)c1c(C[NH+]2CCC(C(N)=O)CC2)nc2ccccc2c1-c1ccccc1 ZINC000007459215 569239766 /nfs/dbraw/zinc/23/97/66/569239766.db2.gz MVPAXQHFDCQBRQ-UHFFFAOYSA-N 1 0 403.482 3.386 50 0 HGAARO CC(C)(Oc1ccc(F)cc1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000170613591 569246896 /nfs/dbraw/zinc/24/68/96/569246896.db2.gz FGRKZRPEVAULRU-NRFANRHFSA-N 1 0 400.494 3.390 50 0 HGAARO CC[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000071186526 569251181 /nfs/dbraw/zinc/25/11/81/569251181.db2.gz WNNKPUSZNGWBKQ-HNNXBMFYSA-N 1 0 409.372 3.059 50 0 HGAARO CC(=O)c1ccc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)cc1 ZINC000013579123 569256314 /nfs/dbraw/zinc/25/63/14/569256314.db2.gz XAXDLJIFJBRYKP-LJQANCHMSA-N 1 0 420.498 3.015 50 0 HGAARO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000089644372 569261548 /nfs/dbraw/zinc/26/15/48/569261548.db2.gz NOAGDOSHXCECPG-UHFFFAOYSA-N 1 0 407.580 3.373 50 0 HGAARO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000089768233 569263657 /nfs/dbraw/zinc/26/36/57/569263657.db2.gz HGLHRJRYZNSWIB-INIZCTEOSA-N 1 0 400.748 3.017 50 0 HGAARO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2cc(C)nn2-c2ccccc2)cc1 ZINC000089968997 569270459 /nfs/dbraw/zinc/27/04/59/569270459.db2.gz NHQFWTUDCVZJLM-UHFFFAOYSA-N 1 0 419.529 3.277 50 0 HGAARO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](C[C@H]4CCCCO4)CC3)CC2)n1 ZINC000252490646 569289620 /nfs/dbraw/zinc/28/96/20/569289620.db2.gz KYKQZGWIVCJMIX-GOSISDBHSA-N 1 0 412.500 3.256 50 0 HGAARO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)n(C)n2)cc1OC ZINC000252569035 569294310 /nfs/dbraw/zinc/29/43/10/569294310.db2.gz VUVUAKGBDKCXAB-HKUYNNGSSA-N 1 0 412.534 3.099 50 0 HGAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819745 569320738 /nfs/dbraw/zinc/32/07/38/569320738.db2.gz HNFYDLPIMNZPEP-QFIPXVFZSA-N 1 0 420.642 3.316 50 0 HGAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)C4CCCCC4)CC3)C2)CC1 ZINC000581820220 569321166 /nfs/dbraw/zinc/32/11/66/569321166.db2.gz YRYGBGZIWBKZAT-JOCHJYFZSA-N 1 0 405.627 3.381 50 0 HGAARO CCc1ccc(C(=O)N2CCN(CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000253419105 569367729 /nfs/dbraw/zinc/36/77/29/569367729.db2.gz WBNJVPFLSZLGEW-UHFFFAOYSA-N 1 0 420.601 3.219 50 0 HGAARO COc1ccccc1[C@H](CNC(=O)CNC(=O)c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000027571598 569374681 /nfs/dbraw/zinc/37/46/81/569374681.db2.gz MSUPUOPNHCGEOJ-IBGZPJMESA-N 1 0 415.921 3.032 50 0 HGAARO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000013145613 569409984 /nfs/dbraw/zinc/40/99/84/569409984.db2.gz HPVICPOFRQRDQQ-DEOSSOPVSA-N 1 0 410.558 3.202 50 0 HGAARO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000078950279 569422017 /nfs/dbraw/zinc/42/20/17/569422017.db2.gz RCMRYSJGVGIADW-RTBURBONSA-N 1 0 401.551 3.387 50 0 HGAARO CC(=O)Nc1cc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C ZINC000079022390 569424494 /nfs/dbraw/zinc/42/44/94/569424494.db2.gz NHCJYOOQAJHWBR-HDICACEKSA-N 1 0 401.551 3.305 50 0 HGAARO Cc1cc(C)cc(OC[C@H](O)CC[NH2+]CC[C@@H](O)COc2cc(C)cc(C)c2)c1 ZINC000263619717 571043514 /nfs/dbraw/zinc/04/35/14/571043514.db2.gz FMWYYFDDWMGCIC-FGZHOGPDSA-N 1 0 401.547 3.470 50 0 HGAARO COc1ccc(CNC(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)cc1 ZINC000039229650 571121903 /nfs/dbraw/zinc/12/19/03/571121903.db2.gz NYJFZSWXSLEJAR-QFIPXVFZSA-N 1 0 402.498 3.171 50 0 HGAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CCCN(c2cnccn2)C1 ZINC000040063319 571147960 /nfs/dbraw/zinc/14/79/60/571147960.db2.gz LZLJJZFGRVTUKL-FXAWDEMLSA-N 1 0 413.953 3.300 50 0 HGAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)Cc2ccc(Br)cc2)CC1 ZINC000040089776 571159792 /nfs/dbraw/zinc/15/97/92/571159792.db2.gz GPRPPTOKLFHYDT-UHFFFAOYSA-N 1 0 416.363 3.055 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000040112330 571170617 /nfs/dbraw/zinc/17/06/17/571170617.db2.gz KZDQYZPXIFGDPV-GOSISDBHSA-N 1 0 419.525 3.364 50 0 HGAARO CC[NH+](CC)CCOc1ccc(CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OC ZINC000040151669 571199617 /nfs/dbraw/zinc/19/96/17/571199617.db2.gz BMCUYSHZCMSHNN-UHFFFAOYSA-N 1 0 415.534 3.493 50 0 HGAARO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000009586116 571271378 /nfs/dbraw/zinc/27/13/78/571271378.db2.gz GIXTZJVJDBKLAQ-UHFFFAOYSA-N 1 0 411.550 3.253 50 0 HGAARO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)s1 ZINC000070922281 571281979 /nfs/dbraw/zinc/28/19/79/571281979.db2.gz JJHPHRGZESOPMR-UHFFFAOYSA-N 1 0 416.366 3.101 50 0 HGAARO CCOc1cc(C(=O)Nc2nc3ccccc3n2CC[NH+](CC)CC)ccc1OC ZINC000036648976 571308952 /nfs/dbraw/zinc/30/89/52/571308952.db2.gz DIVZFURLXKHBOX-UHFFFAOYSA-N 1 0 410.518 4.038 50 0 HGAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000077104299 571311695 /nfs/dbraw/zinc/31/16/95/571311695.db2.gz HBXMHEQBFIOYPL-UHFFFAOYSA-N 1 0 409.914 3.475 50 0 HGAARO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[N@@H+](C[C@@H](C)O)C3CCCCC3)nc(=O)c12 ZINC000036207444 571317252 /nfs/dbraw/zinc/31/72/52/571317252.db2.gz UHFGGSAJTUXJRS-CYBMUJFWSA-N 1 0 421.563 3.374 50 0 HGAARO CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000002869455 132258840 /nfs/dbraw/zinc/25/88/40/132258840.db2.gz OETXCJCXMVXWBQ-UHFFFAOYSA-N 1 0 412.559 3.354 50 0 HGAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@@H]3COc4ccccc4C3)CC2)c1 ZINC000008610347 132331564 /nfs/dbraw/zinc/33/15/64/132331564.db2.gz JPDZDJCKNNVWCI-QFIPXVFZSA-N 1 0 407.558 3.183 50 0 HGAARO O=C(CN1C(=O)CSc2ccccc21)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000008984721 132334504 /nfs/dbraw/zinc/33/45/04/132334504.db2.gz MSOPLARFZZLQHH-UHFFFAOYSA-N 1 0 401.576 3.430 50 0 HGAARO CN(C(=O)c1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000012315197 132358386 /nfs/dbraw/zinc/35/83/86/132358386.db2.gz MBWFXURBBNPPHU-HSZRJFAPSA-N 1 0 424.564 3.314 50 0 HGAARO CSc1ncc(CN2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cn1 ZINC000022914587 132476561 /nfs/dbraw/zinc/47/65/61/132476561.db2.gz GMCVWBJCZHWAIC-FQEVSTJZSA-N 1 0 401.555 3.124 50 0 HGAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@H]3CCCN(c4nccc(C)n4)C3)CC2)c1 ZINC000035454346 132802013 /nfs/dbraw/zinc/80/20/13/132802013.db2.gz NEEXXOUGPHGDFK-QHCPKHFHSA-N 1 0 421.589 3.338 50 0 HGAARO CCCSc1nn(CC[NH+](C)C)c2nc3sc4c(c3c(=O)n12)CCCCC4 ZINC000040286625 520570139 /nfs/dbraw/zinc/57/01/39/520570139.db2.gz DQEXACOYPKJXND-UHFFFAOYSA-N 1 0 405.593 3.438 50 0 HGAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](C[C@H](O)COC)C[C@H]1CCCO1 ZINC000036245899 520937334 /nfs/dbraw/zinc/93/73/34/520937334.db2.gz DQQDVKPTKXHOGV-VQTJNVASSA-N 1 0 417.550 3.176 50 0 HGAARO C[NH+](C)CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(N3CCCCC3)cc1)C2=O ZINC000030835931 521790527 /nfs/dbraw/zinc/79/05/27/521790527.db2.gz XCNWWDDLTBKEQN-UHFFFAOYSA-N 1 0 421.497 3.196 50 0 HGAARO C[NH+](C)[C@@H]1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)C1 ZINC000040355836 522053419 /nfs/dbraw/zinc/05/34/19/522053419.db2.gz HIDHRXDBGJTXJP-LLVKDONJSA-N 1 0 413.330 3.478 50 0 HGAARO C[NH+](C)[C@H]1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)C1 ZINC000040355837 522102878 /nfs/dbraw/zinc/10/28/78/522102878.db2.gz HIDHRXDBGJTXJP-NSHDSACASA-N 1 0 413.330 3.478 50 0 HGAARO C[C@H]1C[NH+](CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC000032755418 524591279 /nfs/dbraw/zinc/59/12/79/524591279.db2.gz FOZSRWAARUVPNY-IRXDYDNUSA-N 1 0 405.539 3.192 50 0 HGAARO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(=O)n(-c2ccccc2)n1C ZINC000032870764 525834192 /nfs/dbraw/zinc/83/41/92/525834192.db2.gz ZHSFTMGSWJQYTF-OAHLLOKOSA-N 1 0 410.440 3.087 50 0 HGAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccc(O)c4)C3)C2=O)c1OC ZINC000072473230 525939421 /nfs/dbraw/zinc/93/94/21/525939421.db2.gz ZGHNUVHHEDNXMJ-DEOSSOPVSA-N 1 0 410.514 3.424 50 0 HGAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1ncc2ccccc2c1=O ZINC000032930759 526251915 /nfs/dbraw/zinc/25/19/15/526251915.db2.gz VSDPFXCDPOVPLZ-SFHVURJKSA-N 1 0 404.514 3.087 50 0 HGAARO O=C(CCN(C(=O)c1cccc(Br)c1)C1CCCCC1)N1CC[NH2+]CC1 ZINC000045966827 526473525 /nfs/dbraw/zinc/47/35/25/526473525.db2.gz MZRCIUWEAVTKSW-UHFFFAOYSA-N 1 0 422.367 3.046 50 0 HGAARO NC(=O)C1CC[NH+](CCCCNC(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000032915970 526857584 /nfs/dbraw/zinc/85/75/84/526857584.db2.gz GBQHMNQYLIYYCN-UHFFFAOYSA-N 1 0 420.966 3.171 50 0 HGAARO COc1ccc(NC(=O)CC[N@H+](C)CCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000001456201 557267780 /nfs/dbraw/zinc/26/77/80/557267780.db2.gz XLNAKXGHDFMIKR-UHFFFAOYSA-N 1 0 402.491 3.224 50 0 biogenic HGAARO O=C(Cn1ncc2c1-c1ccccc1OC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006805314 557722480 /nfs/dbraw/zinc/72/24/80/557722480.db2.gz UVSCKNBJNZMXPI-UHFFFAOYSA-N 1 0 402.498 3.223 50 0 HGAARO COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022794766 557822014 /nfs/dbraw/zinc/82/20/14/557822014.db2.gz XUHGJBYAVKORTN-LJQANCHMSA-N 1 0 405.901 3.206 50 0 HGAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000009423323 557842438 /nfs/dbraw/zinc/84/24/38/557842438.db2.gz WHAFSZPUIXHYJI-UHFFFAOYSA-N 1 0 418.497 3.149 50 0 HGAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)o1 ZINC000019742113 558262539 /nfs/dbraw/zinc/26/25/39/558262539.db2.gz DYBWFGSGQTVQHS-HXUWFJFHSA-N 1 0 422.533 3.150 50 0 HGAARO Cc1c(C[NH+]2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cnn1C ZINC000011706443 558270862 /nfs/dbraw/zinc/27/08/62/558270862.db2.gz VFAUNWPZHNNGKI-UHFFFAOYSA-N 1 0 406.534 3.333 50 0 HGAARO O=C(Cc1cc(F)ccc1F)NC[C@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)O1 ZINC000011785615 558275942 /nfs/dbraw/zinc/27/59/42/558275942.db2.gz GENQHMRHUAAHMP-HXUWFJFHSA-N 1 0 415.484 3.232 50 0 HGAARO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCC(=O)N[C@@H](c1cccnc1)C(F)(F)F)C2 ZINC000011790202 558277208 /nfs/dbraw/zinc/27/72/08/558277208.db2.gz SWSFBZLAUUIQPF-VLIAUNLRSA-N 1 0 423.435 3.483 50 0 HGAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)CC1 ZINC000019791489 558282867 /nfs/dbraw/zinc/28/28/67/558282867.db2.gz GBSWQPUXEODFLE-IBGZPJMESA-N 1 0 405.546 3.358 50 0 HGAARO Cc1c[nH]c(CN(C)Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)n1 ZINC000011819993 558283447 /nfs/dbraw/zinc/28/34/47/558283447.db2.gz UALNFFONHGBELV-NRFANRHFSA-N 1 0 400.567 3.354 50 0 HGAARO O=C(NCCc1ccncc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011820574 558283938 /nfs/dbraw/zinc/28/39/38/558283938.db2.gz DXYFXJGCCZNAHE-HSZRJFAPSA-N 1 0 406.574 3.117 50 0 HGAARO COc1ccc(CN2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)cc1 ZINC000011821278 558284419 /nfs/dbraw/zinc/28/44/19/558284419.db2.gz BZHIWNYWEHPZGZ-UHFFFAOYSA-N 1 0 422.573 3.083 50 0 HGAARO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1OC ZINC000019808145 558286167 /nfs/dbraw/zinc/28/61/67/558286167.db2.gz LZMKCVQQWQDXPE-UHFFFAOYSA-N 1 0 400.494 3.414 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NC[C@H]2CCCO2)c1 ZINC000011842606 558287677 /nfs/dbraw/zinc/28/76/77/558287677.db2.gz OJWQGKJXBCIQHB-HXUWFJFHSA-N 1 0 402.535 3.390 50 0 HGAARO CCn1nc(C)c([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCC[N@H+]24)c1C ZINC000011843530 558288476 /nfs/dbraw/zinc/28/84/76/558288476.db2.gz XCCXKASHXYMQQB-XTJBDQBJSA-N 1 0 404.558 3.425 50 0 HGAARO CCOC(=O)CC1([NH2+]Cc2c(C(=O)N3CCCC3)nc3sccn23)CCCCC1 ZINC000011935381 558299517 /nfs/dbraw/zinc/29/95/17/558299517.db2.gz PHHZQMCDZTYTJM-UHFFFAOYSA-N 1 0 418.563 3.378 50 0 HGAARO O=C1C[C@@H]([NH+]2CCCCCCC2)C(=O)N1c1ccc(I)cc1 ZINC000019890539 558302975 /nfs/dbraw/zinc/30/29/75/558302975.db2.gz HWGLPTMGGIWZIY-OAHLLOKOSA-N 1 0 412.271 3.189 50 0 HGAARO O=C(c1cc2ccccc2o1)N1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000012072919 558318015 /nfs/dbraw/zinc/31/80/15/558318015.db2.gz SRGYIBOOBVBHEP-UHFFFAOYSA-N 1 0 409.530 3.372 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)Cc2cc[nH]n2)c1 ZINC000012208203 558353276 /nfs/dbraw/zinc/35/32/76/558353276.db2.gz VTAYVMOHBPWCPS-UHFFFAOYSA-N 1 0 412.534 3.476 50 0 HGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1)c1[nH]nc2ccccc21 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KFKCGYAQBWHEFJ-GOSISDBHSA-N 1 0 407.518 3.048 50 0 HGAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(NC(C)=O)cc3)C[C@@H]2CCO)cc1C ZINC000020999009 558427905 /nfs/dbraw/zinc/42/79/05/558427905.db2.gz ZNQBMCRUPKJFPQ-QHCPKHFHSA-N 1 0 411.546 3.031 50 0 HGAARO OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CC[N@@H+]1CCCc1ccccc1 ZINC000020999522 558428286 /nfs/dbraw/zinc/42/82/86/558428286.db2.gz FLEIRCGQUJPVGX-HSZRJFAPSA-N 1 0 404.558 3.374 50 0 HGAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(N4CCNC4=O)cc3)C2)cc1F ZINC000012703503 558448782 /nfs/dbraw/zinc/44/87/82/558448782.db2.gz OWUGTWDWTSEWLJ-GOSISDBHSA-N 1 0 411.477 3.459 50 0 HGAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@H](C)CCn3cccn3)CC2)c1 ZINC000012716721 558455430 /nfs/dbraw/zinc/45/54/30/558455430.db2.gz XUGMHHBDENHUAC-QGZVFWFLSA-N 1 0 412.534 3.106 50 0 HGAARO C[NH+](C)Cc1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000012769212 558462081 /nfs/dbraw/zinc/46/20/81/558462081.db2.gz PAASZEGOHYFFAL-UHFFFAOYSA-N 1 0 424.570 3.174 50 0 HGAARO CCOC(=O)c1ccnn1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022912099 558519661 /nfs/dbraw/zinc/51/96/61/558519661.db2.gz JJDPGJUDIFTCCE-UHFFFAOYSA-N 1 0 404.514 3.425 50 0 HGAARO CCC1(CC)NC(=O)N(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022917999 558522282 /nfs/dbraw/zinc/52/22/82/558522282.db2.gz UYWRKWYIMRJBNG-UHFFFAOYSA-N 1 0 420.557 3.462 50 0 HGAARO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000023128941 558536666 /nfs/dbraw/zinc/53/66/66/558536666.db2.gz ZKTIHASFQFTPRG-UHFFFAOYSA-N 1 0 422.920 3.208 50 0 HGAARO Cc1cc(N2CCCN(C(=O)[C@H]3CCC(=O)N(Cc4cccc(F)c4)C3)CC2)cc[nH+]1 ZINC000023214480 558542814 /nfs/dbraw/zinc/54/28/14/558542814.db2.gz CVPWWXFMGHMXRS-FQEVSTJZSA-N 1 0 424.520 3.007 50 0 HGAARO CCc1[nH]c(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c(C)c1C(=O)OC ZINC000023487092 558559901 /nfs/dbraw/zinc/55/99/01/558559901.db2.gz OSJLVFINIDTHAH-LJQANCHMSA-N 1 0 413.518 3.248 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000013723941 558583516 /nfs/dbraw/zinc/58/35/16/558583516.db2.gz JFSUGZAYAXUPDW-OAHLLOKOSA-N 1 0 419.547 3.358 50 0 HGAARO CCN1C[C@H](C[N@H+](C)CCCCN2C(=O)c3ccccc3C2=O)Oc2ccccc21 ZINC000024242057 558593103 /nfs/dbraw/zinc/59/31/03/558593103.db2.gz UWYIVKCWRLPDGQ-SFHVURJKSA-N 1 0 407.514 3.282 50 0 HGAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000024831519 558614923 /nfs/dbraw/zinc/61/49/23/558614923.db2.gz UTOUOHONUGPBCF-UHFFFAOYSA-N 1 0 412.559 3.012 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1Cl ZINC000024986726 558625248 /nfs/dbraw/zinc/62/52/48/558625248.db2.gz SPACSRNDUJLHRQ-SFHVURJKSA-N 1 0 401.894 3.484 50 0 HGAARO COc1cccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000025196650 558634438 /nfs/dbraw/zinc/63/44/38/558634438.db2.gz QWZLNSVSMLGPBA-SFHVURJKSA-N 1 0 410.436 3.276 50 0 HGAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCCc1ccncc1)C2 ZINC000014733453 558666151 /nfs/dbraw/zinc/66/61/51/558666151.db2.gz OADAIUAXVHRWRV-FQEVSTJZSA-N 1 0 409.578 3.394 50 0 HGAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000014743872 558668017 /nfs/dbraw/zinc/66/80/17/558668017.db2.gz HWPJBMQFWQESNG-GOSISDBHSA-N 1 0 402.583 3.061 50 0 HGAARO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014746176 558669153 /nfs/dbraw/zinc/66/91/53/558669153.db2.gz AFMNXZGNNGJAPA-FQEVSTJZSA-N 1 0 418.541 3.383 50 0 HGAARO CCC[NH+]1CCN(CCCNC(=O)c2noc3c2CSc2ccccc2-3)CC1 ZINC000022936349 558674276 /nfs/dbraw/zinc/67/42/76/558674276.db2.gz QRPDWKYRXGRWIY-UHFFFAOYSA-N 1 0 400.548 3.095 50 0 HGAARO CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CC[NH+](C[C@@H]2CC=CCC2)CC3)CC1 ZINC000014882439 558676678 /nfs/dbraw/zinc/67/66/78/558676678.db2.gz RRTYXIISTKYERG-UYAOXDASSA-N 1 0 403.567 3.182 50 0 HGAARO Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1 ZINC000027663591 558678952 /nfs/dbraw/zinc/67/89/52/558678952.db2.gz CJKASSTWKCDYRF-QFIPXVFZSA-N 1 0 415.965 3.441 50 0 HGAARO COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1=O ZINC000027675849 558680364 /nfs/dbraw/zinc/68/03/64/558680364.db2.gz RJHZVYWHWABLPG-BBRMVZONSA-N 1 0 421.950 3.182 50 0 HGAARO Cc1ccn(CC(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000014953805 558681663 /nfs/dbraw/zinc/68/16/63/558681663.db2.gz SHRRGLBFMLNQOG-DEOSSOPVSA-N 1 0 424.589 3.420 50 0 HGAARO COc1ccccc1CCN1C(=O)CC[C@H]1CC[NH2+]CCOc1ccc(F)cc1 ZINC000014961375 558684163 /nfs/dbraw/zinc/68/41/63/558684163.db2.gz WSWRIELYTAIXOT-FQEVSTJZSA-N 1 0 400.494 3.427 50 0 HGAARO Cc1cc(C)n(CCCn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]CC2CC2)C4)n1 ZINC000014981516 558691899 /nfs/dbraw/zinc/69/18/99/558691899.db2.gz YPXWMSJZNICBKC-QGZVFWFLSA-N 1 0 411.575 3.219 50 0 HGAARO CCOc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000028287460 558694716 /nfs/dbraw/zinc/69/47/16/558694716.db2.gz RDVSZDJWEQGXAO-HXUWFJFHSA-N 1 0 401.938 3.457 50 0 HGAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)Cn2cccn2)CC1 ZINC000015063476 558706116 /nfs/dbraw/zinc/70/61/16/558706116.db2.gz HRSDJHRCQJKHHK-HSZRJFAPSA-N 1 0 410.562 3.111 50 0 HGAARO Cn1cc(C(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c(=O)c2ccccc21 ZINC000015070242 558712338 /nfs/dbraw/zinc/71/23/38/558712338.db2.gz JJFOAINPUFYSCH-HXUWFJFHSA-N 1 0 403.526 3.366 50 0 HGAARO COc1cc(C(=O)N2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)ccc1C ZINC000015079197 558718158 /nfs/dbraw/zinc/71/81/58/558718158.db2.gz IVDXKHICLVPKJY-IBGZPJMESA-N 1 0 415.578 3.189 50 0 HGAARO O=C(CCNC(=O)c1ccc(Cl)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988635 558765635 /nfs/dbraw/zinc/76/56/35/558765635.db2.gz FUDOYRNVCJLELC-GOSISDBHSA-N 1 0 403.910 3.396 50 0 HGAARO COCCC[N@@H+]1CCCN(Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000072308500 558769359 /nfs/dbraw/zinc/76/93/59/558769359.db2.gz SCSCVQQJTVVLDH-UHFFFAOYSA-N 1 0 416.587 3.372 50 0 HGAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000035421538 558791185 /nfs/dbraw/zinc/79/11/85/558791185.db2.gz VGKIIYLZEVZDRM-UHFFFAOYSA-N 1 0 417.912 3.252 50 0 HGAARO COc1ccccc1/C=C1\Oc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2NC1=O ZINC000032983743 558804762 /nfs/dbraw/zinc/80/47/62/558804762.db2.gz SZLLOGYFKANWKC-JWGURIENSA-N 1 0 421.497 3.283 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032995315 558809692 /nfs/dbraw/zinc/80/96/92/558809692.db2.gz URDTWCJCPQVZPL-INIZCTEOSA-N 1 0 415.563 3.104 50 0 HGAARO CCOCc1cc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)ccc1OC ZINC000039467185 558821451 /nfs/dbraw/zinc/82/14/51/558821451.db2.gz SCDIFYZTHJNLFX-HXUWFJFHSA-N 1 0 404.576 3.362 50 0 HGAARO Cc1cc2nc3sc(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)cc(=O)n3c2cc1C ZINC000033009107 558828347 /nfs/dbraw/zinc/82/83/47/558828347.db2.gz IDONNBYIRNLICF-AWEZNQCLSA-N 1 0 412.559 3.378 50 0 HGAARO CN(C)c1ncc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)s1 ZINC000019229095 558853139 /nfs/dbraw/zinc/85/31/39/558853139.db2.gz ZAVMIISQYNFGPZ-KRWDZBQOSA-N 1 0 403.571 3.135 50 0 HGAARO Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@@]21N=C(Nc2ccccc2)NC(=[NH2+])N1 ZINC000019326868 558868043 /nfs/dbraw/zinc/86/80/43/558868043.db2.gz GJBCCQHRICACIC-PSLXWICFSA-N 1 0 402.502 3.166 50 0 HGAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000055108220 558872789 /nfs/dbraw/zinc/87/27/89/558872789.db2.gz NXMOZXSDMHSJLT-JOCHJYFZSA-N 1 0 407.558 3.441 50 0 HGAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cn4c(cccc4C)n3)C2)CC1 ZINC000055568823 558882813 /nfs/dbraw/zinc/88/28/13/558882813.db2.gz AFXPSVBKEDKEMP-NRFANRHFSA-N 1 0 417.557 3.378 50 0 HGAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)N4CCC(C)CC4)c(C)c32)CC1 ZINC000033048377 558885647 /nfs/dbraw/zinc/88/56/47/558885647.db2.gz ZOOKFEYZLUFXQC-UHFFFAOYSA-N 1 0 401.580 3.404 50 0 HGAARO Cc1[nH]c2ccc(C(=O)N3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)cc2c1C ZINC000057984651 558892189 /nfs/dbraw/zinc/89/21/89/558892189.db2.gz OCJGSOVZEUFVAW-UHFFFAOYSA-N 1 0 412.578 3.341 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(-n2nnc3cccnc32)c1 ZINC000035422214 558895053 /nfs/dbraw/zinc/89/50/53/558895053.db2.gz XQELWMPVCVBPAE-UHFFFAOYSA-N 1 0 412.497 3.210 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CCCCC1 ZINC000058173739 558908827 /nfs/dbraw/zinc/90/88/27/558908827.db2.gz CSAVRDPWNPSSFJ-KRWDZBQOSA-N 1 0 401.960 3.376 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)C1 ZINC000004709575 558913708 /nfs/dbraw/zinc/91/37/08/558913708.db2.gz SXSVIGHWCIPZNZ-IRXDYDNUSA-N 1 0 416.953 3.048 50 0 HGAARO C[C@@H](CNC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)N(C)c1ccccc1 ZINC000058342769 558920506 /nfs/dbraw/zinc/92/05/06/558920506.db2.gz XNERCRGNSQIRJA-SFHVURJKSA-N 1 0 423.561 3.030 50 0 HGAARO CCOc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000064799766 558965586 /nfs/dbraw/zinc/96/55/86/558965586.db2.gz IJNYEEZHCZVBQX-UHFFFAOYSA-N 1 0 409.534 3.136 50 0 HGAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)NCc1ccccc1Cl ZINC000072405798 558984950 /nfs/dbraw/zinc/98/49/50/558984950.db2.gz SWISQVDAJFNYMI-UHFFFAOYSA-N 1 0 404.894 3.364 50 0 HGAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1cccc(Br)c1 ZINC000067603510 558988037 /nfs/dbraw/zinc/98/80/37/558988037.db2.gz ACKWFLVROBLXKV-UHFFFAOYSA-N 1 0 413.279 3.220 50 0 HGAARO Cc1cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc(N2CCCCC2)[nH+]1 ZINC000067604227 558988454 /nfs/dbraw/zinc/98/84/54/558988454.db2.gz IIFZLGWWNYWZHB-UHFFFAOYSA-N 1 0 401.461 3.016 50 0 HGAARO COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCCN(C(=O)CC[NH3+])C4)nc12 ZINC000067673456 558991022 /nfs/dbraw/zinc/99/10/22/558991022.db2.gz GNGSBLLJRAPXMI-UHFFFAOYSA-N 1 0 421.497 3.297 50 0 HGAARO CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)nc2)C1 ZINC000067881060 558994382 /nfs/dbraw/zinc/99/43/82/558994382.db2.gz KXOFLCQVSWHLGB-HXUWFJFHSA-N 1 0 400.567 3.079 50 0 HGAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(c3ncccc3F)CC2)C1 ZINC000082087818 559037055 /nfs/dbraw/zinc/03/70/55/559037055.db2.gz UQZKXLKSDFPQIJ-FQEVSTJZSA-N 1 0 410.537 3.260 50 0 HGAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000082108396 559038690 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402.861 3.222 50 0 HGAARO Cn1c(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)nc2ccccc21 ZINC000091829986 559073699 /nfs/dbraw/zinc/07/36/99/559073699.db2.gz JHDNUDMYWXCBPU-UHFFFAOYSA-N 1 0 403.530 3.373 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCC(O)CC2)c1 ZINC000095499397 559081897 /nfs/dbraw/zinc/08/18/97/559081897.db2.gz SXVKLDKUJQSCLO-UHFFFAOYSA-N 1 0 402.535 3.078 50 0 HGAARO Cc1nnc(CN(C)Cc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)o1 ZINC000095517524 559084818 /nfs/dbraw/zinc/08/48/18/559084818.db2.gz REQPLWGMVNOBEY-HXUWFJFHSA-N 1 0 402.539 3.014 50 0 HGAARO O=C1C[C@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1cccc2ccccc21 ZINC000100118637 559130054 /nfs/dbraw/zinc/13/00/54/559130054.db2.gz UQZFLGUCNIKTIT-QFIPXVFZSA-N 1 0 403.457 3.433 50 0 HGAARO COc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)c3ccn(C)n3)nc21 ZINC000011695521 559188622 /nfs/dbraw/zinc/18/86/22/559188622.db2.gz LGUKCSTUUWAPGJ-UHFFFAOYSA-N 1 0 407.927 3.290 50 0 HGAARO C[NH+](C)CCCn1c2c(c(SCC(=O)Nc3ccccc3Cl)nc1=O)CCC2 ZINC000004851818 559191329 /nfs/dbraw/zinc/19/13/29/559191329.db2.gz ZCSABBDFWJRTQQ-UHFFFAOYSA-N 1 0 420.966 3.068 50 0 HGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ncc2c1c1cc(C)ccc1oc2=O ZINC000004961751 559217797 /nfs/dbraw/zinc/21/77/97/559217797.db2.gz KXYUNOWGPBNDJA-KRWDZBQOSA-N 1 0 410.518 3.222 50 0 HGAARO Cc1ccc2oc(=O)c3cnn(CC(=O)NCCC[NH+]4[C@H](C)CCC[C@H]4C)c3c2c1 ZINC000004961874 559217855 /nfs/dbraw/zinc/21/78/55/559217855.db2.gz NPMVAMSPXLHZEC-IAGOWNOFSA-N 1 0 410.518 3.220 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000247954889 559256514 /nfs/dbraw/zinc/25/65/14/559256514.db2.gz NSFVCQRQGUFABE-BZSNNMDCSA-N 1 0 407.580 3.084 50 0 HGAARO Cc1cc(C)cc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCCC3)c1 ZINC000005254518 560552135 /nfs/dbraw/zinc/55/21/35/560552135.db2.gz OUEFRHQJDZZPAY-UHFFFAOYSA-N 1 0 414.575 3.031 50 0 HGAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000005274577 560561413 /nfs/dbraw/zinc/56/14/13/560561413.db2.gz NKDLBWHEJZNRDE-OAQYLSRUSA-N 1 0 419.481 3.117 50 0 HGAARO CC[NH+](CC)CCCNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000006052988 560629327 /nfs/dbraw/zinc/62/93/27/560629327.db2.gz DDUCWAIUYBQSAX-NTCAYCPXSA-N 1 0 421.607 3.113 50 0 HGAARO O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000101375045 560793547 /nfs/dbraw/zinc/79/35/47/560793547.db2.gz BYTSCENOBFZUJW-UHFFFAOYSA-N 1 0 411.546 3.039 50 0 HGAARO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000105061741 560861311 /nfs/dbraw/zinc/86/13/11/560861311.db2.gz NHZCYZIPAKKYQU-VGSWGCGISA-N 1 0 411.571 3.083 50 0 HGAARO COc1ccccc1N1CC[NH+](CCCCN2c3cc(C)ccc3OCC2=O)CC1 ZINC000005740507 560861837 /nfs/dbraw/zinc/86/18/37/560861837.db2.gz OZJJRVUBVXQQHT-UHFFFAOYSA-N 1 0 409.530 3.331 50 0 HGAARO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000106920682 560894551 /nfs/dbraw/zinc/89/45/51/560894551.db2.gz YAYOMZWHQGTVCH-SJLPKXTDSA-N 1 0 413.484 3.123 50 0 HGAARO O=C(c1ccccc1)N1C[C@@H](C[NH2+]Cc2cc(F)cc3cccnc32)N2CC[C@H]1C2 ZINC000108367024 568418655 /nfs/dbraw/zinc/41/86/55/568418655.db2.gz UHSOGWXCDGWBTE-FCHUYYIVSA-N 1 0 404.489 3.062 50 0 HGAARO CCn1nnc2cc(C(=O)N[C@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)ccc21 ZINC000048303911 568436278 /nfs/dbraw/zinc/43/62/78/568436278.db2.gz PRZRWTZZCDARMY-IBGZPJMESA-N 1 0 405.502 3.169 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC000048310883 568436809 /nfs/dbraw/zinc/43/68/09/568436809.db2.gz DWGDDUAHLDNZPL-QZTJIDSGSA-N 1 0 414.571 3.498 50 0 HGAARO CC(C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000048302793 568437784 /nfs/dbraw/zinc/43/77/84/568437784.db2.gz OKUBLIRUCSFRJG-OAQYLSRUSA-N 1 0 417.569 3.439 50 0 HGAARO C[NH+]1CCN(c2cc(CNC(=O)CCc3cccc(Cl)c3Cl)ccn2)CC1 ZINC000048325842 568438800 /nfs/dbraw/zinc/43/88/00/568438800.db2.gz XMQJHBXVYPOHKX-UHFFFAOYSA-N 1 0 407.345 3.389 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cn2ncc3ccccc3c2=O)C1 ZINC000048342583 568440517 /nfs/dbraw/zinc/44/05/17/568440517.db2.gz GVVFWOHXPSSHQV-KDURUIRLSA-N 1 0 418.541 3.191 50 0 HGAARO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CCc3c[nH]c4ccccc34)c2)CC1 ZINC000048375389 568442442 /nfs/dbraw/zinc/44/24/42/568442442.db2.gz WQOSBJBQIUKLKC-UHFFFAOYSA-N 1 0 404.514 3.437 50 0 HGAARO Cc1nc2c(c(=O)n1CC(=O)Nc1cc(F)cc(F)c1)C[N@H+](Cc1ccccc1)CC2 ZINC000049400855 568447609 /nfs/dbraw/zinc/44/76/09/568447609.db2.gz MDVBHSSQAIXKKH-UHFFFAOYSA-N 1 0 424.451 3.027 50 0 HGAARO Cc1cc(C)cc(NC(=O)Cn2cnc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000049400723 568447658 /nfs/dbraw/zinc/44/76/58/568447658.db2.gz NISDCWPBGSCVBZ-UHFFFAOYSA-N 1 0 402.498 3.057 50 0 HGAARO O=C(NC1CC1)c1ccc(N2CC[C@H]([NH2+]Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000049420994 568450449 /nfs/dbraw/zinc/45/04/49/568450449.db2.gz RLKXCVGNQKBMRI-SFHVURJKSA-N 1 0 404.436 3.361 50 0 HGAARO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000014931402 568456323 /nfs/dbraw/zinc/45/63/23/568456323.db2.gz SLFCISHXHLQVQT-CQSZACIVSA-N 1 0 415.515 3.348 50 0 HGAARO Cc1ccc(C(=O)NC2CCN(C(=O)NCC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)o1 ZINC000051711894 568473337 /nfs/dbraw/zinc/47/33/37/568473337.db2.gz VOFCGFKUAHMWQY-IAGOWNOFSA-N 1 0 418.582 3.248 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031769 568510548 /nfs/dbraw/zinc/51/05/48/568510548.db2.gz ZELCMSHAPAJNQK-QGZVFWFLSA-N 1 0 412.509 3.164 50 0 HGAARO COc1cccc(NC(=S)N(CCCN2CC[NH+](C)CC2)Cc2ccco2)c1 ZINC000020107665 568588296 /nfs/dbraw/zinc/58/82/96/568588296.db2.gz DPNIEGSNCFVXCW-UHFFFAOYSA-N 1 0 402.564 3.125 50 0 HGAARO C[NH+](C)Cc1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c1 ZINC000095349802 568600655 /nfs/dbraw/zinc/60/06/55/568600655.db2.gz CCTGLBWJHIEKOC-NRFANRHFSA-N 1 0 421.566 3.467 50 0 HGAARO Cc1ccc2[nH]c3c(ncn(CCN4CC[NH+](Cc5ccccc5)CC4)c3=O)c2c1 ZINC000020438315 568607165 /nfs/dbraw/zinc/60/71/65/568607165.db2.gz CTPFWDQKSFUEGV-UHFFFAOYSA-N 1 0 401.514 3.004 50 0 HGAARO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CNC(=O)c3ccc(Br)o3)c2C1 ZINC000095431481 568609138 /nfs/dbraw/zinc/60/91/38/568609138.db2.gz HQQHZHJHJNMTMY-UHFFFAOYSA-N 1 0 420.307 3.382 50 0 HGAARO CC(C)[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c(=O)c2C1 ZINC000020467807 568610562 /nfs/dbraw/zinc/61/05/62/568610562.db2.gz AZBNJJFHZHCSLQ-UHFFFAOYSA-N 1 0 410.902 3.472 50 0 HGAARO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)Cc3ccc4c(c3)OCO4)cc2)C[C@@H]1C ZINC000095460123 568620005 /nfs/dbraw/zinc/62/00/05/568620005.db2.gz QRIHZMYOWSLACY-OALUTQOASA-N 1 0 424.541 3.283 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000020508766 568620245 /nfs/dbraw/zinc/62/02/45/568620245.db2.gz ZFSZSONWAIXUSI-GOSISDBHSA-N 1 0 405.498 3.213 50 0 HGAARO CC(C)n1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000020677922 568639828 /nfs/dbraw/zinc/63/98/28/568639828.db2.gz WBZLNNRGKDDLCQ-UHFFFAOYSA-N 1 0 421.545 3.382 50 0 HGAARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc2c(c1)OCO2 ZINC000021148559 568672061 /nfs/dbraw/zinc/67/20/61/568672061.db2.gz BGFSBNFDSHCMKZ-UHFFFAOYSA-N 1 0 421.522 3.500 50 0 HGAARO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@H](CC)CN1c1nc(-c2cccnc2)nc2c1CCC2 ZINC000225813486 568676778 /nfs/dbraw/zinc/67/67/78/568676778.db2.gz UWQIHHBJNYMFNJ-RTBURBONSA-N 1 0 409.578 3.477 50 0 HGAARO CCn1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccc(OC)cc3)C2)cn1 ZINC000096000199 568680904 /nfs/dbraw/zinc/68/09/04/568680904.db2.gz MSLVEJOTUKQLFX-GOSISDBHSA-N 1 0 408.506 3.267 50 0 HGAARO O=C(C1CCN(c2nnc(-c3ccccc3)o2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000096101922 568691350 /nfs/dbraw/zinc/69/13/50/568691350.db2.gz FWVAVEWLTOCYPG-UHFFFAOYSA-N 1 0 423.561 3.430 50 0 HGAARO COc1ccc(C[NH+]2CCC(NC(=O)CCc3c(C)noc3C)CC2)cc1OC ZINC000096118483 568698170 /nfs/dbraw/zinc/69/81/70/568698170.db2.gz QUCITBMKJADLFX-UHFFFAOYSA-N 1 0 401.507 3.022 50 0 HGAARO CC(C)n1nnc(-c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000096223940 568706291 /nfs/dbraw/zinc/70/62/91/568706291.db2.gz XBGCNFRZBDRVGM-UHFFFAOYSA-N 1 0 404.518 3.315 50 0 HGAARO COc1cn(CC(=O)NCC(C)C)c(C[NH+]2CCC(c3ccccc3)CC2)cc1=O ZINC000096224281 568706574 /nfs/dbraw/zinc/70/65/74/568706574.db2.gz IDPPDUKADOLSCC-UHFFFAOYSA-N 1 0 411.546 3.009 50 0 HGAARO O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCCN12)c1ccc(Cl)cc1 ZINC000229886025 568715759 /nfs/dbraw/zinc/71/57/59/568715759.db2.gz UPVXRZXAZJOAQF-OKYOBFRVSA-N 1 0 412.848 3.314 50 0 HGAARO COc1ccc([C@H](CN2CC[NH+](C)CC2)NC(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000096315836 568725631 /nfs/dbraw/zinc/72/56/31/568725631.db2.gz SVYKKMVDIZSBGJ-ABDOIKBISA-N 1 0 413.949 3.467 50 0 HGAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCCCC4)cc3C2)CC1 ZINC000096398391 568747168 /nfs/dbraw/zinc/74/71/68/568747168.db2.gz GOYCPTYPXIDCOX-QGZVFWFLSA-N 1 0 403.592 3.033 50 0 HGAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc2ncnc(N3CCCC3)c2c1 ZINC000096399938 568749203 /nfs/dbraw/zinc/74/92/03/568749203.db2.gz MREVYENRBMXJCA-UHFFFAOYSA-N 1 0 401.514 3.018 50 0 HGAARO COc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c1 ZINC000021795145 568753689 /nfs/dbraw/zinc/75/36/89/568753689.db2.gz BMGDWQZDGJEQBW-UHFFFAOYSA-N 1 0 410.522 3.138 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccsc1 ZINC000025331874 568763391 /nfs/dbraw/zinc/76/33/91/568763391.db2.gz BRXOMERSDNVWPN-LJQANCHMSA-N 1 0 421.513 3.298 50 0 HGAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)NC(=O)Nc3ccccc3)c(C)c2)CC1 ZINC000056170346 568790547 /nfs/dbraw/zinc/79/05/47/568790547.db2.gz FCRDOEGBUFIGIT-SFHVURJKSA-N 1 0 409.534 3.286 50 0 HGAARO COc1cc(OC)cc([C@@H](NC(=O)c2ccc(Br)o2)c2nccn2C)c1 ZINC000029130668 568820955 /nfs/dbraw/zinc/82/09/55/568820955.db2.gz UTKKIBINVICGMQ-MRXNPFEDSA-N 1 0 420.263 3.312 50 0 HGAARO COc1ccc(C(=O)Nc2cccc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2)cc1 ZINC000012520458 568841232 /nfs/dbraw/zinc/84/12/32/568841232.db2.gz XKKRWWRAHXXAMU-FQEVSTJZSA-N 1 0 412.453 3.394 50 0 HGAARO COc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OCc1c(C)noc1C ZINC000012525587 568842887 /nfs/dbraw/zinc/84/28/87/568842887.db2.gz BEFFKADYEVKAFE-FQEVSTJZSA-N 1 0 418.457 3.325 50 0 HGAARO Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2C[C@@H](CO)CC[C@H]2C)c2ccccc2)cc1 ZINC000230199796 568854571 /nfs/dbraw/zinc/85/45/71/568854571.db2.gz DTNOJFNBTQNVPA-XQBPLPMBSA-N 1 0 402.560 3.107 50 0 HGAARO CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)CC1 ZINC000012560882 568858131 /nfs/dbraw/zinc/85/81/31/568858131.db2.gz BOYXAAGJAVQCLR-UHFFFAOYSA-N 1 0 401.532 3.010 50 0 HGAARO C[NH+](C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1cccn1-c1ccccn1)CCO2 ZINC000299757110 568872963 /nfs/dbraw/zinc/87/29/63/568872963.db2.gz HVGNCEDIHVQUKW-DEOSSOPVSA-N 1 0 406.530 3.036 50 0 HGAARO CCOC(=O)N1CCN(c2nc3c(C)cccc3cc2C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000299779651 568874940 /nfs/dbraw/zinc/87/49/40/568874940.db2.gz UYUZGHVQAXJVQS-FQEVSTJZSA-N 1 0 412.534 3.090 50 0 HGAARO O=C(CCCn1nnc(-c2ccccc2)n1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000058017672 568876544 /nfs/dbraw/zinc/87/65/44/568876544.db2.gz KZMNGVAMVCDTNW-OAQYLSRUSA-N 1 0 404.518 3.074 50 0 HGAARO