smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC2(CC[NH2+]CC2)N1 ZINC001164391488 718809231 /nfs/dbraw/zinc/80/92/31/718809231.db2.gz UPIIJLZQEXARAF-UHFFFAOYSA-N 2 1 391.519 1.698 20 0 GDADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164714313 720117758 /nfs/dbraw/zinc/11/77/58/720117758.db2.gz BXRRSOLOUPPEDK-IBGZPJMESA-N 2 1 394.523 1.982 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822626 720300901 /nfs/dbraw/zinc/30/09/01/720300901.db2.gz NSDGHGJWEJYPJM-QZTJIDSGSA-N 2 1 382.512 1.880 20 0 GDADMP [NH3+]C1CCN(c2ccnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164735758 720410949 /nfs/dbraw/zinc/41/09/49/720410949.db2.gz YPWPPZXPYUWUIJ-RTBURBONSA-N 2 1 379.512 1.652 20 0 GDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164742091 720816623 /nfs/dbraw/zinc/81/66/23/720816623.db2.gz PTCRASUOCGQBKZ-KPFFTGBYSA-N 2 1 394.527 1.093 20 0 GDADMP C[NH+](C)Cc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164888692 721442489 /nfs/dbraw/zinc/44/24/89/721442489.db2.gz AKMXLGDSLCMLNL-RBBKRZOGSA-N 2 1 387.572 1.909 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282115 945826970 /nfs/dbraw/zinc/82/69/70/945826970.db2.gz DBCJSUWRBXCYJO-GDBMZVCRSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001571282728 945857852 /nfs/dbraw/zinc/85/78/52/945857852.db2.gz PACYXTBQAURDLG-MRXNPFEDSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001571282728 945857870 /nfs/dbraw/zinc/85/78/70/945857870.db2.gz PACYXTBQAURDLG-MRXNPFEDSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283139 945874901 /nfs/dbraw/zinc/87/49/01/945874901.db2.gz ZXYVWALKIGQLLO-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283139 945874917 /nfs/dbraw/zinc/87/49/17/945874917.db2.gz ZXYVWALKIGQLLO-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283139 945874926 /nfs/dbraw/zinc/87/49/26/945874926.db2.gz ZXYVWALKIGQLLO-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283139 945874939 /nfs/dbraw/zinc/87/49/39/945874939.db2.gz ZXYVWALKIGQLLO-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1)C12CC[NH+](CC1)C2 ZINC001571285252 945913915 /nfs/dbraw/zinc/91/39/15/945913915.db2.gz ZYVZTBRRMHSXLX-CYBMUJFWSA-N 2 1 387.513 1.105 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294127 946124752 /nfs/dbraw/zinc/12/47/52/946124752.db2.gz BGNGLWLAVNBMSQ-HIFRSBDPSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571294572 946138332 /nfs/dbraw/zinc/13/83/32/946138332.db2.gz JDOXPHIKVVATCJ-KGLIPLIRSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574704255 949380544 /nfs/dbraw/zinc/38/05/44/949380544.db2.gz BMTBYBGMUWYWQP-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574947541 949446452 /nfs/dbraw/zinc/44/64/52/949446452.db2.gz BXXGCKDGNUBEHK-AWEZNQCLSA-N 2 1 382.472 1.481 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574709258 949502224 /nfs/dbraw/zinc/50/22/24/949502224.db2.gz YUIIVVPAZGFHBB-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574956994 949594754 /nfs/dbraw/zinc/59/47/54/949594754.db2.gz PDVZPVDKCQUWLZ-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574956994 949594771 /nfs/dbraw/zinc/59/47/71/949594771.db2.gz PDVZPVDKCQUWLZ-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574956994 949594787 /nfs/dbraw/zinc/59/47/87/949594787.db2.gz PDVZPVDKCQUWLZ-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574153062 950126686 /nfs/dbraw/zinc/12/66/86/950126686.db2.gz MESNYXIHMSOQBH-AEFFLSMTSA-N 2 1 385.516 1.581 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196203 950355601 /nfs/dbraw/zinc/35/56/01/950355601.db2.gz ANJPHQMWEUQIQX-WBVHZDCISA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196401 950362570 /nfs/dbraw/zinc/36/25/70/950362570.db2.gz COFQJCOIZONVLH-NVXWUHKLSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576196687 950364307 /nfs/dbraw/zinc/36/43/07/950364307.db2.gz FWTOSLRJRFHKAD-AWEZNQCLSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576196687 950364331 /nfs/dbraw/zinc/36/43/31/950364331.db2.gz FWTOSLRJRFHKAD-AWEZNQCLSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576196687 950364349 /nfs/dbraw/zinc/36/43/49/950364349.db2.gz FWTOSLRJRFHKAD-AWEZNQCLSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576196782 950370933 /nfs/dbraw/zinc/37/09/33/950370933.db2.gz