COc1cc(CNC[C@H](C[NH+](C)C)[C@@H](O)c2ccccc2)cc(OC)c1OC(F)F ZINC000058050996 568881100 /nfs/dbraw/zinc/88/11/00/568881100.db2.gz NFTJQPXUGMNBKM-XLIONFOSSA-N 1 0 424.488 3.306 50 0 HGAARO CCc1cc(=O)n2nc(N(CC[NH+]3CCCC3)Cc3ccc(Cl)cc3)sc2n1 ZINC000083820267 568917573 /nfs/dbraw/zinc/91/75/73/568917573.db2.gz GVKKXCJGRUYDND-UHFFFAOYSA-N 1 0 417.966 3.469 50 0 HGAARO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2)CC1 ZINC000031284703 568921970 /nfs/dbraw/zinc/92/19/70/568921970.db2.gz YFPQXAQPHNRLOM-OAQYLSRUSA-N 1 0 409.530 3.176 50 0 HGAARO CCN(CC(=O)NC[C@@H](c1ccco1)[NH+](CC)CC)Cc1ccc2c(c1)OCCO2 ZINC000053094171 568935086 /nfs/dbraw/zinc/93/50/86/568935086.db2.gz HPDHDWUQSUBRQT-IBGZPJMESA-N 1 0 415.534 3.072 50 0 HGAARO CC[NH+](CC)CCNC(=O)C[S@@](=O)Cc1nc(-c2ccccc2Cl)oc1C ZINC000004111308 568944104 /nfs/dbraw/zinc/94/41/04/568944104.db2.gz PCUINXOSECMXAB-HHHXNRCGSA-N 1 0 411.955 3.010 50 0 HGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000012761159 568945495 /nfs/dbraw/zinc/94/54/95/568945495.db2.gz AEUJGJHFYZAVQR-FQEVSTJZSA-N 1 0 416.525 3.127 50 0 HGAARO CCN1c2ccc(S(=O)(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c3cccc(c23)C1=O ZINC000004162668 568947521 /nfs/dbraw/zinc/94/75/21/568947521.db2.gz YTXYVLZKEYNQJW-UHFFFAOYSA-N 1 0 415.559 3.407 50 0 HGAARO Cc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1 ZINC000059415107 568953195 /nfs/dbraw/zinc/95/31/95/568953195.db2.gz VPMFYHWUKMLBMB-TVMBOJQNSA-N 1 0 424.585 3.402 50 0 biogenic HGAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1I)c1cccc(F)c1 ZINC000012807828 568980423 /nfs/dbraw/zinc/98/04/23/568980423.db2.gz FXLXVSXKJHREDJ-MRXNPFEDSA-N 1 0 412.246 3.463 50 0 HGAARO C[C@H](CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)[NH+]1CCCCCC1 ZINC000015731066 568981544 /nfs/dbraw/zinc/98/15/44/568981544.db2.gz UGEASBQFUHZCHE-OAHLLOKOSA-N 1 0 411.593 3.054 50 0 HGAARO C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCCC[NH+]3CCCCCC3)ccc2S1 ZINC000015730929 568981565 /nfs/dbraw/zinc/98/15/65/568981565.db2.gz WFLAQSSSPXWCQK-HNNXBMFYSA-N 1 0 411.593 3.054 50 0 HGAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1noc2c1CCc1sccc1-2 ZINC000015733280 568983028 /nfs/dbraw/zinc/98/30/28/568983028.db2.gz CFNAVUDHVXYYAN-UHFFFAOYSA-N 1 0 422.554 3.444 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008263553 568985638 /nfs/dbraw/zinc/98/56/38/568985638.db2.gz NSFVCQRQGUFABE-OKZBNKHCSA-N 1 0 407.580 3.084 50 0 HGAARO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015773327 568999036 /nfs/dbraw/zinc/99/90/36/568999036.db2.gz FRZPOGFYPZTOPK-XMMPIXPASA-N 1 0 405.542 3.035 50 0 HGAARO C[C@@H]([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012904897 569021124 /nfs/dbraw/zinc/02/11/24/569021124.db2.gz NYUTYECZKXFKIT-VGOFRKELSA-N 1 0 414.571 3.449 50 0 HGAARO C[C@@H]1C[NH+](CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C[C@@H](C)O1 ZINC000012912215 569021789 /nfs/dbraw/zinc/02/17/89/569021789.db2.gz QDQHWLNSRKMVKL-HZPDHXFCSA-N 1 0 401.532 3.230 50 0 HGAARO Cc1c(C(=O)NCc2ccccc2C[NH+](C)C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000012919772 569022853 /nfs/dbraw/zinc/02/28/53/569022853.db2.gz XJSNGAKNLPSVQO-UHFFFAOYSA-N 1 0 424.570 3.484 50 0 HGAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C(C)C)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)c1 ZINC000015972748 569025248 /nfs/dbraw/zinc/02/52/48/569025248.db2.gz GDXJQZFJTRLPIA-WVMBUTMQSA-N 1 0 423.513 3.432 50 0 HGAARO C[NH+](C)CCNC(=O)[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000006363855 569045994 /nfs/dbraw/zinc/04/59/94/569045994.db2.gz BDCTYTCNIRVWSR-RDJZCZTQSA-N 1 0 413.971 3.369 50 0 HGAARO CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)c1 ZINC000012998035 569048338 /nfs/dbraw/zinc/04/83/38/569048338.db2.gz FORKMBSMTGWXBK-OAQYLSRUSA-N 1 0 417.575 3.106 50 0 HGAARO O=C1CSc2sc3c(ncn(C[C@H](c4cccs4)[NH+]4CCCC4)c3=O)c2N1 ZINC000035671682 569048464 /nfs/dbraw/zinc/04/84/64/569048464.db2.gz DTENPQCTFQWBDH-LLVKDONJSA-N 1 0 418.569 3.401 50 0 HGAARO O=C1CSc2sc3c(ncn(C[C@@H](c4cccs4)[NH+]4CCCC4)c3=O)c2N1 ZINC000035671683 569048493 /nfs/dbraw/zinc/04/84/93/569048493.db2.gz DTENPQCTFQWBDH-NSHDSACASA-N 1 0 418.569 3.401 50 0 HGAARO CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000245326930 569055889 /nfs/dbraw/zinc/05/58/89/569055889.db2.gz NEOVVIVDFOKJHO-IERDGZPVSA-N 1 0 418.925 3.110 50 0 HGAARO CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000245326933 569055901 /nfs/dbraw/zinc/05/59/01/569055901.db2.gz NEOVVIVDFOKJHO-IIBYNOLFSA-N 1 0 418.925 3.110 50 0 HGAARO COc1ccc(OCC[NH+]2CCN(c3nc4cc(C)nn4c4ccccc43)CC2)cc1 ZINC000026761509 569056524 /nfs/dbraw/zinc/05/65/24/569056524.db2.gz MJWZAXLDXKNYKE-UHFFFAOYSA-N 1 0 417.513 3.401 50 0 HGAARO CNS(=O)(=O)c1ccc(NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c(F)c1 ZINC000089395790 569059254 /nfs/dbraw/zinc/05/92/54/569059254.db2.gz XEYSIVKEFRGESI-OAQYLSRUSA-N 1 0 421.538 3.382 50 0 HGAARO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000054320975 569071060 /nfs/dbraw/zinc/07/10/60/569071060.db2.gz ARQLMUUOTNADFV-HSZRJFAPSA-N 1 0 412.622 3.217 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000064610858 569071286 /nfs/dbraw/zinc/07/12/86/569071286.db2.gz QKJMUWDVXJQOKL-SFHVURJKSA-N 1 0 412.515 3.166 50 0 HGAARO CC[NH+](CC)CCN(C)C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426405443 569072784 /nfs/dbraw/zinc/07/27/84/569072784.db2.gz CYIUZDAHYMQGPY-UHFFFAOYSA-N 1 0 404.580 3.325 50 0 HGAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4[nH]cc(C)c(=O)c4C)C3)C2=O)c1 ZINC000426442860 569073064 /nfs/dbraw/zinc/07/30/64/569073064.db2.gz HUTRPCBUPCJUPR-DEOSSOPVSA-N 1 0 409.530 3.015 50 0 HGAARO CN(C)C(=O)c1cncc(N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)n1 ZINC000426604505 569073576 /nfs/dbraw/zinc/07/35/76/569073576.db2.gz NDTWOSQVJOWJPY-XMMPIXPASA-N 1 0 407.562 3.104 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H](C)C[NH+]3CCCC3)csc2C1 ZINC000426712830 569074027 /nfs/dbraw/zinc/07/40/27/569074027.db2.gz VWJIIMTVICKQJD-CQSZACIVSA-N 1 0 402.564 3.125 50 0 HGAARO CC[C@H](C)[C@@H]([NH2+]C[C@H](O)COCC(C)C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000036154992 569101001 /nfs/dbraw/zinc/10/10/01/569101001.db2.gz IGQLYGXVUANRAH-URLQWDBASA-N 1 0 405.495 3.176 50 0 HGAARO C[N@H+](CCCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21)C1CCCCC1 ZINC000006782466 569120465 /nfs/dbraw/zinc/12/04/65/569120465.db2.gz NXHCPNOADLZEDB-UHFFFAOYSA-N 1 0 412.509 3.164 50 0 HGAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(Cl)c(-n3nnc4cccnc43)c2)C1 ZINC000064925517 569122854 /nfs/dbraw/zinc/12/28/54/569122854.db2.gz SXOQGSCBANSNLS-HNNXBMFYSA-N 1 0 412.925 3.321 50 0 HGAARO CC1(C)C=C(CN2CC[NH+](CCO)CC2)c2ccccc2N1C(=O)c1ccccc1 ZINC000169681479 569127432 /nfs/dbraw/zinc/12/74/32/569127432.db2.gz JWIVRZYOGSGNOU-UHFFFAOYSA-N 1 0 405.542 3.119 50 0 HGAARO CN(C)c1cc(C(C)(C)C)nc(SCc2ccc(C(=O)NCC[NH+](C)C)o2)n1 ZINC000006802206 569129773 /nfs/dbraw/zinc/12/97/73/569129773.db2.gz YNKCCWDLKHQAGX-UHFFFAOYSA-N 1 0 405.568 3.017 50 0 HGAARO CC[N@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21)Cc1ccccc1 ZINC000006804037 569130681 /nfs/dbraw/zinc/13/06/81/569130681.db2.gz VJXRWOONGPXEKZ-QFIPXVFZSA-N 1 0 406.530 3.250 50 0 HGAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341841 569141842 /nfs/dbraw/zinc/14/18/42/569141842.db2.gz TYHGEDGVLMJYHV-HXUWFJFHSA-N 1 0 407.470 3.197 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036343627 569142339 /nfs/dbraw/zinc/14/23/39/569142339.db2.gz VKEGIACXXPFGQL-QHCPKHFHSA-N 1 0 420.557 3.319 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000036345164 569143066 /nfs/dbraw/zinc/14/30/66/569143066.db2.gz VQSGILRXTRJGRO-HSZRJFAPSA-N 1 0 424.520 3.150 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccccc2OC)CC1 ZINC000036345314 569143174 /nfs/dbraw/zinc/14/31/74/569143174.db2.gz GPDVROKZSGNCFB-HSZRJFAPSA-N 1 0 420.557 3.319 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2cccc(OC)c2)CC1 ZINC000036345626 569143352 /nfs/dbraw/zinc/14/33/52/569143352.db2.gz APGURJCWRICDFC-XMMPIXPASA-N 1 0 420.557 3.319 50 0 HGAARO Cc1c(C(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841178 569151872 /nfs/dbraw/zinc/15/18/72/569151872.db2.gz DIPQOZRJLVAZSV-HUUCEWRRSA-N 1 0 416.591 3.486 50 0 HGAARO Cc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000006841362 569151880 /nfs/dbraw/zinc/15/18/80/569151880.db2.gz SUFOGSDPTWLSAX-UHFFFAOYSA-N 1 0 422.554 3.107 50 0 HGAARO COc1ccc([C@H](CNC(=O)C[C@H](NC(C)=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000006865330 569158814 /nfs/dbraw/zinc/15/88/14/569158814.db2.gz FPJJLJLUEXHXEQ-GOTSBHOMSA-N 1 0 409.530 3.216 50 0 HGAARO COc1ccc([C@@H](CNC(=O)C[C@H](NC(C)=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000006865334 569158885 /nfs/dbraw/zinc/15/88/85/569158885.db2.gz FPJJLJLUEXHXEQ-XZOQPEGZSA-N 1 0 409.530 3.216 50 0 HGAARO CCC[NH+](CCC)CCNC(=O)c1ccc(C[S@@](=O)c2ccc(OC)cc2)o1 ZINC000006895624 569175337 /nfs/dbraw/zinc/17/53/37/569175337.db2.gz DNYDSYPZDJRBRI-NDEPHWFRSA-N 1 0 406.548 3.448 50 0 HGAARO O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC000524735463 569214242 /nfs/dbraw/zinc/21/42/42/569214242.db2.gz DFACRVVIZSABDD-QFIPXVFZSA-N 1 0 424.570 3.282 50 0 HGAARO Cc1sc2c(ncn(C(C)C)c2=O)c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000065297380 569219083 /nfs/dbraw/zinc/21/90/83/569219083.db2.gz XCGRZZRJEJVICK-UHFFFAOYSA-N 1 0 402.564 3.438 50 0 HGAARO CC(C)C[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)[NH+](C)C ZINC000036725200 569225444 /nfs/dbraw/zinc/22/54/44/569225444.db2.gz XPGJXXIJGQYWQT-MRXNPFEDSA-N 1 0 417.623 3.400 50 0 HGAARO CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C[NH2+]CCCOC ZINC000007141175 569225587 /nfs/dbraw/zinc/22/55/87/569225587.db2.gz SNIZBDBHBWEBHF-UHFFFAOYSA-N 1 0 406.504 3.165 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 ZINC000065503837 569232993 /nfs/dbraw/zinc/23/29/93/569232993.db2.gz HCQYGAKIBBMVLJ-INIZCTEOSA-N 1 0 415.484 3.476 50 0 HGAARO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)C1 ZINC000007339652 569234045 /nfs/dbraw/zinc/23/40/45/569234045.db2.gz ZXMUBSCVNKOHLD-HDICACEKSA-N 1 0 407.580 3.168 50 0 HGAARO Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007447931 569239284 /nfs/dbraw/zinc/23/92/84/569239284.db2.gz GGILKQSFLYYJAT-UHFFFAOYSA-N 1 0 414.571 3.461 50 0 HGAARO Cc1cc(OCC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c2c3c(c(=O)oc2c1)CCC3 ZINC000170613598 569246949 /nfs/dbraw/zinc/24/69/49/569246949.db2.gz GZKZUSFMHOOODR-XLIONFOSSA-N 1 0 424.541 3.350 50 0 HGAARO CC(=O)c1ccc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)cc1 ZINC000013579122 569256330 /nfs/dbraw/zinc/25/63/30/569256330.db2.gz XAXDLJIFJBRYKP-IBGZPJMESA-N 1 0 420.498 3.015 50 0 HGAARO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000089644433 569261593 /nfs/dbraw/zinc/26/15/93/569261593.db2.gz FCMILTNGHOMPCQ-QFIPXVFZSA-N 1 0 415.559 3.492 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH2+]Cc2ccco2)c2ccc(F)cc2)cc1 ZINC000016839644 569264303 /nfs/dbraw/zinc/26/43/03/569264303.db2.gz CTHWBGLHCAIOBR-IBGZPJMESA-N 1 0 418.490 3.073 50 0 HGAARO COc1cn(CC(=O)Nc2ccc(F)cc2F)c(C[NH+]2CCCCCC2)cc1=O ZINC000016974475 569269748 /nfs/dbraw/zinc/26/97/48/569269748.db2.gz NAOALDKOGJQZJW-UHFFFAOYSA-N 1 0 405.445 3.150 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002102029 569281545 /nfs/dbraw/zinc/28/15/45/569281545.db2.gz GQWCDWWREXSFDW-BRKXNLHOSA-N 1 0 416.606 3.222 50 0 biogenic HGAARO Cc1cccc(-c2nc(NCC[NH+](C)C)nc3nn(Cc4ccccc4)c(N)c32)c1 ZINC000037359874 569283477 /nfs/dbraw/zinc/28/34/77/569283477.db2.gz YQCSACGYFNOVJF-UHFFFAOYSA-N 1 0 401.518 3.406 50 0 HGAARO CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(Cl)c3)co2)CC1 ZINC000034677558 569292505 /nfs/dbraw/zinc/29/25/05/569292505.db2.gz WCBJXWXDBOPEML-KRWDZBQOSA-N 1 0 420.941 3.167 50 0 HGAARO CC[C@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1c1nc(-c2cccnc2)nc2c1CCC2 ZINC000252552576 569294301 /nfs/dbraw/zinc/29/43/01/569294301.db2.gz UWQIHHBJNYMFNJ-OALUTQOASA-N 1 0 409.578 3.477 50 0 HGAARO C[NH+](C)CCNC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 ZINC000037556776 569306530 /nfs/dbraw/zinc/30/65/30/569306530.db2.gz CKFTVGQCJRFBQF-UHFFFAOYSA-N 1 0 423.488 3.486 50 0 HGAARO COc1ccc(C(=O)N/C(=C\c2cccc3ccccc23)C(=O)N2CC[NH2+]CC2)cc1 ZINC000195760341 569314193 /nfs/dbraw/zinc/31/41/93/569314193.db2.gz IDDPNDTZLRALQS-QJOMJCCJSA-N 1 0 415.493 3.051 50 0 HGAARO O=C(c1ccco1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581819672 569320760 /nfs/dbraw/zinc/32/07/60/569320760.db2.gz AOFFVXGODCNUSL-NRFANRHFSA-N 1 0 409.530 3.256 50 0 HGAARO COc1ccc(-c2n[nH]cc2C(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000253413962 569366942 /nfs/dbraw/zinc/36/69/42/569366942.db2.gz WCNHTZWYBUIBRT-PKOBYXMFSA-N 1 0 412.534 3.430 50 0 biogenic HGAARO COc1ccccc1[C@@H](CNC(=O)CNC(=O)c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000027571595 569374744 /nfs/dbraw/zinc/37/47/44/569374744.db2.gz MSUPUOPNHCGEOJ-LJQANCHMSA-N 1 0 415.921 3.032 50 0 HGAARO COc1cc2c(cc1OC)-c1cc(NC3CC(C)(C)[NH2+]C(C)(C)C3)nc(=O)n1CC2 ZINC000002450139 569402958 /nfs/dbraw/zinc/40/29/58/569402958.db2.gz MTUURDUNQJTNNA-UHFFFAOYSA-N 1 0 412.534 3.205 50 0 HGAARO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000013062936 569408339 /nfs/dbraw/zinc/40/83/39/569408339.db2.gz WOVUWEXTIHITJF-KURKYZTESA-N 1 0 407.580 3.166 50 0 HGAARO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCc1csc(CC)n1 ZINC000078938385 569421909 /nfs/dbraw/zinc/42/19/09/569421909.db2.gz NUQRSCMMILVREU-UHFFFAOYSA-N 1 0 417.579 3.220 50 0 HGAARO C[C@H]1C[NH+](CCCCNC(=O)C2(c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000079050763 569425560 /nfs/dbraw/zinc/42/55/60/569425560.db2.gz KKBNLXVHYOBVHM-HOTGVXAUSA-N 1 0 409.368 3.486 50 0 HGAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286934 571064894 /nfs/dbraw/zinc/06/48/94/571064894.db2.gz FWZBATGFQPOQQE-LJQANCHMSA-N 1 0 403.548 3.456 50 0 HGAARO Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000008750037 571111909 /nfs/dbraw/zinc/11/19/09/571111909.db2.gz CFRFWWUPHGBQQB-HNNXBMFYSA-N 1 0 402.520 3.278 50 0 HGAARO CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4cccc(C)c4C)n3)c(C)n2)CC1 ZINC000039404008 571132097 /nfs/dbraw/zinc/13/20/97/571132097.db2.gz OYTIYYHEUHOXCC-UHFFFAOYSA-N 1 0 419.533 3.038 50 0 HGAARO C[C@H]([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 ZINC000039738439 571134003 /nfs/dbraw/zinc/13/40/03/571134003.db2.gz GCSGCLAYXMKOJF-HTAPYJJXSA-N 1 0 418.603 3.174 50 0 HGAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000039945131 571135141 /nfs/dbraw/zinc/13/51/41/571135141.db2.gz SXEPCONCYVSSLA-NRFANRHFSA-N 1 0 418.578 3.416 50 0 HGAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)cc1 ZINC000040087008 571157650 /nfs/dbraw/zinc/15/76/50/571157650.db2.gz IYYAFVPGENKKHI-UHFFFAOYSA-N 1 0 405.498 3.146 50 0 HGAARO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000040104521 571165386 /nfs/dbraw/zinc/16/53/86/571165386.db2.gz CBOMLKCALRARMQ-UHFFFAOYSA-N 1 0 424.545 3.397 50 0 HGAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cccc(C[S@](C)=O)c1 ZINC000040107649 571167771 /nfs/dbraw/zinc/16/77/71/571167771.db2.gz CZMCDZYBRGNFSW-MUUNZHRXSA-N 1 0 402.560 3.216 50 0 HGAARO CCOc1ccc(N2C[C@@H](C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2=O)cc1 ZINC000040108153 571168126 /nfs/dbraw/zinc/16/81/26/571168126.db2.gz QXHIVMDJNHJBNT-OALUTQOASA-N 1 0 401.551 3.209 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000040112326 571170591 /nfs/dbraw/zinc/17/05/91/571170591.db2.gz FWDPIIRVFZKALQ-GOSISDBHSA-N 1 0 418.541 3.404 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000040112327 571170610 /nfs/dbraw/zinc/17/06/10/571170610.db2.gz FWDPIIRVFZKALQ-SFHVURJKSA-N 1 0 418.541 3.404 50 0 HGAARO O=S(=O)(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)c2ncccc12 ZINC000040152940 571200546 /nfs/dbraw/zinc/20/05/46/571200546.db2.gz LWDOPPKXPNGNCD-MRXNPFEDSA-N 1 0 401.919 3.441 50 0 HGAARO C[N@H+](CCOc1ccc(Br)cc1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000040154888 571201966 /nfs/dbraw/zinc/20/19/66/571201966.db2.gz IFLNTWKUXUHHGR-UHFFFAOYSA-N 1 0 402.292 3.239 50 0 HGAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(NC(=O)NCc2cccc3ccccc32)CC1 ZINC000244909800 571210399 /nfs/dbraw/zinc/21/03/99/571210399.db2.gz AWIJTDRZKATTHC-NRFANRHFSA-N 1 0 413.562 3.279 50 0 HGAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](C[C@@H](O)COC)C[C@H]1CCCO1 ZINC000245279128 571222273 /nfs/dbraw/zinc/22/22/73/571222273.db2.gz DQQDVKPTKXHOGV-WOJBJXKFSA-N 1 0 417.550 3.176 50 0 HGAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)C1 ZINC000245276334 571222321 /nfs/dbraw/zinc/22/23/21/571222321.db2.gz TUQGSJCJHVPFTB-AUSIDOKSSA-N 1 0 405.542 3.496 50 0 HGAARO CC(C)NC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000069815841 571245644 /nfs/dbraw/zinc/24/56/44/571245644.db2.gz PBSPASNKZASZGX-OAQYLSRUSA-N 1 0 400.567 3.360 50 0 HGAARO Cc1c(C(=O)NC2CC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000069947224 571250709 /nfs/dbraw/zinc/25/07/09/571250709.db2.gz BJJFLXDDYCEMMV-UHFFFAOYSA-N 1 0 405.477 3.165 50 0 HGAARO O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000070040158 571254856 /nfs/dbraw/zinc/25/48/56/571254856.db2.gz VECNTDDBKRFCFB-UHFFFAOYSA-N 1 0 419.516 3.294 50 0 HGAARO Cc1nc2ccccc2n(Cc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)c1=O ZINC000033005899 571315706 /nfs/dbraw/zinc/31/57/06/571315706.db2.gz PYEAHFJIRHTUBM-UHFFFAOYSA-N 1 0 418.541 3.359 50 0 HGAARO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCC[NH+](C)C)CC2)cc1 ZINC000033168620 571315843 /nfs/dbraw/zinc/31/58/43/571315843.db2.gz RKTOLEFKWJIGGI-UHFFFAOYSA-N 1 0 413.591 3.221 50 0 HGAARO O=C1[C@H]2CCCCN2C(=O)N1CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000641751 132229557 /nfs/dbraw/zinc/22/95/57/132229557.db2.gz MOTJYLIHRABCOF-GOSISDBHSA-N 1 0 424.467 3.034 50 0 HGAARO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCN(c2ccccn2)CC1 ZINC000007554451 132325013 /nfs/dbraw/zinc/32/50/13/132325013.db2.gz ZBWIXZCTIYQNEP-GOSISDBHSA-N 1 0 421.570 3.220 50 0 HGAARO CSc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)CC2=O)c1 ZINC000007988829 132326703 /nfs/dbraw/zinc/32/67/03/132326703.db2.gz TXSQXJHTURZQCC-QGZVFWFLSA-N 1 0 424.570 3.152 50 0 HGAARO O=C(CCCc1ccccc1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697953 132350004 /nfs/dbraw/zinc/35/00/04/132350004.db2.gz QWAXFYUWDLAVDP-UHFFFAOYSA-N 1 0 402.502 3.287 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)NC(=O)OCc3ccccc3)cc2)CC1 ZINC000011952463 132352531 /nfs/dbraw/zinc/35/25/31/132352531.db2.gz JAWZWOPQBCMXRT-SFHVURJKSA-N 1 0 410.518 3.082 50 0 HGAARO CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)s1 ZINC000012076360 132353525 /nfs/dbraw/zinc/35/35/25/132353525.db2.gz LBYPOLHQIKVTSA-FGZHOGPDSA-N 1 0 414.619 3.099 50 0 HGAARO Cc1ccnc(N2CCC[C@@H](C(=O)NCC3CC[NH+](Cc4ccccc4C)CC3)C2)n1 ZINC000035454367 132802016 /nfs/dbraw/zinc/80/20/16/132802016.db2.gz QJMGBXLCMNZSNA-HSZRJFAPSA-N 1 0 421.589 3.338 50 0 HGAARO CC(C)=CC[N@@H+]1CCN(Cc2cc(F)ccc2-n2nc(C)cc2C)C[C@@H]1CCO ZINC000020536738 519427352 /nfs/dbraw/zinc/42/73/52/519427352.db2.gz ZCALLCIWRUSRJN-QFIPXVFZSA-N 1 0 400.542 3.463 50 0 HGAARO CC(C)N1C[C@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000032565426 519697908 /nfs/dbraw/zinc/69/79/08/519697908.db2.gz XDQGZZZBRAJUPA-IRLDBZIGSA-N 1 0 401.501 3.265 50 0 HGAARO CCCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000032923879 520940804 /nfs/dbraw/zinc/94/08/04/520940804.db2.gz GGSMGMCKJLCHMP-OAQYLSRUSA-N 1 0 415.559 3.233 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3COc4ccccc4O3)cc2C)CC1 ZINC000031027439 521699032 /nfs/dbraw/zinc/69/90/32/521699032.db2.gz KXAHHTNENQWOGI-LJQANCHMSA-N 1 0 410.518 3.098 50 0 HGAARO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2N2CCCCC2)cc1 ZINC000032843149 522146365 /nfs/dbraw/zinc/14/63/65/522146365.db2.gz GJAWODLPEKHSDA-NRFANRHFSA-N 1 0 412.530 3.335 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2CCN(C(=O)C3CC3)CC2)C1 ZINC000048353705 525212892 /nfs/dbraw/zinc/21/28/92/525212892.db2.gz LKLDGJMYDREKQK-RTBURBONSA-N 1 0 411.590 3.429 50 0 HGAARO Cc1cc(NC(=O)[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccccc2)no1 ZINC000032899562 525214491 /nfs/dbraw/zinc/21/44/91/525214491.db2.gz UIZSKLILYKGWOI-FQEVSTJZSA-N 1 0 408.458 3.150 50 0 HGAARO COc1ccc([C@H](CNC(=O)CNC(=O)c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000013009101 525356115 /nfs/dbraw/zinc/35/61/15/525356115.db2.gz YCDJBSSALFSVAT-FQEVSTJZSA-N 1 0 415.921 3.032 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2cnn(-c3ccccc3)n2)[NH+]2CCCCC2)cc1 ZINC000032674349 525359945 /nfs/dbraw/zinc/35/99/45/525359945.db2.gz GKDGTVDHWOVYOR-QFIPXVFZSA-N 1 0 405.502 3.233 50 0 HGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(CN2CCOCC2)c1 ZINC000032109686 525485615 /nfs/dbraw/zinc/48/56/15/525485615.db2.gz ZXRHRWZKTXHWBS-QHCPKHFHSA-N 1 0 407.514 3.252 50 0 biogenic HGAARO Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)NCCC[NH+]3CCCC3)c2cc1C ZINC000032945089 525667980 /nfs/dbraw/zinc/66/79/80/525667980.db2.gz PBPHFEFEHDSTGS-OAHLLOKOSA-N 1 0 424.467 3.195 50 0 HGAARO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1NS(C)(=O)=O ZINC000032908895 526187807 /nfs/dbraw/zinc/18/78/07/526187807.db2.gz NOTAVKXQPDWJCH-UHFFFAOYSA-N 1 0 415.559 3.282 50 0 HGAARO Cc1csc(=O)n1CCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048353694 526308257 /nfs/dbraw/zinc/30/82/57/526308257.db2.gz LGIIMXNWEOVPLT-IRXDYDNUSA-N 1 0 401.576 3.403 50 0 HGAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000020599065 526393873 /nfs/dbraw/zinc/39/38/73/526393873.db2.gz MVIUATFRFQPZTK-UHFFFAOYSA-N 1 0 416.525 3.481 50 0 HGAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000032762786 526582109 /nfs/dbraw/zinc/58/21/09/526582109.db2.gz PMJFJLCOQNEHQS-RTBURBONSA-N 1 0 413.543 3.433 50 0 HGAARO CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1N1CC[NH2+]CC1 ZINC000002413313 534944031 /nfs/dbraw/zinc/94/40/31/534944031.db2.gz NJQMPMXJDCTVOO-UHFFFAOYSA-N 1 0 424.574 3.101 50 0 HGAARO Cc1ccc(N(C[C@H](O)C[NH+]2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000864216 557105187 /nfs/dbraw/zinc/10/51/87/557105187.db2.gz XFZZBBILBJGSKP-OAQYLSRUSA-N 1 0 402.560 3.346 50 0 HGAARO Cc1c(C(=O)NC2CCCCC2)nnn1-c1cccc2c1CC[N@@H+](C1CCOCC1)C2 ZINC000071890365 557314980 /nfs/dbraw/zinc/31/49/80/557314980.db2.gz JMWSGLXEGVINAV-UHFFFAOYSA-N 1 0 423.561 3.175 50 0 HGAARO Cc1cc([C@H]2C[C@H](C(=O)NCC[NH+](C)C)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715481 557429002 /nfs/dbraw/zinc/42/90/02/557429002.db2.gz AJUCGIIGBBADAM-SFTDATJTSA-N 1 0 411.521 3.058 50 0 HGAARO Cc1ccccc1-n1nc(C(=O)NC2CC[NH+](C)CC2)nc1CCc1ccccc1 ZINC000034911936 557478409 /nfs/dbraw/zinc/47/84/09/557478409.db2.gz LLTXVKFSHBKPSC-UHFFFAOYSA-N 1 0 403.530 3.185 50 0 HGAARO COc1ccccc1C(=O)N1CCC([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000034912201 557486882 /nfs/dbraw/zinc/48/68/82/557486882.db2.gz INZWLNFWDMRVFT-UHFFFAOYSA-N 1 0 413.562 3.024 50 0 HGAARO Cc1ccc(OC[C@@H](O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=N)cc1 ZINC000004082732 557511007 /nfs/dbraw/zinc/51/10/07/557511007.db2.gz QMQZDGQMFWZYJI-FQEVSTJZSA-N 1 0 408.546 3.156 50 0 HGAARO COc1ccccc1C[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000004599922 557571186 /nfs/dbraw/zinc/57/11/86/557571186.db2.gz VUBAPHQFDYEUCD-UHFFFAOYSA-N 1 0 407.558 3.252 50 0 HGAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c2cccs2)CC1 ZINC000022681416 557765606 /nfs/dbraw/zinc/76/56/06/557765606.db2.gz FETKMTGICLBWTO-GOSISDBHSA-N 1 0 411.527 3.177 50 0 HGAARO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CC[NH+](C)CC2)cc1 ZINC000022698261 557794187 /nfs/dbraw/zinc/79/41/87/557794187.db2.gz BBPCEGKWDKMPOC-QHCPKHFHSA-N 1 0 407.514 3.149 50 0 HGAARO O=C1CCCN1c1ccc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000008745724 557805010 /nfs/dbraw/zinc/80/50/10/557805010.db2.gz VRRGMVLEQVXQEW-UHFFFAOYSA-N 1 0 419.591 3.281 50 0 HGAARO COc1ccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022794027 557821912 /nfs/dbraw/zinc/82/19/12/557821912.db2.gz CNKLTMHYMOLFTA-FQEVSTJZSA-N 1 0 402.926 3.459 50 0 HGAARO CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CC[NH+](CC)CC1 ZINC000022862913 557843398 /nfs/dbraw/zinc/84/33/98/557843398.db2.gz INIUPNNASQSQTC-UHFFFAOYSA-N 1 0 407.561 3.229 50 0 HGAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)CSc2ncccn2)Cc2ccccc2C1 ZINC000019743074 558263547 /nfs/dbraw/zinc/26/35/47/558263547.db2.gz NUNHZDOFXIUPDO-UHFFFAOYSA-N 1 0 418.566 3.355 50 0 HGAARO O=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)N1CC[NH+](CC2CC2)CC1 ZINC000019744425 558264691 /nfs/dbraw/zinc/26/46/91/558264691.db2.gz TXVBJRWRPNOJDE-UHFFFAOYSA-N 1 0 422.451 3.166 50 0 HGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)Cc1cn2ccsc2n1 ZINC000011664251 558267876 /nfs/dbraw/zinc/26/78/76/558267876.db2.gz ABXWNVUPFXNKNI-SFHVURJKSA-N 1 0 414.550 3.491 50 0 HGAARO CCOc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCOCC4)CC3)c(C)o2)cc1 ZINC000011813801 558278315 /nfs/dbraw/zinc/27/83/15/558278315.db2.gz HLQYINAMXNSGPN-UHFFFAOYSA-N 1 0 413.518 3.120 50 0 HGAARO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccccc2C)CC3)c(C)c1 ZINC000011815088 558278992 /nfs/dbraw/zinc/27/89/92/558278992.db2.gz MURMDZKBIYTIAG-UHFFFAOYSA-N 1 0 417.557 3.234 50 0 HGAARO COc1cc(CN(C)Cc2ccon2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011816276 558279474 /nfs/dbraw/zinc/27/94/74/558279474.db2.gz CGLGUIOPILZKOA-OAQYLSRUSA-N 1 0 417.550 3.319 50 0 HGAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cc3ccccc3s1)CC2)c1ccoc1 ZINC000019771793 558280318 /nfs/dbraw/zinc/28/03/18/558280318.db2.gz IXXWUZQCFISKME-UHFFFAOYSA-N 1 0 421.526 3.117 50 0 HGAARO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](C3CCN(c4ccccc4C)CC3)C2)CC1 ZINC000019789973 558282149 /nfs/dbraw/zinc/28/21/49/558282149.db2.gz VHBOTPHJYQYDNJ-QFIPXVFZSA-N 1 0 414.594 3.202 50 0 HGAARO COCCCN(C(=O)c1ccc(-c2cccs2)nc1N(C)C)C1CC[NH+](C)CC1 ZINC000011872759 558290729 /nfs/dbraw/zinc/29/07/29/558290729.db2.gz KDBLGPJQUZFVLQ-UHFFFAOYSA-N 1 0 416.591 3.449 50 0 HGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CCCCC1=O ZINC000011878783 558293401 /nfs/dbraw/zinc/29/34/01/558293401.db2.gz TVZUQEMBMGSTET-HXUWFJFHSA-N 1 0 419.997 3.456 50 0 HGAARO CCCCn1c(CN2CC[N@@H+]3CCC[C@@H]3C2)cnc1S(=O)(=O)CCCC(C)C ZINC000019838981 558293453 /nfs/dbraw/zinc/29/34/53/558293453.db2.gz HJWUOWOJVORFEB-LJQANCHMSA-N 1 0 410.628 3.173 50 0 HGAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(F)cc2)cc1 ZINC000019860437 558297706 /nfs/dbraw/zinc/29/77/06/558297706.db2.gz FSGNEBCHSHLZSZ-UHFFFAOYSA-N 1 0 414.502 3.384 50 0 HGAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccc(OCCO)cc3)CC2)O1)c1ccccc1 ZINC000011970499 558304673 /nfs/dbraw/zinc/30/46/73/558304673.db2.gz NBMZMQXMFFIKDZ-QHCPKHFHSA-N 1 0 424.541 3.001 50 0 HGAARO COc1ccc(/C=C/C[NH+]2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)cc1 ZINC000012049449 558313497 /nfs/dbraw/zinc/31/34/97/558313497.db2.gz RLCBFPICNDFKLA-PHXNAMCJSA-N 1 0 410.518 3.217 50 0 HGAARO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(C)c(Cl)c3)CC2)cc1 ZINC000020029110 558323377 /nfs/dbraw/zinc/32/33/77/558323377.db2.gz LRCCOUAEYZWLSU-FQEVSTJZSA-N 1 0 417.937 3.169 50 0 HGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)[C@H]1CC(C(C)C)=NO1 ZINC000012093063 558324732 /nfs/dbraw/zinc/32/47/32/558324732.db2.gz QGIDJXUVUSZWDU-JOCHJYFZSA-N 1 0 419.541 3.314 50 0 HGAARO COC(=O)c1ccc(-c2noc(CN(C)C[C@H]3Cc4ccccc4C[N@@H+]3C)n2)cc1 ZINC000020272800 558353199 /nfs/dbraw/zinc/35/31/99/558353199.db2.gz GMCWQRSXSBXFBW-HXUWFJFHSA-N 1 0 406.486 3.012 50 0 HGAARO COC(=O)c1ccc(-c2noc(CN(C)C[C@@H]3Cc4ccccc4C[N@@H+]3C)n2)cc1 ZINC000020272798 558353205 /nfs/dbraw/zinc/35/32/05/558353205.db2.gz GMCWQRSXSBXFBW-FQEVSTJZSA-N 1 0 406.486 3.012 50 0 HGAARO CC(C)C(=O)NC[C@@H]1CCC2(CC[NH+](C[C@H](C)Cc3ccc4c(c3)OCO4)CC2)O1 ZINC000012245846 558361561 /nfs/dbraw/zinc/36/15/61/558361561.db2.gz SVUBMDQQQXWQFY-QUCCMNQESA-N 1 0 416.562 3.380 50 0 HGAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1cn2ccsc2n1 ZINC000012246469 558361725 /nfs/dbraw/zinc/36/17/25/558361725.db2.gz MRFWTRWCPSUEGH-KRWDZBQOSA-N 1 0 402.495 3.085 50 0 HGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1)c1[nH]nc2ccccc21 ZINC000012299667 558369478 /nfs/dbraw/zinc/36/94/78/558369478.db2.gz ZWJVODOORMDZFY-OAHLLOKOSA-N 1 0 406.515 3.210 50 0 HGAARO O=C(c1cnc2ccccn2c1=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012302716 558372300 /nfs/dbraw/zinc/37/23/00/558372300.db2.gz HIXLVIPWMXJFGU-XMMPIXPASA-N 1 0 408.546 3.203 50 0 HGAARO Cc1nnc(SCC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)s1 ZINC000012315053 558378654 /nfs/dbraw/zinc/37/86/54/558378654.db2.gz GBSCSQFFUIHVGA-QGZVFWFLSA-N 1 0 422.595 3.491 50 0 HGAARO Cc1nccn1CCC[NH2+]Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000012316870 558380306 /nfs/dbraw/zinc/38/03/06/558380306.db2.gz KOMKZIGZOXCTCY-UHFFFAOYSA-N 1 0 408.550 3.344 50 0 HGAARO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cccn2-c2ccccn2)C1 ZINC000012318951 558381724 /nfs/dbraw/zinc/38/17/24/558381724.db2.gz PTQKDRJDTOQMAI-NRFANRHFSA-N 1 0 424.570 3.204 50 0 HGAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012385713 558394493 /nfs/dbraw/zinc/39/44/93/558394493.db2.gz TUIPFHWJBFNXSB-QFIPXVFZSA-N 1 0 423.532 3.477 50 0 HGAARO CN(CCC[NH+]1CCCCCC1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012429311 558404202 /nfs/dbraw/zinc/40/42/02/558404202.db2.gz YMLOLFHEOUYHMS-HXUWFJFHSA-N 1 0 403.542 3.289 50 0 HGAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)Cn2cncn2)c(F)c1 ZINC000012431626 558406278 /nfs/dbraw/zinc/40/62/78/558406278.db2.gz XPPFNTRQPDYWGI-INIZCTEOSA-N 1 0 406.465 3.457 50 0 HGAARO COc1ccccc1-n1cc(C(=O)N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000012439135 558410573 /nfs/dbraw/zinc/41/05/73/558410573.db2.gz WVPMMJRBOAYFQN-NRFANRHFSA-N 1 0 416.525 3.243 50 0 HGAARO Cc1nc(CC[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)nc2c1CCCC2 ZINC000020781903 558412828 /nfs/dbraw/zinc/41/28/28/558412828.db2.gz CMZCWFXCBOIQSY-UHFFFAOYSA-N 1 0 419.529 3.168 50 0 HGAARO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000020821114 558416823 /nfs/dbraw/zinc/41/68/23/558416823.db2.gz YDAMUOHQJMNNKT-UHFFFAOYSA-N 1 0 411.937 3.448 50 0 HGAARO COc1cc(CNCc2nc3ccccc3o2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012466530 558420450 /nfs/dbraw/zinc/42/04/50/558420450.db2.gz VDHOCFCINJFZRG-GOSISDBHSA-N 1 0 413.518 3.206 50 0 HGAARO CCN1CCC([NH2+][C@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc4ccccc4c3)C2)CC1 ZINC000020910759 558422086 /nfs/dbraw/zinc/42/20/86/558422086.db2.gz UOGHEPQIELAUSZ-DQEYMECFSA-N 1 0 422.617 3.381 50 0 HGAARO Cc1cc(N2CCCN(C(=O)[C@H]3CCC(=O)N(CC4CCCCC4)C3)CC2)cc[nH+]1 ZINC000012480266 558423415 /nfs/dbraw/zinc/42/34/15/558423415.db2.gz RQNXXVZNCCVPER-NRFANRHFSA-N 1 0 412.578 3.248 50 0 HGAARO CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000004337870 558423521 /nfs/dbraw/zinc/42/35/21/558423521.db2.gz IJHXCWYYZGJBJH-HXUWFJFHSA-N 1 0 410.445 3.438 50 0 HGAARO COc1cc(CN(C)Cc2csc(C)n2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012747420 558458384 /nfs/dbraw/zinc/45/83/84/558458384.db2.gz BKACSJBVKTVJKP-LJQANCHMSA-N 1 0 407.580 3.172 50 0 HGAARO COc1cc(C(=O)NCc2cnn(C)c2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012746648 558458441 /nfs/dbraw/zinc/45/84/41/558458441.db2.gz QHIUCNHPXIADSR-UHFFFAOYSA-N 1 0 412.534 3.145 50 0 HGAARO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000022029730 558459007 /nfs/dbraw/zinc/45/90/07/558459007.db2.gz RSTCGKXBBFMXMS-KRWDZBQOSA-N 1 0 403.548 3.373 50 0 HGAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000013009297 558502795 /nfs/dbraw/zinc/50/27/95/558502795.db2.gz WHNUOFULFYUECP-LBPRGKRZSA-N 1 0 401.276 3.192 50 0 HGAARO O=C1NC2(CCCC2)C(=O)N1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022940715 558527791 /nfs/dbraw/zinc/52/77/91/558527791.db2.gz QAKNEVMCQFUGNT-UHFFFAOYSA-N 1 0 418.541 3.216 50 0 HGAARO Cc1c(O)ccc2c(C[NH+]3CCC(NC(=O)c4ccc(F)cc4)CC3)cc(=O)oc12 ZINC000023147547 558538604 /nfs/dbraw/zinc/53/86/04/558538604.db2.gz HADJXDQBIRUPTJ-UHFFFAOYSA-N 1 0 410.445 3.341 50 0 HGAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)c1 ZINC000013596359 558547142 /nfs/dbraw/zinc/54/71/42/558547142.db2.gz KZFSKBBILKNKIG-GOSISDBHSA-N 1 0 405.498 3.230 50 0 HGAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)CN1C/C=C/c1ccccc1 ZINC000023358642 558551339 /nfs/dbraw/zinc/55/13/39/558551339.db2.gz BGXBXMDBSQBTMX-FPOFXPNQSA-N 1 0 403.570 3.424 50 0 HGAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCN2CCOCC2)cc1 ZINC000023360202 558551781 /nfs/dbraw/zinc/55/17/81/558551781.db2.gz MOPXEJUOYBUKGP-UHFFFAOYSA-N 1 0 410.493 3.109 50 0 HGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)cc1C ZINC000023361074 558552209 /nfs/dbraw/zinc/55/22/09/558552209.db2.gz UEPUXPSMKRFOKD-DEOSSOPVSA-N 1 0 420.557 3.258 50 0 HGAARO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCC3)c2)cc1 ZINC000013647561 558557271 /nfs/dbraw/zinc/55/72/71/558557271.db2.gz PUNWFPPUGXYCPQ-UHFFFAOYSA-N 1 0 401.532 3.012 50 0 HGAARO CCc1[nH]c(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c(C)c1C(=O)OC ZINC000023487095 558559990 /nfs/dbraw/zinc/55/99/90/558559990.db2.gz OSJLVFINIDTHAH-IBGZPJMESA-N 1 0 413.518 3.248 50 0 HGAARO C[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3OCc3ccccc3)cn2)CC1 ZINC000024193276 558591497 /nfs/dbraw/zinc/59/14/97/558591497.db2.gz GBRJHCUUTJASMA-UHFFFAOYSA-N 1 0 416.525 3.342 50 0 HGAARO COc1ccc(-c2c[n+](CCCN3C(=O)c4ccccc4C3=O)c3n2CCC3)cc1 ZINC000013786731 558593571 /nfs/dbraw/zinc/59/35/71/558593571.db2.gz MAIUQJGSOHSATI-UHFFFAOYSA-N 1 0 402.474 3.084 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2ccccc2N2CCCC2=O)[NH+]2CCCC2)cc1 ZINC000014118079 558621845 /nfs/dbraw/zinc/62/18/45/558621845.db2.gz DAVIYYSHNDIXCB-JOCHJYFZSA-N 1 0 407.514 3.389 50 0 HGAARO Cc1cccc(C(=O)NCCC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1 ZINC000024991985 558626281 /nfs/dbraw/zinc/62/62/81/558626281.db2.gz SFXAXQYZWOSXRM-UHFFFAOYSA-N 1 0 414.937 3.159 50 0 HGAARO CC(=O)c1ccc(N2CCN(Cn3nc(C[NH+]4CCCCC4)oc3=S)CC2)cc1 ZINC000025046579 558627974 /nfs/dbraw/zinc/62/79/74/558627974.db2.gz QIMFBSWTSODKTD-UHFFFAOYSA-N 1 0 415.563 3.174 50 0 HGAARO COC(=O)c1sc(NC(=O)CC[N@H+](C)Cc2cccs2)c(C(=O)OC)c1C ZINC000014197341 558634013 /nfs/dbraw/zinc/63/40/13/558634013.db2.gz HUKJGCUTRMRFBV-UHFFFAOYSA-N 1 0 410.517 3.152 50 0 HGAARO Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000025631775 558646300 /nfs/dbraw/zinc/64/63/00/558646300.db2.gz NIZIJRSVMISBIE-FQEVSTJZSA-N 1 0 419.569 3.410 50 0 HGAARO Cc1nc(-c2ccccn2)sc1C(=O)NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000026154145 558656573 /nfs/dbraw/zinc/65/65/73/558656573.db2.gz QQXLUWPQQHABGD-HXUWFJFHSA-N 1 0 421.570 3.232 50 0 HGAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000014535038 558657801 /nfs/dbraw/zinc/65/78/01/558657801.db2.gz OGNPFZKYVIDXEQ-OAQYLSRUSA-N 1 0 418.516 3.405 50 0 HGAARO Cc1ccc(F)cc1C[NH2+][C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000014536054 558658222 /nfs/dbraw/zinc/65/82/22/558658222.db2.gz AOWAEPKRSLLAFH-GOSISDBHSA-N 1 0 410.493 3.380 50 0 HGAARO Cc1ccc(CN2C[C@@H](C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000026355981 558659472 /nfs/dbraw/zinc/65/94/72/558659472.db2.gz HJDZEAWDUZZLHN-QHCPKHFHSA-N 1 0 405.542 3.078 50 0 HGAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014732604 558665890 /nfs/dbraw/zinc/66/58/90/558665890.db2.gz VZJHJKKPMOQIEK-LJQANCHMSA-N 1 0 418.541 3.383 50 0 HGAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014732603 558665909 /nfs/dbraw/zinc/66/59/09/558665909.db2.gz VZJHJKKPMOQIEK-IBGZPJMESA-N 1 0 418.541 3.383 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(C)c(C)c3)c(C)c2)CC1 ZINC000026908601 558666810 /nfs/dbraw/zinc/66/68/10/558666810.db2.gz HRPCFHDZMGGYDQ-UHFFFAOYSA-N 1 0 408.546 3.122 50 0 HGAARO O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000027064398 558669291 /nfs/dbraw/zinc/66/92/91/558669291.db2.gz ZHHMPBLJYLSYER-UHFFFAOYSA-N 1 0 400.906 3.435 50 0 HGAARO CC(C)N1C[C@@H](OCc2ccc(F)cc2)CN(C2CC[NH+](C(C)C)CC2)CC1=O ZINC000014753158 558671357 /nfs/dbraw/zinc/67/13/57/558671357.db2.gz OIJPHFDKKBJJRI-QFIPXVFZSA-N 1 0 405.558 3.136 50 0 HGAARO Cc1cccc(C)c1OCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000027793246 558682642 /nfs/dbraw/zinc/68/26/42/558682642.db2.gz VSDNSRRDXDESDD-NRFANRHFSA-N 1 0 415.965 3.441 50 0 HGAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)Cn1cccn1 ZINC000014965616 558685644 /nfs/dbraw/zinc/68/56/44/558685644.db2.gz POHLASJYSOXEDC-GOSISDBHSA-N 1 0 408.468 3.315 50 0 HGAARO CC1(C)C[C@H](NC(=O)c2ccc(C[N@H+]3CC=C(c4ccccc4)CC3)[nH]c2=O)CCO1 ZINC000014997652 558696659 /nfs/dbraw/zinc/69/66/59/558696659.db2.gz JKZWXJRTRKUVNM-HXUWFJFHSA-N 1 0 421.541 3.352 50 0 HGAARO Cc1ccc(Cc2cnc(NC(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)s2)cc1 ZINC000072274559 558699750 /nfs/dbraw/zinc/69/97/50/558699750.db2.gz DQVNGNMPENKOCZ-QGZVFWFLSA-N 1 0 401.580 3.047 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCC[C@H](O)C2)c1 ZINC000015063076 558705585 /nfs/dbraw/zinc/70/55/85/558705585.db2.gz WLZCXJKZOCVYOQ-SFHVURJKSA-N 1 0 402.535 3.078 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCc2nccn2C)c1 ZINC000015065100 558708146 /nfs/dbraw/zinc/70/81/46/558708146.db2.gz JBVSFRDDYMJCCU-UHFFFAOYSA-N 1 0 412.534 3.145 50 0 HGAARO COc1cc(CNCc2cc(C(C)C)no2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000015070564 558712548 /nfs/dbraw/zinc/71/25/48/558712548.db2.gz CXKCRSYXFAKIBL-GOSISDBHSA-N 1 0 405.539 3.176 50 0 HGAARO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000015075706 558716114 /nfs/dbraw/zinc/71/61/14/558716114.db2.gz HZKFIBUKKRYWGY-UHFFFAOYSA-N 1 0 410.537 3.214 50 0 HGAARO CC(C)[NH+](CCNC(=O)c1[nH]nc2ccc(I)cc21)C(C)C ZINC000072302730 558755356 /nfs/dbraw/zinc/75/53/56/558755356.db2.gz TUBAZVATZXSPDI-UHFFFAOYSA-N 1 0 414.291 3.016 50 0 HGAARO COC(=O)CC[N@H+](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000072304875 558757522 /nfs/dbraw/zinc/75/75/22/558757522.db2.gz GRPJZMMULDTTPN-PMACEKPBSA-N 1 0 422.566 3.004 50 0 HGAARO C[NH+](C)CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(N)=O)cc3)cc2)CC1 ZINC000072310369 558777029 /nfs/dbraw/zinc/77/70/29/558777029.db2.gz NYABIUHISZTOQD-LFYBBSHMSA-N 1 0 406.530 3.215 50 0 HGAARO CC(C)(CNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)[NH+]1CCCCC1 ZINC000016224462 558779536 /nfs/dbraw/zinc/77/95/36/558779536.db2.gz MGRWYGSBISEEFP-UHFFFAOYSA-N 1 0 416.591 3.108 50 0 HGAARO O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016606572 558796595 /nfs/dbraw/zinc/79/65/95/558796595.db2.gz JIKUIGLOLMTYJV-NRFANRHFSA-N 1 0 421.541 3.446 50 0 HGAARO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Br)cc1 ZINC000018223082 558834315 /nfs/dbraw/zinc/83/43/15/558834315.db2.gz DYUKMAHIKYBHGF-GOSISDBHSA-N 1 0 412.287 3.395 50 0 HGAARO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)c2)s1 ZINC000033022779 558838185 /nfs/dbraw/zinc/83/81/85/558838185.db2.gz TVUOHGVCFQOKMF-OAHLLOKOSA-N 1 0 415.563 3.347 50 0 HGAARO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000067975611 558862541 /nfs/dbraw/zinc/86/25/41/558862541.db2.gz IKWYCGCLKLZZPR-NRFANRHFSA-N 1 0 410.562 3.296 50 0 HGAARO CC(C)(NC(=O)c1cccs1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000055060691 558871326 /nfs/dbraw/zinc/87/13/26/558871326.db2.gz VAIHBOZSMQPQNW-QGZVFWFLSA-N 1 0 403.523 3.349 50 0 HGAARO CCC(C)(C)C(=O)N1CCC2(CC1)Nc1ccccc1N(CC[NH+]1CCCC1)C2=O ZINC000055131504 558873538 /nfs/dbraw/zinc/87/35/38/558873538.db2.gz COWSHAGUPYLTSI-UHFFFAOYSA-N 1 0 412.578 3.338 50 0 HGAARO Cc1c(C(=O)NCc2ccccc2Cl)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048273 558885042 /nfs/dbraw/zinc/88/50/42/558885042.db2.gz OJSPEMOGYKQNSS-UHFFFAOYSA-N 1 0 415.950 3.335 50 0 HGAARO CCc1ccc(CNC(=O)c2sc3ncnc(N4CC[NH+](C)CC4)c3c2C)cc1 ZINC000033048256 558885096 /nfs/dbraw/zinc/88/50/96/558885096.db2.gz KIBVOZFXUQALLC-UHFFFAOYSA-N 1 0 409.559 3.244 50 0 HGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000057997374 558893775 /nfs/dbraw/zinc/89/37/75/558893775.db2.gz FUDHJYVQNMFTPI-HXUWFJFHSA-N 1 0 421.501 3.233 50 0 HGAARO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(CCc2ccccc2)CC1 ZINC000011155770 558893971 /nfs/dbraw/zinc/89/39/71/558893971.db2.gz BWRVUDCKTYQBMK-QGZVFWFLSA-N 1 0 415.559 3.006 50 0 HGAARO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000071278747 558896408 /nfs/dbraw/zinc/89/64/08/558896408.db2.gz BIHVQGPQYMXOCS-RUZDIDTESA-N 1 0 403.526 3.122 50 0 HGAARO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000058147597 558902299 /nfs/dbraw/zinc/90/22/99/558902299.db2.gz CXIZJYGEFJRNDW-LAUBAEHRSA-N 1 0 405.970 3.094 50 0 HGAARO Cc1cc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)no1 ZINC000058172433 558908239 /nfs/dbraw/zinc/90/82/39/558908239.db2.gz KNBHNKXYWQTLNQ-UHFFFAOYSA-N 1 0 406.486 3.323 50 0 HGAARO COc1ccc(NC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000058268944 558915988 /nfs/dbraw/zinc/91/59/88/558915988.db2.gz CHJKYUKYUUWCNN-CXAGYDPISA-N 1 0 401.429 3.336 50 0 HGAARO COc1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000058268943 558916060 /nfs/dbraw/zinc/91/60/60/558916060.db2.gz CHJKYUKYUUWCNN-DYVFJYSZSA-N 1 0 401.429 3.336 50 0 HGAARO Cc1nc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000072117295 558927209 /nfs/dbraw/zinc/92/72/09/558927209.db2.gz GGTXZDBBYDTYCO-UHFFFAOYSA-N 1 0 413.953 3.320 50 0 HGAARO COCCn1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000072401723 558936601 /nfs/dbraw/zinc/93/66/01/558936601.db2.gz UMGMEZFFVZFCFZ-UHFFFAOYSA-N 1 0 419.525 3.042 50 0 HGAARO CC1(C)CC(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)CC(C)(C)[NH2+]1 ZINC000004727540 558984499 /nfs/dbraw/zinc/98/44/99/558984499.db2.gz GWOBVGBHGBCSAY-UHFFFAOYSA-N 1 0 421.541 3.396 50 0 HGAARO COc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000067613826 558989301 /nfs/dbraw/zinc/98/93/01/558989301.db2.gz JZYSSOYTHDWPGW-UHFFFAOYSA-N 1 0 406.486 3.274 50 0 HGAARO CNC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000097165607 558998529 /nfs/dbraw/zinc/99/85/29/558998529.db2.gz PAXTVTCSQVBMRE-ROUUACIJSA-N 1 0 411.550 3.003 50 0 HGAARO CNC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000097165609 558998576 /nfs/dbraw/zinc/99/85/76/558998576.db2.gz PAXTVTCSQVBMRE-MSOLQXFVSA-N 1 0 411.550 3.003 50 0 HGAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000023114555 559012678 /nfs/dbraw/zinc/01/26/78/559012678.db2.gz GRFCCEHKBSRLAQ-PJVWNMJMSA-N 1 0 400.563 3.164 50 0 HGAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082087025 559036833 /nfs/dbraw/zinc/03/68/33/559036833.db2.gz RDOACWGGHICIIJ-QHCPKHFHSA-N 1 0 406.574 3.117 50 0 HGAARO O=C(NCc1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082087901 559037039 /nfs/dbraw/zinc/03/70/39/559037039.db2.gz XMTVOBZSPRCXBN-NRFANRHFSA-N 1 0 410.537 3.214 50 0 HGAARO Cc1cccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)c1 ZINC000082098513 559037863 /nfs/dbraw/zinc/03/78/63/559037863.db2.gz WNXNWELRYVHXBL-QFIPXVFZSA-N 1 0 406.574 3.383 50 0 HGAARO CCc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)nc1 ZINC000082100039 559038087 /nfs/dbraw/zinc/03/80/87/559038087.db2.gz KORZEEMCFFGFJK-JOCHJYFZSA-N 1 0 421.589 3.032 50 0 HGAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)s1 ZINC000082108119 559038617 /nfs/dbraw/zinc/03/86/17/559038617.db2.gz TVJMZIGGPSIEIU-FQEVSTJZSA-N 1 0 412.603 3.444 50 0 HGAARO CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000004784072 559062961 /nfs/dbraw/zinc/06/29/61/559062961.db2.gz WPNVZPZFAHYIAN-UHFFFAOYSA-N 1 0 423.513 3.104 50 0 HGAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc3ncccc3c1)CC2 ZINC000095503383 559082710 /nfs/dbraw/zinc/08/27/10/559082710.db2.gz FPQHWPTZACIPLD-UHFFFAOYSA-N 1 0 401.514 3.244 50 0 HGAARO CC(C)[NH+](CCN1CCN(c2cc(-c3ccccc3)nc3ncnn32)CC1)C(C)C ZINC000023313181 559115971 /nfs/dbraw/zinc/11/59/71/559115971.db2.gz UWQOBCPVLCUSMX-UHFFFAOYSA-N 1 0 407.566 3.032 50 0 HGAARO COc1ccc(OC)c2sc(N(CCC[NH+](C)C)C(=O)c3cc(C)no3)nc21 ZINC000011694238 559188400 /nfs/dbraw/zinc/18/84/00/559188400.db2.gz XAOGCPVYFFQXCC-UHFFFAOYSA-N 1 0 404.492 3.208 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)N3CCC[C@@H]([NH+](C)C)C3)csc2C1 ZINC000426506569 559274581 /nfs/dbraw/zinc/27/45/81/559274581.db2.gz GTNWLTUFHHXCOO-MRXNPFEDSA-N 1 0 402.564 3.077 50 0 HGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1ccc2c(c1)CCO2 ZINC000409414021 560723220 /nfs/dbraw/zinc/72/32/20/560723220.db2.gz HWJWLFOLFFYFBT-FCHUYYIVSA-N 1 0 400.563 3.294 50 0 biogenic HGAARO CCC[NH+]1CCC(NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)CC1 ZINC000051134705 560811698 /nfs/dbraw/zinc/81/16/98/560811698.db2.gz PBZGCJJVZYHUOZ-UHFFFAOYSA-N 1 0 400.491 3.369 50 0 HGAARO COC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104985247 560859114 /nfs/dbraw/zinc/85/91/14/560859114.db2.gz RDOBANNLIZKTNV-ZWKOTPCHSA-N 1 0 406.885 3.482 50 0 HGAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](C[C@@H](O)COC)C[C@@H]1CCCO1 ZINC000104996794 560859303 /nfs/dbraw/zinc/85/93/03/560859303.db2.gz DQQDVKPTKXHOGV-UXHICEINSA-N 1 0 417.550 3.176 50 0 HGAARO Cc1ncsc1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000046777810 560878191 /nfs/dbraw/zinc/87/81/91/560878191.db2.gz YTNKAMLKLFLIDF-UHFFFAOYSA-N 1 0 412.481 3.412 50 0 HGAARO O=C(c1ccccc1)N1C[C@H](C[NH2+]Cc2cc(F)cc3cccnc32)N2CC[C@H]1C2 ZINC000108367026 568418670 /nfs/dbraw/zinc/41/86/70/568418670.db2.gz UHSOGWXCDGWBTE-VXKWHMMOSA-N 1 0 404.489 3.062 50 0 HGAARO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000108929076 568420221 /nfs/dbraw/zinc/42/02/21/568420221.db2.gz WOVUWEXTIHITJF-KZNAEPCWSA-N 1 0 407.580 3.166 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC000048310881 568436759 /nfs/dbraw/zinc/43/67/59/568436759.db2.gz DWGDDUAHLDNZPL-ROUUACIJSA-N 1 0 414.571 3.498 50 0 HGAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000048341330 568440381 /nfs/dbraw/zinc/44/03/81/568440381.db2.gz WDPRJRVCWYHJSM-QZTJIDSGSA-N 1 0 414.571 3.498 50 0 HGAARO CCCC[N@H+](CC)CCNC(=O)c1ccc(C[S@@](=O)c2ccc(OC)cc2)o1 ZINC000006895626 568463298 /nfs/dbraw/zinc/46/32/98/568463298.db2.gz UGJYXBNEQATXKI-NDEPHWFRSA-N 1 0 406.548 3.448 50 0 HGAARO CC(C)(CN1CC[NH+](Cc2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000021487228 568463463 /nfs/dbraw/zinc/46/34/63/568463463.db2.gz LNFPVLUKRXBVRI-UHFFFAOYSA-N 1 0 421.994 3.215 50 0 HGAARO Cc1cc(=O)c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)nn1-c1ccc(Cl)cc1 ZINC000007240726 568476834 /nfs/dbraw/zinc/47/68/34/568476834.db2.gz WRJHDYFWPYOREP-HNNXBMFYSA-N 1 0 402.926 3.189 50 0 HGAARO CCCN(CCC)S(=O)(=O)c1cccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000022989517 568500940 /nfs/dbraw/zinc/50/09/40/568500940.db2.gz CQCFZXILQIBFCQ-UHFFFAOYSA-N 1 0 409.596 3.100 50 0 HGAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12 ZINC000020114393 568589465 /nfs/dbraw/zinc/58/94/65/568589465.db2.gz AGIAQXNCZZGFLH-UHFFFAOYSA-N 1 0 404.470 3.276 50 0 HGAARO CC1(C)CN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000095351031 568600917 /nfs/dbraw/zinc/60/09/17/568600917.db2.gz UQOYOEOKYFBYGE-UHFFFAOYSA-N 1 0 415.484 3.208 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cccc(CS(C)(=O)=O)c2)C1 ZINC000040107130 568622929 /nfs/dbraw/zinc/62/29/29/568622929.db2.gz QHUDVLHGBNRCOV-SFHVURJKSA-N 1 0 414.571 3.393 50 0 HGAARO O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)NCCC[NH+]1CCCC1 ZINC000020730690 568640886 /nfs/dbraw/zinc/64/08/86/568640886.db2.gz ZMFYNBBXCQFCKC-CJLVFECKSA-N 1 0 423.488 3.194 50 0 HGAARO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000095941234 568662169 /nfs/dbraw/zinc/66/21/69/568662169.db2.gz SSZRIIYEEQRPCW-OCCSQVGLSA-N 1 0 405.848 3.448 50 0 HGAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)C1 ZINC000021148192 568672172 /nfs/dbraw/zinc/67/21/72/568672172.db2.gz TUQGSJCJHVPFTB-XXBNENTESA-N 1 0 405.542 3.496 50 0 HGAARO C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013571 568685433 /nfs/dbraw/zinc/68/54/33/568685433.db2.gz CZBNFNZDZMBRRF-XXBNENTESA-N 1 0 420.513 3.388 50 0 HGAARO O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCCC[NH+]1CCCCC1 ZINC000021540198 568713450 /nfs/dbraw/zinc/71/34/50/568713450.db2.gz JLMCMAQJWAQDGK-UHFFFAOYSA-N 1 0 410.543 3.185 50 0 HGAARO CCOC(=O)c1c(NC(=O)CN2CC[NH+](CC)CC2)sc(C)c1-c1ccccc1 ZINC000021548825 568714024 /nfs/dbraw/zinc/71/40/24/568714024.db2.gz RYMJIBBCRFSQIA-UHFFFAOYSA-N 1 0 415.559 3.476 50 0 HGAARO O[C@H](C[NH2+]C[C@H](c1cccs1)N1CCOCC1)CO[C@@H]1CCCc2ccccc21 ZINC000229654791 568714921 /nfs/dbraw/zinc/71/49/21/568714921.db2.gz OLYKVYHNIWOIIW-CEMLEFRQSA-N 1 0 416.587 3.166 50 0 HGAARO Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000096357119 568738514 /nfs/dbraw/zinc/73/85/14/568738514.db2.gz PMMYLTHCZYKFLS-UHFFFAOYSA-N 1 0 402.564 3.128 50 0 HGAARO CCOC(=O)C1=C(C[NH2+][C@@H](C)CCc2ccccc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000085993823 568745060 /nfs/dbraw/zinc/74/50/60/568745060.db2.gz SLDFDPJKNPNUES-HTAPYJJXSA-N 1 0 407.514 3.469 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000021938250 568762890 /nfs/dbraw/zinc/76/28/90/568762890.db2.gz LJOSADWNJDCBPI-QHCPKHFHSA-N 1 0 418.541 3.392 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1ccsc1 ZINC000025328876 568763270 /nfs/dbraw/zinc/76/32/70/568763270.db2.gz YCUDPMPNNWOAER-IBGZPJMESA-N 1 0 410.543 3.217 50 0 HGAARO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F ZINC000097165331 568769585 /nfs/dbraw/zinc/76/95/85/568769585.db2.gz UYRPIEQFMVTQOZ-INIZCTEOSA-N 1 0 422.522 3.048 50 0 HGAARO COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000022573385 568769849 /nfs/dbraw/zinc/76/98/49/568769849.db2.gz YONNLLULYFWHBW-SFHVURJKSA-N 1 0 410.436 3.276 50 0 HGAARO O=C(CCc1nc2cc(Br)cnc2[nH]1)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230000070 568801256 /nfs/dbraw/zinc/80/12/56/568801256.db2.gz HDCXFIQASNQSDD-CJNGLKHVSA-N 1 0 420.355 3.034 50 0 HGAARO COC(=O)[C@@H]1C(=O)O[C@]2(C)C[N@@H+](Cc3ccccc3)[C@@H](c3ccccc3OC)C[C@@H]12 ZINC000230055487 568805330 /nfs/dbraw/zinc/80/53/30/568805330.db2.gz HEUNBANUVDXSGE-YWQGAKJTSA-N 1 0 409.482 3.363 50 0 HGAARO CC[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000057200908 568824927 /nfs/dbraw/zinc/82/49/27/568824927.db2.gz IWVDXHPSKNZAGG-OAHLLOKOSA-N 1 0 409.372 3.059 50 0 HGAARO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000057318554 568826894 /nfs/dbraw/zinc/82/68/94/568826894.db2.gz XFKKXSUFTOUBAX-SFHVURJKSA-N 1 0 415.559 3.459 50 0 HGAARO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000057318555 568826918 /nfs/dbraw/zinc/82/69/18/568826918.db2.gz XFKKXSUFTOUBAX-GOSISDBHSA-N 1 0 415.559 3.459 50 0 HGAARO COc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)[nH]n2)c(OC)c1 ZINC000057477413 568839547 /nfs/dbraw/zinc/83/95/47/568839547.db2.gz LKCHEDNJOQDNRE-UHFFFAOYSA-N 1 0 420.513 3.272 50 0 HGAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000012542110 568848791 /nfs/dbraw/zinc/84/87/91/568848791.db2.gz YCHDPIOGZBQRQP-IBGZPJMESA-N 1 0 412.559 3.052 50 0 HGAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000230223581 568855988 /nfs/dbraw/zinc/85/59/88/568855988.db2.gz PIMGUNZFOKZYQU-OAGGEKHMSA-N 1 0 422.367 3.039 50 0 HGAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000299760155 568873040 /nfs/dbraw/zinc/87/30/40/568873040.db2.gz NZAUDVLSHWVXQT-JOCHJYFZSA-N 1 0 416.468 3.236 50 0 HGAARO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCCCCC1)NC[C@@H]1CCCO1 ZINC000299768300 568873960 /nfs/dbraw/zinc/87/39/60/568873960.db2.gz JSCGMXKFXNTMSD-NRFANRHFSA-N 1 0 424.545 3.194 50 0 HGAARO CCCCOc1ccccc1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670436570 568874259 /nfs/dbraw/zinc/87/42/59/568874259.db2.gz DJIZPFOKTIFPGW-REXMIWGRSA-N 1 0 419.569 3.163 50 0 HGAARO CC[NH+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003657823 568923075 /nfs/dbraw/zinc/92/30/75/568923075.db2.gz KXHYPMZPRLGFQF-PKTZIBPZSA-N 1 0 423.557 3.454 50 0 HGAARO CCC[NH+](CCC)CCNC(=O)C[S@](=O)Cc1nc(-c2ccc(C)cc2)oc1C ZINC000004079761 568938946 /nfs/dbraw/zinc/93/89/46/568938946.db2.gz KDORMSBCTJFZBI-LJAQVGFWSA-N 1 0 419.591 3.445 50 0 HGAARO O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccc(F)c(F)c1 ZINC000012762798 568946428 /nfs/dbraw/zinc/94/64/28/568946428.db2.gz OZWZHDFXQHQVNX-UHFFFAOYSA-N 1 0 403.429 3.350 50 0 HGAARO CC[N@H+](CCNC(=O)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1)C1CC1 ZINC000084774749 568959295 /nfs/dbraw/zinc/95/92/95/568959295.db2.gz GSVUDIWXBCHNOF-UHFFFAOYSA-N 1 0 411.550 3.017 50 0 HGAARO CC[NH+](CC)CCCn1c(S[C@H](C)C(=O)NC(C)C)nc2ccccc2c1=O ZINC000008247135 568985164 /nfs/dbraw/zinc/98/51/64/568985164.db2.gz KELXTSJOFIXTRQ-MRXNPFEDSA-N 1 0 404.580 3.134 50 0 HGAARO Cc1ccccc1C[N@H+]1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@H]1CCO ZINC000104365623 569008373 /nfs/dbraw/zinc/00/83/73/569008373.db2.gz TUGMIXCVICOGBQ-XMMPIXPASA-N 1 0 404.558 3.464 50 0 HGAARO CCC[NH+]1CCN(C(=O)CN2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)CC1 ZINC000015862807 569016026 /nfs/dbraw/zinc/01/60/26/569016026.db2.gz FRGDZYFJRDRXHV-UHFFFAOYSA-N 1 0 421.589 3.132 50 0 HGAARO C[NH+](C)C1(CNC(=O)Cc2cc3c(cc2Br)OCCO3)CCCCC1 ZINC000012899192 569020540 /nfs/dbraw/zinc/02/05/40/569020540.db2.gz PGRBTWWEKIYSSL-UHFFFAOYSA-N 1 0 411.340 3.144 50 0 HGAARO C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012910520 569021493 /nfs/dbraw/zinc/02/14/93/569021493.db2.gz BIGXDZNUFPUCKL-OAHLLOKOSA-N 1 0 415.921 3.401 50 0 HGAARO CCc1ccc([C@@H](CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)[NH+](C)C)cc1 ZINC000012909414 569021725 /nfs/dbraw/zinc/02/17/25/569021725.db2.gz VBSVXWMWHDGVOV-ISKFKSNPSA-N 1 0 409.574 3.351 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000035398326 569035121 /nfs/dbraw/zinc/03/51/21/569035121.db2.gz XOFBJYSSXRMEMY-LJQANCHMSA-N 1 0 407.562 3.351 50 0 HGAARO O=C(NCC[NH+]1CCCCC1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000035398445 569035152 /nfs/dbraw/zinc/03/51/52/569035152.db2.gz OQKMXKXEGQNAOU-UHFFFAOYSA-N 1 0 411.525 3.101 50 0 HGAARO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000229755944 569040743 /nfs/dbraw/zinc/04/07/43/569040743.db2.gz FPJRZUDGFHBPHE-UYAOXDASSA-N 1 0 409.530 3.393 50 0 HGAARO CCOc1ccc(C(F)(F)F)cc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000089267825 569041061 /nfs/dbraw/zinc/04/10/61/569041061.db2.gz UWLOYHGHUVUCDJ-UHFFFAOYSA-N 1 0 402.461 3.252 50 0 HGAARO O=C(NCCC[NH+]1CCCC1)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000035513091 569043217 /nfs/dbraw/zinc/04/32/17/569043217.db2.gz MBCGTSKVHCGFNV-IBGZPJMESA-N 1 0 411.525 3.101 50 0 HGAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245313101 569055737 /nfs/dbraw/zinc/05/57/37/569055737.db2.gz ZZFPRVRWYARAIA-AIFLQVKLSA-N 1 0 415.493 3.043 50 0 HGAARO Cc1c(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc2c3c(c(=O)oc12)CCC3 ZINC000006658895 569083625 /nfs/dbraw/zinc/08/36/25/569083625.db2.gz AUMBWGSAIDFFMX-UHFFFAOYSA-N 1 0 412.530 3.394 50 0 HGAARO Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064800071 569097451 /nfs/dbraw/zinc/09/74/51/569097451.db2.gz PXHVJMQNDJBBFW-UHFFFAOYSA-N 1 0 400.914 3.393 50 0 HGAARO Cc1ccc2oc(=O)c3cnn(CC(=O)N(CC[NH+](C)C)Cc4ccccc4)c3c2c1 ZINC000006737838 569106394 /nfs/dbraw/zinc/10/63/94/569106394.db2.gz LDBDGZTUWIOQNG-UHFFFAOYSA-N 1 0 418.497 3.042 50 0 HGAARO COCCN(C[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccc(C)cc1)C(=O)COC ZINC000169679306 569126732 /nfs/dbraw/zinc/12/67/32/569126732.db2.gz IEUKMFGNDISNEL-RBBKRZOGSA-N 1 0 416.587 3.394 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc(OC)cc2)CC1 ZINC000036341198 569141817 /nfs/dbraw/zinc/14/18/17/569141817.db2.gz VOOGTHYJTWQUAO-QHCPKHFHSA-N 1 0 424.520 3.150 50 0 HGAARO CCCN(CCC)C(=O)c1cc(NC(=O)c2cccc(C)c2)cnc1N1CC[NH2+]CC1 ZINC000065025373 569156330 /nfs/dbraw/zinc/15/63/30/569156330.db2.gz CZIMHYIFBBFSBY-UHFFFAOYSA-N 1 0 423.561 3.314 50 0 HGAARO COC(=O)c1ccc(-c2ccco2)n1CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000006871292 569161951 /nfs/dbraw/zinc/16/19/51/569161951.db2.gz HLLIARHNUKVTNT-IAGOWNOFSA-N 1 0 401.507 3.019 50 0 HGAARO COc1ccc([S@@](=O)Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)o2)cc1 ZINC000006895622 569175383 /nfs/dbraw/zinc/17/53/83/569175383.db2.gz JLTBFDZJNKRAGC-MUUNZHRXSA-N 1 0 404.532 3.202 50 0 HGAARO CCCn1c2ccccc2c2cnn(CC(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)c(=O)c21 ZINC000006900168 569176233 /nfs/dbraw/zinc/17/62/33/569176233.db2.gz YCQCXYRWHJBFNP-HDICACEKSA-N 1 0 423.561 3.140 50 0 HGAARO CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153507 569187547 /nfs/dbraw/zinc/18/75/47/569187547.db2.gz OUIBPKKEFBZWML-UHFFFAOYSA-N 1 0 416.525 3.311 50 0 HGAARO CCC(=O)N1CCc2sc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2C1 ZINC000065200995 569193766 /nfs/dbraw/zinc/19/37/66/569193766.db2.gz JVGZWFXPEYSIJQ-UHFFFAOYSA-N 1 0 411.571 3.437 50 0 HGAARO CC(C)[NH+]1CCN(Cc2nc(-c3ccc(N(C)Cc4ccccc4)nc3)no2)CC1 ZINC000065216395 569197662 /nfs/dbraw/zinc/19/76/62/569197662.db2.gz BNWCZPCTQOOLHU-UHFFFAOYSA-N 1 0 406.534 3.294 50 0 HGAARO COc1ccc(CNC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)cc1 ZINC000065255978 569208136 /nfs/dbraw/zinc/20/81/36/569208136.db2.gz USZIFDNNDNBLFY-JOCHJYFZSA-N 1 0 402.498 3.171 50 0 HGAARO CC(C)[C@H](CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000065538587 569234611 /nfs/dbraw/zinc/23/46/11/569234611.db2.gz VGTBERZBTPZUQR-QAPCUYQASA-N 1 0 411.388 3.161 50 0 HGAARO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)CC1 ZINC000170591333 569240746 /nfs/dbraw/zinc/24/07/46/569240746.db2.gz LQZHUWDNKMASHT-LJQANCHMSA-N 1 0 405.539 3.397 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000010026411 569252925 /nfs/dbraw/zinc/25/29/25/569252925.db2.gz OMNRNQHZVNRRMD-OAQYLSRUSA-N 1 0 403.548 3.171 50 0 HGAARO COc1cc(CC[C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)ccc1O ZINC000002115175 569284535 /nfs/dbraw/zinc/28/45/35/569284535.db2.gz YFGLNZHQZLOTLC-SJORKVTESA-N 1 0 415.486 3.051 50 0 biogenic HGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000007777217 569308578 /nfs/dbraw/zinc/30/85/78/569308578.db2.gz URPVHEJYQWAWGM-FQEVSTJZSA-N 1 0 415.559 3.034 50 0 HGAARO Cc1ccc(S(=O)(=O)c2c(N)n(CCC[NH+](C)C)c3nc4ccccc4nc32)cc1 ZINC000002217905 569311602 /nfs/dbraw/zinc/31/16/02/569311602.db2.gz QDFPDDBDDZUXIA-UHFFFAOYSA-N 1 0 423.542 3.260 50 0 HGAARO CCOC(=O)C1CC[NH+](Cc2cn3c(nnc3-c3ccc(OC)cc3)s2)CC1 ZINC000002724092 569322407 /nfs/dbraw/zinc/32/24/07/569322407.db2.gz AZGHKGZODODQFW-UHFFFAOYSA-N 1 0 400.504 3.242 50 0 HGAARO Cn1ccnc1[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000055044129 569376367 /nfs/dbraw/zinc/37/63/67/569376367.db2.gz MYBIUEVTKKGSLP-JOCHJYFZSA-N 1 0 403.530 3.473 50 0 HGAARO COc1cc(CC[C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)ccc1O ZINC000012661122 569402577 /nfs/dbraw/zinc/40/25/77/569402577.db2.gz YFGLNZHQZLOTLC-DLBZAZTESA-N 1 0 415.486 3.051 50 0 biogenic HGAARO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000013145614 569409964 /nfs/dbraw/zinc/40/99/64/569409964.db2.gz HPVICPOFRQRDQQ-XMMPIXPASA-N 1 0 410.558 3.202 50 0 HGAARO CCOC(=O)c1c(C)c2ccccc2nc1N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000079014895 569423763 /nfs/dbraw/zinc/42/37/63/569423763.db2.gz SYYHPRKTSXKEAU-IBGZPJMESA-N 1 0 410.562 3.326 50 0 HGAARO Cc1cc(C)n(Cc2ccc(C(=O)N3CC[C@H](OCC[NH+]4CCCCC4)C3)cc2)n1 ZINC000079105995 569427722 /nfs/dbraw/zinc/42/77/22/569427722.db2.gz YJVDDTNHBJQETO-QHCPKHFHSA-N 1 0 410.562 3.265 50 0 HGAARO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000028724959 571037674 /nfs/dbraw/zinc/03/76/74/571037674.db2.gz GBTODMZNICNMTQ-SJORKVTESA-N 1 0 423.517 3.155 50 0 HGAARO Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000008750032 571111927 /nfs/dbraw/zinc/11/19/27/571111927.db2.gz CFRFWWUPHGBQQB-OAHLLOKOSA-N 1 0 402.520 3.278 50 0 HGAARO C[C@@H]([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 ZINC000039738442 571134045 /nfs/dbraw/zinc/13/40/45/571134045.db2.gz GCSGCLAYXMKOJF-VGSWGCGISA-N 1 0 418.603 3.174 50 0 HGAARO O=C(COc1ccc(N2CCCC2=O)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000040012829 571138293 /nfs/dbraw/zinc/13/82/93/571138293.db2.gz XXOKUQFLRVDKGJ-QFIPXVFZSA-N 1 0 407.514 3.146 50 0 HGAARO COc1cccc([C@H](CNC(=O)C2CCN(C(=O)c3ccsc3)CC2)[NH+](C)C)c1 ZINC000040062711 571147766 /nfs/dbraw/zinc/14/77/66/571147766.db2.gz LYEZSZXQFGYAFU-FQEVSTJZSA-N 1 0 415.559 3.028 50 0 HGAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCCN(c2cnccn2)C1 ZINC000040063315 571148083 /nfs/dbraw/zinc/14/80/83/571148083.db2.gz LZLJJZFGRVTUKL-XLIONFOSSA-N 1 0 413.953 3.300 50 0 HGAARO C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000040068006 571148679 /nfs/dbraw/zinc/14/86/79/571148679.db2.gz DUTYGXGZYPVEPZ-SFHVURJKSA-N 1 0 404.518 3.028 50 0 HGAARO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000040146746 571196631 /nfs/dbraw/zinc/19/66/31/571196631.db2.gz SLNKXYIYIKMHSW-HOTGVXAUSA-N 1 0 402.539 3.091 50 0 HGAARO COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000245026621 571212181 /nfs/dbraw/zinc/21/21/81/571212181.db2.gz NDLCIGJIKNDOKY-UHFFFAOYSA-N 1 0 416.909 3.023 50 0 HGAARO CC[NH+]1CCN(c2cc(CNC(=O)c3cc4cc(OC)ccc4nc3C)ccn2)CC1 ZINC000069516283 571228758 /nfs/dbraw/zinc/22/87/58/571228758.db2.gz AFJWLFVZUBCHHM-UHFFFAOYSA-N 1 0 419.529 3.019 50 0 HGAARO COc1ccc2c(C)c(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)oc2c1C ZINC000009451068 571259928 /nfs/dbraw/zinc/25/99/28/571259928.db2.gz HZGBNTXDZOZXQM-UHFFFAOYSA-N 1 0 400.519 3.386 50 0 HGAARO CCCCn1nc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c2ccccc2c1=O ZINC000009577355 571269938 /nfs/dbraw/zinc/26/99/38/571269938.db2.gz PIBJPGVRRHPHIO-LJQANCHMSA-N 1 0 408.502 3.357 50 0 HGAARO C[NH+]1CCC(N(Cc2ccccc2Cl)C(=O)Cn2c(=O)oc3ccccc32)CC1 ZINC000009688538 571280129 /nfs/dbraw/zinc/28/01/29/571280129.db2.gz ANLGFSCGAGKPJT-UHFFFAOYSA-N 1 0 413.905 3.371 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)C2=CSCCO2)cc1 ZINC000009738063 571283174 /nfs/dbraw/zinc/28/31/74/571283174.db2.gz XUYMKXJKSYGOHY-INIZCTEOSA-N 1 0 403.548 3.224 50 0 HGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009824136 571286449 /nfs/dbraw/zinc/28/64/49/571286449.db2.gz RAAVOIBPMVIKAG-FQEVSTJZSA-N 1 0 424.504 3.390 50 0 HGAARO O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000009992305 571293850 /nfs/dbraw/zinc/29/38/50/571293850.db2.gz VRXGKXLCGHNWGN-UHFFFAOYSA-N 1 0 424.526 3.443 50 0 HGAARO C[C@H](C(=O)NCc1cccnc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034684523 571316406 /nfs/dbraw/zinc/31/64/06/571316406.db2.gz METVQNCSAIGEKS-OAQYLSRUSA-N 1 0 414.553 3.494 50 0 HGAARO O=C1[C@H]2CCCCN2C(=O)N1CCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000002183635 132249142 /nfs/dbraw/zinc/24/91/42/132249142.db2.gz HVAZFJRSXVFBPC-LJQANCHMSA-N 1 0 404.942 3.059 50 0 HGAARO Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c(C)c1C ZINC000008705466 132332276 /nfs/dbraw/zinc/33/22/76/132332276.db2.gz RCDTYCRMUPWPNK-UHFFFAOYSA-N 1 0 402.564 3.176 50 0 HGAARO COc1ccc([C@H](CNC(=O)N2CCN(c3ccccc3)CC2)[NH+]2CCCC2)cc1 ZINC000009595920 132341517 /nfs/dbraw/zinc/34/15/17/132341517.db2.gz QYJAFNOTEHYFIJ-QHCPKHFHSA-N 1 0 408.546 3.364 50 0 HGAARO COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697965 132349943 /nfs/dbraw/zinc/34/99/43/132349943.db2.gz CHDUFQQLTMLGFY-UHFFFAOYSA-N 1 0 424.892 3.240 50 0 HGAARO Cc1c(C[NH+]2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)cnn1C ZINC000012074936 132353529 /nfs/dbraw/zinc/35/35/29/132353529.db2.gz YSDISTYGPSMMDA-UHFFFAOYSA-N 1 0 409.578 3.070 50 0 HGAARO CSc1ncc(CN2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cn1 ZINC000022914582 132476548 /nfs/dbraw/zinc/47/65/48/132476548.db2.gz GMCVWBJCZHWAIC-HXUWFJFHSA-N 1 0 401.555 3.124 50 0 HGAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccccc4C)c(C)c32)CC1 ZINC000033048456 132501716 /nfs/dbraw/zinc/50/17/16/132501716.db2.gz GZLMNEQGMQZCTC-UHFFFAOYSA-N 1 0 409.559 3.380 50 0 HGAARO CC(=O)Nc1nc2ccc(CC(=O)NCCC[N@@H+](C)Cc3ccccc3)cc2s1 ZINC000032959580 519753151 /nfs/dbraw/zinc/75/31/51/519753151.db2.gz VJIVQDWBWFFGSA-UHFFFAOYSA-N 1 0 410.543 3.436 50 0 HGAARO CC(C)c1noc(-c2ccc(OCC(=O)NCC[N@@H+]3CCc4ccccc4C3)cc2)n1 ZINC000032579027 519898845 /nfs/dbraw/zinc/89/88/45/519898845.db2.gz ABYCHSSXBPCKFY-UHFFFAOYSA-N 1 0 420.513 3.413 50 0 HGAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cnc3sccn3c2=O)cc1 ZINC000032908712 521891888 /nfs/dbraw/zinc/89/18/88/521891888.db2.gz UOBFHHODBPCLRV-UHFFFAOYSA-N 1 0 418.522 3.415 50 0 HGAARO CC[C@@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032446977 522531103 /nfs/dbraw/zinc/53/11/03/522531103.db2.gz RYFKJFPKRQPHLX-NRFANRHFSA-N 1 0 421.541 3.145 50 0 HGAARO COc1cc(OC)c(NC(=O)C2=C(C)C(=O)OC23CC[NH+](C(C)C)CC3)cc1Cl ZINC000020581637 522798982 /nfs/dbraw/zinc/79/89/82/522798982.db2.gz BTCWYBXJUNFDJA-UHFFFAOYSA-N 1 0 422.909 3.412 50 0 biogenic HGAARO COc1ccc(-c2nc(C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)cs2)cc1OC ZINC000032903362 523191244 /nfs/dbraw/zinc/19/12/44/523191244.db2.gz MYJROGVPDJNEID-HUUCEWRRSA-N 1 0 419.547 3.056 50 0 HGAARO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc3c(c1)NC(=O)CS3)c1ccccc1O2 ZINC000032676324 523785751 /nfs/dbraw/zinc/78/57/51/523785751.db2.gz KYFCYFAEHROHPZ-SFHVURJKSA-N 1 0 423.538 3.449 50 0 HGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CN1C1Cc2ccccc2C1 ZINC000032590174 524088666 /nfs/dbraw/zinc/08/86/66/524088666.db2.gz PABMATGIYXSUIM-CTNGQTDRSA-N 1 0 417.475 3.151 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCn1c2ccccc2n2cccc2c1=O ZINC000020489786 524101091 /nfs/dbraw/zinc/10/10/91/524101091.db2.gz XERBRDKKZFASIA-LJQANCHMSA-N 1 0 408.546 3.415 50 0 HGAARO CSc1ccc(N2C[C@H](C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)CC2=O)cc1 ZINC000032730850 526021694 /nfs/dbraw/zinc/02/16/94/526021694.db2.gz ZVOWKENQCALEFI-OXQOHEQNSA-N 1 0 415.534 3.320 50 0 HGAARO O=C(NCc1ccccc1CN1CCCC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044853762 526744087 /nfs/dbraw/zinc/74/40/87/526744087.db2.gz HCOPMCROFBZTEX-UHFFFAOYSA-N 1 0 405.542 3.337 50 0 HGAARO O=C(Nc1nc(C(=O)N2CC[NH+](C3CCCC3)CC2)cs1)c1ccc(F)c(F)c1 ZINC000040355666 527503592 /nfs/dbraw/zinc/50/35/92/527503592.db2.gz UWIBMJIKPZIANE-UHFFFAOYSA-N 1 0 420.485 3.374 50 0 HGAARO COc1cc(OC)cc(C(=O)N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000000652114 557039045 /nfs/dbraw/zinc/03/90/45/557039045.db2.gz RWHSCCVBLQIGOS-UHFFFAOYSA-N 1 0 423.557 3.126 50 0 HGAARO Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2n(CC[NH+]2CCCCC2)c1=N ZINC000001273571 557253136 /nfs/dbraw/zinc/25/31/36/557253136.db2.gz JSWWJFBOMZWQSQ-FQEVSTJZSA-N 1 0 408.546 3.156 50 0 HGAARO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCC[NH3+])NC(=O)OC(C)(C)C)ccc12 ZINC000002506587 557353393 /nfs/dbraw/zinc/35/33/93/557353393.db2.gz BDIWFURAJXIIAA-INIZCTEOSA-N 1 0 403.479 3.062 50 0 HGAARO CCOC(=O)c1ccc(C(=O)c2cccc(C[NH+]3CCC4(CC3)OCCO4)c2)cc1 ZINC000002515225 557354077 /nfs/dbraw/zinc/35/40/77/557354077.db2.gz JMOUETOGGMKHTK-UHFFFAOYSA-N 1 0 409.482 3.433 50 0 HGAARO