HZAGNGJDZNVCSF-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001576198001 950400436 /nfs/dbraw/zinc/40/04/36/950400436.db2.gz RBAOUVUKIFAMPY-INIZCTEOSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001576198001 950400452 /nfs/dbraw/zinc/40/04/52/950400452.db2.gz RBAOUVUKIFAMPY-INIZCTEOSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001576198001 950400469 /nfs/dbraw/zinc/40/04/69/950400469.db2.gz RBAOUVUKIFAMPY-INIZCTEOSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001576198927 950417759 /nfs/dbraw/zinc/41/77/59/950417759.db2.gz WVPPEFOHDLYNLY-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206278 950566819 /nfs/dbraw/zinc/56/68/19/950566819.db2.gz VZOKVNQTJSKCAH-AWEZNQCLSA-N 2 1 389.479 1.286 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206278 950566835 /nfs/dbraw/zinc/56/68/35/950566835.db2.gz VZOKVNQTJSKCAH-AWEZNQCLSA-N 2 1 389.479 1.286 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206278 950566857 /nfs/dbraw/zinc/56/68/57/950566857.db2.gz VZOKVNQTJSKCAH-AWEZNQCLSA-N 2 1 389.479 1.286 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCC2)C1 ZINC001576206606 950575442 /nfs/dbraw/zinc/57/54/42/950575442.db2.gz YETOROYAUBXVRC-OAHLLOKOSA-N 2 1 383.500 1.337 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576207843 950601939 /nfs/dbraw/zinc/60/19/39/950601939.db2.gz KHRPRCOPCIZBNM-IHRRRGAJSA-N 2 1 389.529 1.254 20 0 GDADMP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001574772410 950967698 /nfs/dbraw/zinc/96/76/98/950967698.db2.gz SMPOIHITXWAJKW-ZDUSSCGKSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001574772410 950967718 /nfs/dbraw/zinc/96/77/18/950967718.db2.gz SMPOIHITXWAJKW-ZDUSSCGKSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101282 951855962 /nfs/dbraw/zinc/85/59/62/951855962.db2.gz BKDMGLMNDUTBQS-UKRRQHHQSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575101186 951856176 /nfs/dbraw/zinc/85/61/76/951856176.db2.gz ATAKVRDRWZCTFH-OUCADQQQSA-N 2 1 377.518 1.205 20 0 GDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104825 951888134 /nfs/dbraw/zinc/88/81/34/951888134.db2.gz DZMXVXIOUXOYRG-CRAIPNDOSA-N 2 1 385.516 1.581 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571121138 952516530 /nfs/dbraw/zinc/51/65/30/952516530.db2.gz WXIBPFHOOZTGLV-AWEZNQCLSA-N 2 1 375.502 1.103 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169632 952776334 /nfs/dbraw/zinc/77/63/34/952776334.db2.gz IQKDTSKZOIAJBF-OAHLLOKOSA-N 2 1 380.456 1.010 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234328 953201387 /nfs/dbraw/zinc/20/13/87/953201387.db2.gz UKPUZFSMGCDLCH-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234328 953201390 /nfs/dbraw/zinc/20/13/90/953201390.db2.gz UKPUZFSMGCDLCH-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234328 953201392 /nfs/dbraw/zinc/20/13/92/953201392.db2.gz UKPUZFSMGCDLCH-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234681 953204851 /nfs/dbraw/zinc/20/48/51/953204851.db2.gz FTVZRIDXHQENAK-IRXDYDNUSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001571234880 953206060 /nfs/dbraw/zinc/20/60/60/953206060.db2.gz LLDLCLOJEHIHNQ-QGPMSJSTSA-N 2 1 383.500 1.145 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](CCO)Cc2cccc(Br)c2)C1 ZINC000414755634 531462871 /nfs/dbraw/zinc/46/28/71/531462871.db2.gz HXNLKGPHYFEIHE-OAHLLOKOSA-N 2 1 384.318 1.441 20 0 GDADMP C[C@H](C[NH3+])CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415780769 531528446 /nfs/dbraw/zinc/52/84/46/531528446.db2.gz BTVSSIDVHQSXSA-LLVKDONJSA-N 2 1 385.310 1.312 20 0 GDADMP CC[C@@H]([NH3+])CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415790991 531531876 /nfs/dbraw/zinc/53/18/76/531531876.db2.gz QDPQCOGLQUXWFB-GFCCVEGCSA-N 2 1 385.310 1.455 20 0 GDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000559913114 531612540 /nfs/dbraw/zinc/61/25/40/531612540.db2.gz DIZQQDFIUNYVDN-AWEZNQCLSA-N 2 1 385.350 1.615 20 0 GDADMP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)C2)nn1 ZINC000662573513 531689102 /nfs/dbraw/zinc/68/91/02/531689102.db2.gz GFFOEHUAUDEGPZ-WFASDCNBSA-N 2 1 393.289 1.363 20 0 GDADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662516987 531682423 /nfs/dbraw/zinc/68/24/23/531682423.db2.gz INDKMAGZFIYSTK-JTQLQIEISA-N 2 1 385.331 1.234 20 0 GDADMP CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000562757744 531777486 /nfs/dbraw/zinc/77/74/86/531777486.db2.gz HUAGSCIJBJNBNB-UHFFFAOYSA-N 2 1 399.333 1.954 20 0 GDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796298 531916026 /nfs/dbraw/zinc/91/60/26/531916026.db2.gz JFWBBPZELSLXFT-ROUUACIJSA-N 2 1 385.346 1.960 20 0 GDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796298 531916033 /nfs/dbraw/zinc/91/60/33/531916033.db2.gz JFWBBPZELSLXFT-ROUUACIJSA-N 2 1 385.346 1.960 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C)c1Br ZINC000274192255 532193413 /nfs/dbraw/zinc/19/34/13/532193413.db2.gz KVFSFNZLHBTYEU-ZDUSSCGKSA-N 2 1 386.338 1.671 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000430601935 532253429 /nfs/dbraw/zinc/25/34/29/532253429.db2.gz FJGRUADTPVIMMD-CYBMUJFWSA-N 2 1 397.317 1.565 20 0 GDADMP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000737743028 599068659 /nfs/dbraw/zinc/06/86/59/599068659.db2.gz SJISCWZAKLLMAZ-IBGZPJMESA-N 2 1 397.527 1.981 20 0 GDADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736454421 599077001 /nfs/dbraw/zinc/07/70/01/599077001.db2.gz YOERURYLZCTMKG-SFHVURJKSA-N 2 1 385.516 1.837 20 0 GDADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735856976 598521280 /nfs/dbraw/zinc/52/12/80/598521280.db2.gz NEZWYAAOSMGYMT-OAHLLOKOSA-N 2 1 395.515 1.735 20 0 GDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736859398 598618726 /nfs/dbraw/zinc/61/87/26/598618726.db2.gz GXRNBWYVKOENHJ-SFHVURJKSA-N 2 1 385.516 1.347 20 0 GDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736859398 598618727 /nfs/dbraw/zinc/61/87/27/598618727.db2.gz GXRNBWYVKOENHJ-SFHVURJKSA-N 2 1 385.516 1.347 20 0 GDADMP C[NH+](C)CC1CC[NH+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000821583384 606319040 /nfs/dbraw/zinc/31/90/40/606319040.db2.gz TUSOHPPUTSNQGD-CQSZACIVSA-N 2 1 375.502 1.307 20 0 GDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820684194 606891021 /nfs/dbraw/zinc/89/10/21/606891021.db2.gz MZIDCBPRHHOSOF-FUHIMQAGSA-N 2 1 399.543 1.391 20 0 GDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820684194 606891023 /nfs/dbraw/zinc/89/10/23/606891023.db2.gz MZIDCBPRHHOSOF-FUHIMQAGSA-N 2 1 399.543 1.391 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000822505933 607002869 /nfs/dbraw/zinc/00/28/69/607002869.db2.gz ZJOBYIBMKDCXBD-MSOLQXFVSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000822505933 607002872 /nfs/dbraw/zinc/00/28/72/607002872.db2.gz ZJOBYIBMKDCXBD-MSOLQXFVSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000822505933 607002874 /nfs/dbraw/zinc/00/28/74/607002874.db2.gz ZJOBYIBMKDCXBD-MSOLQXFVSA-N 2 1 393.499 1.807 20 0 GDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])s1 ZINC000422942333 646101903 /nfs/dbraw/zinc/10/19/03/646101903.db2.gz WNNNYTIGERPJRT-NWANDNLSSA-N 2 1 375.560 1.621 20 0 GDADMP C[C@@H](NCC(F)(F)C[NH3+])c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423342935 646123236 /nfs/dbraw/zinc/12/32/36/646123236.db2.gz ZNUGVYNUIFXQBL-CYBMUJFWSA-N 2 1 378.489 1.161 20 0 GDADMP C[NH+]1CCC([NH2+]CCCNS(=O)(=O)c2ccccc2Br)CC1 ZINC000512861428 648416537 /nfs/dbraw/zinc/41/65/37/648416537.db2.gz OYSAIVKENKBABP-UHFFFAOYSA-N 2 1 390.347 1.801 20 0 GDADMP C[NH+]1CCN([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c2cccs2)CC1 ZINC000575025640 651577272 /nfs/dbraw/zinc/57/72/72/651577272.db2.gz FVZMSOVIYNHPNK-OLZOCXBDSA-N 2 1 375.489 1.318 20 0 GDADMP C[NH+]1CCN([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c2cccs2)CC1 ZINC000575025641 651577458 /nfs/dbraw/zinc/57/74/58/651577458.db2.gz FVZMSOVIYNHPNK-QWHCGFSZSA-N 2 1 375.489 1.318 20 0 GDADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000631910031 653267059 /nfs/dbraw/zinc/26/70/59/653267059.db2.gz VFHLGUDQPNKITN-YOEHRIQHSA-N 2 1 387.933 1.385 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCOc3cc(Br)ccc3C2)C1 ZINC000663504493 654339438 /nfs/dbraw/zinc/33/94/38/654339438.db2.gz YYEDOAVCSVXIJN-ZDUSSCGKSA-N 2 1 382.302 1.841 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCOc3cc(Br)ccc3C2)C1 ZINC000663504493 654339443 /nfs/dbraw/zinc/33/94/43/654339443.db2.gz YYEDOAVCSVXIJN-ZDUSSCGKSA-N 2 1 382.302 1.841 20 0 GDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)c1cccc(Br)c1 