C[NH+](C)CCNC(=O)[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034710127 557389993 /nfs/dbraw/zinc/38/99/93/557389993.db2.gz SUPQUTHCNXNBFZ-FUHWJXTLSA-N 1 0 411.468 3.073 50 0 HGAARO Cc1cc(C)cc(N2C[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2=O)c1 ZINC000034917975 557483109 /nfs/dbraw/zinc/48/31/09/557483109.db2.gz IGFNBPIFEAIGFZ-NRFANRHFSA-N 1 0 405.542 3.437 50 0 HGAARO CC1CC[NH+](CCC2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC000004727888 557587705 /nfs/dbraw/zinc/58/77/05/557587705.db2.gz MEWMEYFRUOQIOW-NRFANRHFSA-N 1 0 401.526 3.292 50 0 HGAARO O=C(NCc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011662286 558266173 /nfs/dbraw/zinc/26/61/73/558266173.db2.gz SPYWYYBLZKFCTR-GOSISDBHSA-N 1 0 403.954 3.069 50 0 HGAARO O=C(NCCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011665122 558268487 /nfs/dbraw/zinc/26/84/87/558268487.db2.gz MRHQHJGKJVNGSQ-JOCHJYFZSA-N 1 0 406.574 3.117 50 0 HGAARO O=C(Cc1cc(F)ccc1F)NC[C@@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)O1 ZINC000011785614 558275897 /nfs/dbraw/zinc/27/58/97/558275897.db2.gz GENQHMRHUAAHMP-FQEVSTJZSA-N 1 0 415.484 3.232 50 0 HGAARO Cn1ccc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccc(Cl)cc4)CC3)O2)n1 ZINC000011814238 558278444 /nfs/dbraw/zinc/27/84/44/558278444.db2.gz SITKMRNIQRCOCK-GOSISDBHSA-N 1 0 402.926 3.017 50 0 HGAARO COc1ccc(C[N@H+]2CCN(Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)c(C)c1C ZINC000019790952 558282423 /nfs/dbraw/zinc/28/24/23/558282423.db2.gz WFUMOZODOKFXSB-NRFANRHFSA-N 1 0 414.546 3.095 50 0 HGAARO CC[NH+]1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2)CC1 ZINC000019796745 558284557 /nfs/dbraw/zinc/28/45/57/558284557.db2.gz JMKIYTCTMAAOGK-JOCHJYFZSA-N 1 0 404.514 3.450 50 0 HGAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc1C ZINC000019835902 558292783 /nfs/dbraw/zinc/29/27/83/558292783.db2.gz QLMKDKXDGMKREY-MRXNPFEDSA-N 1 0 423.517 3.046 50 0 HGAARO NC(=O)[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011878940 558293314 /nfs/dbraw/zinc/29/33/14/558293314.db2.gz QYMDKKFNSBISMK-IBGZPJMESA-N 1 0 418.497 3.024 50 0 HGAARO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000019850567 558295432 /nfs/dbraw/zinc/29/54/32/558295432.db2.gz JENLAVDYHRMFFI-IBGZPJMESA-N 1 0 405.336 3.319 50 0 HGAARO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccccc1)CC2 ZINC000011910766 558296540 /nfs/dbraw/zinc/29/65/40/558296540.db2.gz ZPINOFVFIKJHCG-LJQANCHMSA-N 1 0 407.518 3.447 50 0 HGAARO O=C(CCN1CCCO1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011938074 558301479 /nfs/dbraw/zinc/30/14/79/558301479.db2.gz DJPPJKGUZDXOPT-JOCHJYFZSA-N 1 0 414.594 3.482 50 0 HGAARO OCCN1CC[NH+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000019891694 558303260 /nfs/dbraw/zinc/30/32/60/558303260.db2.gz IWNJWRRJZAETQO-QGZVFWFLSA-N 1 0 422.356 3.072 50 0 HGAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCN1CC[NH+](C)CC1 ZINC000019902717 558305609 /nfs/dbraw/zinc/30/56/09/558305609.db2.gz PTCOTLJOYFZMTB-UHFFFAOYSA-N 1 0 401.532 3.168 50 0 HGAARO CCn1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccc(OC)cc3)CC2)cn1 ZINC000011997117 558307241 /nfs/dbraw/zinc/30/72/41/558307241.db2.gz ZLNRPZRFLZWWBY-UHFFFAOYSA-N 1 0 408.506 3.198 50 0 HGAARO O=C(NCCc1nnc2n1CC[N@@H+](CCCc1ccccc1)CC2)C1CCCCC1 ZINC000011997426 558307249 /nfs/dbraw/zinc/30/72/49/558307249.db2.gz ZXTZTUTXDHKSIY-UHFFFAOYSA-N 1 0 409.578 3.008 50 0 HGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C)C1 ZINC000012034407 558311480 /nfs/dbraw/zinc/31/14/80/558311480.db2.gz TYDAINXITMFIHY-QGZVFWFLSA-N 1 0 422.508 3.333 50 0 HGAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C)C1 ZINC000012034410 558311647 /nfs/dbraw/zinc/31/16/47/558311647.db2.gz TYDAINXITMFIHY-KRWDZBQOSA-N 1 0 422.508 3.333 50 0 HGAARO COc1ccc(/C=C/C[NH+]2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)cc1 ZINC000012049442 558313594 /nfs/dbraw/zinc/31/35/94/558313594.db2.gz RLCBFPICNDFKLA-LSTKMXGYSA-N 1 0 410.518 3.217 50 0 HGAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000020109766 558334962 /nfs/dbraw/zinc/33/49/62/558334962.db2.gz ZESVBGZPMYCMTO-LJQANCHMSA-N 1 0 418.921 3.077 50 0 HGAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2[C@@H](C)CCCC(C)(C)O)cc1 ZINC000012185579 558344958 /nfs/dbraw/zinc/34/49/58/558344958.db2.gz HTXXBHYBANHZCM-FXAWDEMLSA-N 1 0 404.551 3.274 50 0 HGAARO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCc3nc4ccccc4n3C)CC2)o1 ZINC000012241492 558360468 /nfs/dbraw/zinc/36/04/68/558360468.db2.gz QLGUUMMOBRBBTR-IBGZPJMESA-N 1 0 406.530 3.436 50 0 HGAARO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([N@H+](C)CCc1cnn(C)c1)C3 ZINC000012282202 558365477 /nfs/dbraw/zinc/36/54/77/558365477.db2.gz GGEOKEFSTSQWNR-KRWDZBQOSA-N 1 0 413.591 3.269 50 0 HGAARO CC[NH+](CC)C[C@@H](O)COc1ccc(CNCc2cccc(F)c2F)cc1OC ZINC000012298678 558368625 /nfs/dbraw/zinc/36/86/25/558368625.db2.gz FFMNQJASIBCFAZ-GOSISDBHSA-N 1 0 408.489 3.345 50 0 HGAARO O=C(c1nc2ccccn2c1C[N@@H+](Cc1ccccc1)CC1CC1)N1CCOCC1 ZINC000012303206 558372954 /nfs/dbraw/zinc/37/29/54/558372954.db2.gz RQXXFFBQQXRGIU-UHFFFAOYSA-N 1 0 404.514 3.219 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(OC)c2)C1=O ZINC000020503694 558381276 /nfs/dbraw/zinc/38/12/76/558381276.db2.gz WIQCTYVOLAHKEM-RMDTYCCRSA-N 1 0 405.498 3.297 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2OC)C1=O ZINC000020503996 558381309 /nfs/dbraw/zinc/38/13/09/558381309.db2.gz QGBBVLJFUAZDFP-BJMRFWQKSA-N 1 0 405.498 3.297 50 0 HGAARO Cc1ccoc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012437821 558409555 /nfs/dbraw/zinc/40/95/55/558409555.db2.gz QACQQCAJZHTJJC-FQEVSTJZSA-N 1 0 409.530 3.221 50 0 HGAARO CCn1ncc(CN2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1C ZINC000020995605 558426856 /nfs/dbraw/zinc/42/68/56/558426856.db2.gz BBZYALXSVXPQCN-NRFANRHFSA-N 1 0 400.567 3.368 50 0 HGAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)CCCc2cccs2)CC1 ZINC000012573601 558429913 /nfs/dbraw/zinc/42/99/13/558429913.db2.gz ZTFKWGDZHMNZTK-FQEVSTJZSA-N 1 0 408.608 3.437 50 0 HGAARO COCc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc(OC)c3OC)C2)o1 ZINC000012584284 558433568 /nfs/dbraw/zinc/43/35/68/558433568.db2.gz IYMOTSQRBMSVTJ-INIZCTEOSA-N 1 0 402.491 3.085 50 0 HGAARO Cc1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000021795053 558449425 /nfs/dbraw/zinc/44/94/25/558449425.db2.gz CVZXZYSEKMCKAN-UHFFFAOYSA-N 1 0 400.914 3.393 50 0 HGAARO CC[NH+](CC)C[C@@H](O)COc1cc(CNCc2c(F)cccc2F)ccc1OC ZINC000012708528 558451067 /nfs/dbraw/zinc/45/10/67/558451067.db2.gz AJYIXVZADVXGAU-QGZVFWFLSA-N 1 0 408.489 3.345 50 0 HGAARO Cc1nonc1C(=O)N(C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000012718483 558455870 /nfs/dbraw/zinc/45/58/70/558455870.db2.gz IOWSJOFNYYIUSY-UHFFFAOYSA-N 1 0 410.440 3.424 50 0 HGAARO CC[NH+](CC)Cc1ccc(CNC(=O)Cn2cnc3c4ccccc4oc3c2=O)cc1 ZINC000012975997 558491402 /nfs/dbraw/zinc/49/14/02/558491402.db2.gz WGWRLANXJDPKJG-UHFFFAOYSA-N 1 0 418.497 3.301 50 0 HGAARO COc1ccc(-c2noc(CCC(=O)NC[C@H](c3ccc(OC)cc3)[NH+](C)C)n2)cc1 ZINC000022621367 558503171 /nfs/dbraw/zinc/50/31/71/558503171.db2.gz OWIYHRIVXBDEHF-HXUWFJFHSA-N 1 0 424.501 3.106 50 0 HGAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C)c2)cc1 ZINC000013039453 558506108 /nfs/dbraw/zinc/50/61/08/558506108.db2.gz FXMUXOXDOGKQLM-QGZVFWFLSA-N 1 0 403.548 3.315 50 0 HGAARO Cn1cc(CN2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000022851656 558516811 /nfs/dbraw/zinc/51/68/11/558516811.db2.gz CBAVPJWUJZODOZ-FQEVSTJZSA-N 1 0 407.484 3.226 50 0 HGAARO C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022916874 558521834 /nfs/dbraw/zinc/52/18/34/558521834.db2.gz XBFRELWUKAWEQY-YPAWHYETSA-N 1 0 421.585 3.418 50 0 HGAARO C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022916889 558521855 /nfs/dbraw/zinc/52/18/55/558521855.db2.gz XBFRELWUKAWEQY-BDTNDASRSA-N 1 0 421.585 3.418 50 0 HGAARO COc1ccccc1-n1cnn(CN2CC[NH+](Cc3cccc(C)c3)CC2)c1=S ZINC000022926703 558523406 /nfs/dbraw/zinc/52/34/06/558523406.db2.gz BEEMLTWOJMPJAJ-UHFFFAOYSA-N 1 0 409.559 3.496 50 0 HGAARO c1nc2sc3c(c2c(NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)n1)CCCCC3 ZINC000022956842 558528038 /nfs/dbraw/zinc/52/80/38/558528038.db2.gz SNFWNUOFFUWDSD-NVXWUHKLSA-N 1 0 402.564 3.109 50 0 HGAARO Cc1ccc(-n2cccn2)c(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023129267 558536920 /nfs/dbraw/zinc/53/69/20/558536920.db2.gz AOXVSVKJVOCOGS-DEOSSOPVSA-N 1 0 404.558 3.292 50 0 HGAARO CCCCn1c(CN2CC[C@H]([NH+](CC)CC)C2)cnc1S(=O)(=O)CC1CCC1 ZINC000023374595 558553907 /nfs/dbraw/zinc/55/39/07/558553907.db2.gz QHPKQQRYIMQRJY-IBGZPJMESA-N 1 0 410.628 3.173 50 0 HGAARO Cc1noc2nc(-c3cccs3)cc(C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)c12 ZINC000023509681 558560746 /nfs/dbraw/zinc/56/07/46/558560746.db2.gz CISDEXNLVBRHEI-KBPBESRZSA-N 1 0 414.531 3.489 50 0 HGAARO COc1cc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCC2)n3C)cc(OC)c1OC ZINC000013721428 558582055 /nfs/dbraw/zinc/58/20/55/558582055.db2.gz XMCRLAPFBZCANI-UHFFFAOYSA-N 1 0 424.501 3.447 50 0 HGAARO CCN1CCN(C(=O)[C@@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000024177946 558590974 /nfs/dbraw/zinc/59/09/74/558590974.db2.gz VAXIYHFGOSSRCP-KNQAVFIVSA-N 1 0 404.558 3.442 50 0 HGAARO CCc1c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000024571145 558601149 /nfs/dbraw/zinc/60/11/49/558601149.db2.gz HIDCWGAMYLGFRM-SFHVURJKSA-N 1 0 404.942 3.175 50 0 HGAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]C1CCCCCC1)C2 ZINC000014732971 558665881 /nfs/dbraw/zinc/66/58/81/558665881.db2.gz HHBFXHYWBWYGIM-IBGZPJMESA-N 1 0 402.583 3.181 50 0 HGAARO CCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000022936184 558666692 /nfs/dbraw/zinc/66/66/92/558666692.db2.gz MHSWHQQQSATQJG-UHFFFAOYSA-N 1 0 421.545 3.455 50 0 HGAARO COc1cc(CNCc2csc(C)n2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000014949272 558680435 /nfs/dbraw/zinc/68/04/35/558680435.db2.gz VIQQIXPQBHIMCO-FQEVSTJZSA-N 1 0 419.591 3.366 50 0 HGAARO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnn(C(C)C)c3)C2)c1 ZINC000014955569 558682299 /nfs/dbraw/zinc/68/22/99/558682299.db2.gz XKKBQJCVAUIQJN-QGZVFWFLSA-N 1 0 400.523 3.123 50 0 HGAARO CCc1c(C(=O)NCCc2ccc(F)cc2)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000014962369 558684514 /nfs/dbraw/zinc/68/45/14/558684514.db2.gz XUKSCLVYXSZFJX-UHFFFAOYSA-N 1 0 413.537 3.317 50 0 HGAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1I ZINC000030363354 558729280 /nfs/dbraw/zinc/72/92/80/558729280.db2.gz NPAMXUWDXKCYSD-UHFFFAOYSA-N 1 0 406.267 3.079 50 0 HGAARO Cc1cccc(N2CC[NH+](CC[C@H](C)NS(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000030439712 558730120 /nfs/dbraw/zinc/73/01/20/558730120.db2.gz RSBUOPOAZIJASR-SFHVURJKSA-N 1 0 405.539 3.013 50 0 HGAARO Cc1cccc(N2CC[NH+](CC[C@@H](C)NS(=O)(=O)c3cccc(F)c3)CC2)c1 ZINC000030439707 558730132 /nfs/dbraw/zinc/73/01/32/558730132.db2.gz BOQOCBUPGJCBSW-GOSISDBHSA-N 1 0 405.539 3.013 50 0 HGAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(CCOc3ccccc3)CC2)cc1 ZINC000015300699 558731088 /nfs/dbraw/zinc/73/10/88/558731088.db2.gz DUCGDSYLMDPAHA-DEOSSOPVSA-N 1 0 423.557 3.055 50 0 HGAARO CC[NH+](CC)CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000015339761 558734261 /nfs/dbraw/zinc/73/42/61/558734261.db2.gz LSCALUDTAUCPRK-UHFFFAOYSA-N 1 0 403.548 3.176 50 0 HGAARO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000072296024 558748883 /nfs/dbraw/zinc/74/88/83/558748883.db2.gz CSHCHLRAVWKDSV-WIYYLYMNSA-N 1 0 402.583 3.124 50 0 HGAARO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCc1ccc(F)cc1 ZINC000072304001 558756742 /nfs/dbraw/zinc/75/67/42/558756742.db2.gz WMJOYXXDFOTSDH-UHFFFAOYSA-N 1 0 400.498 3.340 50 0 HGAARO COc1ccccc1C[NH+]1CCC(C(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000022241671 558779127 /nfs/dbraw/zinc/77/91/27/558779127.db2.gz BUZBYLIIHYOHSI-UHFFFAOYSA-N 1 0 412.530 3.283 50 0 HGAARO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)s1 ZINC000019229093 558853124 /nfs/dbraw/zinc/85/31/24/558853124.db2.gz ZAVMIISQYNFGPZ-QGZVFWFLSA-N 1 0 403.571 3.135 50 0 HGAARO CC(C)c1nnsc1CNCc1ccccc1OCCCC[NH+]1CCOCC1 ZINC000055325255 558879061 /nfs/dbraw/zinc/87/90/61/558879061.db2.gz VQIQUKMVNGCXRP-UHFFFAOYSA-N 1 0 404.580 3.443 50 0 HGAARO Cc1nc(C)c(CC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)s1 ZINC000055341366 558879300 /nfs/dbraw/zinc/87/93/00/558879300.db2.gz OOHQFZVTVMXCCK-HXUWFJFHSA-N 1 0 412.603 3.424 50 0 HGAARO Cn1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc1=O ZINC000058006805 558894586 /nfs/dbraw/zinc/89/45/86/558894586.db2.gz FUCKDHACFBMCQD-UHFFFAOYSA-N 1 0 408.329 3.430 50 0 HGAARO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(F)c2)c1 ZINC000058146415 558902032 /nfs/dbraw/zinc/90/20/32/558902032.db2.gz SVDXLZSBFPGRFN-OAHLLOKOSA-N 1 0 407.511 3.146 50 0 HGAARO Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)n1 ZINC000071663089 558906453 /nfs/dbraw/zinc/90/64/53/558906453.db2.gz NRHMLMBVMRUSOF-QFIPXVFZSA-N 1 0 423.605 3.096 50 0 HGAARO CC1CCN(C(=O)[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)c2ccccc2)CC1 ZINC000058225215 558913438 /nfs/dbraw/zinc/91/34/38/558913438.db2.gz SXBNXQFAVVYGIF-JOCHJYFZSA-N 1 0 412.578 3.160 50 0 HGAARO CCCC[N@H+](CC)CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1 ZINC000004715504 558914772 /nfs/dbraw/zinc/91/47/72/558914772.db2.gz WAIVVGVEDGYQFC-UHFFFAOYSA-N 1 0 422.547 3.114 50 0 HGAARO C[NH+](C)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021809835 558953116 /nfs/dbraw/zinc/95/31/16/558953116.db2.gz DALDEPSXSVTCDB-JOCHJYFZSA-N 1 0 416.591 3.318 50 0 HGAARO CCC[NH+]1CCN(CCCNC(=O)c2sc3ncccc3c2-n2cccc2)CC1 ZINC000033059863 558953985 /nfs/dbraw/zinc/95/39/85/558953985.db2.gz VKKZWMJDXXDROI-UHFFFAOYSA-N 1 0 411.575 3.235 50 0 HGAARO Cc1cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc(N2CCCC2)[nH+]1 ZINC000064800058 558965816 /nfs/dbraw/zinc/96/58/16/558965816.db2.gz OIKLGHVZJNJBDL-UHFFFAOYSA-N 1 0 400.914 3.393 50 0 HGAARO CCNc1nc(N2CCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)cc(C)[nH+]1 ZINC000064800325 558966096 /nfs/dbraw/zinc/96/60/96/558966096.db2.gz LIEMLMXNGBDBET-UHFFFAOYSA-N 1 0 404.902 3.233 50 0 HGAARO C[NH+](C)CCOc1cccc2c1c(NC(=O)[C@H]1CCCO1)nn2-c1ccc(F)cc1 ZINC000072479492 558984024 /nfs/dbraw/zinc/98/40/24/558984024.db2.gz GDDGIFYCFLLFEC-LJQANCHMSA-N 1 0 412.465 3.223 50 0 HGAARO CCOc1cc(/C=C\C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1OC(F)F ZINC000096817132 558986990 /nfs/dbraw/zinc/98/69/90/558986990.db2.gz XOONOSBGFTWWMK-CNRGFGOASA-N 1 0 424.488 3.413 50 0 HGAARO Cc1nc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc(N2CCCC2)[nH+]1 ZINC000067613434 558989119 /nfs/dbraw/zinc/98/91/19/558989119.db2.gz FJPXWUHZDMQPCB-UHFFFAOYSA-N 1 0 403.889 3.140 50 0 HGAARO COc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C(C)C ZINC000067621763 558989680 /nfs/dbraw/zinc/98/96/80/558989680.db2.gz ATOIMAFJKFMQDF-UHFFFAOYSA-N 1 0 403.548 3.371 50 0 HGAARO Cc1nc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc(N2CCCCC2)[nH+]1 ZINC000067621362 558989738 /nfs/dbraw/zinc/98/97/38/558989738.db2.gz RUOXTRYTDAIQNX-UHFFFAOYSA-N 1 0 418.545 3.148 50 0 HGAARO Cc1nc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc(N2CCCCC2)[nH+]1 ZINC000067621715 558989745 /nfs/dbraw/zinc/98/97/45/558989745.db2.gz GHVKLQKDFBCWPO-UHFFFAOYSA-N 1 0 416.476 3.408 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](C5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022456932 558995120 /nfs/dbraw/zinc/99/51/20/558995120.db2.gz FXYPTAKKGKQTFF-VEMNPONZSA-N 1 0 416.606 3.222 50 0 biogenic HGAARO C[NH+](C)Cc1cccc(C(=O)N[C@@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)c1 ZINC000097108898 558995152 /nfs/dbraw/zinc/99/51/52/558995152.db2.gz FVOCOFRAZXWDQQ-QGZVFWFLSA-N 1 0 403.408 3.405 50 0 HGAARO O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000097136819 558996422 /nfs/dbraw/zinc/99/64/22/558996422.db2.gz UEJONIOAHYBXHX-UHFFFAOYSA-N 1 0 418.969 3.055 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1cccc(F)c1 ZINC000023081686 559000127 /nfs/dbraw/zinc/00/01/27/559000127.db2.gz MYXRTOYOYHHIIR-WMZOPIPTSA-N 1 0 403.523 3.159 50 0 HGAARO COc1ccc(CCS(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023127739 559016158 /nfs/dbraw/zinc/01/61/58/559016158.db2.gz WSYCNCNKXRWBFK-UHFFFAOYSA-N 1 0 408.589 3.131 50 0 HGAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CSc1ccc2c(c1)OCCO2 ZINC000022616356 559017022 /nfs/dbraw/zinc/01/70/22/559017022.db2.gz ZXFLAUUDITYNCH-UHFFFAOYSA-N 1 0 413.543 3.249 50 0 HGAARO CC(C)(C)NC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082096797 559037377 /nfs/dbraw/zinc/03/73/77/559037377.db2.gz QZMLAPILGLLVRR-FQEVSTJZSA-N 1 0 414.594 3.030 50 0 HGAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000082125213 559039647 /nfs/dbraw/zinc/03/96/47/559039647.db2.gz HETIMUFTBJGBDN-QGZVFWFLSA-N 1 0 413.953 3.127 50 0 HGAARO Cc1nc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)co1 ZINC000082121994 559039678 /nfs/dbraw/zinc/03/96/78/559039678.db2.gz VWVNLHDAQUSNMZ-NRFANRHFSA-N 1 0 410.562 3.018 50 0 HGAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000082137092 559040242 /nfs/dbraw/zinc/04/02/42/559040242.db2.gz UGMWHQWFBDHFOS-NRFANRHFSA-N 1 0 410.537 3.214 50 0 HGAARO CC[NH+](CC)C1CCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000072280466 559049828 /nfs/dbraw/zinc/04/98/28/559049828.db2.gz PYRYZCRQLJHWBW-UHFFFAOYSA-N 1 0 404.267 3.377 50 0 HGAARO O=C(c1ncc[nH]1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095511089 559083833 /nfs/dbraw/zinc/08/38/33/559083833.db2.gz KYKHOGBSDIKKBZ-LJQANCHMSA-N 1 0 400.498 3.082 50 0 HGAARO O=C(CCNC(=O)NCc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000014198824 559156829 /nfs/dbraw/zinc/15/68/29/559156829.db2.gz JSQDDUZHXUUDCS-UHFFFAOYSA-N 1 0 408.546 3.178 50 0 HGAARO CC[NH+]1CCN([C@@H](c2cccnc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000024022698 559187797 /nfs/dbraw/zinc/18/77/97/559187797.db2.gz FLWAYDPOWHVINF-DEOSSOPVSA-N 1 0 418.541 3.033 50 0 HGAARO CC[NH+](CC)CCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12 ZINC000004874812 559195138 /nfs/dbraw/zinc/19/51/38/559195138.db2.gz QCUQPTVDQXIADJ-UHFFFAOYSA-N 1 0 417.550 3.136 50 0 HGAARO Cc1ccc2oc(=O)c3cnn(CC(=O)NCCC[NH+]4[C@@H](C)CCC[C@@H]4C)c3c2c1 ZINC000004961873 559217880 /nfs/dbraw/zinc/21/78/80/559217880.db2.gz NPMVAMSPXLHZEC-IRXDYDNUSA-N 1 0 410.518 3.220 50 0 HGAARO COC(CNC(=O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1)OC ZINC000005043176 559236162 /nfs/dbraw/zinc/23/61/62/559236162.db2.gz DAPWDPLBJHFQSA-UHFFFAOYSA-N 1 0 421.925 3.251 50 0 HGAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000409415102 559251018 /nfs/dbraw/zinc/25/10/18/559251018.db2.gz TYWNKCPILYIKAG-KNQAVFIVSA-N 1 0 411.550 3.215 50 0 HGAARO CCOc1ccc(C(=O)N[C@@H](C(=O)NCCC[NH+]2CCC(C)CC2)C(C)C)cc1 ZINC000011714185 559254659 /nfs/dbraw/zinc/25/46/59/559254659.db2.gz FMGUWPATKRPGBY-OAQYLSRUSA-N 1 0 403.567 3.078 50 0 HGAARO COc1ccc2c(C)c(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)oc2c1 ZINC000005321458 560568265 /nfs/dbraw/zinc/56/82/65/560568265.db2.gz YGXCNHMZBOCUOQ-UHFFFAOYSA-N 1 0 420.509 3.433 50 0 HGAARO COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn(CCC[NH+](C)C)c(=N)c21 ZINC000005348786 560571068 /nfs/dbraw/zinc/57/10/68/560571068.db2.gz NRBALVWYGYRCKN-FQEVSTJZSA-N 1 0 406.486 3.314 50 0 HGAARO COc1ccc(C(=O)N/C(=C/c2cccc3ccccc23)C(=O)N2CC[NH2+]CC2)cc1 ZINC000005558652 560614891 /nfs/dbraw/zinc/61/48/91/560614891.db2.gz IDDPNDTZLRALQS-HAVVHWLPSA-N 1 0 415.493 3.051 50 0 HGAARO CCOc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCC(C)CC2)cc1 ZINC000017307931 560707725 /nfs/dbraw/zinc/70/77/25/560707725.db2.gz UOEOAXAPSKWVSP-UHFFFAOYSA-N 1 0 413.518 3.126 50 0 HGAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000409414044 560723249 /nfs/dbraw/zinc/72/32/49/560723249.db2.gz MXKDTEPHUHMETM-XLIONFOSSA-N 1 0 424.545 3.322 50 0 HGAARO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000005682995 560781427 /nfs/dbraw/zinc/78/14/27/560781427.db2.gz DAXDUPXKOREURJ-UHFFFAOYSA-N 1 0 409.349 3.392 50 0 HGAARO O=C(CCc1ccccc1Br)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000108141127 560898075 /nfs/dbraw/zinc/89/80/75/560898075.db2.gz NFWBWQJZRLZGPZ-RBUKOAKNSA-N 1 0 417.347 3.133 50 0 HGAARO COc1ccc(OC)c2sc(N(CCC[NH+](C)C)C(=O)c3cc(C)on3)nc21 ZINC000012229567 568418333 /nfs/dbraw/zinc/41/83/33/568418333.db2.gz VQSZTDDOJUCXND-UHFFFAOYSA-N 1 0 404.492 3.208 50 0 HGAARO COc1cc(C[N@@H+](Cc2cc(=O)n3ccccc3n2)CC(C)C)cc(OC)c1OC ZINC000045974058 568422787 /nfs/dbraw/zinc/42/27/87/568422787.db2.gz GKKNGCHIMCAOGH-UHFFFAOYSA-N 1 0 411.502 3.379 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(F)cc1I ZINC000048159034 568432211 /nfs/dbraw/zinc/43/22/11/568432211.db2.gz MYGOHTAMGUDKMN-GFCCVEGCSA-N 1 0 404.267 3.425 50 0 HGAARO CC(C)CNC(=O)[C@H]1CCC[N@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000048289565 568434979 /nfs/dbraw/zinc/43/49/79/568434979.db2.gz VVQLPMWCDDBMBL-SFHVURJKSA-N 1 0 424.570 3.407 50 0 HGAARO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)Nc1cccnc1N1CCCC1 ZINC000048276389 568435570 /nfs/dbraw/zinc/43/55/70/568435570.db2.gz HKYZAQJUSIKNFQ-HXUWFJFHSA-N 1 0 422.577 3.404 50 0 HGAARO COc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1N1CCCCC1=O ZINC000048333386 568439458 /nfs/dbraw/zinc/43/94/58/568439458.db2.gz WSBPGZDZTPOYPO-GOSISDBHSA-N 1 0 400.523 3.304 50 0 HGAARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1cn(C)c2ccccc12)[NH+](C)C ZINC000021698396 568467015 /nfs/dbraw/zinc/46/70/15/568467015.db2.gz MNMVPFHCNRAGKW-FQEVSTJZSA-N 1 0 412.921 3.498 50 0 HGAARO CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)C1 ZINC000033264207 568512252 /nfs/dbraw/zinc/51/22/52/568512252.db2.gz DEYOZCVNKKPZOG-OAQYLSRUSA-N 1 0 400.567 3.201 50 0 HGAARO COC(=O)C1CC[NH+](CCCNC(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000095397998 568604567 /nfs/dbraw/zinc/60/45/67/568604567.db2.gz GMLYYBGLSFZXNU-UHFFFAOYSA-N 1 0 404.576 3.483 50 0 HGAARO CCC(CC)[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000095401824 568605237 /nfs/dbraw/zinc/60/52/37/568605237.db2.gz SSXJAMVETBKKKN-JOCHJYFZSA-N 1 0 405.558 3.043 50 0 HGAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000095408259 568606363 /nfs/dbraw/zinc/60/63/63/568606363.db2.gz QMAJSKZMIOQYGY-HSZRJFAPSA-N 1 0 417.553 3.091 50 0 HGAARO COc1ccc2c(c1)[nH]c1c2ncn(CCCN2CC[NH+](C3CCCCC3)CC2)c1=O ZINC000020438337 568607193 /nfs/dbraw/zinc/60/71/93/568607193.db2.gz HSCKPKKZTZJRQN-UHFFFAOYSA-N 1 0 423.561 3.227 50 0 HGAARO CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000095460782 568620476 /nfs/dbraw/zinc/62/04/76/568620476.db2.gz RTIZAPRRXLLGSQ-LEWJYISDSA-N 1 0 416.566 3.208 50 0 HGAARO COc1ccc(C[NH+]2CCC(NC(=O)Cc3cc(F)c(F)cc3F)CC2)cc1OC ZINC000095478331 568631762 /nfs/dbraw/zinc/63/17/62/568631762.db2.gz CREBKTRRAYARQA-UHFFFAOYSA-N 1 0 422.447 3.444 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000020934594 568652224 /nfs/dbraw/zinc/65/22/24/568652224.db2.gz WVNZSYRVVSVTNR-KRWDZBQOSA-N 1 0 424.570 3.325 50 0 HGAARO CCCC[N@H+](CC)CCCNC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000020942573 568652938 /nfs/dbraw/zinc/65/29/38/568652938.db2.gz ZMUQNFBALYZFOT-UHFFFAOYSA-N 1 0 418.611 3.174 50 0 HGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1ccc(Cl)cc1 ZINC000020994769 568656434 /nfs/dbraw/zinc/65/64/34/568656434.db2.gz APONMHMWKVCWGN-JXFKEZNVSA-N 1 0 407.892 3.487 50 0 HGAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1cccc2c1SCCC2=O ZINC000021103163 568666548 /nfs/dbraw/zinc/66/65/48/568666548.db2.gz VJURHNSEPBKAQZ-UHFFFAOYSA-N 1 0 415.603 3.435 50 0 HGAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1cccc2c1SCCC2=O ZINC000021103318 568666682 /nfs/dbraw/zinc/66/66/82/568666682.db2.gz FIZIZOMIVJTQLR-UHFFFAOYSA-N 1 0 415.603 3.435 50 0 HGAARO Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000096099730 568690716 /nfs/dbraw/zinc/69/07/16/568690716.db2.gz VZHLSWBFNZQAMU-IBGZPJMESA-N 1 0 416.543 3.007 50 0 HGAARO O=S(=O)(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000096099733 568690830 /nfs/dbraw/zinc/69/08/30/568690830.db2.gz RXSUKFQLJKHRLA-HXUWFJFHSA-N 1 0 420.962 3.227 50 0 HGAARO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000229355867 568713966 /nfs/dbraw/zinc/71/39/66/568713966.db2.gz RCMRYSJGVGIADW-MOPGFXCFSA-N 1 0 401.551 3.387 50 0 HGAARO CC[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)Cc1ccccc1 ZINC000021888067 568758829 /nfs/dbraw/zinc/75/88/29/568758829.db2.gz JAHKYLNBBBBGQE-UHFFFAOYSA-N 1 0 415.559 3.152 50 0 HGAARO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022582400 568770787 /nfs/dbraw/zinc/77/07/87/568770787.db2.gz PUPYQSASKOGHAN-NRFANRHFSA-N 1 0 401.938 3.132 50 0 HGAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225571944 568774554 /nfs/dbraw/zinc/77/45/54/568774554.db2.gz YFRDRNNBRAXUBC-SFHVURJKSA-N 1 0 402.539 3.174 50 0 HGAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000299754452 568782194 /nfs/dbraw/zinc/78/21/94/568782194.db2.gz PYDXUZVLGDPNIJ-MJGOQNOKSA-N 1 0 410.518 3.184 50 0 biogenic HGAARO COc1ccc(-c2n[nH]cc2C(=O)N(C)C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000299754484 568782198 /nfs/dbraw/zinc/78/21/98/568782198.db2.gz WCNHTZWYBUIBRT-MJGOQNOKSA-N 1 0 412.534 3.430 50 0 biogenic HGAARO CN(Cc1ccon1)Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000012612824 568871890 /nfs/dbraw/zinc/87/18/90/568871890.db2.gz KUBNZQAZINIPSB-QHCPKHFHSA-N 1 0 407.514 3.105 50 0 HGAARO CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000003290520 568873628 /nfs/dbraw/zinc/87/36/28/568873628.db2.gz JTVNYAMWDNPQQZ-ICSRJNTNSA-N 1 0 403.473 3.138 50 0 HGAARO COCC[NH2+]Cc1cc2ccc(F)cc2nc1N1CCN(c2cccc(OC)c2)CC1 ZINC000299770503 568874077 /nfs/dbraw/zinc/87/40/77/568874077.db2.gz RPCPARRRWTUYJR-UHFFFAOYSA-N 1 0 424.520 3.445 50 0 HGAARO COc1ccccc1[C@@H](CNC(=S)NCc1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000003418076 568899263 /nfs/dbraw/zinc/89/92/63/568899263.db2.gz UMKUBUNQHQMFOK-GOSISDBHSA-N 1 0 413.543 3.225 50 0 HGAARO COc1ccc([C@@H](CNC(=O)NCc2ccc(NC(=O)C(C)C)cc2)[NH+](C)C)cc1 ZINC000030987176 568907638 /nfs/dbraw/zinc/90/76/38/568907638.db2.gz VBSIEPMACPNTSG-OAQYLSRUSA-N 1 0 412.534 3.392 50 0 HGAARO COc1cccc([C@H](CNC(=O)NCc2ccc(NC(=O)C(C)C)cc2)[NH+](C)C)c1 ZINC000030988978 568907708 /nfs/dbraw/zinc/90/77/08/568907708.db2.gz QEDZSGCYIBSNFD-NRFANRHFSA-N 1 0 412.534 3.392 50 0 HGAARO Cc1ccc(-c2cc3n(n2)[C@H](NC2CC[NH+](Cc4ccccc4)CC2)CNC3=O)cc1 ZINC000263615068 568910023 /nfs/dbraw/zinc/91/00/23/568910023.db2.gz AKJFDLRXBKDOID-DEOSSOPVSA-N 1 0 415.541 3.355 50 0 HGAARO CC[NH+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003657824 568923303 /nfs/dbraw/zinc/92/33/03/568923303.db2.gz KXHYPMZPRLGFQF-XZOQPEGZSA-N 1 0 423.557 3.454 50 0 HGAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1 ZINC000012755525 568942832 /nfs/dbraw/zinc/94/28/32/568942832.db2.gz HNDJPUZMIIXMAE-UHFFFAOYSA-N 1 0 419.522 3.229 50 0 HGAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000015682062 568968490 /nfs/dbraw/zinc/96/84/90/568968490.db2.gz CJSOWGPMZLREFU-UHFFFAOYSA-N 1 0 424.570 3.326 50 0 HGAARO Cc1cc2cc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)ccc2o1 ZINC000670466916 568972953 /nfs/dbraw/zinc/97/29/53/568972953.db2.gz BSZDWPFGKHEEID-JKJRPBHFSA-N 1 0 401.510 3.039 50 0 HGAARO O[C@H](COCCOc1ccc(Br)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000004305291 568977053 /nfs/dbraw/zinc/97/70/53/568977053.db2.gz NNJFKJJMJUZTET-IBGZPJMESA-N 1 0 406.320 3.264 50 0 HGAARO C[C@@H]1CSc2ccc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)cc2NC1=O ZINC000015730759 568981383 /nfs/dbraw/zinc/98/13/83/568981383.db2.gz UKKZXFQQCAWCMX-OAHLLOKOSA-N 1 0 423.604 3.006 50 0 HGAARO C[NH+](C)C1(CNC(=O)C[C@@H](c2cnc3ccccc3n2)n2ccnc2)CCCCC1 ZINC000008216651 568982894 /nfs/dbraw/zinc/98/28/94/568982894.db2.gz UHENULNGIGUVNN-NRFANRHFSA-N 1 0 406.534 3.187 50 0 HGAARO Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000012920857 569023183 /nfs/dbraw/zinc/02/31/83/569023183.db2.gz VTGQVEDDACNYHK-GOSISDBHSA-N 1 0 413.522 3.100 50 0 HGAARO O=C(NCC[NH+]1CCCCC1)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC000035398582 569035227 /nfs/dbraw/zinc/03/52/27/569035227.db2.gz BPCNJWOVBCFJGY-UHFFFAOYSA-N 1 0 411.525 3.101 50 0 HGAARO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000007005180 569051725 /nfs/dbraw/zinc/05/17/25/569051725.db2.gz WJPLHJXPELWNIX-OAHLLOKOSA-N 1 0 407.536 3.059 50 0 HGAARO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000013056041 569052837 /nfs/dbraw/zinc/05/28/37/569052837.db2.gz WUVKBQCIVMOZGK-KRWDZBQOSA-N 1 0 417.575 3.267 50 0 HGAARO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000240871443 569054617 /nfs/dbraw/zinc/05/46/17/569054617.db2.gz IKPGIWCZSXJBSX-UPVQGACJSA-N 1 0 407.558 3.220 50 0 HGAARO O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCCN12)c1ccc(F)cc1 ZINC000245246107 569055340 /nfs/dbraw/zinc/05/53/40/569055340.db2.gz IPYORVPWOXDUSZ-HCXYKTFWSA-N 1 0 412.848 3.314 50 0 HGAARO COc1ccc(-c2nc(C(=O)N3CCCC[C@H](N4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000089382638 569058839 /nfs/dbraw/zinc/05/88/39/569058839.db2.gz BYPSTRTUEFIIRW-SFHVURJKSA-N 1 0 414.575 3.061 50 0 HGAARO COc1ccc(-c2nc(N3CCC([NH+]4CCCCC4)CC3)nc3nn(C)c(N)c32)cc1 ZINC000035929352 569066626 /nfs/dbraw/zinc/06/66/26/569066626.db2.gz HAYUSCATJOCXID-UHFFFAOYSA-N 1 0 421.549 3.076 50 0 HGAARO Cc1noc(C)c1CN1CCc2c(C(=O)N(C)C[C@H]3CCCC[N@@H+]3C)csc2C1 ZINC000426432065 569072911 /nfs/dbraw/zinc/07/29/11/569072911.db2.gz VFCBDXGLZQGZBX-QGZVFWFLSA-N 1 0 416.591 3.468 50 0 HGAARO CC[C@H](C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)n1c2ccccc2c2cn[nH]c(=O)c21 ZINC000036118367 569094201 /nfs/dbraw/zinc/09/42/01/569094201.db2.gz RYUKCKMMZBZOQH-ABSDTBQOSA-N 1 0 423.561 3.313 50 0 HGAARO Cc1nc2cc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)ccc2n(Cc2ccccc2)c1=O ZINC000064859413 569109417 /nfs/dbraw/zinc/10/94/17/569109417.db2.gz MLFPSCLCADDHRP-SFHVURJKSA-N 1 0 418.541 3.357 50 0 HGAARO O=C(NCCC[NH+]1CCCC1)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000064872911 569113790 /nfs/dbraw/zinc/11/37/90/569113790.db2.gz FEDPKSRDODIPQU-UHFFFAOYSA-N 1 0 411.525 3.101 50 0 HGAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000019369856 569124496 /nfs/dbraw/zinc/12/44/96/569124496.db2.gz WRMKBSBJQCLVBI-VGUVQKNXSA-N 1 0 424.585 3.089 50 0 biogenic HGAARO CC[NH+](CC)CCNC(=O)CCCn1nc(C)c2sc3ccccc3c2c1=O ZINC000006799420 569126420 /nfs/dbraw/zinc/12/64/20/569126420.db2.gz GXHNQSQJYUPHCS-UHFFFAOYSA-N 1 0 400.548 3.158 50 0 HGAARO Cc1ccc(NC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)c(Br)c1 ZINC000006800212 569126971 /nfs/dbraw/zinc/12/69/71/569126971.db2.gz ZHOFHWNVCUXNAH-UHFFFAOYSA-N 1 0 405.296 3.431 50 0 HGAARO CC(C)c1nc2ccc(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)cc2o1 ZINC000064968396 569138074 /nfs/dbraw/zinc/13/80/74/569138074.db2.gz KTUSDJWFNNAJNH-UHFFFAOYSA-N 1 0 406.530 3.499 50 0 HGAARO CCc1nc(C)nc(N2CC[NH+](C[C@@H](O)C(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000036340779 569141520 /nfs/dbraw/zinc/14/15/20/569141520.db2.gz PMMFDHIAXCCKMC-JOCHJYFZSA-N 1 0 400.542 3.216 50 0 HGAARO Cc1c(C(=O)NCCC[NH+]2CCC(C)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840466 569150863 /nfs/dbraw/zinc/15/08/63/569150863.db2.gz GWBNEWYVLAQMRD-UHFFFAOYSA-N 1 0 416.591 3.345 50 0 HGAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000065023121 569154716 /nfs/dbraw/zinc/15/47/16/569154716.db2.gz WRSLPHAYXGYYGG-LJQANCHMSA-N 1 0 413.541 3.347 50 0 HGAARO Cc1ccc(-c2cnc(CCC(=O)N3CCC(C[NH+]4CCOCC4)CC3)o2)cc1C ZINC000036390540 569165823 /nfs/dbraw/zinc/16/58/23/569165823.db2.gz ZSTMKVMSBCYPCI-UHFFFAOYSA-N 1 0 411.546 3.462 50 0 HGAARO O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065214691 569197514 /nfs/dbraw/zinc/19/75/14/569197514.db2.gz XQHPATYGTPHAHM-UHFFFAOYSA-N 1 0 405.502 3.304 50 0 HGAARO Cc1cc(C)c2c(n1)nc(C(=O)N1CC[NH+](C3CCCCC3)CC1)nc2N1CCCC1 ZINC000065232008 569201261 /nfs/dbraw/zinc/20/12/61/569201261.db2.gz CRSHMPWHCVWVQZ-UHFFFAOYSA-N 1 0 422.577 3.332 50 0 HGAARO COc1ccc2[nH]c(=O)c(CCC(=O)NCC[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000065245554 569205271 /nfs/dbraw/zinc/20/52/71/569205271.db2.gz XUUZCRWGIVIYTQ-UHFFFAOYSA-N 1 0 405.498 3.056 50 0 HGAARO O=C(Cn1nc(C(F)F)c2c1CCC2)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000036613903 569209412 /nfs/dbraw/zinc/20/94/12/569209412.db2.gz BULNQCPWQKIXLO-UHFFFAOYSA-N 1 0 418.532 3.278 50 0 HGAARO COc1cc(CCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000007105776 569220203 /nfs/dbraw/zinc/22/02/03/569220203.db2.gz YOWMCUCTNJEAIU-UHFFFAOYSA-N 1 0 413.518 3.036 50 0 HGAARO CC(C)C[C@@H](CNc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)[NH+](C)C ZINC000036725199 569225467 /nfs/dbraw/zinc/22/54/67/569225467.db2.gz XPGJXXIJGQYWQT-INIZCTEOSA-N 1 0 417.623 3.400 50 0 HGAARO C[NH+](C)C[C@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)[C@@H](O)c1ccccc1 ZINC000065479325 569231622 /nfs/dbraw/zinc/23/16/22/569231622.db2.gz BPDDWYHHXDCHAE-YWZLYKJASA-N 1 0 419.909 3.144 50 0 HGAARO CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000007339614 569234032 /nfs/dbraw/zinc/23/40/32/569234032.db2.gz YWTFGNNUMMUMTO-UHFFFAOYSA-N 1 0 415.559 3.322 50 0 HGAARO Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000007480001 569240432 /nfs/dbraw/zinc/24/04/32/569240432.db2.gz BJGVLARTYHZDOH-UHFFFAOYSA-N 1 0 408.531 3.297 50 0 HGAARO C[C@H]1CN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC[N@@H+]1CC(C)(C)O ZINC000170602689 569243700 /nfs/dbraw/zinc/24/37/00/569243700.db2.gz DDNVCGNCXUWTBV-IBGZPJMESA-N 1 0 418.541 3.457 50 0 