ZINC000848987261 655517055 /nfs/dbraw/zinc/51/70/55/655517055.db2.gz VWBPLDIYTCZCPN-HNNXBMFYSA-N 2 1 385.306 1.319 20 0 GDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)c1ccccc1Br ZINC000849115888 655517474 /nfs/dbraw/zinc/51/74/74/655517474.db2.gz DPHBDPUZUGNUTC-OAHLLOKOSA-N 2 1 385.306 1.319 20 0 GDADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CCCO1 ZINC000923379011 656547384 /nfs/dbraw/zinc/54/73/84/656547384.db2.gz MWIWPJZBJHRSDQ-CHWSQXEVSA-N 2 1 393.709 1.892 20 0 GDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CCCO1 ZINC000923379011 656547388 /nfs/dbraw/zinc/54/73/88/656547388.db2.gz MWIWPJZBJHRSDQ-CHWSQXEVSA-N 2 1 393.709 1.892 20 0 GDADMP COCC[N@@H+](C[C@@H](O)c1cc(Br)no1)CC1CC[NH+](C)CC1 ZINC000879127530 656776650 /nfs/dbraw/zinc/77/66/50/656776650.db2.gz YBCSVVLOWUMCKP-CYBMUJFWSA-N 2 1 376.295 1.761 20 0 GDADMP O=C(Nc1cscc1Cl)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000927832847 656842962 /nfs/dbraw/zinc/84/29/62/656842962.db2.gz OMSUKWWPCWRRFP-BETUJISGSA-N 2 1 382.917 1.767 20 0 GDADMP O=C(Nc1cscc1Cl)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000927832847 656842975 /nfs/dbraw/zinc/84/29/75/656842975.db2.gz OMSUKWWPCWRRFP-BETUJISGSA-N 2 1 382.917 1.767 20 0 GDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)c3cccc(Br)c3)nn2)CC1 ZINC000881408217 656934176 /nfs/dbraw/zinc/93/41/76/656934176.db2.gz VMPVQOQRJGGMJQ-QGZVFWFLSA-N 2 1 394.317 1.740 20 0 GDADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)C1 ZINC000903431400 659315477 /nfs/dbraw/zinc/31/54/77/659315477.db2.gz MPJVJIDFVYUDBW-NWDGAFQWSA-N 2 1 377.432 1.538 20 0 GDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cncc(N3CC[NH2+]CC3)n1)[C@H]2C ZINC001164863178 720967865 /nfs/dbraw/zinc/96/78/65/720967865.db2.gz YNYHFNNAZRWFFK-INIZCTEOSA-N 2 1 384.532 1.504 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)C[C@H]3C2)cn1 ZINC001164766807 721173998 /nfs/dbraw/zinc/17/39/98/721173998.db2.gz JGTYHWHUCFVAIB-RBUKOAKNSA-N 2 1 382.512 1.610 20 0 GDADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@H+]3C2)c1 ZINC001164899162 721510395 /nfs/dbraw/zinc/51/03/95/721510395.db2.gz KPIYWRIOWOAXGZ-AEFFLSMTSA-N 2 1 383.471 1.646 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)CC[N@H+]1C ZINC001571281842 945815511 /nfs/dbraw/zinc/81/55/11/945815511.db2.gz OWYKRJJLPZUHSH-UHOFOFEASA-N 2 1 387.463 1.037 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)CC[NH+]1C ZINC001571281842 945815544 /nfs/dbraw/zinc/81/55/44/945815544.db2.gz OWYKRJJLPZUHSH-UHOFOFEASA-N 2 1 387.463 1.037 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)CC[NH+]1C ZINC001571281842 945815551 /nfs/dbraw/zinc/81/55/51/945815551.db2.gz OWYKRJJLPZUHSH-UHOFOFEASA-N 2 1 387.463 1.037 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571282556 945850362 /nfs/dbraw/zinc/85/03/62/945850362.db2.gz KFGCMLBUMXMRAN-SUMWQHHRSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C(C)(C)C2)C1 ZINC001571294347 946132556 /nfs/dbraw/zinc/13/25/56/946132556.db2.gz GKWUNBKUGWBUSN-WFASDCNBSA-N 2 1 389.529 1.207 20 0 GDADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266095 949469224 /nfs/dbraw/zinc/46/92/24/949469224.db2.gz XDPIEXBBJFBWMC-KSSFIOAISA-N 2 1 383.500 1.288 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574707880 949480330 /nfs/dbraw/zinc/48/03/30/949480330.db2.gz RKFWCVPINSEPQW-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574962898 949742844 /nfs/dbraw/zinc/74/28/44/949742844.db2.gz DPURZWBKXOCXOD-YDHLFZDLSA-N 2 1 389.479 1.330 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574733337 950110032 /nfs/dbraw/zinc/11/00/32/950110032.db2.gz ZEXNPRZYQSCXPW-YRGRVCCFSA-N 2 1 377.518 1.205 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576193004 950280474 /nfs/dbraw/zinc/28/04/74/950280474.db2.gz QQQADSQRWOPNJY-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196977 950379717 /nfs/dbraw/zinc/37/97/17/950379717.db2.gz KWIIQFQBDIZIHT-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576202587 950431413 /nfs/dbraw/zinc/43/14/13/950431413.db2.gz BNZTZQAKTHAIHG-STQMWFEESA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576202587 950431433 /nfs/dbraw/zinc/43/14/33/950431433.db2.gz BNZTZQAKTHAIHG-STQMWFEESA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576202587 