HGAARO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000170612232 569246462 /nfs/dbraw/zinc/24/64/62/569246462.db2.gz OWXMCFDETWFBGF-SFHVURJKSA-N 1 0 412.534 3.349 50 0 HGAARO CC(C)(Oc1ccc(F)cc1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000170613590 569246955 /nfs/dbraw/zinc/24/69/55/569246955.db2.gz FGRKZRPEVAULRU-OAQYLSRUSA-N 1 0 400.494 3.390 50 0 HGAARO C[C@H](SC1=N[C@H](c2c[nH]c3ccccc32)NC(=[NH2+])N1)C(=O)N1CCc2ccccc21 ZINC000013579105 569256305 /nfs/dbraw/zinc/25/63/05/569256305.db2.gz MNGDBVFBOPWMRL-ORAYPTAESA-N 1 0 418.526 3.151 50 0 HGAARO CS[C@@H]1CN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C[C@H]1[NH+](C)C ZINC000089637007 569261423 /nfs/dbraw/zinc/26/14/23/569261423.db2.gz JBAUFOGDFHFJDL-QZTJIDSGSA-N 1 0 405.589 3.077 50 0 HGAARO COCCn1c(C)cc(O)c([C@@H](c2ccc(OC)c(OC)c2)[NH+]2CCCCC2)c1=O ZINC000016993339 569270814 /nfs/dbraw/zinc/27/08/14/569270814.db2.gz KKCOYIQDKIYXSY-JOCHJYFZSA-N 1 0 416.518 3.101 50 0 HGAARO CCOCCC[N@@H+]1CC[C@@H](N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)[C@@H](C)C1 ZINC000252551326 569294178 /nfs/dbraw/zinc/29/41/78/569294178.db2.gz UCENJBIKSGKDRS-QFBILLFUSA-N 1 0 407.942 3.241 50 0 HGAARO COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000252587219 569294863 /nfs/dbraw/zinc/29/48/63/569294863.db2.gz WJPHAQKMPWMYMB-DYESRHJHSA-N 1 0 410.514 3.303 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C[C@H](O)C[NH+](C)C)c2cc(Cl)ccc2Cl)cc1 ZINC000002202325 569295617 /nfs/dbraw/zinc/29/56/17/569295617.db2.gz QSWBEPXPPKTGDS-OAHLLOKOSA-N 1 0 417.358 3.420 50 0 HGAARO COC(=O)[C@@H]1C(=O)O[C@]2(C)C[N@@H+](Cc3ccccc3)[C@H](c3ccccc3OC)C[C@@H]12 ZINC000252607826 569297784 /nfs/dbraw/zinc/29/77/84/569297784.db2.gz HEUNBANUVDXSGE-JGUFOIBDSA-N 1 0 409.482 3.363 50 0 HGAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)C2)CC1 ZINC000581819686 569320809 /nfs/dbraw/zinc/32/08/09/569320809.db2.gz CATAXIACOWCJRH-JOCHJYFZSA-N 1 0 424.589 3.348 50 0 HGAARO Cn1cccc1C(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581819756 569320814 /nfs/dbraw/zinc/32/08/14/569320814.db2.gz INSDKBZSKSTPES-JOCHJYFZSA-N 1 0 422.573 3.001 50 0 HGAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4cccc5[nH]ccc54)CC3)C2)CC1 ZINC000581820099 569320892 /nfs/dbraw/zinc/32/08/92/569320892.db2.gz QWZNYXPYKQPKJP-FQEVSTJZSA-N 1 0 424.589 3.348 50 0 HGAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4cc5ccccc5[nH]4)CC3)C2)CC1 ZINC000581819833 569320963 /nfs/dbraw/zinc/32/09/63/569320963.db2.gz NKSGDNNSSBLOIX-OAQYLSRUSA-N 1 0 424.589 3.348 50 0 HGAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000253424168 569368128 /nfs/dbraw/zinc/36/81/28/569368128.db2.gz BJPFRDAMCPEPAV-HNNXBMFYSA-N 1 0 422.327 3.173 50 0 HGAARO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@H](O)[C@H]12 ZINC000012660016 569402630 /nfs/dbraw/zinc/40/26/30/569402630.db2.gz SYTZVGPWDLPTPO-GXNVDWLQSA-N 1 0 413.558 3.325 50 0 biogenic HGAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2OC)cc1 ZINC000013038630 569407750 /nfs/dbraw/zinc/40/77/50/569407750.db2.gz RBCOZARGHBJYNL-INIZCTEOSA-N 1 0 419.547 3.015 50 0 HGAARO CCC(CC)(C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000078733096 569420141 /nfs/dbraw/zinc/42/01/41/569420141.db2.gz BKLZCTNIRKCYSA-UHFFFAOYSA-N 1 0 407.986 3.314 50 0 HGAARO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccccc1 ZINC000079025846 569424832 /nfs/dbraw/zinc/42/48/32/569424832.db2.gz NKRXCDKUDXPWOC-BTYIYWSLSA-N 1 0 411.527 3.095 50 0 HGAARO COc1cc(OC)cc(C(=O)N(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000079026015 569424890 /nfs/dbraw/zinc/42/48/90/569424890.db2.gz WLFWSHBEPLDWJJ-QHCPKHFHSA-N 1 0 412.530 3.221 50 0 HGAARO CC(C)(C)NC(=O)C[N@@H+]1CCCN(c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000008726321 571108426 /nfs/dbraw/zinc/10/84/26/571108426.db2.gz RJIPMRMBPJDIMO-UHFFFAOYSA-N 1 0 418.545 3.119 50 0 HGAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000008893105 571142795 /nfs/dbraw/zinc/14/27/95/571142795.db2.gz CPMIVAALUXGRKN-QGZVFWFLSA-N 1 0 415.515 3.149 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000040107112 571167564 /nfs/dbraw/zinc/16/75/64/571167564.db2.gz FSZYCOMHSFIOPK-SFHVURJKSA-N 1 0 414.571 3.393 50 0 HGAARO CCOc1ccc(N2C[C@H](C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2=O)cc1 ZINC000040108152 571168040 /nfs/dbraw/zinc/16/80/40/571168040.db2.gz QXHIVMDJNHJBNT-RBUKOAKNSA-N 1 0 401.551 3.209 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccs1 ZINC000040120001 571176110 /nfs/dbraw/zinc/17/61/10/571176110.db2.gz NHVYILMJRIJWMW-HKUYNNGSSA-N 1 0 417.550 3.087 50 0 HGAARO O=C1CCCC[C@H]1[NH+]1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000244975228 571211358 /nfs/dbraw/zinc/21/13/58/571211358.db2.gz IHILJPQZXYOGHP-GOSISDBHSA-N 1 0 410.484 3.199 50 0 HGAARO Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000069922917 571249817 /nfs/dbraw/zinc/24/98/17/571249817.db2.gz JQOSJGCOOGNXGH-UHFFFAOYSA-N 1 0 416.529 3.155 50 0 HGAARO Cc1cc(C(=O)CCC(=O)NCc2ccc(N3CCC[N@@H+](C)CC3)nc2)c(C)s1 ZINC000070037572 571254742 /nfs/dbraw/zinc/25/47/42/571254742.db2.gz KMORQZHQCPKUJX-UHFFFAOYSA-N 1 0 414.575 3.181 50 0 HGAARO CC[NH+](CC)CCCNC(=O)c1cn(-c2cccc(OC)c2)c(=O)c2ccccc12 ZINC000009438716 571258963 /nfs/dbraw/zinc/25/89/63/571258963.db2.gz DQDDJGGORNUYMR-UHFFFAOYSA-N 1 0 407.514 3.461 50 0 HGAARO O=C(NCc1cccs1)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010334025 571300680 /nfs/dbraw/zinc/30/06/80/571300680.db2.gz FTJCINLBOKTOTD-NRFANRHFSA-N 1 0 407.539 3.471 50 0 HGAARO CCc1nc2ccccc2n1CC(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000071839262 571302760 /nfs/dbraw/zinc/30/27/60/571302760.db2.gz BNNZPEPBDFJNRN-UHFFFAOYSA-N 1 0 421.545 3.309 50 0 HGAARO Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3N3CC[NH+](C)CC3)n2)cc1 ZINC000004057363 132270601 /nfs/dbraw/zinc/27/06/01/132270601.db2.gz NHXXAIOLFGICFD-UHFFFAOYSA-N 1 0 405.502 3.368 50 0 HGAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000004707008 132284458 /nfs/dbraw/zinc/28/44/58/132284458.db2.gz HJKIVJJHBYFQHP-UHFFFAOYSA-N 1 0 411.521 3.395 50 0 HGAARO CCNC(=O)c1ccc(CSc2nc(C)c(C)c(N3CC[NH+](CC)CC3)n2)cc1 ZINC000006765108 132315336 /nfs/dbraw/zinc/31/53/36/132315336.db2.gz LSGHANDMZJPOHD-UHFFFAOYSA-N 1 0 413.591 3.277 50 0 HGAARO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000012307876 132358299 /nfs/dbraw/zinc/35/82/99/132358299.db2.gz YFJDDEGSIGHFJK-HSZRJFAPSA-N 1 0 407.558 3.350 50 0 HGAARO COC(=O)CC[C@H](C)[NH+]1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000012320369 132358528 /nfs/dbraw/zinc/35/85/28/132358528.db2.gz SNLKPZKGLKZJSA-FQEVSTJZSA-N 1 0 415.578 3.169 50 0 HGAARO C[C@@H](CCn1cccn1)[NH+]1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012439662 132360150 /nfs/dbraw/zinc/36/01/50/132360150.db2.gz UCUJVUFHPFGBOS-IBGZPJMESA-N 1 0 402.546 3.430 50 0 HGAARO C[C@@H]1CCc2c(sc3ncnc(NCCC[NH+]4CCN(c5ncccn5)CC4)c23)C1 ZINC000012771660 132366902 /nfs/dbraw/zinc/36/69/02/132366902.db2.gz DWGCVUNPMJGYQU-MRXNPFEDSA-N 1 0 423.590 3.230 50 0 HGAARO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Br)cc1F ZINC000012900881 132368359 /nfs/dbraw/zinc/36/83/59/132368359.db2.gz MRJRNBIEXOVOGU-UHFFFAOYSA-N 1 0 407.287 3.134 50 0 HGAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCCN(c4nccc(C)n4)C3)CC2)c1 ZINC000035454342 132802010 /nfs/dbraw/zinc/80/20/10/132802010.db2.gz NEEXXOUGPHGDFK-HSZRJFAPSA-N 1 0 421.589 3.338 50 0 HGAARO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032399032 519798319 /nfs/dbraw/zinc/79/83/19/519798319.db2.gz LQSSUHLMADYJJS-JOCHJYFZSA-N 1 0 411.521 3.145 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)NCCOc1ccc(OC)cc1)c1cccc(OC)c1 ZINC000032802478 520834978 /nfs/dbraw/zinc/83/49/78/520834978.db2.gz INAAGOHLXQKPIN-QFIPXVFZSA-N 1 0 415.534 3.465 50 0 HGAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](CC3=Cc4cc(Cl)ccc4OC3)C2)CC1 ZINC000020540301 520962318 /nfs/dbraw/zinc/96/23/18/520962318.db2.gz WITDILJSJTVVLI-FQEVSTJZSA-N 1 0 419.953 3.354 50 0 HGAARO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000032847904 521699727 /nfs/dbraw/zinc/69/97/27/521699727.db2.gz ZUOZMXPFXQCIMG-UHFFFAOYSA-N 1 0 415.921 3.434 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccc(F)c1 ZINC000032795271 522019874 /nfs/dbraw/zinc/01/98/74/522019874.db2.gz LPUZKUBQUBNCIT-BEFAXECRSA-N 1 0 403.885 3.251 50 0 HGAARO COc1ccc(-c2nc3c4c(C)c(C)n(CCC[NH+]5CCOCC5)c4ncn3n2)cc1 ZINC000020573087 523226999 /nfs/dbraw/zinc/22/69/99/523226999.db2.gz LOCVKUPGXRPRFN-UHFFFAOYSA-N 1 0 420.517 3.094 50 0 HGAARO O=C(NCc1ccc(N2CCCC2=O)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000032863221 526682245 /nfs/dbraw/zinc/68/22/45/526682245.db2.gz SBTZXNCTWKHCLK-UHFFFAOYSA-N 1 0 406.530 3.409 50 0 HGAARO OCC[NH+]1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000020535681 527553050 /nfs/dbraw/zinc/55/30/50/527553050.db2.gz OWUSKLHXJTWOIE-UHFFFAOYSA-N 1 0 416.525 3.455 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000006782558 535559383 /nfs/dbraw/zinc/55/93/83/535559383.db2.gz XIROBNIRYHIUSE-LJQANCHMSA-N 1 0 405.546 3.304 50 0 HGAARO COc1ccc2[nH+]c(C)cc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)c2c1 ZINC000006510455 537048092 /nfs/dbraw/zinc/04/80/92/537048092.db2.gz OOKTUNYXLPGFGA-UHFFFAOYSA-N 1 0 415.490 3.202 50 0 HGAARO C[NH+](C)CCNC(=O)[C@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034710129 557390010 /nfs/dbraw/zinc/39/00/10/557390010.db2.gz SUPQUTHCNXNBFZ-WMZOPIPTSA-N 1 0 411.468 3.073 50 0 HGAARO COCCN(C[C@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccc(C)cc1)C(=O)COC ZINC000034740440 557443884 /nfs/dbraw/zinc/44/38/84/557443884.db2.gz IEUKMFGNDISNEL-IRLDBZIGSA-N 1 0 416.587 3.394 50 0 HGAARO CCCCOC(=O)c1ccc(NC(=O)C(=O)NCCC[NH+](CCC)CCC)cc1 ZINC000005590942 557663829 /nfs/dbraw/zinc/66/38/29/557663829.db2.gz IGAXFESVFUSPGR-UHFFFAOYSA-N 1 0 405.539 3.210 50 0 HGAARO CC(=O)Oc1c(C)cc(OC[C@H](O)C[NH2+]CCOc2ccccc2C)c(C)c1C ZINC000006504800 557705958 /nfs/dbraw/zinc/70/59/58/557705958.db2.gz MQBHPOWESALHTB-HXUWFJFHSA-N 1 0 401.503 3.254 50 0 HGAARO Cc1ncc2c(c1-c1noc(-c3ccc[nH]3)n1)CC[N@@H+]([C@H](C)CCn1cccn1)C2 ZINC000019731128 558259529 /nfs/dbraw/zinc/25/95/29/558259529.db2.gz GJOMGONYZVXJOD-OAHLLOKOSA-N 1 0 403.490 3.469 50 0 HGAARO COc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)cc1O ZINC000011783971 558275305 /nfs/dbraw/zinc/27/53/05/558275305.db2.gz PPRXQYBOTFAXTE-FQEVSTJZSA-N 1 0 410.514 3.344 50 0 HGAARO COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+](CCc2ccccc2)CC3)cc1 ZINC000019773517 558280510 /nfs/dbraw/zinc/28/05/10/558280510.db2.gz GONNSWUDWPWJMF-UHFFFAOYSA-N 1 0 421.541 3.209 50 0 HGAARO CCO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1cc[nH]n1)CC2 ZINC000011840382 558286377 /nfs/dbraw/zinc/28/63/77/558286377.db2.gz LSDMKKALKPMUKG-YADHBBJMSA-N 1 0 420.513 3.426 50 0 HGAARO O=C(c1cn(Cc2cccc(Cl)c2)nn1)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000011843580 558288549 /nfs/dbraw/zinc/28/85/49/558288549.db2.gz NTMPIFACCNECIV-GOSISDBHSA-N 1 0 401.942 3.318 50 0 HGAARO CSC[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000011874671 558292257 /nfs/dbraw/zinc/29/22/57/558292257.db2.gz CXKYLGBUSCPJBN-CQSZACIVSA-N 1 0 402.520 3.253 50 0 HGAARO COc1ccc(NC(=O)CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c(OC)c1 ZINC000019851338 558295592 /nfs/dbraw/zinc/29/55/92/558295592.db2.gz XPZFRQSPGQZWCH-RMKNXTFCSA-N 1 0 409.530 3.363 50 0 HGAARO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccccc1)CC2 ZINC000011910767 558296662 /nfs/dbraw/zinc/29/66/62/558296662.db2.gz ZPINOFVFIKJHCG-IBGZPJMESA-N 1 0 407.518 3.447 50 0 HGAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cc4ccccc4o3)CC2)O1)C1CCOCC1 ZINC000011964020 558303999 /nfs/dbraw/zinc/30/39/99/558303999.db2.gz ANUJYHMFEHXXIC-HXUWFJFHSA-N 1 0 412.530 3.489 50 0 HGAARO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012004066 558308729 /nfs/dbraw/zinc/30/87/29/558308729.db2.gz XVLMVUJOBDFMRK-GOSISDBHSA-N 1 0 403.954 3.069 50 0 HGAARO COC(=O)CCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012025134 558309953 /nfs/dbraw/zinc/30/99/53/558309953.db2.gz SZKBGFKGTVEJCC-QGZVFWFLSA-N 1 0 414.468 3.372 50 0 HGAARO CC(C)C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012034720 558311584 /nfs/dbraw/zinc/31/15/84/558311584.db2.gz IHLVIRNPCJHOPQ-MRXNPFEDSA-N 1 0 424.574 3.293 50 0 HGAARO CC[NH+]1CCN(CC(=O)NC2=Nc3ccccc3N=C(C)[C@@H]2c2ccccc2)CC1 ZINC000019938258 558312866 /nfs/dbraw/zinc/31/28/66/558312866.db2.gz WVOMBQKFGLFIJF-HSZRJFAPSA-N 1 0 403.530 3.360 50 0 HGAARO CCn1cc(C[NH+]2CCC(n3nccc3NC(=O)[C@@H](OC)c3ccccc3)CC2)cn1 ZINC000012051331 558314174 /nfs/dbraw/zinc/31/41/74/558314174.db2.gz JPSMTLQDFHECRZ-QFIPXVFZSA-N 1 0 422.533 3.263 50 0 HGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CCCC1=O ZINC000012072669 558318009 /nfs/dbraw/zinc/31/80/09/558318009.db2.gz VRBMZAOYCSDDHR-IBGZPJMESA-N 1 0 405.970 3.065 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCC[C@H]2CO)c1 ZINC000012076350 558320140 /nfs/dbraw/zinc/32/01/40/558320140.db2.gz DRMLUZBYEQLBKX-SFHVURJKSA-N 1 0 402.535 3.078 50 0 HGAARO Cc1nn(C)cc1CN(C)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012091518 558324123 /nfs/dbraw/zinc/32/41/23/558324123.db2.gz UXQLCWHKUYKCCW-HSZRJFAPSA-N 1 0 414.594 3.365 50 0 HGAARO Cc1nn(C)cc1CN(C)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012091515 558324271 /nfs/dbraw/zinc/32/42/71/558324271.db2.gz UXQLCWHKUYKCCW-QHCPKHFHSA-N 1 0 414.594 3.365 50 0 HGAARO COc1cc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc(OC)c1O ZINC000020064772 558330271 /nfs/dbraw/zinc/33/02/71/558330271.db2.gz GIJUQPBOQFXUQK-UHFFFAOYSA-N 1 0 411.546 3.196 50 0 HGAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3ccc4nsnc4c3)C2)CC1 ZINC000020119085 558336788 /nfs/dbraw/zinc/33/67/88/558336788.db2.gz QNWVDPVAHZYNDK-LJQANCHMSA-N 1 0 423.586 3.487 50 0 HGAARO CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000020391401 558359039 /nfs/dbraw/zinc/35/90/39/558359039.db2.gz NHZZGNAMAAEEJA-CTUHWIOQSA-N 1 0 416.562 3.472 50 0 HGAARO O=C(NCCc1ccccn1)[C@H]1CC12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000012247266 558361956 /nfs/dbraw/zinc/36/19/56/558361956.db2.gz ZQNXVDJJDMVVIB-GOSISDBHSA-N 1 0 407.543 3.047 50 0 HGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012297369 558367437 /nfs/dbraw/zinc/36/74/37/558367437.db2.gz GWXJFQRUOAOVGP-IBGZPJMESA-N 1 0 418.497 3.494 50 0 HGAARO COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012321969 558382549 /nfs/dbraw/zinc/38/25/49/558382549.db2.gz LBNJDDPKEWIUHA-UHFFFAOYSA-N 1 0 400.519 3.468 50 0 HGAARO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 ZINC000012386380 558395340 /nfs/dbraw/zinc/39/53/40/558395340.db2.gz ROWITTYJQSSIAP-HNNXBMFYSA-N 1 0 404.536 3.038 50 0 HGAARO COC(=O)CCC(=O)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012434442 558408395 /nfs/dbraw/zinc/40/83/95/558408395.db2.gz ZQATVTJYZAYCJN-FQEVSTJZSA-N 1 0 401.551 3.408 50 0 HGAARO CCc1ccc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)o1 ZINC000012439781 558411284 /nfs/dbraw/zinc/41/12/84/558411284.db2.gz AXTTZUBCGSGNBR-UHFFFAOYSA-N 1 0 416.518 3.270 50 0 HGAARO Cc1cc(CN(C)C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)[nH]n1 ZINC000012446792 558414367 /nfs/dbraw/zinc/41/43/67/558414367.db2.gz NPUAHYRXNHOJEI-UHFFFAOYSA-N 1 0 419.529 3.429 50 0 HGAARO COCc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)o1 ZINC000012454754 558416877 /nfs/dbraw/zinc/41/68/77/558416877.db2.gz WODPVXHSTLVZSD-UHFFFAOYSA-N 1 0 400.519 3.461 50 0 HGAARO Cc1nnc(CN(C)Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)o1 ZINC000012570738 558428838 /nfs/dbraw/zinc/42/88/38/558428838.db2.gz JMSBTZJZUREUFU-FQEVSTJZSA-N 1 0 402.539 3.014 50 0 HGAARO O=C(Nc1ccnn1C1CC[NH+](C2CCSCC2)CC1)c1ccc2c(c1)OCO2 ZINC000012575356 558430628 /nfs/dbraw/zinc/43/06/28/558430628.db2.gz MPOQRYHFFUEYGZ-UHFFFAOYSA-N 1 0 414.531 3.397 50 0 HGAARO Cc1ccccc1Cn1cc(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC000012576678 558431068 /nfs/dbraw/zinc/43/10/68/558431068.db2.gz MIZJOZMIXMFSNX-UHFFFAOYSA-N 1 0 417.557 3.319 50 0 HGAARO COCc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)o1 ZINC000012584293 558433577 /nfs/dbraw/zinc/43/35/77/558433577.db2.gz IYMOTSQRBMSVTJ-MRXNPFEDSA-N 1 0 402.491 3.085 50 0 HGAARO CCOc1cc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)ccc1OC ZINC000012597167 558438177 /nfs/dbraw/zinc/43/81/77/558438177.db2.gz MKJAOLBREUBGKW-HXUWFJFHSA-N 1 0 404.551 3.381 50 0 HGAARO CCOc1cc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)ccc1OC ZINC000012597165 558438219 /nfs/dbraw/zinc/43/82/19/558438219.db2.gz MKJAOLBREUBGKW-FQEVSTJZSA-N 1 0 404.551 3.381 50 0 HGAARO Cc1cc(N2CCN(C(=O)[C@H]3CCC(=O)N(CC4CCCCC4)C3)CC2)cc(C)[nH+]1 ZINC000012708060 558450766 /nfs/dbraw/zinc/45/07/66/558450766.db2.gz LDZGSKBSDLHKQO-NRFANRHFSA-N 1 0 412.578 3.166 50 0 HGAARO COc1ccc(CC(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)cc1 ZINC000021843152 558451943 /nfs/dbraw/zinc/45/19/43/558451943.db2.gz RZZUJBSIFSOSKP-UHFFFAOYSA-N 1 0 418.335 3.391 50 0 HGAARO CC[NH+](CC)C[C@H](O)COc1ccc(CNCc2c(F)cccc2F)cc1OC ZINC000012714076 558454076 /nfs/dbraw/zinc/45/40/76/558454076.db2.gz OTPYETOJGUGYPN-KRWDZBQOSA-N 1 0 408.489 3.345 50 0 HGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CCCn1cncn1 ZINC000012714390 558454290 /nfs/dbraw/zinc/45/42/90/558454290.db2.gz BSYXLSHJMCTQDD-HXUWFJFHSA-N 1 0 401.530 3.001 50 0 HGAARO S=c1oc(-c2ccc3c(c2)OCO3)nn1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022036856 558459237 /nfs/dbraw/zinc/45/92/37/558459237.db2.gz IPWOYQZUHCRHCN-UHFFFAOYSA-N 1 0 410.499 3.377 50 0 HGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000012789129 558464426 /nfs/dbraw/zinc/46/44/26/558464426.db2.gz XJVOGKMTXGPHAM-HSZRJFAPSA-N 1 0 411.509 3.484 50 0 HGAARO O=C(CCNC(=O)c1ccc(F)cc1F)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000022277245 558475721 /nfs/dbraw/zinc/47/57/21/558475721.db2.gz MEQOVYDYGRQSRA-UHFFFAOYSA-N 1 0 415.484 3.387 50 0 HGAARO OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1CCc1ccccc1 ZINC000022932835 558485894 /nfs/dbraw/zinc/48/58/94/558485894.db2.gz JWKRBUIXPMHKTO-QHCPKHFHSA-N 1 0 418.541 3.380 50 0 HGAARO O=C(CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccc2nsnc2c1 ZINC000022752148 558507603 /nfs/dbraw/zinc/50/76/03/558507603.db2.gz VIMQXZUMJXEIGA-UHFFFAOYSA-N 1 0 411.575 3.216 50 0 HGAARO CC(C)[C@H](CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)[NH+](C)C ZINC000022754478 558508090 /nfs/dbraw/zinc/50/80/90/558508090.db2.gz VGXMPTSHGXICLL-IRXDYDNUSA-N 1 0 402.366 3.450 50 0 HGAARO CCOc1ccc(NC(=O)CN2CCN(Cc3ccccc3F)CC2)cc1OCC ZINC000022834495 558515820 /nfs/dbraw/zinc/51/58/20/558515820.db2.gz PYFFAFDZVHIWTH-UHFFFAOYSA-N 1 0 415.509 3.379 50 0 HGAARO Cn1c(CCN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000022930745 558524221 /nfs/dbraw/zinc/52/42/21/558524221.db2.gz XXRUHPVVABVLIJ-UHFFFAOYSA-N 1 0 411.937 3.269 50 0 HGAARO COc1ccc(OC)c(NC(=O)CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000023095824 558534121 /nfs/dbraw/zinc/53/41/21/558534121.db2.gz YOCUMWCOKPSUAA-UHFFFAOYSA-N 1 0 413.562 3.229 50 0 HGAARO C[NH+]1CCC(N2CCN(Cc3ccc(OCc4ccccc4)cc3)C[C@@H]2CCO)CC1 ZINC000023373483 558553639 /nfs/dbraw/zinc/55/36/39/558553639.db2.gz ITIBVDKDQXCLAP-VWLOTQADSA-N 1 0 423.601 3.228 50 0 HGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1 ZINC000012448101 558592656 /nfs/dbraw/zinc/59/26/56/558592656.db2.gz NJOTWNXTGFCRNO-QFIPXVFZSA-N 1 0 420.557 3.075 50 0 HGAARO C[NH+](C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2c(cccc2F)s1 ZINC000004478815 558601342 /nfs/dbraw/zinc/60/13/42/558601342.db2.gz WEKQMVJWYQSFMX-MRXNPFEDSA-N 1 0 401.463 3.170 50 0 HGAARO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000024770957 558611933 /nfs/dbraw/zinc/61/19/33/558611933.db2.gz LWULTINOGJGVII-UHFFFAOYSA-N 1 0 421.607 3.209 50 0 HGAARO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000025311825 558637508 /nfs/dbraw/zinc/63/75/08/558637508.db2.gz NBFPUPNJPYWEJN-UHFFFAOYSA-N 1 0 408.502 3.005 50 0 HGAARO COc1cccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)[NH+]2CCCC2)c1 ZINC000014232618 558640311 /nfs/dbraw/zinc/64/03/11/558640311.db2.gz YWZYPQDOSFHQEF-LJQANCHMSA-N 1 0 411.527 3.306 50 0 HGAARO Cc1cc(=O)c(C(=O)NCC2([NH+](C)C)CCCCCC2)nn1-c1ccccc1F ZINC000025443693 558641213 /nfs/dbraw/zinc/64/12/13/558641213.db2.gz XMKOPFHRHFHKAX-UHFFFAOYSA-N 1 0 400.498 3.064 50 0 HGAARO COc1cc(C(C)=O)ccc1OCC(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025534956 558642991 /nfs/dbraw/zinc/64/29/91/558642991.db2.gz KIDJPEQIOOBKOY-JOCHJYFZSA-N 1 0 424.541 3.476 50 0 HGAARO Cc1cc(-c2nc(-c3ccc(F)cc3)no2)c(C)n1CC(=O)N1CCC[N@@H+](C)CC1 ZINC000065195018 558654959 /nfs/dbraw/zinc/65/49/59/558654959.db2.gz NRHANFIWPCIOLW-UHFFFAOYSA-N 1 0 411.481 3.125 50 0 HGAARO CC(C)CN1C(=O)N(C)C(=O)C12CC[NH+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000014531313 558656043 /nfs/dbraw/zinc/65/60/43/558656043.db2.gz HEEQBLZODMVMFH-UHFFFAOYSA-N 1 0 413.440 3.470 50 0 HGAARO CCc1nc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)nn1-c1c(Cl)cccc1Cl ZINC000069982357 558665568 /nfs/dbraw/zinc/66/55/68/558665568.db2.gz SPLUCSBYTLLQBN-ZDUSSCGKSA-N 1 0 408.333 3.447 50 0 HGAARO CO[C@@H]1CN(Cc2ccccc2)C(=O)CN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000014732145 558665654 /nfs/dbraw/zinc/66/56/54/558665654.db2.gz IRESWUYACHEPQW-VWLOTQADSA-N 1 0 421.585 3.053 50 0 HGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)CC2 ZINC000014740928 558666892 /nfs/dbraw/zinc/66/68/92/558666892.db2.gz PYKQRSOSOOYDNN-KRWDZBQOSA-N 1 0 414.456 3.211 50 0 HGAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014741748 558667151 /nfs/dbraw/zinc/66/71/51/558667151.db2.gz UKGHQQGQAMXRIO-HXUWFJFHSA-N 1 0 406.574 3.389 50 0 HGAARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1=O ZINC000014743962 558668076 /nfs/dbraw/zinc/66/80/76/558668076.db2.gz BUAIQXZTJPZPDX-UHFFFAOYSA-N 1 0 415.534 3.123 50 0 HGAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([N@H+]1CC=C(c3ccccc3)CC1)C2 ZINC000014745308 558668725 /nfs/dbraw/zinc/66/87/25/558668725.db2.gz IWFRDAWXWLNPNV-NRFANRHFSA-N 1 0 420.557 3.022 50 0 HGAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014746966 558669356 /nfs/dbraw/zinc/66/93/56/558669356.db2.gz CTHLKOPMHBDUNP-UHFFFAOYSA-N 1 0 406.530 3.333 50 0 HGAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([N@H+](C)Cc1ccccc1)C2 ZINC000014748896 558670149 /nfs/dbraw/zinc/67/01/49/558670149.db2.gz NBKDHJYLLCHLCN-FQEVSTJZSA-N 1 0 410.562 3.001 50 0 HGAARO O=C(Cc1c(F)cccc1F)NC[C@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000014884383 558677256 /nfs/dbraw/zinc/67/72/56/558677256.db2.gz LVHZKKHDSPHFSH-GOSISDBHSA-N 1 0 415.484 3.232 50 0 HGAARO Cc1cccc(C)c1OCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000027793249 558682663 /nfs/dbraw/zinc/68/26/63/558682663.db2.gz VSDNSRRDXDESDD-OAQYLSRUSA-N 1 0 415.965 3.441 50 0 HGAARO COc1ccccc1CCN1C(=O)CC[C@@H]1CC[NH2+]CCOc1ccc(F)cc1 ZINC000014961369 558684160 /nfs/dbraw/zinc/68/41/60/558684160.db2.gz WSWRIELYTAIXOT-HXUWFJFHSA-N 1 0 400.494 3.427 50 0 HGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4c(c3)no[n+]4[O-])C2)cc1 ZINC000014966592 558685892 /nfs/dbraw/zinc/68/58/92/558685892.db2.gz AMOVUOOYIHATNF-HXUWFJFHSA-N 1 0 408.502 3.054 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2cccs2)CC1 ZINC000014973645 558688482 /nfs/dbraw/zinc/68/84/82/558688482.db2.gz HERAFSBCURYSBU-UHFFFAOYSA-N 1 0 404.532 3.176 50 0 HGAARO CC(C)C(=O)NCCc1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000014992636 558695020 /nfs/dbraw/zinc/69/50/20/558695020.db2.gz SGVNGIVGLROXGB-UHFFFAOYSA-N 1 0 417.557 3.318 50 0 HGAARO CCOC(=O)C1CC[NH+](Cc2cc3ccc(F)cc3n(Cc3ccncc3)c2=O)CC1 ZINC000015007778 558699199 /nfs/dbraw/zinc/69/91/99/558699199.db2.gz DMUJJWVTWOZFFB-UHFFFAOYSA-N 1 0 423.488 3.359 50 0 HGAARO COCC[NH2+][C@@H]1CCc2c(sc3ncn(CCc4ccccc4Cl)c(=O)c23)C1 ZINC000015072115 558713506 /nfs/dbraw/zinc/71/35/06/558713506.db2.gz NOYRYZSDAFGKPL-OAHLLOKOSA-N 1 0 417.962 3.447 50 0 HGAARO Cc1nnc([C@H](C)NC(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)[nH]1 ZINC000015073485 558714273 /nfs/dbraw/zinc/71/42/73/558714273.db2.gz QJZAKVKFNGNIQQ-KRWDZBQOSA-N 1 0 403.530 3.002 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000029562904 558716771 /nfs/dbraw/zinc/71/67/71/558716771.db2.gz ZWWWNLBHSRKUOG-UHFFFAOYSA-N 1 0 423.538 3.276 50 0 HGAARO Cc1cccc(C(=O)N2CCC[N@H+](CCC(=O)Nc3ccnn3C3CCCC3)CC2)c1 ZINC000029851414 558722578 /nfs/dbraw/zinc/72/25/78/558722578.db2.gz OHRXEDVCSBKENO-UHFFFAOYSA-N 1 0 423.561 3.483 50 0 HGAARO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304993 558757075 /nfs/dbraw/zinc/75/70/75/558757075.db2.gz HHPIENICULYOPB-WOJBJXKFSA-N 1 0 403.592 3.031 50 0 HGAARO CS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000060239229 558782240 /nfs/dbraw/zinc/78/22/40/558782240.db2.gz ACYPJXCDOBJMDU-UHFFFAOYSA-N 1 0 415.559 3.364 50 0 HGAARO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ncnc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000034857411 558785263 /nfs/dbraw/zinc/78/52/63/558785263.db2.gz CVRGDJYUQLNTKM-MRXNPFEDSA-N 1 0 415.607 3.197 50 0 HGAARO O=C(CCN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCCCC1)N1CC[NH2+]CC1 ZINC000035421929 558791555 /nfs/dbraw/zinc/79/15/55/558791555.db2.gz USMHQQNDNRSFBN-UHFFFAOYSA-N 1 0 411.468 3.302 50 0 HGAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000036095780 558797654 /nfs/dbraw/zinc/79/76/54/558797654.db2.gz YWZVMCXBNCBSLJ-FQEVSTJZSA-N 1 0 401.503 3.410 50 0 HGAARO Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCCC[NH+]3CCCC3)s2)cc1 ZINC000032995149 558809392 /nfs/dbraw/zinc/80/93/92/558809392.db2.gz SINNCHPLRZKOQI-UHFFFAOYSA-N 1 0 415.563 3.024 50 0 HGAARO CCCn1cc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c(C)n1 ZINC000039485855 558821739 /nfs/dbraw/zinc/82/17/39/558821739.db2.gz GKQYUBUCWIZREF-HSZRJFAPSA-N 1 0 414.594 3.296 50 0 HGAARO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCC[NH+]3CCCCC3)C2)s1 ZINC000033078430 558867946 /nfs/dbraw/zinc/86/79/46/558867946.db2.gz VNAMNTIUOJFAQI-KRWDZBQOSA-N 1 0 415.607 3.462 50 0 HGAARO Cc1ccc2c(c1)c1c3n2CCN(CC(O)C[NH2+]CN2CCCCCC2)C3CCC1 ZINC000019332249 558868718 /nfs/dbraw/zinc/86/87/18/558868718.db2.gz KTBVROFFDADDER-GBXCKJPGSA-N 1 0 410.606 3.427 50 0 HGAARO CCCc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)n(C)n1 ZINC000055108261 558872827 /nfs/dbraw/zinc/87/28/27/558872827.db2.gz TXFWSNAXGHYMGS-OAQYLSRUSA-N 1 0 409.578 3.108 50 0 HGAARO Cc1noc([C@H]2CCCN2Cc2ccccc2OCCCC[NH+]2CCOCC2)n1 ZINC000055405246 558881061 /nfs/dbraw/zinc/88/10/61/558881061.db2.gz FJRGOBCMEIZWAS-HXUWFJFHSA-N 1 0 400.523 3.206 50 0 HGAARO O=C(c1cc2ccccc2[nH]1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071422152 558897907 /nfs/dbraw/zinc/89/79/07/558897907.db2.gz VFZJYFBIWWTRCH-IBGZPJMESA-N 1 0 408.546 3.107 50 0 HGAARO Cc1nc(-c2ccc(NC(=O)N(CCc3ccccc3)CC[NH+](C)C)cc2)cc(=O)[nH]1 ZINC000058077578 558898007 /nfs/dbraw/zinc/89/80/07/558898007.db2.gz IAJWCSNZJRJOHZ-UHFFFAOYSA-N 1 0 419.529 3.384 50 0 HGAARO CC(C)C[NH+](CCCNC(=O)CN1N=C(c2ccccc2)CCC1=O)CC(C)C ZINC000004688114 558898759 /nfs/dbraw/zinc/89/87/59/558898759.db2.gz RGTKBZBFZSVKLZ-UHFFFAOYSA-N 1 0 400.567 3.133 50 0 HGAARO CC1CCN(C(=O)[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)c2ccccc2)CC1 ZINC000058225216 558913453 /nfs/dbraw/zinc/91/34/53/558913453.db2.gz SXBNXQFAVVYGIF-QFIPXVFZSA-N 1 0 412.578 3.160 50 0 HGAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)C1 ZINC000004710528 558916595 /nfs/dbraw/zinc/91/65/95/558916595.db2.gz SKSYPQLEPMCLNG-QGZVFWFLSA-N 1 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558980479 /nfs/dbraw/zinc/98/04/79/558980479.db2.gz SNSUDIFENDNCBQ-UHFFFAOYSA-N 1 0 401.421 3.099 50 0 HGAARO O[C@@H](COc1ccccc1Br)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022030842 558985228 /nfs/dbraw/zinc/98/52/28/558985228.db2.gz FNMGUWMXNDEYGN-GOSISDBHSA-N 1 0 405.336 3.007 50 0 HGAARO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000067602090 558987854 /nfs/dbraw/zinc/98/78/54/558987854.db2.gz LJRAOVOTJLNLSB-UHFFFAOYSA-N 1 0 421.950 3.273 50 0 HGAARO CCOc1c(C)cc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1C ZINC000023127697 559016064 /nfs/dbraw/zinc/01/60/64/559016064.db2.gz GEGVGMVQRIJNHS-UHFFFAOYSA-N 1 0 406.548 3.486 50 0 HGAARO CC[NH+](CC)CCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 ZINC000004734628 559034090 /nfs/dbraw/zinc/03/40/90/559034090.db2.gz CQJAQBYIDXSJSM-DEOSSOPVSA-N 1 0 418.541 3.182 50 0 HGAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082083326 559036563 /nfs/dbraw/zinc/03/65/63/559036563.db2.gz JZAUWTPJZKTXQH-QHCPKHFHSA-N 1 0 406.574 3.117 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C[NH+](C)CCCC1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000095452774 568615417 /nfs/dbraw/zinc/61/54/17/568615417.db2.gz ZPGIOYSKOTWKTF-UHFFFAOYSA-N 1 0 403.611 3.290 50 0 HGAARO CCn1ccnc1[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(I)cc1 ZINC000095452952 568615637 /nfs/dbraw/zinc/61/56/37/568615637.db2.gz MMYRFVCGRLJOSE-CZUORRHYSA-N 1 0 411.287 3.223 50 0 HGAARO COc1ccc(NC(=O)COc2coc(C[NH+]3CCCCCC3)cc2=O)c(OC)c1 ZINC000095479173 568632108 /nfs/dbraw/zinc/63/21/08/568632108.db2.gz GUXZRGPVWLRLFO-UHFFFAOYSA-N 1 0 416.474 3.051 50 0 HGAARO O=S(=O)(NC1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1)c1ccccc1 ZINC000225396248 568633624 /nfs/dbraw/zinc/63/36/24/568633624.db2.gz HBNXUQFUILQMSD-HSZRJFAPSA-N 1 0 424.566 3.186 50 0 HGAARO CCCCn1c(SCCCN2CC[NH+](C)CC2)nnc1-c1ccc(OC)cc1 ZINC000225566812 568651858 /nfs/dbraw/zinc/65/18/58/568651858.db2.gz QSVPKMYREBMNIG-UHFFFAOYSA-N 1 0 403.596 3.483 50 0 HGAARO CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)c2cc1Cl ZINC000095947238 568664792 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CC1(C)Cc2cccc(OCC(=O)NCC3CC[NH+]([C@@H]4CCSC4)CC3)c2O1 ZINC000225571300 568774492 /nfs/dbraw/zinc/77/44/92/568774492.db2.gz IKNDGAMZNWLFKI-GOSISDBHSA-N 1 0 404.576 3.113 50 0 HGAARO CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025536103 568774586 /nfs/dbraw/zinc/77/45/86/568774586.db2.gz DFSVNQGRLZNUQZ-IRLDBZIGSA-N 1 0 411.546 3.233 50 0 HGAARO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000057273614 568825684 /nfs/dbraw/zinc/82/56/84/568825684.db2.gz UIPWPTLDCAHDFO-GOSISDBHSA-N 1 0 406.530 3.136 50 0 HGAARO COc1ccc(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)n(C)n2)c(OC)c1 ZINC000230203449 568854910 /nfs/dbraw/zinc/85/49/10/568854910.db2.gz MQBBIEKHQOAWIV-UZLBHIALSA-N 1 0 412.534 3.099 50 0 biogenic HGAARO CCOC(=O)C1=C(C[N@H+](C)[C@@H]2CCCc3ccccc32)NC(=O)N[C@@H]1c1ccco1 ZINC000057704364 568858607 /nfs/dbraw/zinc/85/86/07/568858607.db2.gz JVIBEVQYMAWWOF-WIYYLYMNSA-N 1 0 409.486 3.460 50 0 HGAARO 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/nfs/dbraw/zinc/87/64/56/568876456.db2.gz QQTMAVHVTRKNJP-UHFFFAOYSA-N 1 0 407.905 3.393 50 0 HGAARO CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1C ZINC000012680815 568907904 /nfs/dbraw/zinc/90/79/04/568907904.db2.gz DAOJTVDBUWJKPO-IBGZPJMESA-N 1 0 413.518 3.384 50 0 HGAARO O=c1c2cc(NC(=S)NCC[NH+]3CCCCCC3)ccc2nc2n1CCCCC2 ZINC000003646037 568922215 /nfs/dbraw/zinc/92/22/15/568922215.db2.gz OUYRFCVSAIRWJT-UHFFFAOYSA-N 1 0 413.591 3.285 50 0 HGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1 ZINC000015502210 568940678 /nfs/dbraw/zinc/94/06/78/568940678.db2.gz LWEHHYJVKDNRAQ-OAQYLSRUSA-N 1 0 409.453 3.359 50 0 HGAARO O=C(Nc1ccccc1OC(F)F)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000084535857 568950444 /nfs/dbraw/zinc/95/04/44/568950444.db2.gz RFSJONJVHKYTDY-DLBZAZTESA-N 1 0 405.445 3.293 50 0 HGAARO CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000012774826 568953728 /nfs/dbraw/zinc/95/37/28/568953728.db2.gz BIUWKRHMLWCXJZ-QGZVFWFLSA-N 1 0 409.530 3.483 50 0 HGAARO CC1CC[NH+](CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000008318171 568990427 /nfs/dbraw/zinc/99/04/27/568990427.db2.gz VZIDAJZSNRBVIP-UHFFFAOYSA-N 1 0 405.848 3.488 50 0 HGAARO COc1cc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)c(Cl)cc1O ZINC000104319716 569008226 /nfs/dbraw/zinc/00/82/26/569008226.db2.gz WLYWMDTZOYBQRW-LJQANCHMSA-N 1 0 404.938 3.431 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454050 569037904 /nfs/dbraw/zinc/03/79/04/569037904.db2.gz JHXQAULVEPFVOL-SFHVURJKSA-N 1 0 410.562 3.401 50 0 HGAARO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](C)NC(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000040086996 569048071 /nfs/dbraw/zinc/04/80/71/569048071.db2.gz KHAYMRJBLBCRSE-QZMUEMGWSA-N 1 0 405.542 3.247 50 0 HGAARO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000007005178 569051769 /nfs/dbraw/zinc/05/17/69/569051769.db2.gz WJPLHJXPELWNIX-HNNXBMFYSA-N 1 0 407.536 3.059 50 0 HGAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NC(C)C)C2 ZINC000035911149 569065950 /nfs/dbraw/zinc/06/59/50/569065950.db2.gz MGAJNFHGUSLJQZ-JTHBVZDNSA-N 1 0 411.521 3.222 50 0 HGAARO CCc1ccc(CN2CCc3c(C(=O)NC[C@@H]4CCCC[N@@H+]4C)csc3C2)nc1 ZINC000426440211 569073010 /nfs/dbraw/zinc/07/30/10/569073010.db2.gz COSWIGQYBGTZST-IBGZPJMESA-N 1 0 412.603 3.478 50 0 HGAARO Cc1c(O)ccc2c(C)c(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)oc12 ZINC000006658913 569083634 /nfs/dbraw/zinc/08/36/34/569083634.db2.gz SFVAFVWAQCHVTK-UHFFFAOYSA-N 1 0 420.509 3.439 50 0 HGAARO CCC[NH+]1CCN(C(=O)CCNc2c(-c3ccccc3C)nc3cnccn32)CC1 ZINC000064758955 569090432 /nfs/dbraw/zinc/09/04/32/569090432.db2.gz BSFUDOVGDTWBRO-UHFFFAOYSA-N 1 0 406.534 3.061 50 0 HGAARO Cc1ccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COCc2ccccc2)c(C)c1 ZINC000036098852 569090823 /nfs/dbraw/zinc/09/08/23/569090823.db2.gz FFQCSGFPJKCLQQ-VWLOTQADSA-N 