950431451 /nfs/dbraw/zinc/43/14/51/950431451.db2.gz BNZTZQAKTHAIHG-STQMWFEESA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203737 950451654 /nfs/dbraw/zinc/45/16/54/950451654.db2.gz IXHHLXVHYRQTNF-NVXWUHKLSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203737 950451666 /nfs/dbraw/zinc/45/16/66/950451666.db2.gz IXHHLXVHYRQTNF-NVXWUHKLSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203737 950451679 /nfs/dbraw/zinc/45/16/79/950451679.db2.gz IXHHLXVHYRQTNF-NVXWUHKLSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204818 950479021 /nfs/dbraw/zinc/47/90/21/950479021.db2.gz CTOLIFRAPZEBAB-CHWSQXEVSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204818 950479028 /nfs/dbraw/zinc/47/90/28/950479028.db2.gz CTOLIFRAPZEBAB-CHWSQXEVSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204818 950479043 /nfs/dbraw/zinc/47/90/43/950479043.db2.gz CTOLIFRAPZEBAB-CHWSQXEVSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576204833 950480215 /nfs/dbraw/zinc/48/02/15/950480215.db2.gz RMJXIHWSWFTJLH-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576204833 950480230 /nfs/dbraw/zinc/48/02/30/950480230.db2.gz RMJXIHWSWFTJLH-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576204833 950480244 /nfs/dbraw/zinc/48/02/44/950480244.db2.gz RMJXIHWSWFTJLH-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204865 950484548 /nfs/dbraw/zinc/48/45/48/950484548.db2.gz RTFIEKDQVDXDFR-MXWWQKGMSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)C1 ZINC001576205599 950527397 /nfs/dbraw/zinc/52/73/97/950527397.db2.gz KIIWGLCGSUOCJN-ZDUSSCGKSA-N 2 1 387.463 1.086 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001576213447 950625500 /nfs/dbraw/zinc/62/55/00/950625500.db2.gz AFVMGOCETSLCIF-VBNZEHGJSA-N 2 1 387.463 1.084 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576214081 950658967 /nfs/dbraw/zinc/65/89/67/950658967.db2.gz MOSVVBRRFNWQHX-AEGPPILISA-N 2 1 387.463 1.084 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574521805 950785097 /nfs/dbraw/zinc/78/50/97/950785097.db2.gz HYBJSFOIBSFXQF-KGLIPLIRSA-N 2 1 391.495 1.719 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574523974 950848134 /nfs/dbraw/zinc/84/81/34/950848134.db2.gz SQXHYCYOEHGFLT-UONOGXRCSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001574771824 950941282 /nfs/dbraw/zinc/94/12/82/950941282.db2.gz KWGIGUFJQFPHCZ-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574771824 950941298 /nfs/dbraw/zinc/94/12/98/950941298.db2.gz KWGIGUFJQFPHCZ-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574771824 950941317 /nfs/dbraw/zinc/94/13/17/950941317.db2.gz KWGIGUFJQFPHCZ-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001574774520 951003053 /nfs/dbraw/zinc/00/30/53/951003053.db2.gz CTXZJYLZPGQOKM-MRXNPFEDSA-N 2 1 385.516 1.679 20 0 GDADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077338 951666087 /nfs/dbraw/zinc/66/60/87/951666087.db2.gz FXHVBHRLCXKQFJ-UONOGXRCSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575077823 951674571 /nfs/dbraw/zinc/67/45/71/951674571.db2.gz ICVAHIISBNMWCA-WBMJQRKESA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575079915 951699203 /nfs/dbraw/zinc/69/92/03/951699203.db2.gz SUZMMAJEXCWQMF-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001571234839 953206178 /nfs/dbraw/zinc/20/61/78/953206178.db2.gz KCXDEGDSEGSHMP-ROUUACIJSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001571234839 953206181 /nfs/dbraw/zinc/20/61/81/953206181.db2.gz KCXDEGDSEGSHMP-ROUUACIJSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001571234839 953206183 /nfs/dbraw/zinc/20/61/83/953206183.db2.gz KCXDEGDSEGSHMP-ROUUACIJSA-N 2 1 383.500 1.384 20 0 GDADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262562948 531124384 /nfs/dbraw/zinc/12/43/84/531124384.db2.gz WZMIHTGTNYKWSR-JKSUJKDBSA-N 2 1 382.302 1.253 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1Br ZINC000415309842 531473578 /nfs/dbraw/zinc/47/35/78/531473578.db2.gz NQHNOLWBRQFHQL-UHFFFAOYSA-N 2 1 397.317 1.647 20 0 GDADMP Cc1nn(C)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1Br ZINC000414977726 531464433 /nfs/dbraw/zinc/46/44/33/531464433.db2.gz RPGBECOCROQVMT-NSHDSACASA-N 2 1 384.244 1.417 20 0 GDADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000415366548 531479892 /nfs/dbraw/zinc/47/98/92/531479892.db2.gz WJQYWUJYMLEWCB-CQSZACIVSA-N 2 1 397.317 1.660 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1Br ZINC000415696043 531515573 /nfs/dbraw/zinc/51/55/73/531515573.db2.gz UADAWYYLQPLOKS-KRWDZBQOSA-N 2 1 397.317 1.647 20 0 GDADMP C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415779379 531528693 /nfs/dbraw/zinc/52/86/93/531528693.db2.gz JGXZLDPVAWSNJX-NSHDSACASA-N 2 1 385.306 1.693 20 0 GDADMP CN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662382959 531676091 /nfs/dbraw/zinc/67/60/91/531676091.db2.gz GCIPKXGFUMMBNZ-INIZCTEOSA-N 2 1 383.334 1.593 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1n[nH]cc1Br ZINC000664175577 531720501 /nfs/dbraw/zinc/72/05/01/531720501.db2.gz ANKJEVVUZCYGHY-NSHDSACASA-N 2 1 375.315 1.243 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1n[nH]cc1Br ZINC000664175577 531720511 /nfs/dbraw/zinc/72/05/11/531720511.db2.gz ANKJEVVUZCYGHY-NSHDSACASA-N 2 1 375.315 1.243 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000367268530 531825823 /nfs/dbraw/zinc/82/58/23/531825823.db2.gz WJDCRKDLGFFSLY-UHFFFAOYSA-N 2 1 384.322 1.447 20 0 GDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595949548 531895902 /nfs/dbraw/zinc/89/59/02/531895902.db2.gz WPOJVKJWNUBRBP-SFYZADRCSA-N 2 1 391.278 1.765 20 0 GDADMP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1sc2c(c1I)C[NH2+]C2 ZINC000595949487 531895914 /nfs/dbraw/zinc/89/59/14/531895914.db2.gz DYBWYYKPSBTSQR-BQBZGAKWSA-N 2 1 395.241 1.386 20 0 GDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000625892299 531917296 /nfs/dbraw/zinc/91/72/96/531917296.db2.gz IQAUPIHHSWJCKH-WCQYABFASA-N 2 1 397.321 1.468 20 0 GDADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430624487 532252996 /nfs/dbraw/zinc/25/29/96/532252996.db2.gz ISVNFWWVPURTOS-STQMWFEESA-N 2 1 397.317 1.563 20 0 GDADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccc(Cl)s1 ZINC000430622427 532253694 /nfs/dbraw/zinc/25/36/94/532253694.db2.gz FYILLFVSFQCQDG-CYBMUJFWSA-N 2 1 384.933 1.162 20 0 GDADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccc(Cl)s1 ZINC000430622427 532253701 /nfs/dbraw/zinc/25/37/01/532253701.db2.gz FYILLFVSFQCQDG-CYBMUJFWSA-N 2 1 384.933 1.162 20 0 GDADMP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)CC(C)C ZINC000736534101 598521716 /nfs/dbraw/zinc/52/17/16/598521716.db2.gz LWRBBQYWICCGNW-CABCVRRESA-N 2 1 375.525 1.451 20 0 GDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736569556 598540211 /nfs/dbraw/zinc/54/02/11/598540211.db2.gz JPLJYQBVBOAXEN-UHFFFAOYSA-N 2 1 397.527 1.633 20 0 GDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000568108838 650937778 /nfs/dbraw/zinc/93/77/78/650937778.db2.gz OVLXCLBFRGQHEE-ZIAGYGMSSA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000568108838 650937781 /nfs/dbraw/zinc/93/77/81/650937781.db2.gz OVLXCLBFRGQHEE-ZIAGYGMSSA-N 2 1 381.274 1.022 20 0 GDADMP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351626 645941439 /nfs/dbraw/zinc/94/14/39/645941439.db2.gz XRDHVUWCYPAAGX-CJNGLKHVSA-N 2 1 381.318 1.756 20 0 GDADMP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351626 645941442 /nfs/dbraw/zinc/94/14/42/645941442.db2.gz XRDHVUWCYPAAGX-CJNGLKHVSA-N 2 1 381.318 1.756 20 0 GDADMP C[NH+]1CCC(NC(=S)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000920308247 660270103 /nfs/dbraw/zinc/27/01/03/660270103.db2.gz ZTPHDNYMVNHKNF-INIZCTEOSA-N 2 1 381.615 1.595 20 0 GDADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000515434912 648496162 /nfs/dbraw/zinc/49/61/62/648496162.db2.gz QDUIAXRNFDCYLP-AAEUAGOBSA-N 2 1 399.264 1.161 20 0 GDADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000515434912 648496166 /nfs/dbraw/zinc/49/61/66/648496166.db2.gz QDUIAXRNFDCYLP-AAEUAGOBSA-N 2 1 399.264 1.161 20 0 GDADMP C[N@H+](C[C@@H](O)C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C1CC1 ZINC000578619269 651800668 /nfs/dbraw/zinc/80/06/68/651800668.db2.gz INKVKGXDBPTKMI-AWEZNQCLSA-N 2 1 375.922 1.053 20 0 GDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C1CC1 ZINC000578619269 651800673 /nfs/dbraw/zinc/80/06/73/651800673.db2.gz INKVKGXDBPTKMI-AWEZNQCLSA-N 2 1 375.922 1.053 20 0 GDADMP O=C(NC[C@H]1CCC[NH2+]1)c1sc2c(c1I)C[NH2+]C2 