1 0 412.574 3.015 50 0 HGAARO CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C)C1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787528 569094209 /nfs/dbraw/zinc/09/42/09/569094209.db2.gz HTVQNNQLGZYRGY-PXNSSMCTSA-N 1 0 423.561 3.078 50 0 HGAARO COc1ccc(-c2coc3cc(OCC[NH+]4CCC(C(N)=O)CC4)ccc3c2=O)cc1 ZINC000006760142 569113430 /nfs/dbraw/zinc/11/34/30/569113430.db2.gz BJCZJYPLWHMXLO-UHFFFAOYSA-N 1 0 422.481 3.045 50 0 biogenic HGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000006782451 569120450 /nfs/dbraw/zinc/12/04/50/569120450.db2.gz KARZYOSASJAKIN-SFHVURJKSA-N 1 0 412.509 3.164 50 0 HGAARO Cc1nn([C@@H](C)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c(=O)c2c3ccccc3sc21 ZINC000006799190 569126234 /nfs/dbraw/zinc/12/62/34/569126234.db2.gz PAAARZPLPHHPHR-HOCLYGCPSA-N 1 0 412.559 3.471 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3nc(N4CCOCC4)sc3c2)C1 ZINC000006806349 569131002 /nfs/dbraw/zinc/13/10/02/569131002.db2.gz HDHVHNAVHDKTKZ-IRXDYDNUSA-N 1 0 416.591 3.231 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(OC)cc2)CC1 ZINC000036341154 569141760 /nfs/dbraw/zinc/14/17/60/569141760.db2.gz JWAOEDROZRAGKG-QHCPKHFHSA-N 1 0 424.520 3.150 50 0 HGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)C1 ZINC000006876468 569163394 /nfs/dbraw/zinc/16/33/94/569163394.db2.gz AWBUBLUQTCABSV-IRXDYDNUSA-N 1 0 403.498 3.482 50 0 HGAARO C[N@H+](CCCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1)C1CCCCC1 ZINC000007006080 569199256 /nfs/dbraw/zinc/19/92/56/569199256.db2.gz SUTWVYQPLODECI-UHFFFAOYSA-N 1 0 416.595 3.313 50 0 HGAARO Cc1ccc(-c2nnc(N3CCC(C(=O)NCC[N@H+]4CCCC[C@@H]4C)CC3)o2)cc1 ZINC000065229623 569200503 /nfs/dbraw/zinc/20/05/03/569200503.db2.gz RVTDJHZMJBGEOD-SFHVURJKSA-N 1 0 411.550 3.252 50 0 HGAARO COc1ccc(OC[C@@H](O)C[NH2+]CCOc2ccccc2OC)c(C(C)(C)C)c1 ZINC000007015393 569200888 /nfs/dbraw/zinc/20/08/88/569200888.db2.gz AVSREIAJBVOXTD-KRWDZBQOSA-N 1 0 403.519 3.410 50 0 HGAARO COc1ccccc1CNC(=O)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065255884 569208122 /nfs/dbraw/zinc/20/81/22/569208122.db2.gz SVBKEKIGUQTQQK-OAQYLSRUSA-N 1 0 402.498 3.171 50 0 HGAARO O=C(NCc1cc(F)cc(F)c1)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000065256401 569208393 /nfs/dbraw/zinc/20/83/93/569208393.db2.gz WWDZVCKTHRTTPK-OAQYLSRUSA-N 1 0 408.452 3.441 50 0 HGAARO O=C(NCc1cc(F)cc(F)c1)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065256383 569208397 /nfs/dbraw/zinc/20/83/97/569208397.db2.gz DGYRGFHKIWZELR-OAQYLSRUSA-N 1 0 408.452 3.441 50 0 HGAARO COc1c2c(cc3c1[C@@H](CC(=O)C1(c4ccccc4)CC[NH2+]CC1)N(C)CC3)OCO2 ZINC000524731500 569212287 /nfs/dbraw/zinc/21/22/87/569212287.db2.gz ACFKGJUPVHJCNO-LJQANCHMSA-N 1 0 422.525 3.234 50 0 biogenic HGAARO O=C(NCCC[NH+]1CCCC1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000065512324 569233197 /nfs/dbraw/zinc/23/31/97/569233197.db2.gz QFLFLFONEAJZCS-MRXNPFEDSA-N 1 0 409.372 3.061 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000010026415 569252867 /nfs/dbraw/zinc/25/28/67/569252867.db2.gz OMNRNQHZVNRRMD-NRFANRHFSA-N 1 0 403.548 3.171 50 0 HGAARO O=C(CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCc2ccccc21 ZINC000071824128 569254549 /nfs/dbraw/zinc/25/45/49/569254549.db2.gz CHPPJFSZHQUBJE-JOCHJYFZSA-N 1 0 405.542 3.384 50 0 HGAARO Cc1cccc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)c1C ZINC000013579091 569256334 /nfs/dbraw/zinc/25/63/34/569256334.db2.gz LNAYSNNCRYWYLD-LJQANCHMSA-N 1 0 406.515 3.429 50 0 HGAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000251618579 569260279 /nfs/dbraw/zinc/26/02/79/569260279.db2.gz HKPHTTBPOFZVSX-ZSTWQFLISA-N 1 0 413.606 3.316 50 0 HGAARO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)NCC1(c2ccccc2)CCC1 ZINC000089920318 569268793 /nfs/dbraw/zinc/26/87/93/569268793.db2.gz DRKLJUVPZCDKQZ-RBUKOAKNSA-N 1 0 415.578 3.460 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000007777216 569308599 /nfs/dbraw/zinc/30/85/99/569308599.db2.gz URPVHEJYQWAWGM-HXUWFJFHSA-N 1 0 415.559 3.034 50 0 HGAARO C[NH+](C)CCn1ncc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1-c1ccccc1 ZINC000253430828 569368888 /nfs/dbraw/zinc/36/88/88/569368888.db2.gz GABYWKLUUDKTCU-JOCHJYFZSA-N 1 0 420.513 3.031 50 0 HGAARO C[NH+](C)C1(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CCCCC1 ZINC000007942326 569402024 /nfs/dbraw/zinc/40/20/24/569402024.db2.gz KQVVLIODCMAVOW-UHFFFAOYSA-N 1 0 416.591 3.177 50 0 HGAARO CC[NH+](CC)CCN(Cc1ccccc1)c1ncnc2c1c(Br)nn2C ZINC000079076444 569426986 /nfs/dbraw/zinc/42/69/86/569426986.db2.gz JGMPCKAORQPAOG-UHFFFAOYSA-N 1 0 417.355 3.474 50 0 HGAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067287673 571065657 /nfs/dbraw/zinc/06/56/57/571065657.db2.gz BTDQWHMJDZIARB-HXUWFJFHSA-N 1 0 401.507 3.132 50 0 HGAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067287676 571065674 /nfs/dbraw/zinc/06/56/74/571065674.db2.gz BTDQWHMJDZIARB-FQEVSTJZSA-N 1 0 401.507 3.132 50 0 HGAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)CCCn2cnc3ccccc3c2=O)C1 ZINC000670473488 571101993 /nfs/dbraw/zinc/10/19/93/571101993.db2.gz BHDRXTPLOKKFIC-HXUWFJFHSA-N 1 0 418.541 3.091 50 0 HGAARO COc1ccc([C@@H](CNC(=O)c2ccc(-n3cncn3)cc2)[NH+]2CCCCC2)cc1 ZINC000008709511 571104371 /nfs/dbraw/zinc/10/43/71/571104371.db2.gz XNSRTJZSUUPQOW-JOCHJYFZSA-N 1 0 405.502 3.233 50 0 HGAARO CCN1C[C@@H](CN(C)CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)Oc2ccccc21 ZINC000008747125 571111408 /nfs/dbraw/zinc/11/14/08/571111408.db2.gz ZPZHZBNRNHVNCA-JOCHJYFZSA-N 1 0 422.573 3.440 50 0 HGAARO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000039996846 571137343 /nfs/dbraw/zinc/13/73/43/571137343.db2.gz XJVQGHZDISHWOH-QFIPXVFZSA-N 1 0 411.546 3.102 50 0 HGAARO O=C(Cc1ccccc1)N1CCC[C@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000040073661 571153909 /nfs/dbraw/zinc/15/39/09/571153909.db2.gz VZYAGPDZRUHWAF-LEWJYISDSA-N 1 0 409.530 3.014 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccs1 ZINC000040120002 571176183 /nfs/dbraw/zinc/17/61/83/571176183.db2.gz NHVYILMJRIJWMW-PKOBYXMFSA-N 1 0 417.550 3.087 50 0 HGAARO C[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C[NH+]1CCCCC1 ZINC000040157529 571204121 /nfs/dbraw/zinc/20/41/21/571204121.db2.gz HSHRCNJVLDUIPL-SFHVURJKSA-N 1 0 415.559 3.339 50 0 HGAARO Cc1cc(CN2CCC([NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)on1 ZINC000245180737 571215442 /nfs/dbraw/zinc/21/54/42/571215442.db2.gz ZIRRPJOMGOQULW-UHFFFAOYSA-N 1 0 409.456 3.183 50 0 HGAARO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245237529 571219202 /nfs/dbraw/zinc/21/92/02/571219202.db2.gz MGJMOSOSEXRDQM-SJORKVTESA-N 1 0 404.580 3.496 50 0 HGAARO COc1cccc([C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)[NH+]2CCCC2)c1 ZINC000009337236 571249402 /nfs/dbraw/zinc/24/94/02/571249402.db2.gz IAEWETLJMTWDAK-JOCHJYFZSA-N 1 0 407.514 3.389 50 0 HGAARO COc1cn(CC(=O)NCc2ccccc2Cl)c(C[NH+]2CCCCCC2)cc1=O ZINC000009622146 571274303 /nfs/dbraw/zinc/27/43/03/571274303.db2.gz GNJLHVPRHBKQPI-UHFFFAOYSA-N 1 0 417.937 3.203 50 0 HGAARO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Br ZINC000070922271 571281965 /nfs/dbraw/zinc/28/19/65/571281965.db2.gz BSWWMLIPSQADLJ-UHFFFAOYSA-N 1 0 410.337 3.039 50 0 HGAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)C1 ZINC000009738117 571283178 /nfs/dbraw/zinc/28/31/78/571283178.db2.gz JYVRHMCWNCYLNC-MRXNPFEDSA-N 1 0 403.548 3.082 50 0 HGAARO Cc1ccccc1OCC(=O)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000077200562 571313025 /nfs/dbraw/zinc/31/30/25/571313025.db2.gz ROCXOVLXASXRDZ-UHFFFAOYSA-N 1 0 417.513 3.125 50 0 HGAARO O=C(c1c(F)cccc1Cl)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697940 132349968 /nfs/dbraw/zinc/34/99/68/132349968.db2.gz DOYNFMQNGDOEKO-UHFFFAOYSA-N 1 0 412.856 3.370 50 0 HGAARO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1)N1CCN(c2ccccn2)CC1 ZINC000012111668 132354142 /nfs/dbraw/zinc/35/41/42/132354142.db2.gz OGQHAUQVJOVCJG-HXUWFJFHSA-N 1 0 408.546 3.128 50 0 HGAARO O=S(=O)(Nc1ccc(N2CCC([NH2+]C3CCOCC3)CC2)cc1)c1ccccc1 ZINC000012150140 132355198 /nfs/dbraw/zinc/35/51/98/132355198.db2.gz BGVWBZPLWWRHKH-UHFFFAOYSA-N 1 0 415.559 3.225 50 0 HGAARO C[NH+]1CCN(c2ccccc2NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000012557655 132363828 /nfs/dbraw/zinc/36/38/28/132363828.db2.gz BWGVMLZYQYVJBF-UHFFFAOYSA-N 1 0 422.573 3.495 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)NCCOc1ccc(OC)cc1)c1cccc(OC)c1 ZINC000032802480 520863978 /nfs/dbraw/zinc/86/39/78/520863978.db2.gz INAAGOHLXQKPIN-JOCHJYFZSA-N 1 0 415.534 3.465 50 0 HGAARO COc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1ccccc1F ZINC000020028300 522450742 /nfs/dbraw/zinc/45/07/42/522450742.db2.gz MZGMRPPQNLSDMK-UHFFFAOYSA-N 1 0 408.901 3.489 50 0 HGAARO C[C@@H]1C[NH+](CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)C[C@@H](C)O1 ZINC000032755414 524944325 /nfs/dbraw/zinc/94/43/25/524944325.db2.gz FOZSRWAARUVPNY-IAGOWNOFSA-N 1 0 405.539 3.192 50 0 HGAARO Cc1cccn2c(C[N@@H+]3CC[C@@H](c4ccc(F)cc4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000020539495 525464471 /nfs/dbraw/zinc/46/44/71/525464471.db2.gz OXOKFEBQEJEQEY-LJQANCHMSA-N 1 0 422.504 3.244 50 0 HGAARO Cc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000032916441 525581645 /nfs/dbraw/zinc/58/16/45/525581645.db2.gz AEZVDLMPPGONLY-FQEVSTJZSA-N 1 0 401.576 3.183 50 0 HGAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncn3nc(-c4ccc(F)cc4)nc3c12 ZINC000020590990 525683829 /nfs/dbraw/zinc/68/38/29/525683829.db2.gz PTTHKKPQIDYPIE-UHFFFAOYSA-N 1 0 408.481 3.224 50 0 HGAARO Cc1csc(=O)n1CCC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048353695 526307958 /nfs/dbraw/zinc/30/79/58/526307958.db2.gz LGIIMXNWEOVPLT-IAGOWNOFSA-N 1 0 401.576 3.403 50 0 HGAARO O=C(CCNC(=O)c1ccsc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032781197 526509060 /nfs/dbraw/zinc/50/90/60/526509060.db2.gz HVLGYXYAWYCPTO-UHFFFAOYSA-N 1 0 405.951 3.302 50 0 HGAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000032779890 526578977 /nfs/dbraw/zinc/57/89/77/526578977.db2.gz BUKYQWMKLBWKAX-LJQANCHMSA-N 1 0 413.953 3.300 50 0 HGAARO O=C(NCc1ccccc1Cl)C(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043941009 526745217 /nfs/dbraw/zinc/74/52/17/526745217.db2.gz YWELOIYYXIISAM-UHFFFAOYSA-N 1 0 405.951 3.046 50 0 HGAARO Cn1cc(C[NH2+]C[C@@H]2Cc3ccccc3CN2C)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020600662 527218119 /nfs/dbraw/zinc/21/81/19/527218119.db2.gz AQICFHGZLXIGPW-NRFANRHFSA-N 1 0 404.514 3.005 50 0 HGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000006782561 535599956 /nfs/dbraw/zinc/59/99/56/535599956.db2.gz XIROBNIRYHIUSE-IBGZPJMESA-N 1 0 405.546 3.304 50 0 HGAARO COc1ccc(Br)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000002841911 536632557 /nfs/dbraw/zinc/63/25/57/536632557.db2.gz FUHLEFSERFUGMO-UHFFFAOYSA-N 1 0 404.308 3.462 50 0 HGAARO CCNC(=O)c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684540 557387655 /nfs/dbraw/zinc/38/76/55/557387655.db2.gz FUPRMWISBMQJAS-UHFFFAOYSA-N 1 0 404.514 3.332 50 0 HGAARO Cc1cc([C@@H]2C[C@@H](C(=O)NCC[NH+](C)C)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715482 557429063 /nfs/dbraw/zinc/42/90/63/557429063.db2.gz AJUCGIIGBBADAM-NHCUHLMSSA-N 1 0 411.521 3.058 50 0 HGAARO COc1cc(NC(=O)CC[N@H+](C)CCc2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000004777360 557597126 /nfs/dbraw/zinc/59/71/26/557597126.db2.gz MEPNMLPHXXQASV-UHFFFAOYSA-N 1 0 402.491 3.224 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNc1nc2ccc(C(=O)c3ccccc3)cc2n2cnnc12 ZINC000006901587 557729426 /nfs/dbraw/zinc/72/94/26/557729426.db2.gz RAIQMLXIGJSBSR-GOSISDBHSA-N 1 0 400.486 3.405 50 0 HGAARO CC[NH+](CC)CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)o1 ZINC000010312926 557859133 /nfs/dbraw/zinc/85/91/33/557859133.db2.gz NVSQWTQDJKFYSG-UHFFFAOYSA-N 1 0 408.296 3.366 50 0 HGAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000022912939 558258460 /nfs/dbraw/zinc/25/84/60/558258460.db2.gz BUTOPUCPVGTAQO-JOCHJYFZSA-N 1 0 407.558 3.417 50 0 HGAARO CCOc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)cc1 ZINC000019744609 558265143 /nfs/dbraw/zinc/26/51/43/558265143.db2.gz ZNHDCOVQXPGFBY-INIZCTEOSA-N 1 0 423.517 3.128 50 0 HGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)cc1OC ZINC000011662282 558266178 /nfs/dbraw/zinc/26/61/78/558266178.db2.gz WJYQKAGEEKHMHC-FKVRIVCVSA-N 1 0 409.530 3.278 50 0 HGAARO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](CCCn3cccn3)CC2)cc1 ZINC000011667562 558269521 /nfs/dbraw/zinc/26/95/21/558269521.db2.gz IWPPACHSZIDJGZ-UHFFFAOYSA-N 1 0 419.529 3.142 50 0 HGAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@@H](C)CSC)CC2)c(Cl)c1 ZINC000011700637 558270598 /nfs/dbraw/zinc/27/05/98/558270598.db2.gz LVDUXXAULPIEOP-AWEZNQCLSA-N 1 0 400.972 3.311 50 0 HGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCCC1=O ZINC000011764961 558273840 /nfs/dbraw/zinc/27/38/40/558273840.db2.gz ZWDZVCYKAZTVNC-IBGZPJMESA-N 1 0 405.970 3.065 50 0 HGAARO COc1cc(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)cc(Cl)c1OC ZINC000011815976 558279455 /nfs/dbraw/zinc/27/94/55/558279455.db2.gz IHKUSPOMYFJORZ-UHFFFAOYSA-N 1 0 410.942 3.208 50 0 HGAARO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C2CCN(C(C)=O)CC2)C1 ZINC000011817523 558280996 /nfs/dbraw/zinc/28/09/96/558280996.db2.gz LOGBHXDZHUPWOZ-QFIPXVFZSA-N 1 0 408.489 3.164 50 0 HGAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000011820123 558283403 /nfs/dbraw/zinc/28/34/03/558283403.db2.gz RDKCCYUWUVEIKL-QFIPXVFZSA-N 1 0 401.507 3.267 50 0 HGAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccc(C)n4)C3)C2=O)c1OC ZINC000011822105 558285417 /nfs/dbraw/zinc/28/54/17/558285417.db2.gz KVGTYLXUCQBRJA-DEOSSOPVSA-N 1 0 409.530 3.422 50 0 HGAARO CCN(CC[NH+](C)C)C(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000011868199 558289937 /nfs/dbraw/zinc/28/99/37/558289937.db2.gz TZXLTZQKJPFBQC-UHFFFAOYSA-N 1 0 422.508 3.370 50 0 HGAARO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000011878645 558293034 /nfs/dbraw/zinc/29/30/34/558293034.db2.gz ZYMIMCMUMXGBNB-HXUWFJFHSA-N 1 0 402.560 3.331 50 0 HGAARO OCC[C@@H]1C[N@@H+](C2CCN(c3ccccc3F)CC2)CCN1Cc1cccs1 ZINC000019840775 558294055 /nfs/dbraw/zinc/29/40/55/558294055.db2.gz OWXCSGTYRWWHSB-LJQANCHMSA-N 1 0 403.567 3.425 50 0 HGAARO COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C(=O)CCc3cccnc3)C2)cc1 ZINC000011912681 558297183 /nfs/dbraw/zinc/29/71/83/558297183.db2.gz LHXMRIHPXOOKMM-PKTZIBPZSA-N 1 0 421.541 3.314 50 0 HGAARO Cc1cccc(C)c1N1CC[NH+](C[C@@H](O)COc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000019909121 558306097 /nfs/dbraw/zinc/30/60/97/558306097.db2.gz QZLXXJDXPNXCGP-HXUWFJFHSA-N 1 0 422.525 3.280 50 0 HGAARO C[C@H](CC[N@H+]1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1 ZINC000011999318 558307890 /nfs/dbraw/zinc/30/78/90/558307890.db2.gz SZJGTLXWRPVEON-LJQANCHMSA-N 1 0 403.530 3.260 50 0 HGAARO Cc1ccc(SC2CCN(C(=O)c3cn(CC[NH+]4CCCCC4)nn3)CC2)cc1 ZINC000012028882 558310671 /nfs/dbraw/zinc/31/06/71/558310671.db2.gz WTLAVYXEGZHCSS-UHFFFAOYSA-N 1 0 413.591 3.469 50 0 HGAARO O=C1NCCN1CC[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012029658 558310928 /nfs/dbraw/zinc/31/09/28/558310928.db2.gz LFTZJXNJNZGALC-UHFFFAOYSA-N 1 0 413.884 3.447 50 0 HGAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(OCc3cccs3)cc2)cc1 ZINC000019938211 558312782 /nfs/dbraw/zinc/31/27/82/558312782.db2.gz IXJOJSGGDGVPAE-UHFFFAOYSA-N 1 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ZINC000012073423 558318404 /nfs/dbraw/zinc/31/84/04/558318404.db2.gz ALSHSCVYKGRULL-UHFFFAOYSA-N 1 0 412.530 3.423 50 0 HGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CCO ZINC000020202790 558346064 /nfs/dbraw/zinc/34/60/64/558346064.db2.gz FIYKRICMJPUFLY-QFIPXVFZSA-N 1 0 408.521 3.389 50 0 HGAARO O=C(/C=C/c1cccc(Cl)c1)N1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000012195625 558349341 /nfs/dbraw/zinc/34/93/41/558349341.db2.gz JIJAKBAXHFHQTF-QPJJXVBHSA-N 1 0 415.965 3.335 50 0 HGAARO O=C(NCCCc1ccccc1)[C@H]1CC12CC[NH+](Cc1ccc(OCCO)cc1)CC2 ZINC000012245116 558361397 /nfs/dbraw/zinc/36/13/97/558361397.db2.gz TYHYOUBMHTUKLK-XMMPIXPASA-N 1 0 422.569 3.409 50 0 HGAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000020452630 558366885 /nfs/dbraw/zinc/36/68/85/558366885.db2.gz XFULBQISULUWKO-HXUWFJFHSA-N 1 0 403.571 3.196 50 0 HGAARO Cn1ccnc1CN(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012298492 558368536 /nfs/dbraw/zinc/36/85/36/558368536.db2.gz LPAALVAXGJTZQG-OAQYLSRUSA-N 1 0 400.542 3.452 50 0 HGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000012303768 558373068 /nfs/dbraw/zinc/37/30/68/558373068.db2.gz XEBAUWKXPFSFPF-SFHVURJKSA-N 1 0 402.535 3.271 50 0 HGAARO Cc1n[nH]c(C)c1C[NH2+]Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000012305259 558374462 /nfs/dbraw/zinc/37/44/62/558374462.db2.gz PKTYDINIACOELA-UHFFFAOYSA-N 1 0 402.502 3.236 50 0 HGAARO CN(CCc1cn[nH]c1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012307994 558376460 /nfs/dbraw/zinc/37/64/60/558376460.db2.gz AKACNBGOUIXFTM-UHFFFAOYSA-N 1 0 419.529 3.163 50 0 HGAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)CCCN1CCCCC1=O ZINC000012314793 558378285 /nfs/dbraw/zinc/37/82/85/558378285.db2.gz NNMQIZLOZWWZEC-UHFFFAOYSA-N 1 0 417.569 3.331 50 0 HGAARO O=C(NCCn1ccnc1)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012317098 558380503 /nfs/dbraw/zinc/38/05/03/558380503.db2.gz RLMJOCGCAPVTCE-UHFFFAOYSA-N 1 0 418.541 3.399 50 0 HGAARO Cc1cccc(C)c1OCCOC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020500414 558380693 /nfs/dbraw/zinc/38/06/93/558380693.db2.gz XMTKIQRGFKPZID-QFIPXVFZSA-N 1 0 402.510 3.021 50 0 HGAARO COc1ccc2c(C)c(CCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)oc2c1 ZINC000012390563 558396892 /nfs/dbraw/zinc/39/68/92/558396892.db2.gz PWADKAYJUWFFLB-UHFFFAOYSA-N 1 0 400.519 3.468 50 0 HGAARO CN(CCC[NH+]1CCCCCC1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012429312 558404168 /nfs/dbraw/zinc/40/41/68/558404168.db2.gz YMLOLFHEOUYHMS-FQEVSTJZSA-N 1 0 403.542 3.289 50 0 HGAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]CCn1cccn1)N1CCCCCCC1 ZINC000012429895 558404730 /nfs/dbraw/zinc/40/47/30/558404730.db2.gz WEQRBEDFYMDPHX-UHFFFAOYSA-N 1 0 414.941 3.380 50 0 HGAARO O=C(NCCc1ccccn1)c1cccc(OC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000012432212 558406512 /nfs/dbraw/zinc/40/65/12/558406512.db2.gz TVPAISCNXXTVQW-UHFFFAOYSA-N 1 0 416.525 3.493 50 0 HGAARO O=C(C1CC[NH+](C2CCN(Cc3cccn3-c3ccccn3)CC2)CC1)N1CCCC1 ZINC000012434977 558408804 /nfs/dbraw/zinc/40/88/04/558408804.db2.gz GTAGXMBGHMERAT-UHFFFAOYSA-N 1 0 421.589 3.171 50 0 HGAARO Cn1cc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012437687 558409578 /nfs/dbraw/zinc/40/95/78/558409578.db2.gz LOJLLHLTTUIBSQ-UHFFFAOYSA-N 1 0 418.497 3.275 50 0 HGAARO CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC000012457431 558417854 /nfs/dbraw/zinc/41/78/54/558417854.db2.gz NBIKARCMZATYPX-UHFFFAOYSA-N 1 0 409.933 3.320 50 0 HGAARO OCC[C@H]1CN(Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1CCCc1ccccc1 ZINC000020906103 558421077 /nfs/dbraw/zinc/42/10/77/558421077.db2.gz RAGWCKBORKWYSY-VWLOTQADSA-N 1 0 404.558 3.374 50 0 HGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC2CCN(C(C)=O)CC2)C1 ZINC000012574582 558430406 /nfs/dbraw/zinc/43/04/06/558430406.db2.gz XWKXXWWAISRYND-GOSISDBHSA-N 1 0 421.969 3.286 50 0 HGAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]CCN2CCNC2=O)cc1F ZINC000012587146 558434431 /nfs/dbraw/zinc/43/44/31/558434431.db2.gz ZCXFBUXAOFFVSY-UHFFFAOYSA-N 1 0 423.492 3.110 50 0 HGAARO O=C(c1cn[nH]c1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012588717 558435083 /nfs/dbraw/zinc/43/50/83/558435083.db2.gz YMGYAFMTHASCBS-HXUWFJFHSA-N 1 0 400.498 3.082 50 0 HGAARO COC(=O)CN(C)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012701980 558447994 /nfs/dbraw/zinc/44/79/94/558447994.db2.gz ZXWMVEOUQGMNPP-UHFFFAOYSA-N 1 0 410.514 3.018 50 0 HGAARO COc1ccccc1NC(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1 ZINC000021795191 558449406 /nfs/dbraw/zinc/44/94/06/558449406.db2.gz DCFPVBYPGKFINL-UHFFFAOYSA-N 1 0 410.522 3.138 50 0 HGAARO Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1-c1ccccc1Cl ZINC000012792561 558466499 /nfs/dbraw/zinc/46/64/99/558466499.db2.gz FELATJOWLIWOQJ-LJQANCHMSA-N 1 0 410.905 3.227 50 0 HGAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(OC)c2c(c1)OCCO2)c1cccc(OC)c1 ZINC000022700631 558505487 /nfs/dbraw/zinc/50/54/87/558505487.db2.gz RSFMXDQTAYZRKL-LJQANCHMSA-N 1 0 414.502 3.288 50 0 HGAARO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](C(C)C)[NH+](C)C ZINC000022754483 558508070 /nfs/dbraw/zinc/50/80/70/558508070.db2.gz VGXMPTSHGXICLL-IAGOWNOFSA-N 1 0 402.366 3.450 50 0 HGAARO Cc1cccc(C2N=NC(=S)N2CC(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000023055257 558532291 /nfs/dbraw/zinc/53/22/91/558532291.db2.gz AKCUGEAUXCKEQX-UHFFFAOYSA-N 1 0 401.580 3.313 50 0 HGAARO Cc1cccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)c1 ZINC000023128882 558536509 /nfs/dbraw/zinc/53/65/09/558536509.db2.gz PESHXVDSJBYMAC-IBGZPJMESA-N 1 0 403.530 3.444 50 0 HGAARO Cc1cc(C)c(C[N@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1C ZINC000023128974 558536658 /nfs/dbraw/zinc/53/66/58/558536658.db2.gz LEPSZIRBVAVQJQ-UHFFFAOYSA-N 1 0 417.557 3.121 50 0 HGAARO COc1cc(OC)c2c(C)c(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)oc2c1 ZINC000013729478 558585860 /nfs/dbraw/zinc/58/58/60/558585860.db2.gz CFFRQQYKKKMKSD-UHFFFAOYSA-N 1 0 416.518 3.087 50 0 HGAARO COc1ccc([C@H](CNC(=O)c2cccc(CN3CCCC3=O)c2)[NH+]2CCCC2)cc1 ZINC000014138967 558624537 /nfs/dbraw/zinc/62/45/37/558624537.db2.gz FYIMCJWQARAJPF-QHCPKHFHSA-N 1 0 421.541 3.385 50 0 HGAARO COc1cccc(OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000025196658 558634322 /nfs/dbraw/zinc/63/43/22/558634322.db2.gz QWZLNSVSMLGPBA-GOSISDBHSA-N 1 0 410.436 3.276 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nnc(C4CCCC4)[nH]3)cc2)CC1 ZINC000025244547 558635711 /nfs/dbraw/zinc/63/57/11/558635711.db2.gz LYCULWUXCVIASQ-UHFFFAOYSA-N 1 0 414.579 3.335 50 0 HGAARO Cc1ccc(CN2CCc3c(cc(C(=O)N4CC[NH+](CC(C)C)CC4)n3C)C2)cc1 ZINC000065210933 558655312 /nfs/dbraw/zinc/65/53/12/558655312.db2.gz JLXAZIXZJFDUCU-UHFFFAOYSA-N 1 0 408.590 3.306 50 0 HGAARO CC(C)OCCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014733810 558666350 /nfs/dbraw/zinc/66/63/50/558666350.db2.gz LPJWYZFWTXNOKC-LJQANCHMSA-N 1 0 404.599 3.427 50 0 HGAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014741747 558667146 /nfs/dbraw/zinc/66/71/46/558667146.db2.gz UKGHQQGQAMXRIO-FQEVSTJZSA-N 1 0 406.574 3.389 50 0 HGAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+]([C@H](C)CSC)CC2 ZINC000014753333 558671402 /nfs/dbraw/zinc/67/14/02/558671402.db2.gz DZIXTBQOSKUTDQ-MRXNPFEDSA-N 1 0 405.564 3.065 50 0 HGAARO COc1cc(Cl)c(C)cc1NC(=O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000027574978 558675513 /nfs/dbraw/zinc/67/55/13/558675513.db2.gz SUSLPWLWJYVIKH-UHFFFAOYSA-N 1 0 401.938 3.456 50 0 HGAARO C[C@@H](Oc1ccccc1)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000014883618 558676962 /nfs/dbraw/zinc/67/69/62/558676962.db2.gz PYJZJMHPBPNGNU-KNQAVFIVSA-N 1 0 409.530 3.179 50 0 HGAARO Cc1ccc(CC[NH2+]C2CCN(c3ccc(C(=O)N4CCC[C@@H](O)C4)cc3)CC2)cc1 ZINC000014885226 558677424 /nfs/dbraw/zinc/67/74/24/558677424.db2.gz IAOGWPMPQPCBKG-RUZDIDTESA-N 1 0 421.585 3.393 50 0 HGAARO COc1cccc(OC)c1C[NH+]1CCC2(C[C@@H]2C(=O)N(C)Cc2cscn2)CC1 ZINC000014888834 558678025 /nfs/dbraw/zinc/67/80/25/558678025.db2.gz DQUPPOARAAHQEX-GOSISDBHSA-N 1 0 415.559 3.421 50 0 HGAARO C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027934213 558684947 /nfs/dbraw/zinc/68/49/47/558684947.db2.gz BWZQWTBEVRONAW-LJQANCHMSA-N 1 0 403.526 3.325 50 0 HGAARO C[NH+](C)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C2CC2)C1 ZINC000014968169 558686412 /nfs/dbraw/zinc/68/64/12/558686412.db2.gz ZETSBZQELHMWFU-INIZCTEOSA-N 1 0 420.492 3.122 50 0 HGAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000014974966 558688835 /nfs/dbraw/zinc/68/88/35/558688835.db2.gz CHBJQIGQSWUVRP-QGZVFWFLSA-N 1 0 408.477 3.384 50 0 HGAARO COc1ccc(OC)c(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)c1 ZINC000014979312 558690619 /nfs/dbraw/zinc/69/06/19/558690619.db2.gz DZTZPGKXRFYAHJ-HXUWFJFHSA-N 1 0 423.557 3.439 50 0 HGAARO Cc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)nc(C)n1 ZINC000014981119 558691655 /nfs/dbraw/zinc/69/16/55/558691655.db2.gz RMHDIMNIYMKVRN-NRFANRHFSA-N 1 0 400.567 3.369 50 0 HGAARO COc1ccccc1[C@H](CNC(=O)c1ccc(N2CCNC2=O)c(C)c1)[NH+]1CCCC1 ZINC000072272993 558692900 /nfs/dbraw/zinc/69/29/00/558692900.db2.gz VSWKFGJRDXABBB-NRFANRHFSA-N 1 0 422.529 3.100 50 0 HGAARO C[N@H+](CCn1cccn1)Cc1cc2ccc(Cl)cc2n(Cc2ccccn2)c1=O ZINC000014993433 558695273 /nfs/dbraw/zinc/69/52/73/558695273.db2.gz OTARVPQMPZHJOU-UHFFFAOYSA-N 1 0 407.905 3.427 50 0 HGAARO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000014993598 558695292 /nfs/dbraw/zinc/69/52/92/558695292.db2.gz XRWGNKRKECJCRD-SFHVURJKSA-N 1 0 421.520 3.286 50 0 HGAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C)C1 ZINC000015001083 558697938 /nfs/dbraw/zinc/69/79/38/558697938.db2.gz QAJXHYYCMZHOSQ-INIZCTEOSA-N 1 0 410.547 3.256 50 0 HGAARO CSc1ccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)cc1 ZINC000015066427 558709382 /nfs/dbraw/zinc/70/93/82/558709382.db2.gz BVIHIYJSWDCFOR-DHIUTWEWSA-N 1 0 415.578 3.305 50 0 HGAARO COc1cccc([C@@H](CNC(=O)c2cc3c(C)nn(C)c3nc2C)[NH+]2CCCC2)c1 ZINC000029749660 558719891 /nfs/dbraw/zinc/71/98/91/558719891.db2.gz FHBSDXIQHLMYNU-OAQYLSRUSA-N 1 0 407.518 3.161 50 0 HGAARO Cc1ccc(C)c(N2N=C(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)CCC2=O)c1 ZINC000029836349 558722066 /nfs/dbraw/zinc/72/20/66/558722066.db2.gz GILUQNBVMIYLIE-OAQYLSRUSA-N 1 0 410.493 3.344 50 0 HGAARO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000030898959 558744294 /nfs/dbraw/zinc/74/42/94/558744294.db2.gz RJVQZSQWUSHMFZ-UHFFFAOYSA-N 1 0 412.983 3.419 50 0 HGAARO Cc1cccc(C[NH+]2CCC(NC(=O)c3ccnc(N4CCO[C@H](C)C4)c3)CC2)c1 ZINC000072305405 558759729 /nfs/dbraw/zinc/75/97/29/558759729.db2.gz BAQYFNPUWXTZMJ-LJQANCHMSA-N 1 0 408.546 3.010 50 0 HGAARO O=C(NCc1ccc2c(c1)OCO2)[C@H](c1ccccc1)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000072305647 558761016 /nfs/dbraw/zinc/76/10/16/558761016.db2.gz JGHZNRZWHFLMHP-QFIPXVFZSA-N 1 0 418.497 3.376 50 0 HGAARO Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]Cc4ccccc4)cc3)cc2n(C)c1=O ZINC000016363944 558788413 /nfs/dbraw/zinc/78/84/13/558788413.db2.gz KIGAGINDZIJYTA-XMMPIXPASA-N 1 0 417.509 3.279 50 0 HGAARO CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4ccc(C)c(C)c4)n3)c(C)n2)CC1 ZINC000036235733 558798416 /nfs/dbraw/zinc/79/84/16/558798416.db2.gz QSMSMHMEAOCGJK-UHFFFAOYSA-N 1 0 419.533 3.038 50 0 HGAARO Cc1cc2nc(C)c(=O)n(CCC(=O)NCCC[N@@H+](C)C3CCCCC3)c2cc1C ZINC000033005703 558827452 /nfs/dbraw/zinc/82/74/52/558827452.db2.gz QQUWAUKTRSXIJT-UHFFFAOYSA-N 1 0 412.578 3.483 50 0 HGAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cc1 ZINC000018254274 558834893 /nfs/dbraw/zinc/83/48/93/558834893.db2.gz UCDZGGRIXDWJHC-UHFFFAOYSA-N 1 0 424.526 3.013 50 0 HGAARO CCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCCCC3)c2)s1 ZINC000033022450 558837523 /nfs/dbraw/zinc/83/75/23/558837523.db2.gz KZABOIAMNQEVIB-UHFFFAOYSA-N 1 0 415.563 3.349 50 0 HGAARO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCC[NH+]3CCCCCC3)CC2)c(C)c1C ZINC000033024419 558841809 /nfs/dbraw/zinc/84/18/09/558841809.db2.gz JGVCTSKPGNYLKP-UHFFFAOYSA-N 1 0 402.583 3.174 50 0 HGAARO COc1ccc(-n2cc(C[NH2+]CCN3CCC(O)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000019222284 558852158 /nfs/dbraw/zinc/85/21/58/558852158.db2.gz IHLJHLXRMCNZBE-UHFFFAOYSA-N 1 0 424.520 3.233 50 0 HGAARO O=C1N[C@@](CCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1C1Cc2ccccc2C1 ZINC000067982341 558862573 /nfs/dbraw/zinc/86/25/73/558862573.db2.gz SZUQTRCPEJNGLI-VWLOTQADSA-N 1 0 403.526 3.077 50 0 HGAARO O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000053537325 558864690 /nfs/dbraw/zinc/86/46/90/558864690.db2.gz BZRJSCFKGVKLKS-FQEVSTJZSA-N 1 0 407.493 3.129 50 0 HGAARO Cn1c2ccccc2nc(C(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1=O ZINC000033085895 558870553 /nfs/dbraw/zinc/87/05/53/558870553.db2.gz FGLMNXJRUFRQGA-UHFFFAOYSA-N 1 0 424.932 3.229 50 0 HGAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)CC1 ZINC000055099951 558872339 /nfs/dbraw/zinc/87/23/39/558872339.db2.gz RLRNLADUMOLTGS-JOCHJYFZSA-N 1 0 423.605 3.354 50 0 HGAARO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cccc(OC)c2OCCN2CCOCC2)c1C ZINC000055243605 558877073 /nfs/dbraw/zinc/87/70/73/558877073.db2.gz VAMXXMKLSFXQMS-QGZVFWFLSA-N 1 0 416.566 3.090 50 0 HGAARO Cc1nc(C)c(CC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)s1 ZINC000055341368 558879404 /nfs/dbraw/zinc/87/94/04/558879404.db2.gz OOHQFZVTVMXCCK-FQEVSTJZSA-N 1 0 412.603 3.424 50 0 HGAARO O=C(CCCNC(=O)NC1CCCCC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058131113 558900526 /nfs/dbraw/zinc/90/05/26/558900526.db2.gz QVONLLHHKGKQGA-OAQYLSRUSA-N 1 0 414.594 3.427 50 0 HGAARO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2cccc(Br)c2)CC1 ZINC000058152780 558902682 /nfs/dbraw/zinc/90/26/82/558902682.db2.gz ZPRCTEDAVIUWFF-UHFFFAOYSA-N 1 0 416.319 3.479 50 0 HGAARO O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058268691 558916010 /nfs/dbraw/zinc/91/60/10/558916010.db2.gz RNIBFJNPVVQZCL-SFHVURJKSA-N 1 0 405.564 3.495 50 0 HGAARO C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)C1 ZINC000058268287 558916035 /nfs/dbraw/zinc/91/60/35/558916035.db2.gz ZWUITWIVFYVLLD-JOCHJYFZSA-N 1 0 420.557 3.369 50 0 HGAARO CC1CC[NH+](CCCNC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1 ZINC000004710553 558916559 /nfs/dbraw/zinc/91/65/59/558916559.db2.gz SYQNVUDXIMCXTM-UHFFFAOYSA-N 1 0 416.953 3.192 50 0 HGAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000058441016 558927629 /nfs/dbraw/zinc/92/76/29/558927629.db2.gz LZNPGQMLAIHTNU-GOSISDBHSA-N 1 0 403.486 3.026 50 0 HGAARO Cc1ccc(NC(=O)c2nnc(CCC(=O)NCC[N@H+]3CCCC[C@@H]3C)s2)cc1 ZINC000033062072 558955892 /nfs/dbraw/zinc/95/58/92/558955892.db2.gz IXMWZKSQIYXKSN-INIZCTEOSA-N 1 0 415.563 3.022 50 0 HGAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)CC1 ZINC000065364446 558975507 /nfs/dbraw/zinc/97/55/07/558975507.db2.gz XXPWWYIEMGWGIE-UHFFFAOYSA-N 1 0 409.530 3.244 50 0 HGAARO CCNc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)nc(C)[nH+]1 ZINC000065364918 558975971 /nfs/dbraw/zinc/97/59/71/558975971.db2.gz DPIGTEDTTCVFID-UHFFFAOYSA-N 1 0 404.902 3.233 50 0 HGAARO O=C(NCc1ccc(Cl)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000022999662 558984655 /nfs/dbraw/zinc/98/46/55/558984655.db2.gz AUDRXNTYAIXHKO-UHFFFAOYSA-N 1 0 405.951 3.046 50 0 HGAARO O[C@H](COc1ccccc1Br)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022030839 558985170 /nfs/dbraw/zinc/98/51/70/558985170.db2.gz FNMGUWMXNDEYGN-SFHVURJKSA-N 1 0 405.336 3.007 50 0 HGAARO CCOc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000067613606 558989388 /nfs/dbraw/zinc/98/93/88/558989388.db2.gz LZMJFDMOPKHGCL-UHFFFAOYSA-N 1 0 409.534 3.136 50 0 HGAARO COc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000067614214 558989550 /nfs/dbraw/zinc/98/95/50/558989550.db2.gz FYKNVXYXTZKETQ-UHFFFAOYSA-N 1 0 406.486 3.274 50 0 HGAARO O=C(Nc1ccccc1)C1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000023039733 558992953 /nfs/dbraw/zinc/99/29/53/558992953.db2.gz VDQJGEGFAFFQAO-UHFFFAOYSA-N 1 0 405.498 3.414 50 0 HGAARO Cc1ccn2cc(C(=O)N3CCC[C@@H]([NH+]4CCN(c5ccccc5C)CC4)C3)nc2c1 ZINC000067850958 558994090 /nfs/dbraw/zinc/99/40/90/558994090.db2.gz YHWIDVRPQGHNRZ-OAQYLSRUSA-N 1 0 417.557 3.378 50 0 HGAARO Cc1ccn2cc(C(=O)N3CCC[C@H]([NH+]4CCN(c5ccccc5C)CC4)C3)nc2c1 ZINC000067850956 558994108 /nfs/dbraw/zinc/99/41/08/558994108.db2.gz YHWIDVRPQGHNRZ-NRFANRHFSA-N 1 0 417.557 3.378 50 0 HGAARO O=C(c1cc(CN2CCC(Cc3ccccc3)CC2)on1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000067885887 558994440 /nfs/dbraw/zinc/99/44/40/558994440.db2.gz YFYHCYUNCCYFSK-OAQYLSRUSA-N 1 0 408.546 3.050 50 0 HGAARO C[NH+](C)Cc1cccc(C(=O)N[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)c1 ZINC000097108897 558995177 /nfs/dbraw/zinc/99/51/77/558995177.db2.gz FVOCOFRAZXWDQQ-KRWDZBQOSA-N 1 0 403.408 3.405 50 0 HGAARO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000097034452 559022163 /nfs/dbraw/zinc/02/21/63/559022163.db2.gz SXKQPZSVQNNKSE-YDHSSHFGSA-N 1 0 415.603 3.498 50 0 HGAARO Cc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)c1 ZINC000082096810 559037464 /nfs/dbraw/zinc/03/74/64/559037464.db2.gz HKESFMXRYVETQP-QFIPXVFZSA-N 1 0 420.557 3.023 50 0 HGAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000082120771 559039358 /nfs/dbraw/zinc/03/93/58/559039358.db2.gz UAHCOMRGRKTKSD-GOSISDBHSA-N 1 0 413.953 3.127 50 0 HGAARO CCN(CCOC)C(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082146978 559040855 /nfs/dbraw/zinc/04/08/55/559040855.db2.gz CTXJOOMOTSGYJF-SFHVURJKSA-N 1 0 414.550 3.004 50 0 HGAARO CCCn1c2ccccc2nc(-c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2)c1=O ZINC000033298501 559047929 /nfs/dbraw/zinc/04/79/29/559047929.db2.gz WKJIJHQHHSOGKF-UHFFFAOYSA-N 1 0 404.514 3.251 50 0 HGAARO [NH3+]CCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@H]1Cc1ccccc1 ZINC000092065267 559075363 /nfs/dbraw/zinc/07/53/63/559075363.db2.gz NBFRKIGOPSXTCM-JOCHJYFZSA-N 1 0 413.521 3.489 50 0 HGAARO CCOc1cc(C[NH2+]C[C@H]2CCCN2CC)ccc1Oc1nnnn1-c1ccccc1 ZINC000096319052 559109901 /nfs/dbraw/zinc/10/99/01/559109901.db2.gz LOGLACYTPGZRNM-HXUWFJFHSA-N 1 0 422.533 3.427 50 0 HGAARO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000023354728 559173114 /nfs/dbraw/zinc/17/31/14/559173114.db2.gz VWKGCFZLJHXHLR-UHFFFAOYSA-N 1 0 403.429 3.155 50 0 HGAARO COc1cccc(C[NH2+]CCSc2nnnn2C)c1OCc1ccccc1Cl ZINC000004998050 559225691 /nfs/dbraw/zinc/22/56/91/559225691.db2.gz PFSANVWKYULHJQ-UHFFFAOYSA-N 1 0 419.938 3.333 50 0 HGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CSc1cc(=O)n(C)c2ccccc12 ZINC000005007922 559226868 /nfs/dbraw/zinc/22/68/68/559226868.db2.gz XZVMUXWJQACUDK-KRWDZBQOSA-N 1 0 401.576 3.401 50 0 HGAARO CCOc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)C2CCCC2)CC1 ZINC000005057802 559238118 /nfs/dbraw/zinc/23/81/18/559238118.db2.gz FVNRFWUGINSHOO-OUKQBFOZSA-N 1 0 413.562 3.080 50 0 HGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccn2-c2cccnc2)CC1 ZINC000011821046 559260430 /nfs/dbraw/zinc/26/04/30/559260430.db2.gz DBVRIODBEAILPM-JOCHJYFZSA-N 1 0 423.605 3.465 50 0 HGAARO COC[C@H]1CCN(C(=O)c2ccccc2OC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000011821590 559260613 /nfs/dbraw/zinc/26/06/13/559260613.db2.gz NHPOVKYACKZQGU-IBGZPJMESA-N 1 0 409.530 3.234 50 0 HGAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000061721957 560538020 /nfs/dbraw/zinc/53/80/20/560538020.db2.gz JNAKPEFQAFTWNI-IBGZPJMESA-N 1 0 401.514 3.158 50 0 HGAARO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1)N1CCOCC1 ZINC000017317364 560708838 /nfs/dbraw/zinc/70/88/38/560708838.db2.gz PNYWNSRHYLBFHO-UHFFFAOYSA-N 1 0 414.449 3.016 50 0 HGAARO COc1ccc([C@@H](CNC(=O)CNC(=O)c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000017911790 560730471 /nfs/dbraw/zinc/73/04/71/560730471.db2.gz YVYDHSGVSFRUET-HXUWFJFHSA-N 1 0 415.921 3.032 50 0 HGAARO CN1c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2C(=O)N2CCC[C@@H]21 ZINC000583649009 560779099 /nfs/dbraw/zinc/77/90/99/560779099.db2.gz KYIRTBXAYCXISD-HSZRJFAPSA-N 1 0 418.541 3.093 50 0 HGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000005704760 560802629 /nfs/dbraw/zinc/80/26/29/560802629.db2.gz JEVFQJURPBJKJP-HXUWFJFHSA-N 1 0 410.518 3.477 50 0 HGAARO CC[C@@]1(C2CC[NH+](CCC(C)C)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000012039000 560887710 /nfs/dbraw/zinc/88/77/10/560887710.db2.gz TZXNUHUAPKHQSE-QHCPKHFHSA-N 1 0 415.534 3.374 50 0 HGAARO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000107514320 560896432 /nfs/dbraw/zinc/89/64/32/560896432.db2.gz KXPVXTLLUPVLAV-DZGCQCFKSA-N 1 0 403.445 3.413 50 0 HGAARO C[NH+](C)CCNC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000005207891 568417423 /nfs/dbraw/zinc/41/74/23/568417423.db2.gz ZMXHVNJBSKQHEC-UHFFFAOYSA-N 1 0 402.709 3.148 50 0 HGAARO C[N@@H+]1CCCN(c2ccc(NC(=O)NCCCOCc3ccco3)cc2F)CC1 ZINC000045157814 568418489 /nfs/dbraw/zinc/41/84/89/568418489.db2.gz HDAGWGOQBQWVSN-UHFFFAOYSA-N 1 0 404.486 3.289 50 0 HGAARO C[NH+](C)C[C@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[C@H](O)c1ccccc1 ZINC000048278421 568435735 /nfs/dbraw/zinc/43/57/35/568435735.db2.gz CMJOFTRJPPJZHU-SIKLNZKXSA-N 1 0 411.550 3.105 50 0 HGAARO Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCC[N@@H+](C)CC4)nc3)cc2c1 ZINC000048286501 568436102 /nfs/dbraw/zinc/43/61/02/568436102.db2.gz MLVLNXQZZXKODV-UHFFFAOYSA-N 1 0 403.530 3.319 50 0 HGAARO Cc1c(C(=O)NCc2cccc(Cl)c2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048270 568510857 /nfs/dbraw/zinc/51/08/57/568510857.db2.gz NGSOVLJOIRHCAT-UHFFFAOYSA-N 1 0 415.950 3.335 50 0 HGAARO Cc1n[nH]cc1CCCNC(=O)[C@H](C)C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000095400402 568605031 /nfs/dbraw/zinc/60/50/31/568605031.db2.gz FGGYGJMKMODPIH-GOSISDBHSA-N 1 0 421.545 3.167 50 0 HGAARO C[C@H]([NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000095459712 568619871 /nfs/dbraw/zinc/61/98/71/568619871.db2.gz CEGFMUVQUXCSML-INIZCTEOSA-N 1 0 409.511 3.437 50 0 HGAARO CC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@]23c2ccccc2N(C)C3=O)cc1 ZINC000020513541 568622142 /nfs/dbraw/zinc/62/21/42/568622142.db2.gz DRDWZWPEMFPULX-VAXXYWNWSA-N 1 0 403.482 3.184 50 0 HGAARO O=S(=O)(NC1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1)c1ccccc1 ZINC000225396208 568633748 /nfs/dbraw/zinc/63/37/48/568633748.db2.gz HBNXUQFUILQMSD-QHCPKHFHSA-N 1 0 424.566 3.186 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000020862005 568645988 /nfs/dbraw/zinc/64/59/88/568645988.db2.gz HBNXSEOYYXNMRF-MRXNPFEDSA-N 1 0 416.591 3.083 50 0 HGAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cn(CCc3ccccc3)nn2)C1 ZINC000012385351 568672847 /nfs/dbraw/zinc/67/28/47/568672847.db2.gz IKJGTXNGDNHISC-OAQYLSRUSA-N 1 0 403.530 3.049 50 0 HGAARO CCCSc1ccccc1N1CC[NH+](CCCCCCN2C(=O)CNC2=O)CC1 ZINC000096027655 568686798 /nfs/dbraw/zinc/68/67/98/568686798.db2.gz NOCKVQWMLCWVBV-UHFFFAOYSA-N 1 0 418.607 3.423 50 0 HGAARO CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CC[NH+](C)CC5)cc(C)c4n3)cc12 ZINC000148474965 568748439 /nfs/dbraw/zinc/74/84/39/568748439.db2.gz GYFRQCMDLBNZSF-UHFFFAOYSA-N 1 0 416.529 3.393 50 0 HGAARO C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CC[NH+]1CCCC1 ZINC000021864155 568755630 /nfs/dbraw/zinc/75/56/30/568755630.db2.gz ROQDCBPFFRQJJG-DEOSSOPVSA-N 1 0 424.545 3.117 50 0 HGAARO CCC[NH+](CCC)CCCNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000021868223 568755876 /nfs/dbraw/zinc/75/58/76/568755876.db2.gz ZXNKWDSVNLXHJN-UHFFFAOYSA-N 1 0 417.506 3.215 50 0 HGAARO Cc1ccc([C@@H](CNC(=O)c2cccc(Br)c2)N2CC[NH+](C)CC2)cc1 ZINC000022582473 568770622 /nfs/dbraw/zinc/77/06/22/568770622.db2.gz HLNUGIFZXNPIMC-HXUWFJFHSA-N 1 0 416.363 3.476 50 0 HGAARO Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CC[NH+](C)CC2)cc1 ZINC000022582591 568770667 /nfs/dbraw/zinc/77/06/67/568770667.db2.gz SHRIMHQQFPRCFU-INIZCTEOSA-N 1 0 406.324 3.069 50 0 HGAARO c1nn(-c2ccccc2)c2ncnc(N3CC[NH+](CCOc4ccccc4)CC3)c12 ZINC000055390911 568773607 /nfs/dbraw/zinc/77/36/07/568773607.db2.gz WNDKQLYMQPBDDT-UHFFFAOYSA-N 1 0 400.486 3.017 50 0 HGAARO COc1ccc(C(=O)NC[C@@H](c2cccnc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000056896104 568820940 /nfs/dbraw/zinc/82/09/40/568820940.db2.gz BHAOOVSYWNMLJL-DEOSSOPVSA-N 1 0 416.525 3.384 50 0 HGAARO CCOc1ccc(OCCOc2ccc(C[NH2+]CC(=O)N(C)C)cc2OCC)cc1 ZINC000057681796 568858173 /nfs/dbraw/zinc/85/81/73/568858173.db2.gz UODJFJHCNSJZRT-UHFFFAOYSA-N 1 0 416.518 3.120 50 0 HGAARO COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2CC[NH+](C)CC2)c1 ZINC000025629912 568868059 /nfs/dbraw/zinc/86/80/59/568868059.db2.gz AGBOOBWIUBIIFT-UHFFFAOYSA-N 1 0 404.514 3.431 50 0 HGAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000057992087 568873192 /nfs/dbraw/zinc/87/31/92/568873192.db2.gz RKQZVYFIUMOCFC-VUMVONDWSA-N 1 0 419.481 3.134 50 0 biogenic HGAARO COc1cccc(-n2c(SC)nnc2C2CC[NH+](Cc3cn(C)nc3C)CC2)c1 ZINC000299763235 568873564 /nfs/dbraw/zinc/87/35/64/568873564.db2.gz YBRNQPNXRMXGSR-UHFFFAOYSA-N 1 0 412.563 3.419 50 0 HGAARO CC[NH+](CC)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1cc(C)nn1C ZINC000299777841 568874651 /nfs/dbraw/zinc/87/46/51/568874651.db2.gz CQRBCPMQBPKZOD-UHFFFAOYSA-N 1 0 415.519 3.219 50 0 HGAARO Cc1ccccc1C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299781861 568874948 /nfs/dbraw/zinc/87/49/48/568874948.db2.gz LWZKKXIULPQTSP-HSZRJFAPSA-N 1 0 412.505 3.405 50 0 HGAARO O=C1CO[C@H](CNc2nc3ccccc3s2)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299788013 568875515 /nfs/dbraw/zinc/87/55/15/568875515.db2.gz VOSFUCCDVGFHEA-GOSISDBHSA-N 1 0 414.575 3.058 50 0 HGAARO O=C(CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1N1CCOCC1)N1CCCC1 ZINC000299786502 568875667 /nfs/dbraw/zinc/87/56/67/568875667.db2.gz MJDPSLIYVOFAIY-RBBKRZOGSA-N 1 0 419.997 3.265 50 0 HGAARO COc1cc(CNC[C@@H](C[NH+](C)C)[C@H](O)c2ccccc2)cc(OC)c1OC(F)F ZINC000058050991 568881125 /nfs/dbraw/zinc/88/11/25/568881125.db2.gz NFTJQPXUGMNBKM-FXAWDEMLSA-N 1 0 424.488 3.306 50 0 HGAARO COCCn1ccc2c1cccc2OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000263588239 568883720 /nfs/dbraw/zinc/88/37/20/568883720.db2.gz QRTOGGYRUBYMLM-UHFFFAOYSA-N 1 0 421.541 3.447 50 0 HGAARO O=C(NCCCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1F ZINC000058173973 568896529 /nfs/dbraw/zinc/89/65/29/568896529.db2.gz CGPIWVUELCZDHY-UHFFFAOYSA-N 1 0 418.557 3.243 50 0 HGAARO Cc1c(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)sc2ncn(C)c(=O)c12 ZINC000031201548 568919119 /nfs/dbraw/zinc/91/91/19/568919119.db2.gz TUIGDHROBVTXBD-UHFFFAOYSA-N 1 0 424.570 3.465 50 0 HGAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cccc(I)c1 ZINC000031338018 568924422 /nfs/dbraw/zinc/92/44/22/568924422.db2.gz TXOAKQBCGRLXDC-UHFFFAOYSA-N 1 0 406.267 3.079 50 0 HGAARO COc1ccccc1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000012749282 568936691 /nfs/dbraw/zinc/93/66/91/568936691.db2.gz ZWCGPYIWTPUYTI-GOSISDBHSA-N 1 0 421.419 3.433 50 0 HGAARO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012757635 568943319 /nfs/dbraw/zinc/94/33/19/568943319.db2.gz MWCIOPMTCAALIF-UHFFFAOYSA-N 1 0 409.530 3.480 50 0 HGAARO COc1cc(Br)c(OC)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000012762256 568946506 /nfs/dbraw/zinc/94/65/06/568946506.db2.gz UHQVPVSYGVDKOS-OAHLLOKOSA-N 1 0 419.319 3.471 50 0 HGAARO O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000004199800 568951359 /nfs/dbraw/zinc/95/13/59/568951359.db2.gz DKBNJAUUKBWPGF-OAHLLOKOSA-N 1 0 415.419 3.335 50 0 HGAARO COc1cccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)[NH+]2CCCC2)c1 ZINC000012789061 568960707 /nfs/dbraw/zinc/96/07/07/568960707.db2.gz XANMSWZUNXRGOP-REWPJTCUSA-N 1 0 421.541 3.310 50 0 HGAARO O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000007986419 568964692 /nfs/dbraw/zinc/96/46/92/568964692.db2.gz QRFFATURWFKMEQ-SFHVURJKSA-N 1 0 410.543 3.261 50 0 HGAARO COc1ccccc1[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)[NH+]1CCCC1 ZINC000008134025 568976577 /nfs/dbraw/zinc/97/65/77/568976577.db2.gz BTCMKZGIULGOEG-NRFANRHFSA-N 1 0 407.514 3.389 50 0 HGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000015724275 568977669 /nfs/dbraw/zinc/97/76/69/568977669.db2.gz VPVMXVAORFYWFP-OAQYLSRUSA-N 1 0 423.561 3.204 50 0 HGAARO CC(C)C[NH+](CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)CC(C)C ZINC000015731049 568981513 /nfs/dbraw/zinc/98/15/13/568981513.db2.gz LRIDRYFNVPOBPZ-UHFFFAOYSA-N 1 0 413.609 3.013 50 0 HGAARO O=C(NCCC[NH+]1CCCCCC1)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770199 568997557 /nfs/dbraw/zinc/99/75/57/568997557.db2.gz SUTLOAOYOMIIMJ-UHFFFAOYSA-N 1 0 401.580 3.290 50 0 HGAARO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008424948 569001985 /nfs/dbraw/zinc/00/19/85/569001985.db2.gz VJUALCDTAIBMKL-DLBZAZTESA-N 1 0 404.580 3.319 50 0 HGAARO CC1(C)CC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC(C)(C)[NH2+]1 ZINC000012824908 569009086 /nfs/dbraw/zinc/00/90/86/569009086.db2.gz WLVPLWGYIMYFKZ-CYBMUJFWSA-N 1 0 422.367 3.227 50 0 HGAARO c1[nH]c2ccccc2c1CC[NH2+]C1(c2nnnn2Cc2cccnc2)CCSCC1 ZINC000575443936 569028563 /nfs/dbraw/zinc/02/85/63/569028563.db2.gz ZLZKHXKJPDUSCK-UHFFFAOYSA-N 1 0 419.558 3.152 50 0 HGAARO CCOc1cc(C[NH2+]CCCn2ccnc2)ccc1OCC(=O)Nc1ccccc1 ZINC000035310473 569031104 /nfs/dbraw/zinc/03/11/04/569031104.db2.gz UBCZAGDHSMOJID-UHFFFAOYSA-N 1 0 408.502 3.479 50 0 HGAARO O=C(NCC[NH+]1CCCCC1)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000035455149 569037862 /nfs/dbraw/zinc/03/78/62/569037862.db2.gz MYYAPQYFJWSEEQ-IBGZPJMESA-N 1 0 411.525 3.101 50 0 HGAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000225397524 569039869 /nfs/dbraw/zinc/03/98/69/569039869.db2.gz XLTWXKWDRSVIMP-MONBJTKQSA-N 1 0 402.510 3.353 50 0 HGAARO CCCN(CC(=O)NCc1ccc(C)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000016390187 569040925 /nfs/dbraw/zinc/04/09/25/569040925.db2.gz LYSMSBRPFBDPJV-UHFFFAOYSA-N 1 0 407.436 3.379 50 0 HGAARO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000239762206 569054599 /nfs/dbraw/zinc/05/45/99/569054599.db2.gz CLJNYNHNXOZERL-SPOLIRPYSA-N 1 0 407.352 3.263 50 0 HGAARO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000242001095 569054931 /nfs/dbraw/zinc/05/49/31/569054931.db2.gz VCYKWBJRYYCPME-ATZDWAIDSA-N 1 0 407.352 3.345 50 0 HGAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245313102 569055836 /nfs/dbraw/zinc/05/58/36/569055836.db2.gz ZZFPRVRWYARAIA-IZZGNVEXSA-N 1 0 415.493 3.043 50 0 HGAARO C[NH+]1CCN(CCOc2ccccc2NC(=O)COc2ccc3ccccc3c2)CC1 ZINC000089382711 569058886 /nfs/dbraw/zinc/05/88/86/569058886.db2.gz HYILMVHVZLOTPO-UHFFFAOYSA-N 1 0 419.525 3.484 50 0 HGAARO C[NH+]1CCN(c2nc3nn(-c4ccccc4)c(N)c3c(-c3ccccc3Cl)n2)CC1 ZINC000035929672 569066675 /nfs/dbraw/zinc/06/66/75/569066675.db2.gz BXDQMQXRJNKNPE-UHFFFAOYSA-N 1 0 419.920 3.470 50 0 HGAARO Cc1cccc(CN(Cc2ccccc2)C(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)n1 ZINC000426491347 569073138 /nfs/dbraw/zinc/07/31/38/569073138.db2.gz CNYCQFFKGXPDFS-OAQYLSRUSA-N 1 0 403.530 3.283 50 0 HGAARO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035991555 569074740 /nfs/dbraw/zinc/07/47/40/569074740.db2.gz GGISFVGQVDQWKJ-HXUWFJFHSA-N 1 0 403.498 3.461 50 0 HGAARO COc1ccccc1CN(Cc1nc(C(=O)NCC[NH+](C)C)co1)Cc1ccccc1 ZINC000036053773 569083907 /nfs/dbraw/zinc/08/39/07/569083907.db2.gz JCLLBGTUSPRIBM-UHFFFAOYSA-N 1 0 422.529 3.177 50 0 HGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[NH2+]CCc3ccccc3)cc21 ZINC000006732825 569103952 /nfs/dbraw/zinc/10/39/52/569103952.db2.gz BNIMQLNSPYAJEB-IBGZPJMESA-N 1 0 410.514 3.235 50 0 HGAARO Cc1nc2cc(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)ccc2n(C)c1=O ZINC000064859013 569109288 /nfs/dbraw/zinc/10/92/88/569109288.db2.gz DPJRJIOTCQWVLD-UHFFFAOYSA-N 1 0 422.504 3.023 50 0 HGAARO CC[C@H](C)[C@H]([NH2+]C[C@@H](O)COCC(C)C)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000169680061 569126751 /nfs/dbraw/zinc/12/67/51/569126751.db2.gz IGQLYGXVUANRAH-GMBSWORKSA-N 1 0 405.495 3.176 50 0 HGAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC000036341269 569141846 /nfs/dbraw/zinc/14/18/46/569141846.db2.gz FUFGMBYVPVITEY-QFIPXVFZSA-N 1 0 412.484 3.280 50 0 HGAARO CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH2+]C[C@@H]2C)cc1 ZINC000036343970 569142436 /nfs/dbraw/zinc/14/24/36/569142436.db2.gz FIYFSGPSPYEMRH-GAJHUEQPSA-N 1 0 424.520 3.196 50 0 HGAARO Cc1ccc(C(=O)N2[C@H](C(=O)NCC[NH+](C)C)CS[C@@H]2C2CCCCC2)cc1 ZINC000006838349 569149619 /nfs/dbraw/zinc/14/96/19/569149619.db2.gz URVPKNCRRFHEBR-SIKLNZKXSA-N 1 0 403.592 3.137 50 0 HGAARO Cc1c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841215 569151837 /nfs/dbraw/zinc/15/18/37/569151837.db2.gz WYLZUJWSIQMIJV-AWEZNQCLSA-N 1 0 402.564 3.097 50 0 HGAARO Cc1c(C(=O)NCC[N@@H+](C)C2CCCCC2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841184 569151875 /nfs/dbraw/zinc/15/18/75/569151875.db2.gz IUOUPSPBJAROKH-UHFFFAOYSA-N 1 0 402.564 3.097 50 0 HGAARO C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000036395393 569168763 /nfs/dbraw/zinc/16/87/63/569168763.db2.gz YFRVCXMULMTCAR-YOSAUDMPSA-N 1 0 407.558 3.300 50 0 HGAARO CCCn1c2ccccc2c2cnn(CC(=O)NCC[N@H+](C)C3CCCCC3)c(=O)c21 ZINC000006900129 569176225 /nfs/dbraw/zinc/17/62/25/569176225.db2.gz HVUOVCBTAMZXMM-UHFFFAOYSA-N 1 0 423.561 3.142 50 0 HGAARO COc1ccc(CNC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)cc1 ZINC000065256312 569208424 /nfs/dbraw/zinc/20/84/24/569208424.db2.gz KCOOXLBXJYTJGE-JOCHJYFZSA-N 1 0 402.498 3.171 50 0 HGAARO COc1ccc(-c2nccn3cc(C(=O)NCC[N@H+](C)C4CCCCC4)nc23)cc1 ZINC000065274462 569215034 /nfs/dbraw/zinc/21/50/34/569215034.db2.gz UTEXBEZGWGAACQ-UHFFFAOYSA-N 1 0 407.518 3.399 50 0 HGAARO C[NH+](C)CCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4)nc3s2)CC1 ZINC000065272089 569215526 /nfs/dbraw/zinc/21/55/26/569215526.db2.gz RDHCVIFYUJBIMY-UHFFFAOYSA-N 1 0 409.559 3.253 50 0 HGAARO O=C(NCCC[NH+]1CCCC1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000065512328 569233204 /nfs/dbraw/zinc/23/32/04/569233204.db2.gz QFLFLFONEAJZCS-INIZCTEOSA-N 1 0 409.372 3.061 50 0 HGAARO CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c12 ZINC000170613412 569246905 /nfs/dbraw/zinc/24/69/05/569246905.db2.gz ZGEOFWSOSHNWQY-MOPGFXCFSA-N 1 0 412.530 3.423 50 0 HGAARO CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)C1CCCCCCC1 ZINC000170616836 569247570 /nfs/dbraw/zinc/24/75/70/569247570.db2.gz APEUGZZJFOHRHD-UHFFFAOYSA-N 1 0 424.611 3.163 50 0 HGAARO COC(=O)c1c(NC(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)sc2c1CC[C@H](C)C2 ZINC000089930119 569268873 /nfs/dbraw/zinc/26/88/73/569268873.db2.gz KZAWAGDFWRAJQK-JKSUJKDBSA-N 1 0 419.591 3.016 50 0 HGAARO COc1ccccc1-c1nc(NCC[NH+](C)C)nc2nn(Cc3ccccc3)c(N)c21 ZINC000037358864 569277488 /nfs/dbraw/zinc/27/74/88/569277488.db2.gz ABUDONCOZGQOEI-UHFFFAOYSA-N 1 0 417.517 3.106 50 0 HGAARO Cc1cccc(-c2nc(N3CC[NH+](C)CC3)nc3nn(-c4cccc(F)c4)c(N)c32)c1 ZINC000037360619 569283618 /nfs/dbraw/zinc/28/36/18/569283618.db2.gz YZWYTXDDMCEVFL-UHFFFAOYSA-N 1 0 417.492 3.264 50 0 HGAARO COc1ccc([C@@H]2CCCN2CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(OC)c1 ZINC000252444239 569285911 /nfs/dbraw/zinc/28/59/11/569285911.db2.gz XVRDAHOIFCIAKM-QRFQSNJMSA-N 1 0 401.507 3.299 50 0 HGAARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000002147870 569289739 /nfs/dbraw/zinc/28/97/39/569289739.db2.gz GLQDHYZYYYRCEH-ZCNNSNEGSA-N 1 0 413.521 3.436 50 0 biogenic HGAARO O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000252550537 569294122 /nfs/dbraw/zinc/29/41/22/569294122.db2.gz SQSSCLUVOQEHNC-QGZVFWFLSA-N 1 0 422.538 3.342 50 0 HGAARO COc1ccc(CN(C)CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000007682640 569300428 /nfs/dbraw/zinc/30/04/28/569300428.db2.gz ZNTSBNNGAPRJIH-UHFFFAOYSA-N 1 0 421.497 3.313 50 0 HGAARO CC[NH+](CC)CCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000002289804 569365099 /nfs/dbraw/zinc/36/50/99/569365099.db2.gz PJOGXJQQEPCXNN-UHFFFAOYSA-N 1 0 423.542 3.341 50 0 HGAARO Cc1cc(N2CCC(CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc[nH+]1 ZINC000253399646 569365364 /nfs/dbraw/zinc/36/53/64/569365364.db2.gz JSYBAXOGRBCVJD-UHFFFAOYSA-N 1 0 404.873 3.154 50 0 HGAARO COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c1C2 ZINC000253414277 569366998 /nfs/dbraw/zinc/36/69/98/569366998.db2.gz WYONCSJRVNDSTA-HNAYVOBHSA-N 1 0 424.545 3.335 50 0 biogenic HGAARO Cc1cc(C)n(Cc2ccc(C(=O)N3CC[C@@H](OCC[NH+]4CCCCC4)C3)cc2)n1 ZINC000079106000 569427754 /nfs/dbraw/zinc/42/77/54/569427754.db2.gz YJVDDTNHBJQETO-HSZRJFAPSA-N 1 0 410.562 3.265 50 0 HGAARO Cc1c(OCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc2c3c(c(=O)oc12)CCC3 ZINC000079188610 569429023 /nfs/dbraw/zinc/42/90/23/569429023.db2.gz RFHACVUULFDMKG-LAUBAEHRSA-N 1 0 424.541 3.350 50 0 biogenic HGAARO COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079190738 569429361 /nfs/dbraw/zinc/42/93/61/569429361.db2.gz HCJKJACDWSCUHZ-AZUAARDMSA-N 1 0 412.530 3.423 50 0 biogenic HGAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N(C)C1CC[NH+](C)CC1)OC(C)(C)CC3 ZINC000008879182 571131152 /nfs/dbraw/zinc/13/11/52/571131152.db2.gz AUYSUPQGZKXKRE-UHFFFAOYSA-N 1 0 412.530 3.300 50 0 biogenic HGAARO O=C(CN1C(=S)N=NC1c1cccs1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000040040413 571142581 /nfs/dbraw/zinc/14/25/81/571142581.db2.gz IWWIXGFQLWRDKJ-AWEZNQCLSA-N 1 0 417.560 3.232 50 0 HGAARO COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008893169 571143059 /nfs/dbraw/zinc/14/30/59/571143059.db2.gz RJFRCHFWUDXRGF-FQEVSTJZSA-N 1 0 415.559 3.106 50 0 HGAARO O=S(=O)(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000008901322 571144570 /nfs/dbraw/zinc/14/45/70/571144570.db2.gz PSJRKSMQNVCDFI-GOSISDBHSA-N 1 0 422.572 3.415 50 0 HGAARO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000040051359 571145312 /nfs/dbraw/zinc/14/53/12/571145312.db2.gz DHLQMQQQQLGETD-PGRDOPGGSA-N 1 0 408.498 3.269 50 0 HGAARO O=C(Cc1cccc2cccnc21)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000040087048 571157571 /nfs/dbraw/zinc/15/75/71/571157571.db2.gz GVPPRIGROHLRCI-UHFFFAOYSA-N 1 0 402.542 3.101 50 0 HGAARO C[NH+](C)C[C@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@@H](O)c1ccccc1 ZINC000040104957 571165755 /nfs/dbraw/zinc/16/57/55/571165755.db2.gz GWZYOBTUZIUZIP-CVDCTZTESA-N 1 0 424.545 3.236 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000040112266 571170498 /nfs/dbraw/zinc/17/04/98/571170498.db2.gz NPJPNSXYESBKAI-SFHVURJKSA-N 1 0 419.525 3.221 50 0 HGAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000040112274 571170614 /nfs/dbraw/zinc/17/06/14/571170614.db2.gz GRFSGJWVEWJYIT-MRXNPFEDSA-N 1 0 405.498 3.074 50 0 HGAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](C(C)C)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)c1 ZINC000009042710 571215199 /nfs/dbraw/zinc/21/51/99/571215199.db2.gz GDXJQZFJTRLPIA-RGZWJVDOSA-N 1 0 423.513 3.432 50 0 HGAARO CCOC(=O)C1=C(C[N@H+](C)[C@H]2CCCc3ccccc32)NC(=O)N[C@H]1c1ccco1 ZINC000245237334 571219337 /nfs/dbraw/zinc/21/93/37/571219337.db2.gz JVIBEVQYMAWWOF-RXVVDRJESA-N 1 0 409.486 3.460 50 0 HGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000009217440 571237517 /nfs/dbraw/zinc/23/75/17/571237517.db2.gz CNGGCLQFRVPLDK-HXUWFJFHSA-N 1 0 413.493 3.224 50 0 HGAARO CCOc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009328358 571248469 /nfs/dbraw/zinc/24/84/69/571248469.db2.gz ZYFLZKYVSUGSCD-OAQYLSRUSA-N 1 0 422.481 3.307 50 0 HGAARO Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000069893853 571248577 /nfs/dbraw/zinc/24/85/77/571248577.db2.gz DNNUAARRLKGXES-UHFFFAOYSA-N 1 0 401.514 3.370 50 0 HGAARO O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009364451 571251821 /nfs/dbraw/zinc/25/18/21/571251821.db2.gz PALMONYDRIFXLY-UHFFFAOYSA-N 1 0 421.950 3.243 50 0 HGAARO CC[NH+](CC)CCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc21 ZINC000009581844 571270922 /nfs/dbraw/zinc/27/09/22/571270922.db2.gz SOTDSVKJDVQGAG-DEOSSOPVSA-N 1 0 418.541 3.480 50 0 HGAARO COc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)cc1OC ZINC000010335626 571300793 /nfs/dbraw/zinc/30/07/93/571300793.db2.gz OKSRYIOXZRWGHE-FQEVSTJZSA-N 1 0 414.527 3.438 50 0 HGAARO O=C1[C@@H]2CCCCN2C(=O)N1CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000641753 132229586 /nfs/dbraw/zinc/22/95/86/132229586.db2.gz MOTJYLIHRABCOF-SFHVURJKSA-N 1 0 424.467 3.034 50 0 HGAARO CC[NH+](CC)CCNC(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)Oc2ccccc21 ZINC000004932615 132295826 /nfs/dbraw/zinc/29/58/26/132295826.db2.gz VBCAVGJXHCYWPK-RCCKNPSSSA-N 1 0 411.477 3.050 50 0 HGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCC(=O)N2C[C@H](C)Oc3ccccc32)C1 ZINC000006798327 132317261 /nfs/dbraw/zinc/31/72/61/132317261.db2.gz RKRQHGNWAYNPFJ-OTWHNJEPSA-N 1 0 401.551 3.065 50 0 HGAARO CN1c2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)ccc2N2CCCC[C@@H]2C1=O ZINC000009528819 132340625 /nfs/dbraw/zinc/34/06/25/132340625.db2.gz RBUMMOVOJSWFBL-JOCHJYFZSA-N 1 0 420.557 3.274 50 0 HGAARO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C(C)=O)cc3OC)cc2)CC1 ZINC000011944341 132352464 /nfs/dbraw/zinc/35/24/64/132352464.db2.gz AVZYMGKPTAYDSH-UHFFFAOYSA-N 1 0 411.502 3.057 50 0 HGAARO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)nnn1-c1cc(C)ccc1C ZINC000012274076 132357976 /nfs/dbraw/zinc/35/79/76/132357976.db2.gz MWTVWMLNOGUTQK-UHFFFAOYSA-N 1 0 404.518 3.197 50 0 HGAARO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000012557716 132363803 /nfs/dbraw/zinc/36/38/03/132363803.db2.gz JCWAYUSCMVZWHA-HSZRJFAPSA-N 1 0 404.514 3.341 50 0 HGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(COCC(F)(F)F)cc3)cn2)CC1 ZINC000022471803 132474610 /nfs/dbraw/zinc/47/46/10/132474610.db2.gz JAYCPCDRUCFGAT-UHFFFAOYSA-N 1 0 408.424 3.165 50 0 HGAARO CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)c2cccs2)CC1 ZINC000029754322 132496279 /nfs/dbraw/zinc/49/62/79/132496279.db2.gz FZIWYLRRDCLRKB-MOPGFXCFSA-N 1 0 413.591 3.344 50 0 HGAARO CCCSc1nn(CCC[NH+](C)C)c2nc3sc4c(c3c(=O)n12)CCCC4 ZINC000040284141 520569973 /nfs/dbraw/zinc/56/99/73/520569973.db2.gz XKINUNDJXDVNPF-UHFFFAOYSA-N 1 0 405.593 3.438 50 0 HGAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](CC3=Cc4cc(Cl)ccc4OC3)C2)CC1 ZINC000020540299 520959877 /nfs/dbraw/zinc/95/98/77/520959877.db2.gz WITDILJSJTVVLI-HXUWFJFHSA-N 1 0 419.953 3.354 50 0 HGAARO C[NH+](C)CCN(CCc1ccccc1)C(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000032931705 521748285 /nfs/dbraw/zinc/74/82/85/521748285.db2.gz BUQAPDYRYMOVCB-UHFFFAOYSA-N 1 0 401.938 3.093 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)C1CCCCC1 ZINC000040104760 522077404 /nfs/dbraw/zinc/07/74/04/522077404.db2.gz SIULCVZBHXJITK-WOJBJXKFSA-N 1 0 402.539 3.436 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccc(F)c1 ZINC000032795270 522079567 /nfs/dbraw/zinc/07/95/67/522079567.db2.gz LPUZKUBQUBNCIT-HNAYVOBHSA-N 1 0 403.885 3.251 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCNC(=O)Cc3ccccc3)cc2)C1 ZINC000032930081 524096453 /nfs/dbraw/zinc/09/64/53/524096453.db2.gz WNMMZDNOMBXDHQ-FQEVSTJZSA-N 1 0 407.558 3.284 50 0 HGAARO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000045822013 524449901 /nfs/dbraw/zinc/44/99/01/524449901.db2.gz RPHPMMQMCWUPMM-NRFANRHFSA-N 1 0 400.494 3.077 50 0 HGAARO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000032740372 524517219 /nfs/dbraw/zinc/51/72/19/524517219.db2.gz LGGVVJFQBVNWIW-VQIMIIECSA-N 1 0 403.548 3.137 50 0 HGAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cc(C)oc3C)CC2)c(C)c1 ZINC000043954235 525056137 /nfs/dbraw/zinc/05/61/37/525056137.db2.gz CEPQMAALDKMIHU-UHFFFAOYSA-N 1 0 406.548 3.404 50 0 HGAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000032748008 525077708 /nfs/dbraw/zinc/07/77/08/525077708.db2.gz XUXIHIAXEBSNJK-UHFFFAOYSA-N 1 0 406.530 3.055 50 0 HGAARO Cc1ccc(-n2cc3c(n2)NCCc2cnc(N4CC[NH+](C(C)C)CC4)nc2-3)cc1 ZINC000032918702 525910375 /nfs/dbraw/zinc/91/03/75/525910375.db2.gz ZXRLTJGCSYNQMQ-UHFFFAOYSA-N 1 0 403.534 3.136 50 0 HGAARO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3ccc(Sc4nncn4C)o3)C2)c1 ZINC000020599931 525938111 /nfs/dbraw/zinc/93/81/11/525938111.db2.gz CAJBHNQDWFOTCO-QGZVFWFLSA-N 1 0 413.547 3.322 50 0 HGAARO O=S(=O)(c1ccc(Br)s1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000032951789 527270964 /nfs/dbraw/zinc/27/09/64/527270964.db2.gz IETJYKFXYWHIEG-UHFFFAOYSA-N 1 0 407.399 3.397 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCCN1C(=O)c1ccco1 ZINC000032907956 527528411 /nfs/dbraw/zinc/52/84/11/527528411.db2.gz BMOUWHHYJAMKMS-LJQANCHMSA-N 1 0 415.921 3.318 50 0 HGAARO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000012645565 535753607 /nfs/dbraw/zinc/75/36/07/535753607.db2.gz XQVUUKIBAVBODR-UHFFFAOYSA-N 1 0 406.530 3.137 50 0 HGAARO C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000007984775 536422109 /nfs/dbraw/zinc/42/21/09/536422109.db2.gz CSAJEXHOLIXTDG-UHFFFAOYSA-N 1 0 408.546 3.104 50 0 HGAARO COc1c(C)cc([C@@H]2CCc3nc(C(=O)NCC[NH+]4CCCCC4)cn3C2)cc1C ZINC000034899233 557480728 /nfs/dbraw/zinc/48/07/28/557480728.db2.gz UJDNOGIBFXNLKS-LJQANCHMSA-N 1 0 410.562 3.454 50 0 HGAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](C2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000034912435 557486851 /nfs/dbraw/zinc/48/68/51/557486851.db2.gz BYUGXWYVBHSXFP-UHFFFAOYSA-N 1 0 409.530 3.255 50 0 HGAARO COc1ccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022794033 557821832 /nfs/dbraw/zinc/82/18/32/557821832.db2.gz CNKLTMHYMOLFTA-HXUWFJFHSA-N 1 0 402.926 3.459 50 0 HGAARO CN(C(=O)CC[C@H]1CCCN(Cc2nc3ccccc3n2C)C1)C1CC[NH+](C)CC1 ZINC000011663658 558267262 /nfs/dbraw/zinc/26/72/62/558267262.db2.gz KMNOZNATIIRNRB-LJQANCHMSA-N 1 0 411.594 3.118 50 0 HGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2ccccc2OCCO)C1 ZINC000011817857 558281262 /nfs/dbraw/zinc/28/12/62/558281262.db2.gz QQABBQIJPJJSTC-OAQYLSRUSA-N 1 0 412.574 3.453 50 0 HGAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]CCc1cscn1 ZINC000019787214 558281606 /nfs/dbraw/zinc/28/16/06/558281606.db2.gz AXAISPAUTTUWGD-UHFFFAOYSA-N 1 0 405.527 3.395 50 0 HGAARO CCn1ccnc1C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2=O ZINC000011818939 558282059 /nfs/dbraw/zinc/28/20/59/558282059.db2.gz HAZXGSRKGXRAOD-QFIPXVFZSA-N 1 0 400.498 3.065 50 0 HGAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000011820122 558283288 /nfs/dbraw/zinc/28/32/88/558283288.db2.gz RDKCCYUWUVEIKL-JOCHJYFZSA-N 1 0 401.507 3.267 50 0 HGAARO COC1CCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)CC1 ZINC000011822001 558285104 /nfs/dbraw/zinc/28/51/04/558285104.db2.gz NUBUWCFXTKLAMU-UHFFFAOYSA-N 1 0 409.530 3.376 50 0 HGAARO O=C(NCc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011839760 558286159 /nfs/dbraw/zinc/28/61/59/558286159.db2.gz HFYFBFGQHYHYFV-SFHVURJKSA-N 1 0 403.954 3.069 50 0 HGAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CC[NH+](CCO)CC1 ZINC000019835780 558292699 /nfs/dbraw/zinc/29/26/99/558292699.db2.gz RTVJMQYSEWGFNP-UHFFFAOYSA-N 1 0 412.484 3.236 50 0 HGAARO CN(C(=O)CC[C@H]1CCCN(C(=O)Cc2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000011878315 558292767 /nfs/dbraw/zinc/29/27/67/558292767.db2.gz GXMLOFYFWYEXOJ-GOSISDBHSA-N 1 0 419.997 3.454 50 0 HGAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000011881448 558295267 /nfs/dbraw/zinc/29/52/67/558295267.db2.gz BAULIWOJTBKPNW-OAQYLSRUSA-N 1 0 423.517 3.065 50 0 HGAARO COc1cc(C[NH2+]CCN2CCOCC2)ccc1OCc1ccc(F)cc1Cl ZINC000019872258 558299655 /nfs/dbraw/zinc/29/96/55/558299655.db2.gz KPBPPCIACHDPCH-UHFFFAOYSA-N 1 0 408.901 3.489 50 0 HGAARO COCCNC(=O)c1cccc(OC2CC[NH+]([C@@H](C)COc3ccccc3)CC2)c1 ZINC000012050657 558313790 /nfs/dbraw/zinc/31/37/90/558313790.db2.gz ZNXSZVFPCBIELQ-IBGZPJMESA-N 1 0 412.530 3.374 50 0 HGAARO Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1N1CCNC1=O ZINC000012050358 558313820 /nfs/dbraw/zinc/31/38/20/558313820.db2.gz VCBRDUDKKNSQMY-JOCHJYFZSA-N 1 0 420.557 3.304 50 0 HGAARO CC1(C)C[C@H](N2C(=O)CC[C@@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)CCO1 ZINC000012052125 558314276 /nfs/dbraw/zinc/31/42/76/558314276.db2.gz SFIHXFZBAUZLMB-HZPDHXFCSA-N 1 0 408.926 3.497 50 0 HGAARO CC1(C)C[C@H](N2C(=O)CC[C@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)CCO1 ZINC000012052130 558314617 /nfs/dbraw/zinc/31/46/17/558314617.db2.gz SFIHXFZBAUZLMB-JKSUJKDBSA-N 1 0 408.926 3.497 50 0 HGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCN(C)[C@H](C)C2)c1 ZINC000012058571 558316934 /nfs/dbraw/zinc/31/69/34/558316934.db2.gz FTODJFGJQSJMCE-GOSISDBHSA-N 1 0 415.578 3.257 50 0 HGAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc3nsnc3c2)CC1)c1cccnc1 ZINC000012092089 558324525 /nfs/dbraw/zinc/32/45/25/558324525.db2.gz WRXDGVRISODZFX-UHFFFAOYSA-N 1 0 419.514 3.372 50 0 HGAARO COc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)C(C)C)O3)CC2)c(OC)c1C ZINC000012190378 558347446 /nfs/dbraw/zinc/34/74/46/558347446.db2.gz FYVMQVRIQZGDQP-LJQANCHMSA-N 1 0 404.551 3.298 50 0 HGAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)O1)c1ccco1 ZINC000012200231 558351046 /nfs/dbraw/zinc/35/10/46/558351046.db2.gz ZLOIREJYOHGBGO-LJQANCHMSA-N 1 0 421.497 3.065 50 0 HGAARO Cc1ccc(-n2cc(CN3CC[NH+](CCC(N)=O)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000020255105 558351893 /nfs/dbraw/zinc/35/18/93/558351893.db2.gz CONRJFQPTVTQNB-UHFFFAOYSA-N 1 0 417.557 3.149 50 0 HGAARO CC(C)CCn1c(CN2CCC([NH+]3CCCC3)CC2)cnc1S(=O)(=O)C(C)C ZINC000020455238 558368839 /nfs/dbraw/zinc/36/88/39/558368839.db2.gz RJUIZJUOOHLUOW-UHFFFAOYSA-N 1 0 410.628 3.172 50 0 HGAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H](O)c3cccnc3)CC2)c(OC)c1 ZINC000012300257 558370141 /nfs/dbraw/zinc/37/01/41/558370141.db2.gz XHGRWGMDONWYPZ-HSZRJFAPSA-N 1 0 408.502 3.435 50 0 HGAARO COC[C@@H]1CCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000012304236 558373608 /nfs/dbraw/zinc/37/36/08/558373608.db2.gz WSOSDGCAFGDTLU-LJQANCHMSA-N 1 0 409.530 3.234 50 0 HGAARO Cn1cc(C[NH2+]CCSc2nnnn2C)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012430796 558405517 /nfs/dbraw/zinc/40/55/17/558405517.db2.gz ZKDMCXHNVZJPPD-UHFFFAOYSA-N 1 0 421.530 3.285 50 0 HGAARO C[C@@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]CCCc2ccccc2)C[C@H](C)O1 ZINC000012432491 558406736 /nfs/dbraw/zinc/40/67/36/558406736.db2.gz BDEYBYVDWWDABU-CALCHBBNSA-N 1 0 412.559 3.368 50 0 HGAARO Cc1cc(CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)on1 ZINC000012434589 558408344 /nfs/dbraw/zinc/40/83/44/558408344.db2.gz ZQQBLUKSXIVKQM-UHFFFAOYSA-N 1 0 406.486 3.351 50 0 HGAARO Cc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)c(C)c1 ZINC000020781146 558412736 /nfs/dbraw/zinc/41/27/36/558412736.db2.gz NLFUIPXCIHJCQI-UHFFFAOYSA-N 1 0 407.493 3.022 50 0 HGAARO COC[C@@H]1CCN(C(=O)c2cccc(OC3CC[NH+](Cc4ccncc4)CC3)c2)C1 ZINC000012449083 558415886 /nfs/dbraw/zinc/41/58/86/558415886.db2.gz ZHUXBPUNCQQBTB-HXUWFJFHSA-N 1 0 409.530 3.234 50 0 HGAARO Cc1c2cccc(Cl)c2[nH]c1CN1CCN(C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000020869376 558418387 /nfs/dbraw/zinc/41/83/87/558418387.db2.gz QHPZJBWGPKSCOV-SFHVURJKSA-N 1 0 404.986 3.093 50 0 HGAARO CN(C(=O)CCN1Cc2ccccc2C1=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012596551 558437952 /nfs/dbraw/zinc/43/79/52/558437952.db2.gz PWCFBMZKSNMTAQ-JOCHJYFZSA-N 1 0 405.542 3.198 50 0 HGAARO Cc1nc(COc2ccccc2C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)no1 ZINC000021487856 558439797 /nfs/dbraw/zinc/43/97/97/558439797.db2.gz KKESZVOKUCGEGI-UHFFFAOYSA-N 1 0 421.501 3.270 50 0 HGAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+](C)C)cc1 ZINC000021807543 558450738 /nfs/dbraw/zinc/45/07/38/558450738.db2.gz RBZJLJGCAVNTJA-IBGZPJMESA-N 1 0 407.470 3.454 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(OC)c1 ZINC000022700854 558505533 /nfs/dbraw/zinc/50/55/33/558505533.db2.gz