ZINC000595924602 652427226 /nfs/dbraw/zinc/42/72/26/652427226.db2.gz NQOGIEOHCPZNQR-SSDOTTSWSA-N 2 1 377.251 1.438 20 0 GDADMP COc1cc(C[N@@H+](C)CCOCC[NH3+])cc(I)c1OC ZINC000600770842 652553210 /nfs/dbraw/zinc/55/32/10/652553210.db2.gz CKWHJXOLXVXUII-UHFFFAOYSA-N 2 1 394.253 1.716 20 0 GDADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000631910166 653267640 /nfs/dbraw/zinc/26/76/40/653267640.db2.gz YCTKCXXKRCFIBE-KRWDZBQOSA-N 2 1 387.933 1.212 20 0 GDADMP CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000631977247 653283868 /nfs/dbraw/zinc/28/38/68/653283868.db2.gz NDGOWPHGYABJNO-ZWKOTPCHSA-N 2 1 375.579 1.529 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644563547 653599312 /nfs/dbraw/zinc/59/93/12/653599312.db2.gz WCFKTKXOHIYLEM-CYBMUJFWSA-N 2 1 390.311 1.487 20 0 GDADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c(Br)c1 ZINC000647835001 653635644 /nfs/dbraw/zinc/63/56/44/653635644.db2.gz IOJREKXHRURZEW-CQSZACIVSA-N 2 1 383.334 1.922 20 0 GDADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c(Br)c1 ZINC000647835001 653635647 /nfs/dbraw/zinc/63/56/47/653635647.db2.gz IOJREKXHRURZEW-CQSZACIVSA-N 2 1 383.334 1.922 20 0 GDADMP C[NH+](C)C1CCN(CCNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662748232 654300950 /nfs/dbraw/zinc/30/09/50/654300950.db2.gz NCQOWTNVUSCGOL-MRXNPFEDSA-N 2 1 383.334 1.591 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000664730981 654390341 /nfs/dbraw/zinc/39/03/41/654390341.db2.gz RTYIUYFYBKRWLF-ZDUSSCGKSA-N 2 1 390.575 1.223 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000664730981 654390348 /nfs/dbraw/zinc/39/03/48/654390348.db2.gz RTYIUYFYBKRWLF-ZDUSSCGKSA-N 2 1 390.575 1.223 20 0 GDADMP C[C@@H]([NH3+])CN(C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000859693584 655788837 /nfs/dbraw/zinc/78/88/37/655788837.db2.gz FHAYHSHXBXIHCJ-LLVKDONJSA-N 2 1 385.310 1.407 20 0 GDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)c3ccc(Br)cc3)nn2)CC1 ZINC000871620383 656274875 /nfs/dbraw/zinc/27/48/75/656274875.db2.gz ZXKACAOKHQPBLH-KRWDZBQOSA-N 2 1 394.317 1.740 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000923281390 656542367 /nfs/dbraw/zinc/54/23/67/656542367.db2.gz NAQGZURIYAMFEX-GXTWGEPZSA-N 2 1 390.311 1.520 20 0 GDADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000926136792 656738074 /nfs/dbraw/zinc/73/80/74/656738074.db2.gz MXHHTCDJQBDHSZ-BXUZGUMPSA-N 2 1 397.321 1.325 20 0 GDADMP COCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000884232257 657338547 /nfs/dbraw/zinc/33/85/47/657338547.db2.gz MJIJBJZTEHZDAP-MRXNPFEDSA-N 2 1 384.318 1.894 20 0 GDADMP Cn1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Br)n1 ZINC000888379180 657894337 /nfs/dbraw/zinc/89/43/37/657894337.db2.gz MOZIHGYTOBYGFG-UHFFFAOYSA-N 2 1 379.262 1.582 20 0 GDADMP [NH3+]C[C@H]1CN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@@H]1C(F)(F)F ZINC000891411679 658236541 /nfs/dbraw/zinc/23/65/41/658236541.db2.gz ONRFSVSUGHCABA-STQMWFEESA-N 2 1 376.448 1.885 20 0 GDADMP [NH3+]C[C@H]1CN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@@H]1C(F)(F)F ZINC000891411679 658236552 /nfs/dbraw/zinc/23/65/52/658236552.db2.gz ONRFSVSUGHCABA-STQMWFEESA-N 2 1 376.448 1.885 20 0 GDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905065746 659420188 /nfs/dbraw/zinc/42/01/88/659420188.db2.gz KUZXWOGHLCQBSB-HOTGVXAUSA-N 2 1 375.579 1.309 20 0 GDADMP Nc1nc(Br)ccc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000905817784 659485015 /nfs/dbraw/zinc/48/50/15/659485015.db2.gz UFUXWJMLQZNHHV-UHFFFAOYSA-N 2 1 380.294 1.032 20 0 GDADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1I ZINC000911882254 660020195 /nfs/dbraw/zinc/02/01/95/660020195.db2.gz UPBPINGAWOMART-GWCFXTLKSA-N 2 1 375.254 1.925 20 0 GDADMP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]ccc4c3NC(=O)CO4)CC2)CC1 ZINC001164616988 719027534 /nfs/dbraw/zinc/02/75/34/719027534.db2.gz HCKTZFDGZBQAQD-UHFFFAOYSA-N 2 1 388.468 1.656 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)ccc2S(N)(=O)=O)c2c1CC[NH2+]C2 ZINC001164679430 719647670 /nfs/dbraw/zinc/64/76/70/719647670.db2.gz AJRLNGHFOWLNKG-UHFFFAOYSA-N 2 1 398.920 1.054 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)ccc2S(N)(=O)=O)c2c1CC[NH2+]C2 ZINC001164679430 