RSMZFTJNUHIIIV-QHCPKHFHSA-N 1 0 409.530 3.417 50 0 HGAARO CCn1c(C[NH2+][C@H](C)c2ccccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013039872 558506345 /nfs/dbraw/zinc/50/63/45/558506345.db2.gz KGVWLFXZNNCSKE-MRXNPFEDSA-N 1 0 400.548 3.466 50 0 HGAARO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)NCc1ccc2c(c1)OCO2 ZINC000022803071 558513484 /nfs/dbraw/zinc/51/34/84/558513484.db2.gz FFKLMNGAMWIFKF-UHFFFAOYSA-N 1 0 417.509 3.003 50 0 HGAARO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)Nc1ccc2c(c1)OCO2 ZINC000022803139 558513535 /nfs/dbraw/zinc/51/35/35/558513535.db2.gz SAZJLOSNUWZMBK-UHFFFAOYSA-N 1 0 403.482 3.325 50 0 HGAARO c1nc2sc3c(c2c(NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)n1)CCCCC3 ZINC000022956845 558528042 /nfs/dbraw/zinc/52/80/42/558528042.db2.gz SNFWNUOFFUWDSD-RDJZCZTQSA-N 1 0 402.564 3.109 50 0 HGAARO COc1cccc2ccc(CN3CC[N@H+](CCc4ccccc4)[C@@H](CCO)C3)nc21 ZINC000023373286 558553602 /nfs/dbraw/zinc/55/36/02/558553602.db2.gz WUINPJBDPAYTCV-QHCPKHFHSA-N 1 0 405.542 3.355 50 0 HGAARO CCOC(=O)[C@H]1CCCN(C2CC[NH+]([C@H]3CCC(=O)N(CCC(C)C)CC3)CC2)C1 ZINC000023505910 558560283 /nfs/dbraw/zinc/56/02/83/558560283.db2.gz UONLGUZLAWTBBK-SFTDATJTSA-N 1 0 421.626 3.153 50 0 HGAARO CC[NH+]1CCC2(CC1)OCCN2C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000013730095 558586116 /nfs/dbraw/zinc/58/61/16/558586116.db2.gz GTUGITYQUQSYPW-UHFFFAOYSA-N 1 0 420.307 3.389 50 0 HGAARO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000013941607 558604544 /nfs/dbraw/zinc/60/45/44/558604544.db2.gz JFHMWVJWVCOBJN-HFXBMHRVSA-O 1 0 414.485 3.020 50 0 HGAARO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000013941606 558604548 /nfs/dbraw/zinc/60/45/48/558604548.db2.gz JFHMWVJWVCOBJN-AYHYUOJHSA-O 1 0 414.485 3.020 50 0 HGAARO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000013941605 558604550 /nfs/dbraw/zinc/60/45/50/558604550.db2.gz JFHMWVJWVCOBJN-LIFFMEMSSA-O 1 0 414.485 3.020 50 0 HGAARO O=C(CNC(=O)c1ccc(F)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000014166951 558626704 /nfs/dbraw/zinc/62/67/04/558626704.db2.gz MILNKURSCCJKDW-UHFFFAOYSA-N 1 0 405.473 3.053 50 0 HGAARO COc1ccc([C@@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)[NH+](C)C)cc1 ZINC000014201488 558636773 /nfs/dbraw/zinc/63/67/73/558636773.db2.gz UBFIMBZCQKENJE-HSZRJFAPSA-N 1 0 406.530 3.459 50 0 HGAARO CC(C)[C@@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)[N@@H+]1CCc2ccccc2C1 ZINC000025919240 558652343 /nfs/dbraw/zinc/65/23/43/558652343.db2.gz XIQBCAATYUFTMC-HSZRJFAPSA-N 1 0 421.541 3.149 50 0 HGAARO CSC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC(C)C ZINC000014531042 558656084 /nfs/dbraw/zinc/65/60/84/558656084.db2.gz IYBDKLXRTGEQAY-QGZVFWFLSA-N 1 0 404.580 3.088 50 0 HGAARO COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+](C/C=C/c2ccco2)CC3)cc1 ZINC000014531903 558656398 /nfs/dbraw/zinc/65/63/98/558656398.db2.gz XPYFUWNZCUFORX-HWKANZROSA-N 1 0 423.513 3.273 50 0 HGAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000014539221 558659158 /nfs/dbraw/zinc/65/91/58/558659158.db2.gz XAMXRXHDESQGOL-UHFFFAOYSA-N 1 0 411.502 3.115 50 0 HGAARO CCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000022936135 558666454 /nfs/dbraw/zinc/66/64/54/558666454.db2.gz VQEFGGKFSSVXTI-UHFFFAOYSA-N 1 0 421.545 3.130 50 0 HGAARO CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCC1=CCCCC1)C2 ZINC000014749419 558670437 /nfs/dbraw/zinc/67/04/37/558670437.db2.gz KEUQOTWVPLAVCU-IBGZPJMESA-N 1 0 400.567 3.103 50 0 HGAARO CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014753486 558671545 /nfs/dbraw/zinc/67/15/45/558671545.db2.gz IHGOJGYVQSPRDI-RCZVLFRGSA-N 1 0 423.601 3.382 50 0 HGAARO C[C@@H](Oc1ccccc1)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000014883625 558676982 /nfs/dbraw/zinc/67/69/82/558676982.db2.gz PYJZJMHPBPNGNU-DENIHFKCSA-N 1 0 409.530 3.179 50 0 HGAARO COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1=O ZINC000027675852 558680260 /nfs/dbraw/zinc/68/02/60/558680260.db2.gz RJHZVYWHWABLPG-CJNGLKHVSA-N 1 0 421.950 3.182 50 0 HGAARO CC(C)c1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000014959839 558683582 /nfs/dbraw/zinc/68/35/82/558683582.db2.gz GXNWQVVOACIULY-MRXNPFEDSA-N 1 0 422.508 3.368 50 0 HGAARO CCCn1c2ccccc2n(CC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1=O ZINC000027931918 558684808 /nfs/dbraw/zinc/68/48/08/558684808.db2.gz CWPATIFJJFHBCY-UHFFFAOYSA-N 1 0 420.557 3.036 50 0 HGAARO CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@H]2CCCCC[N@@H+]2C)CC1 ZINC000014971123 558687235 /nfs/dbraw/zinc/68/72/35/558687235.db2.gz APANZZFAZYPOBH-OAQYLSRUSA-N 1 0 416.562 3.284 50 0 HGAARO CC(C)c1c(C(=O)NCC(C)(C)C[NH+](C)C)cnn1-c1nccc(-c2ccco2)n1 ZINC000014981346 558692034 /nfs/dbraw/zinc/69/20/34/558692034.db2.gz VOJOWGRTXXFYHB-UHFFFAOYSA-N 1 0 410.522 3.363 50 0 HGAARO O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014986984 558693150 /nfs/dbraw/zinc/69/31/50/558693150.db2.gz MDBZSTXKRGJWMB-DEOSSOPVSA-N 1 0 409.530 3.032 50 0 HGAARO Cc1cccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1 ZINC000028287972 558695219 /nfs/dbraw/zinc/69/52/19/558695219.db2.gz MEZSLOYFRVJPKJ-OAQYLSRUSA-N 1 0 401.938 3.132 50 0 HGAARO Cc1cc(C(=O)NCc2nnc3n2CC[N@@H+](CC[C@H](C)c2ccccc2)CC3)c(C)o1 ZINC000014996571 558696221 /nfs/dbraw/zinc/69/62/21/558696221.db2.gz YPZMMPVIDCURJA-KRWDZBQOSA-N 1 0 421.545 3.470 50 0 HGAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C(C)C ZINC000015070182 558712275 /nfs/dbraw/zinc/71/22/75/558712275.db2.gz DOOBCJRBZOCMJV-UHFFFAOYSA-N 1 0 410.522 3.460 50 0 HGAARO COc1cc(C[C@H]2CC(C[NH2+]CCc3cccs3)=NO2)c(OC)c2c1OCO2 ZINC000015085837 558720307 /nfs/dbraw/zinc/72/03/07/558720307.db2.gz OSCOFMREDIAOKV-HNNXBMFYSA-N 1 0 404.488 3.014 50 0 HGAARO Cn1cccc1C(=O)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265662 558734313 /nfs/dbraw/zinc/73/43/13/558734313.db2.gz UUWSTWHWNQTOTD-UHFFFAOYSA-N 1 0 414.513 3.340 50 0 HGAARO C[NH+](C)[C@@H](CNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1 ZINC000016229425 558780132 /nfs/dbraw/zinc/78/01/32/558780132.db2.gz RWJILXURNBFVJT-SFHVURJKSA-N 1 0 424.570 3.146 50 0 HGAARO COCCCNC(=O)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000004586063 558781476 /nfs/dbraw/zinc/78/14/76/558781476.db2.gz XJLSCCBQLWSXJU-UHFFFAOYSA-N 1 0 421.545 3.028 50 0 HGAARO CC(C)c1ccc(-n2nnnc2C2(N3CC[NH2+]CC3)C3CC4CC(C3)CC2C4)cc1 ZINC000035170758 558788694 /nfs/dbraw/zinc/78/86/94/558788694.db2.gz BBJKJMVDAGPGGW-UHFFFAOYSA-N 1 0 406.578 3.342 50 0 HGAARO O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016607366 558796590 /nfs/dbraw/zinc/79/65/90/558796590.db2.gz UFOURFNQNOFESL-UHFFFAOYSA-N 1 0 407.514 3.010 50 0 HGAARO CC(C)[C@H](NC(=O)C[NH2+]CCOc1ccccc1F)c1ccc2c(c1)OCCCO2 ZINC000016695498 558801034 /nfs/dbraw/zinc/80/10/34/558801034.db2.gz UIGPRCYQBKHNTG-QHCPKHFHSA-N 1 0 416.493 3.469 50 0 HGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032995314 558809704 /nfs/dbraw/zinc/80/97/04/558809704.db2.gz URDTWCJCPQVZPL-MRXNPFEDSA-N 1 0 415.563 3.104 50 0 HGAARO COc1ccc2c(c1)C=C(CN1CC[N@H+](CCCc3ccccc3)[C@H](CCO)C1)CO2 ZINC000039460890 558821478 /nfs/dbraw/zinc/82/14/78/558821478.db2.gz VMVGWGCBOBCOLS-XMMPIXPASA-N 1 0 422.569 3.472 50 0 HGAARO CCCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)s1 ZINC000033011193 558830523 /nfs/dbraw/zinc/83/05/23/558830523.db2.gz RDNYESDQSMVJOS-UHFFFAOYSA-N 1 0 415.563 3.349 50 0 HGAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2Cl)n1 ZINC000004594307 558832032 /nfs/dbraw/zinc/83/20/32/558832032.db2.gz SSDCVOWMGCLSRS-XLIONFOSSA-N 1 0 422.920 3.136 50 0 HGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(NC(=O)c2nnc(C)s2)c1 ZINC000033022599 558837910 /nfs/dbraw/zinc/83/79/10/558837910.db2.gz LBTDJUDERZWUQF-SFHVURJKSA-N 1 0 415.563 3.483 50 0 HGAARO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)s1 ZINC000033022769 558838012 /nfs/dbraw/zinc/83/80/12/558838012.db2.gz JRZSZYWTUMIAFS-UHFFFAOYSA-N 1 0 415.563 3.349 50 0 HGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019229305 558853491 /nfs/dbraw/zinc/85/34/91/558853491.db2.gz VKPJUOMFHQUOIV-QFIPXVFZSA-N 1 0 423.557 3.268 50 0 HGAARO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCC[NH+]3CCCCC3)C2)s1 ZINC000033078446 558867912 /nfs/dbraw/zinc/86/79/12/558867912.db2.gz PUWOSWFBMUBDGU-INIZCTEOSA-N 1 0 401.580 3.072 50 0 HGAARO CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCC[NH+]3CCCCCC3)C2)s1 ZINC000033078421 558867951 /nfs/dbraw/zinc/86/79/51/558867951.db2.gz YQLGSSCPUFOVQY-QGZVFWFLSA-N 1 0 415.607 3.462 50 0 HGAARO Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@@]21N=C(Nc2ccccc2)NC(=[NH2+])N1 ZINC000019326871 558867995 /nfs/dbraw/zinc/86/79/95/558867995.db2.gz GJBCCQHRICACIC-FATZIPQQSA-N 1 0 402.502 3.166 50 0 HGAARO O=C(CCn1cnc2ccccc21)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055052653 558870630 /nfs/dbraw/zinc/87/06/30/558870630.db2.gz YCRSLXGFIZJQTA-JOCHJYFZSA-N 1 0 417.557 3.240 50 0 HGAARO CN(C)c1cccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000055282093 558878326 /nfs/dbraw/zinc/87/83/26/558878326.db2.gz PTBXBDMHSNINRI-HSZRJFAPSA-N 1 0 410.537 3.319 50 0 HGAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000057997476 558893796 /nfs/dbraw/zinc/89/37/96/558893796.db2.gz LUOXQBIVETZRHH-IBGZPJMESA-N 1 0 423.542 3.312 50 0 HGAARO C[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)C1 ZINC000058268286 558915759 /nfs/dbraw/zinc/91/57/59/558915759.db2.gz ZWUITWIVFYVLLD-QFIPXVFZSA-N 1 0 420.557 3.369 50 0 HGAARO CCC(CC)[C@H](CNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)[NH+]1CCCC1 ZINC000058324404 558919590 /nfs/dbraw/zinc/91/95/90/558919590.db2.gz WKEBMGLWUIRJSP-NRFANRHFSA-N 1 0 416.566 3.181 50 0 HGAARO COCCC[N@@H+]1CCCN(C(=O)c2sc(Cc3ccc(F)cc3)nc2C)CC1 ZINC000058357315 558921533 /nfs/dbraw/zinc/92/15/33/558921533.db2.gz BBKOROWXVRLNPA-UHFFFAOYSA-N 1 0 405.539 3.366 50 0 HGAARO Cc1noc(C)c1CSCC(=O)N(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000058367555 558922460 /nfs/dbraw/zinc/92/24/60/558922460.db2.gz CRXXBGDCBMLDIK-UHFFFAOYSA-N 1 0 402.564 3.085 50 0 HGAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000058420991 558925784 /nfs/dbraw/zinc/92/57/84/558925784.db2.gz AJCXIVMPVNOVMF-LJQANCHMSA-N 1 0 410.537 3.400 50 0 HGAARO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000058931744 558930914 /nfs/dbraw/zinc/93/09/14/558930914.db2.gz GDCAWKHPINNOTB-UHFFFAOYSA-N 1 0 402.560 3.374 50 0 HGAARO CC[NH+]1CCN(CCNC(=O)c2sc3ncccc3c2-n2c(C)ccc2C)CC1 ZINC000033059975 558954202 /nfs/dbraw/zinc/95/42/02/558954202.db2.gz DIPWDKNDAILTMD-UHFFFAOYSA-N 1 0 411.575 3.071 50 0 HGAARO O=C(NCC[NH+]1CCCCCC1)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060342 558954693 /nfs/dbraw/zinc/95/46/93/558954693.db2.gz FZDCXTXDNHYOFI-UHFFFAOYSA-N 1 0 407.927 3.050 50 0 HGAARO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000064816945 558966259 /nfs/dbraw/zinc/96/62/59/558966259.db2.gz ALEMRKGXOMIKNI-UHFFFAOYSA-N 1 0 413.547 3.134 50 0 HGAARO CCNc1nc(N2CCN(C(=O)Nc3ccc(OC)c(Cl)c3)CC2)cc(C)[nH+]1 ZINC000067601888 558987714 /nfs/dbraw/zinc/98/77/14/558987714.db2.gz LYCKDLNHZCUTKV-UHFFFAOYSA-N 1 0 404.902 3.233 50 0 HGAARO Cc1cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)nc(N2CCCCC2)[nH+]1 ZINC000067613601 558989280 /nfs/dbraw/zinc/98/92/80/558989280.db2.gz MYOFDGNJBUMZPH-UHFFFAOYSA-N 1 0 418.545 3.148 50 0 HGAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[nH+]1 ZINC000067622387 558989879 /nfs/dbraw/zinc/98/98/79/558989879.db2.gz CDHWRDKZBXRXND-UHFFFAOYSA-N 1 0 416.476 3.408 50 0 HGAARO CC[NH+]1CCN([C@@H](c2ccncc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023086458 558999879 /nfs/dbraw/zinc/99/98/79/558999879.db2.gz ISHWIDDSYYEPAG-DEOSSOPVSA-N 1 0 418.541 3.033 50 0 HGAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000023127436 559015846 /nfs/dbraw/zinc/01/58/46/559015846.db2.gz HKVCWIIVQDVLJO-UHFFFAOYSA-N 1 0 403.885 3.446 50 0 HGAARO CCC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)c(C)c1 ZINC000023127619 559015986 /nfs/dbraw/zinc/01/59/86/559015986.db2.gz ZPSCOOROAJWFCG-UHFFFAOYSA-N 1 0 407.580 3.276 50 0 HGAARO CCOc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000023127658 559016018 /nfs/dbraw/zinc/01/60/18/559016018.db2.gz NXMQEIAORLGSKR-UHFFFAOYSA-N 1 0 406.523 3.415 50 0 HGAARO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c(F)c1 ZINC000082097416 559037487 /nfs/dbraw/zinc/03/74/87/559037487.db2.gz PNGUXZGKWLUHEG-JOCHJYFZSA-N 1 0 400.498 3.005 50 0 HGAARO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082097597 559037705 /nfs/dbraw/zinc/03/77/05/559037705.db2.gz PKCJMEKDAAZVHW-HSZRJFAPSA-N 1 0 406.574 3.383 50 0 HGAARO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000082120090 559039182 /nfs/dbraw/zinc/03/91/82/559039182.db2.gz SRYAYSGXHKBOOZ-HSZRJFAPSA-N 1 0 406.574 3.383 50 0 HGAARO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnc(-c2cccs2)[nH]c1=O ZINC000091769613 559073632 /nfs/dbraw/zinc/07/36/32/559073632.db2.gz YIHPRPMJGBZZBH-ZDUSSCGKSA-N 1 0 400.529 3.367 50 0 HGAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000095347277 559079510 /nfs/dbraw/zinc/07/95/10/559079510.db2.gz HSEROLWALFISAF-OYRHEFFESA-N 1 0 413.606 3.307 50 0 HGAARO Cc1nn(C)c(Cl)c1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000096835767 559112409 /nfs/dbraw/zinc/11/24/09/559112409.db2.gz ZKMSEOFNJJXNBW-LJQANCHMSA-N 1 0 401.986 3.477 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cn2nnc3ccccc32)cc1)Cc1ccccc1 ZINC000011603652 559113206 /nfs/dbraw/zinc/11/32/06/559113206.db2.gz RRBTVUPDKDIOOS-QFIPXVFZSA-N 1 0 413.525 3.382 50 0 HGAARO CCn1ccnc1CNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011663986 559134466 /nfs/dbraw/zinc/13/44/66/559134466.db2.gz NIWFBILJTANYPA-UHFFFAOYSA-N 1 0 419.529 3.271 50 0 HGAARO COc1cc(Br)c(CNC[C@@H]2CN(Cc3ccccc3)CCO2)cc1O ZINC000014157532 559154204 /nfs/dbraw/zinc/15/42/04/559154204.db2.gz DLQWLZYFWFVULA-QGZVFWFLSA-N 1 0 421.335 3.154 50 0 HGAARO Cc1cc(O)c([C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccccc1 ZINC000023477072 559176230 /nfs/dbraw/zinc/17/62/30/559176230.db2.gz RXMSEQUMDHUHMQ-DEOSSOPVSA-N 1 0 421.516 3.387 50 0 HGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccn2c(=O)c3c(nc12)sc1c3CCCC1 ZINC000004971770 559220887 /nfs/dbraw/zinc/22/08/87/559220887.db2.gz LGBHFEWGYZPGRO-HNNXBMFYSA-N 1 0 424.570 3.392 50 0 HGAARO C[NH+](C)CCN(C(=O)CCOc1ccccc1)c1nc2cc3c(cc2s1)OCO3 ZINC000005121450 559247988 /nfs/dbraw/zinc/24/79/88/559247988.db2.gz OAESSTRNWCVWBZ-UHFFFAOYSA-N 1 0 413.499 3.389 50 0 HGAARO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000016031699 560654804 /nfs/dbraw/zinc/65/48/04/560654804.db2.gz WTNJGYFYMAQZAK-OFAXGOBFSA-N 1 0 402.535 3.081 50 0 biogenic HGAARO Brc1cc(C[NH2+]Cc2ccccc2CN2CCOCC2)cc2c1OCO2 ZINC000017318169 560708794 /nfs/dbraw/zinc/70/87/94/560708794.db2.gz ZHELQCFLLIIQPC-UHFFFAOYSA-N 1 0 419.319 3.300 50 0 HGAARO COc1ccc(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1Br ZINC000010544044 560770403 /nfs/dbraw/zinc/77/04/03/560770403.db2.gz LTJBWQVGFSIDCC-OKILXGFUSA-N 1 0 419.385 3.104 50 0 HGAARO O=C(Cn1cnc2cc3c(cc21)OCCCO3)NCCOc1ccc(Cl)cc1 ZINC000101152526 560786986 /nfs/dbraw/zinc/78/69/86/560786986.db2.gz CTBMVKDUAVEMRA-UHFFFAOYSA-N 1 0 401.850 3.046 50 0 HGAARO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000104105026 560848277 /nfs/dbraw/zinc/84/82/77/560848277.db2.gz VYYSZMUBFPPVGD-KSZLIROESA-N 1 0 420.985 3.074 50 0 HGAARO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000106924555 560894370 /nfs/dbraw/zinc/89/43/70/560894370.db2.gz XTVBQGINVZTBSJ-GJZGRUSLSA-N 1 0 419.875 3.218 50 0 HGAARO C[NH+](C)CCNC(=O)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000046079987 568427977 /nfs/dbraw/zinc/42/79/77/568427977.db2.gz IGJHKTFUAILGKX-UHFFFAOYSA-N 1 0 414.937 3.464 50 0 HGAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3csc(-c4cccs4)n3)cn2)CC1 ZINC000048234136 568432491 /nfs/dbraw/zinc/43/24/91/568432491.db2.gz JRVNNEINCZODMO-UHFFFAOYSA-N 1 0 413.572 3.339 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccsc1 ZINC000048249081 568433354 /nfs/dbraw/zinc/43/33/54/568433354.db2.gz QQTZSUVRGRUIJQ-FXAWDEMLSA-N 1 0 417.550 3.087 50 0 HGAARO CC(C)C[NH+]1CCC(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000048325499 568438726 /nfs/dbraw/zinc/43/87/26/568438726.db2.gz XAZAEQRVINRMLJ-OAQYLSRUSA-N 1 0 407.986 3.198 50 0 HGAARO CC(=O)Nc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000048438612 568442922 /nfs/dbraw/zinc/44/29/22/568442922.db2.gz FJLLJUFGHJZDTR-HXUWFJFHSA-N 1 0 401.532 3.069 50 0 HGAARO Cc1ccc(C(=O)NC2CCN(C(=O)NCC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)o1 ZINC000051711893 568473294 /nfs/dbraw/zinc/47/32/94/568473294.db2.gz VOFCGFKUAHMWQY-IRXDYDNUSA-N 1 0 418.582 3.248 50 0 HGAARO COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000225326977 568629800 /nfs/dbraw/zinc/62/98/00/568629800.db2.gz WJPHAQKMPWMYMB-LAUBAEHRSA-N 1 0 410.514 3.303 50 0 HGAARO CC(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000020953444 568653613 /nfs/dbraw/zinc/65/36/13/568653613.db2.gz WVSHHDUMQMBONV-FQEVSTJZSA-N 1 0 407.605 3.139 50 0 HGAARO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000095941231 568661970 /nfs/dbraw/zinc/66/19/70/568661970.db2.gz SSZRIIYEEQRPCW-GXTWGEPZSA-N 1 0 405.848 3.448 50 0 HGAARO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000095941233 568661976 /nfs/dbraw/zinc/66/19/76/568661976.db2.gz SSZRIIYEEQRPCW-TZMCWYRMSA-N 1 0 405.848 3.448 50 0 HGAARO CC[NH+](CC)CCCC1CCN(Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)CC1 ZINC000096007909 568683126 /nfs/dbraw/zinc/68/31/26/568683126.db2.gz HMNWTAQSWNIGBF-UHFFFAOYSA-N 1 0 414.550 3.044 50 0 HGAARO C[C@@H]([NH2+]CCCOCc1ccco1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013614 568685451 /nfs/dbraw/zinc/68/54/51/568685451.db2.gz NOUXIHQKFFJZKE-NQIIRXRSSA-N 1 0 402.491 3.202 50 0 HGAARO CC(C)C[NH+]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C(=O)C2CCC2)CC4)CC1 ZINC000096363749 568739580 /nfs/dbraw/zinc/73/95/80/568739580.db2.gz XFJUTAYBURSOKM-UHFFFAOYSA-N 1 0 422.573 3.267 50 0 HGAARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cn(C)c2ccccc12)[NH+](C)C ZINC000021698401 568741120 /nfs/dbraw/zinc/74/11/20/568741120.db2.gz MNMVPFHCNRAGKW-HXUWFJFHSA-N 1 0 412.921 3.498 50 0 HGAARO O=C(NCC[NH+]1CCCCC1)[C@H]1CCc2sc(C(=O)N3CCCCC3)cc2C1 ZINC000096398385 568747188 /nfs/dbraw/zinc/74/71/88/568747188.db2.gz QMQAYRPHIKEUDM-KRWDZBQOSA-N 1 0 403.592 3.081 50 0 HGAARO CCC[NH+]1CCN(c2nnc(-n3cccc3CNc3cccc(OC)c3)s2)CC1 ZINC000021880796 568757137 /nfs/dbraw/zinc/75/71/37/568757137.db2.gz RIUMNEBHXMPARF-UHFFFAOYSA-N 1 0 412.563 3.482 50 0 HGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21 ZINC000021938246 568762875 /nfs/dbraw/zinc/76/28/75/568762875.db2.gz LJOSADWNJDCBPI-HSZRJFAPSA-N 1 0 418.541 3.392 50 0 HGAARO COc1ccc(Br)c(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000225563668 568774015 /nfs/dbraw/zinc/77/40/15/568774015.db2.gz QQBBVPAFQFDGET-UHFFFAOYSA-N 1 0 411.340 3.079 50 0 HGAARO COc1ccc(Br)c(C(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000225571424 568774512 /nfs/dbraw/zinc/77/45/12/568774512.db2.gz OCBWROBLAASPQZ-CQSZACIVSA-N 1 0 413.381 3.405 50 0 HGAARO COc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCc4sccc4C3)CC2)cc1F ZINC000225689998 568779063 /nfs/dbraw/zinc/77/90/63/568779063.db2.gz OAYVPCNKXVKVOC-UHFFFAOYSA-N 1 0 410.536 3.107 50 0 HGAARO CCOc1cc(/C=C/C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)ccc1OC ZINC000057054144 568823681 /nfs/dbraw/zinc/82/36/81/568823681.db2.gz WGFJHENSHGNUDY-PKNBQFBNSA-N 1 0 409.530 3.493 50 0 HGAARO CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000003290522 568873638 /nfs/dbraw/zinc/87/36/38/568873638.db2.gz JTVNYAMWDNPQQZ-AZUAARDMSA-N 1 0 403.473 3.138 50 0 HGAARO Cc1cccc(C[NH+]2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)c1 ZINC000299767176 568873923 /nfs/dbraw/zinc/87/39/23/568873923.db2.gz GXGMKYXIQQRVCS-QHCPKHFHSA-N 1 0 412.505 3.405 50 0 HGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)NCCc1ccc(OC)cc1 ZINC000263584794 568877786 /nfs/dbraw/zinc/87/77/86/568877786.db2.gz ASLISZIYQIFXFJ-RBBKRZOGSA-N 1 0 403.567 3.160 50 0 biogenic HGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCOCC1 ZINC000263585692 568878661 /nfs/dbraw/zinc/87/86/61/568878661.db2.gz LKVKNEKNKPYTAW-FCHUYYIVSA-N 1 0 417.594 3.123 50 0 biogenic HGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1csc(-n2cccc2)n1 ZINC000263585584 568878714 /nfs/dbraw/zinc/87/87/14/568878714.db2.gz KHROACZNMOLMBQ-AZUAARDMSA-N 1 0 416.591 3.216 50 0 biogenic HGAARO NC(=O)N[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccs1 ZINC000058064287 568881857 /nfs/dbraw/zinc/88/18/57/568881857.db2.gz IWKROARRAKQZHJ-SFHVURJKSA-N 1 0 400.548 3.150 50 0 HGAARO COc1cc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)ccc1OC(C)C ZINC000058115472 568887932 /nfs/dbraw/zinc/88/79/32/568887932.db2.gz SEENIZLRWGXWIU-UHFFFAOYSA-N 1 0 413.474 3.204 50 0 HGAARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)Cn2c3ccccc3c3c2CCCC3)C1 ZINC000001323234 568914891 /nfs/dbraw/zinc/91/48/91/568914891.db2.gz ROTXKTSJRVHHQL-ZCNNSNEGSA-N 1 0 417.553 3.162 50 0 biogenic HGAARO COc1cccc([C@H](CNC(=O)c2ccc3nnc(C(F)F)n3c2)[NH+]2CCCC2)c1 ZINC000083970550 568929136 /nfs/dbraw/zinc/92/91/36/568929136.db2.gz ARJMOUFHYFQGBC-KRWDZBQOSA-N 1 0 415.444 3.242 50 0 HGAARO COc1cc(CN(C)Cc2ccon2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012746949 568932929 /nfs/dbraw/zinc/93/29/29/568932929.db2.gz ZLUOLLYDJSYFDT-NRFANRHFSA-N 1 0 417.550 3.321 50 0 HGAARO CC[NH+](CC)[C@@H](CNC(=O)CCNC(=O)c1ccsc1)c1cccc(OC)c1 ZINC000012751282 568940730 /nfs/dbraw/zinc/94/07/30/568940730.db2.gz KWMUWGXWPMYYHO-IBGZPJMESA-N 1 0 403.548 3.076 50 0 HGAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000012759599 568943869 /nfs/dbraw/zinc/94/38/69/568943869.db2.gz FEGVJXFXUKABFP-UHFFFAOYSA-N 1 0 404.514 3.115 50 0 HGAARO Cc1c(O)ccc2c(C[NH+]3CCC(C(=O)NCc4ccccc4)CC3)cc(=O)oc12 ZINC000015543597 568947671 /nfs/dbraw/zinc/94/76/71/568947671.db2.gz MNFYFBAFTIEIML-UHFFFAOYSA-N 1 0 406.482 3.335 50 0 HGAARO Cc1cc2c(cc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1)[nH]c1c2C(=O)CCC1 ZINC000015733810 568983331 /nfs/dbraw/zinc/98/33/31/568983331.db2.gz FQEXCXFPSUNGFM-UHFFFAOYSA-N 1 0 417.575 3.396 50 0 HGAARO CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000035264432 569015651 /nfs/dbraw/zinc/01/56/51/569015651.db2.gz UIUZCGXANACBJT-UHFFFAOYSA-N 1 0 421.950 3.355 50 0 HGAARO Cn1c(CCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)nc2ccccc2c1=O ZINC000012914401 569022109 /nfs/dbraw/zinc/02/21/09/569022109.db2.gz WEYOTFHLMFBTEF-UHFFFAOYSA-N 1 0 410.562 3.171 50 0 HGAARO Cc1cccc(-c2cnc(N3CCC(C(=O)NCC[NH+]4CCCCC4)CC3)nc2)c1 ZINC000035455211 569037853 /nfs/dbraw/zinc/03/78/53/569037853.db2.gz LQDFUKDZPLOJSU-UHFFFAOYSA-N 1 0 407.562 3.271 50 0 HGAARO O=C(Nc1ccccc1OC(F)F)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000229849842 569040792 /nfs/dbraw/zinc/04/07/92/569040792.db2.gz RFSJONJVHKYTDY-IAGOWNOFSA-N 1 0 405.445 3.293 50 0 HGAARO COc1cc(NC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc(OC)c1OC ZINC000035598054 569045868 /nfs/dbraw/zinc/04/58/68/569045868.db2.gz LXZRXSJREJSGCY-UHFFFAOYSA-N 1 0 414.506 3.104 50 0 HGAARO Cc1nn(C)c(C)c1CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000239782606 569054549 /nfs/dbraw/zinc/05/45/49/569054549.db2.gz CPPBHCCTXOFCRT-RBUKOAKNSA-N 1 0 409.452 3.433 50 0 HGAARO O=C([C@@H](c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000240412641 569054587 /nfs/dbraw/zinc/05/45/87/569054587.db2.gz FNNGHTLITBJVNC-NZQKXSOJSA-N 1 0 408.498 3.195 50 0 HGAARO C[C@H]1CN(Cc2ccc(C(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)cc2)CCO1 ZINC000242191304 569054991 /nfs/dbraw/zinc/05/49/91/569054991.db2.gz XENKPUXFDKZHFZ-AZUAARDMSA-N 1 0 411.521 3.303 50 0 HGAARO CCOc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000006464573 569057839 /nfs/dbraw/zinc/05/78/39/569057839.db2.gz NHZZGNAMAAEEJA-FOVJLYNBSA-N 1 0 416.562 3.472 50 0 HGAARO CS(=O)(=O)Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000016507935 569058336 /nfs/dbraw/zinc/05/83/36/569058336.db2.gz FBITZCDKKWFXSD-UHFFFAOYSA-N 1 0 400.544 3.147 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 ZINC000016599003 569060447 /nfs/dbraw/zinc/06/04/47/569060447.db2.gz HIWFJRKLLVHKOM-QGZVFWFLSA-N 1 0 424.570 3.215 50 0 HGAARO COc1ccc(CC[NH2+]CC(=O)Nc2c3c(nc4ccccc42)N(C)CC3)cc1OC ZINC000002129512 569060491 /nfs/dbraw/zinc/06/04/91/569060491.db2.gz GSXIMDBYUXTGNM-UHFFFAOYSA-N 1 0 420.513 3.015 50 0 biogenic HGAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NC(C)C)C2 ZINC000035911148 569065927 /nfs/dbraw/zinc/06/59/27/569065927.db2.gz MGAJNFHGUSLJQZ-FYYLOGMGSA-N 1 0 411.521 3.222 50 0 HGAARO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)NCc1ccc(OC(F)F)cc1 ZINC000054319100 569070828 /nfs/dbraw/zinc/07/08/28/569070828.db2.gz CPRUZNXLSKYLBW-UHFFFAOYSA-N 1 0 409.521 3.492 50 0 HGAARO Cc1cc(=O)oc2cc(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000006659844 569084002 /nfs/dbraw/zinc/08/40/02/569084002.db2.gz JVASHISITAJAHB-UHFFFAOYSA-N 1 0 406.482 3.261 50 0 biogenic HGAARO Cc1nn(CC(=O)N2CCC([NH+]3CCCCC3)CC2)c(=O)c2c3ccccc3sc21 ZINC000006798944 569126114 /nfs/dbraw/zinc/12/61/14/569126114.db2.gz GQDFIVUVZPGPMC-UHFFFAOYSA-N 1 0 424.570 3.397 50 0 HGAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccc(C)o4)c(C)c32)CC1 ZINC000064957336 569134617 /nfs/dbraw/zinc/13/46/17/569134617.db2.gz SBQRBTYCGQSOJI-UHFFFAOYSA-N 1 0 413.547 3.363 50 0 HGAARO COC(=O)c1ccc(-c2ccco2)n1CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000006871281 569162001 /nfs/dbraw/zinc/16/20/01/569162001.db2.gz HLLIARHNUKVTNT-IRXDYDNUSA-N 1 0 401.507 3.019 50 0 HGAARO CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccccc1C[NH+](C)C ZINC000006882023 569168183 /nfs/dbraw/zinc/16/81/83/569168183.db2.gz CIBUWTWXHXCEIA-NRFANRHFSA-N 1 0 413.587 3.225 50 0 HGAARO O=C(NCCC[NH+]1CCCC1)c1ncoc1-c1ccccc1C(=O)N1CCCCC1 ZINC000065080020 569171415 /nfs/dbraw/zinc/17/14/15/569171415.db2.gz FNPDIXDWDDSTJK-UHFFFAOYSA-N 1 0 410.518 3.183 50 0 HGAARO CC[NH+](CC)CCNC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065081680 569172344 /nfs/dbraw/zinc/17/23/44/569172344.db2.gz FSEMFQODCXMRFM-UHFFFAOYSA-N 1 0 413.591 3.302 50 0 HGAARO O=C(NCc1cc(F)cc(F)c1)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065256382 569208432 /nfs/dbraw/zinc/20/84/32/569208432.db2.gz DGYRGFHKIWZELR-NRFANRHFSA-N 1 0 408.452 3.441 50 0 HGAARO C[NH+](C)CCNC(=O)C1CCN(c2nc3ccc(-c4cccs4)nc3s2)CC1 ZINC000065272212 569215705 /nfs/dbraw/zinc/21/57/05/569215705.db2.gz QTDLOQPDSHLRFQ-UHFFFAOYSA-N 1 0 415.588 3.314 50 0 HGAARO CC(C)(C)OC(=O)NCC1(CC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCCC1 ZINC000170596662 569241757 /nfs/dbraw/zinc/24/17/57/569241757.db2.gz QYTMJUAUHZFPRC-IBGZPJMESA-N 1 0 423.598 3.032 50 0 HGAARO [NH2+]=C1NC(SCC(=O)Nc2cccc(Cl)c2)=N[C@H](c2c[nH]c3ccccc32)N1 ZINC000013579218 569256507 /nfs/dbraw/zinc/25/65/07/569256507.db2.gz NLZRGGFTFMXGJE-QGZVFWFLSA-N 1 0 412.906 3.466 50 0 HGAARO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3csc4nc(C)cn34)CC2)cc1 ZINC000089702091 569262711 /nfs/dbraw/zinc/26/27/11/569262711.db2.gz NRSZGUDRFAERKC-UHFFFAOYSA-N 1 0 412.559 3.380 50 0 HGAARO CC(C)C(=O)N1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000089775647 569263531 /nfs/dbraw/zinc/26/35/31/569263531.db2.gz WSZFFFSGSCYSLE-VJBWXMMDSA-N 1 0 411.590 3.394 50 0 HGAARO Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+]2CCCCC2)c2ccc(F)cc2)cc1 ZINC000016839632 569264296 /nfs/dbraw/zinc/26/42/96/569264296.db2.gz FQJAXHFBNOQLSD-FQEVSTJZSA-N 1 0 406.523 3.176 50 0 HGAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000089937329 569269133 /nfs/dbraw/zinc/26/91/33/569269133.db2.gz XBHQIULKOZHLCJ-CVDCTZTESA-N 1 0 421.541 3.219 50 0 HGAARO COc1ccc(Cl)cc1C(=O)N1CCN(c2nc(N3CCCC3)cc(C)[nH+]2)CC1 ZINC000017012236 569271478 /nfs/dbraw/zinc/27/14/78/569271478.db2.gz ZGXBVQDZUJIHOI-UHFFFAOYSA-N 1 0 415.925 3.010 50 0 HGAARO COc1ccc([C@H](C[NH2+]Cc2c(C)nc3sc(C)cn23)N2CCOCC2)cc1 ZINC000237353219 569281829 /nfs/dbraw/zinc/28/18/29/569281829.db2.gz KRJXQUHROWXNCV-FQEVSTJZSA-N 1 0 400.548 3.184 50 0 HGAARO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000252457593 569286422 /nfs/dbraw/zinc/28/64/22/569286422.db2.gz VDKJESCCOWUKAG-NRFANRHFSA-N 1 0 415.559 3.273 50 0 HGAARO C[NH+]1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037375818 569287877 /nfs/dbraw/zinc/28/78/77/569287877.db2.gz VVSGGSXOHPHKPL-UHFFFAOYSA-N 1 0 421.455 3.095 50 0 HGAARO CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(Cl)c3)co2)CC1 ZINC000034677559 569292495 /nfs/dbraw/zinc/29/24/95/569292495.db2.gz WCBJXWXDBOPEML-QGZVFWFLSA-N 1 0 420.941 3.167 50 0 HGAARO Cc1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2[C@@H](C)C(=O)NCC[NH+](C)C)cc1 ZINC000037428471 569298742 /nfs/dbraw/zinc/29/87/42/569298742.db2.gz XVONOJMYXHXYOG-KZIRDTCISA-N 1 0 424.570 3.300 50 0 HGAARO CC(C)CC[C@H](C)[NH+](C[C@H](O)COCc1ccco1)C[C@H](O)COCc1ccco1 ZINC000037474975 569300802 /nfs/dbraw/zinc/30/08/02/569300802.db2.gz GMVQJAPQQYZGFA-ACRUOGEOSA-N 1 0 423.550 3.455 50 0 HGAARO C[C@@H]([NH2+]Cc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000007780423 569309633 /nfs/dbraw/zinc/30/96/33/569309633.db2.gz XYSVEYIZQRITKE-OAHLLOKOSA-N 1 0 407.561 3.040 50 0 HGAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819828 569320900 /nfs/dbraw/zinc/32/09/00/569320900.db2.gz NFYRNQOTKMGPPE-NRFANRHFSA-N 1 0 406.615 3.068 50 0 HGAARO CC[NH+](CC)CCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccccc1 ZINC000002249378 569324558 /nfs/dbraw/zinc/32/45/58/569324558.db2.gz XILCOPRXUYGLES-XLNRJJMWSA-N 1 0 418.541 3.407 50 0 HGAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000002296098 569369614 /nfs/dbraw/zinc/36/96/14/569369614.db2.gz MIJMCROWXZIUCA-LLVKDONJSA-N 1 0 408.296 3.387 50 0 HGAARO CCCc1nc2c3cc4c(nc3sc2c(=O)n1CC[NH+](C)C)CC(C)(C)OC4 ZINC000002418263 569397631 /nfs/dbraw/zinc/39/76/31/569397631.db2.gz LJFIYBOGEPNKBE-UHFFFAOYSA-N 1 0 400.548 3.372 50 0 HGAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014542140 569402813 /nfs/dbraw/zinc/40/28/13/569402813.db2.gz IQFNVMUMVPHNSL-UHFFFAOYSA-N 1 0 403.526 3.473 50 0 HGAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013068783 569408424 /nfs/dbraw/zinc/40/84/24/569408424.db2.gz RPFBVQPIVYJZTG-SFHVURJKSA-N 1 0 415.559 3.239 50 0 HGAARO C[C@H]1C[C@@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000079025247 569424722 /nfs/dbraw/zinc/42/47/22/569424722.db2.gz NORMPTKZHRTKHA-ICSRJNTNSA-N 1 0 406.530 3.101 50 0 HGAARO O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079192868 569429296 /nfs/dbraw/zinc/42/92/96/569429296.db2.gz FSFQLCYXLPWMPS-HRAATJIYSA-N 1 0 410.514 3.041 50 0 biogenic HGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21 ZINC000008596597 571088043 /nfs/dbraw/zinc/08/80/43/571088043.db2.gz QDMGUGMUXJHMBS-KRWDZBQOSA-N 1 0 402.539 3.338 50 0 HGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000008748398 571111651 /nfs/dbraw/zinc/11/16/51/571111651.db2.gz DUTGNIFFJWTTDD-QFIPXVFZSA-N 1 0 411.509 3.484 50 0 HGAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000039945130 571135108 /nfs/dbraw/zinc/13/51/08/571135108.db2.gz SXEPCONCYVSSLA-OAQYLSRUSA-N 1 0 418.578 3.416 50 0 HGAARO O=S(=O)(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000008901319 571144682 /nfs/dbraw/zinc/14/46/82/571144682.db2.gz PSJRKSMQNVCDFI-SFHVURJKSA-N 1 0 422.572 3.415 50 0 HGAARO O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000040073660 571153958 /nfs/dbraw/zinc/15/39/58/571153958.db2.gz VZYAGPDZRUHWAF-RTWAWAEBSA-N 1 0 409.530 3.014 50 0 HGAARO Cc1ccn2c(c1)ncc(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c2=O ZINC000040112324 571170488 /nfs/dbraw/zinc/17/04/88/571170488.db2.gz MFVQRYMWNOGQJY-GOSISDBHSA-N 1 0 404.514 3.165 50 0 HGAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)C1 ZINC000040112287 571170543 /nfs/dbraw/zinc/17/05/43/571170543.db2.gz WPWYFCUHQSGAIX-SIKLNZKXSA-N 1 0 407.562 3.241 50 0 HGAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccs1 ZINC000040120000 571176028 /nfs/dbraw/zinc/17/60/28/571176028.db2.gz NHVYILMJRIJWMW-IEBWSBKVSA-N 1 0 417.550 3.087 50 0 HGAARO CC[N@H+](Cc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](C)c1cccc(OC)c1 ZINC000040122946 571178815 /nfs/dbraw/zinc/17/88/15/571178815.db2.gz IGDQLVGRQXJKLH-GOSISDBHSA-N 1 0 418.559 3.299 50 0 HGAARO CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH2+]C[C@H]2C)cc1 ZINC000245326485 571225098 /nfs/dbraw/zinc/22/50/98/571225098.db2.gz FIYFSGPSPYEMRH-UZUQRXQVSA-N 1 0 424.520 3.196 50 0 HGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000009217441 571237800 /nfs/dbraw/zinc/23/78/00/571237800.db2.gz CNGGCLQFRVPLDK-FQEVSTJZSA-N 1 0 413.493 3.224 50 0 HGAARO CC(C)NC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000069817096 571245769 /nfs/dbraw/zinc/24/57/69/571245769.db2.gz DBZTVXLQVMWMEM-OAQYLSRUSA-N 1 0 400.567 3.360 50 0 HGAARO Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000069966771 571251602 /nfs/dbraw/zinc/25/16/02/571251602.db2.gz LEGLPKWTIOOWHJ-UHFFFAOYSA-N 1 0 416.529 3.201 50 0 HGAARO Cc1cccc(C[NH+]2CCC(NC(=O)CCCn3nnc(-c4ccccc4)n3)CC2)c1 ZINC000070037232 571254734 /nfs/dbraw/zinc/25/47/34/571254734.db2.gz XIDBBGSSFUFWID-UHFFFAOYSA-N 1 0 418.545 3.210 50 0 HGAARO CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2)c1=O ZINC000033298528 571316116 /nfs/dbraw/zinc/31/61/16/571316116.db2.gz AOUZSMPRGLRHEW-UHFFFAOYSA-N 1 0 418.541 3.497 50 0 HGAARO Cc1oc2c(c1C(=O)NCC1CC[NH+](Cc3ccc(C)cc3)CC1)C1=NCCN1C=N2 ZINC000100696542 571317788 /nfs/dbraw/zinc/31/77/88/571317788.db2.gz RTZIILMWUSWSGO-UHFFFAOYSA-N 1 0 419.529 3.274 50 0 HGAARO