719647680 /nfs/dbraw/zinc/64/76/80/719647680.db2.gz AJRLNGHFOWLNKG-UHFFFAOYSA-N 2 1 398.920 1.054 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCCC4)[nH+]c(C)n3)CC[C@@H]2C1 ZINC001164854274 720836765 /nfs/dbraw/zinc/83/67/65/720836765.db2.gz QYMFQYRHEQLZGB-MSOLQXFVSA-N 2 1 375.517 1.559 20 0 GDADMP COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCCC4)nc(C)[nH+]3)CC[C@@H]2C1 ZINC001164854274 720836766 /nfs/dbraw/zinc/83/67/66/720836766.db2.gz QYMFQYRHEQLZGB-MSOLQXFVSA-N 2 1 375.517 1.559 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCCC4)nc(C)[nH+]3)CC[C@@H]2C1 ZINC001164854274 720836769 /nfs/dbraw/zinc/83/67/69/720836769.db2.gz QYMFQYRHEQLZGB-MSOLQXFVSA-N 2 1 375.517 1.559 20 0 GDADMP Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C[NH3+])c1 ZINC001164743589 720841035 /nfs/dbraw/zinc/84/10/35/720841035.db2.gz JNYNFXCSYGTZAF-SLFFLAALSA-N 2 1 381.528 1.820 20 0 GDADMP c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164864921 721123149 /nfs/dbraw/zinc/12/31/49/721123149.db2.gz HLYGWNTXQOBEOA-SFTDATJTSA-N 2 1 394.523 1.366 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)C[C@H]3C2)cn1 ZINC001164763335 721171299 /nfs/dbraw/zinc/17/12/99/721171299.db2.gz FLLBUCLKFUEMJS-RBUKOAKNSA-N 2 1 381.528 1.635 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2CC[NH2+]C3)[C@@H]2CCCO[C@H]12 ZINC001164811201 721539161 /nfs/dbraw/zinc/53/91/61/721539161.db2.gz ZLLSIEXQBWUFST-AQNXPRMDSA-N 2 1 380.496 1.386 20 0 GDADMP c1cc(C[N@H+]2CCOCC3(CCN(c4ncc5c(n4)C[NH2+]C5)CC3)C2)ccn1 ZINC001164964310 722055543 /nfs/dbraw/zinc/05/55/43/722055543.db2.gz UPWSYZYYQKJPMQ-UHFFFAOYSA-N 2 1 380.496 1.594 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc5c(n4)CC[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164980824 722103712 /nfs/dbraw/zinc/10/37/12/722103712.db2.gz KNEBZSMBGHNOEP-CTNGQTDRSA-N 2 1 379.508 1.850 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[C@H]3C2)c1 ZINC001164985761 722106751 /nfs/dbraw/zinc/10/67/51/722106751.db2.gz WMIPRRIPBOQMAV-PXNSSMCTSA-N 2 1 380.496 1.245 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571281910 945821339 /nfs/dbraw/zinc/82/13/39/945821339.db2.gz BQTIZHFFBNOWPC-MWHAMWOXSA-N 2 1 387.463 1.084 20 0 GDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824974729 947013975 /nfs/dbraw/zinc/01/39/75/947013975.db2.gz DZBMSMXRUSTAFF-QRWLVFNGSA-N 2 1 381.528 1.903 20 0 GDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824974729 947013986 /nfs/dbraw/zinc/01/39/86/947013986.db2.gz DZBMSMXRUSTAFF-QRWLVFNGSA-N 2 1 381.528 1.903 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574926789 949021806 /nfs/dbraw/zinc/02/18/06/949021806.db2.gz XMWSICPONPEPGP-ZDUSSCGKSA-N 2 1 391.495 1.578 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574706827 949461804 /nfs/dbraw/zinc/46/18/04/949461804.db2.gz MYFBZTYYDXHNGV-LRDDRELGSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575268974 949538406 /nfs/dbraw/zinc/53/84/06/949538406.db2.gz QLPMFOAFUJWGJT-GDBMZVCRSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576191108 950183624 /nfs/dbraw/zinc/18/36/24/950183624.db2.gz DOADOXNTUSIOPC-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575906042 950305121 /nfs/dbraw/zinc/30/51/21/950305121.db2.gz GHKVJBGNZWOVMW-KDOFPFPSSA-N 2 1 383.500 1.430 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001576205195 950502168 /nfs/dbraw/zinc/50/21/68/950502168.db2.gz GZDNTIBYBLWVBJ-CYBMUJFWSA-N 2 1 387.463 1.086 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576205545 950524783 /nfs/dbraw/zinc/52/47/83/950524783.db2.gz ZYWIRSIRTWATQB-KSSFIOAISA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576207799 950599246 /nfs/dbraw/zinc/59/92/46/950599246.db2.gz JLRQTVFDKMCIIT-HNNXBMFYSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576207799 950599265 /nfs/dbraw/zinc/59/92/65/950599265.db2.gz JLRQTVFDKMCIIT-HNNXBMFYSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576207799 950599284 /nfs/dbraw/zinc/59/92/84/950599284.db2.gz JLRQTVFDKMCIIT-HNNXBMFYSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574521252 950770903 /nfs/dbraw/zinc/77/09/03/950770903.db2.gz DOAOKDYAVNLZSV-GJZGRUSLSA-N 2 1 385.516 1.724 20 0 GDADMP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574523473 950820515 /nfs/dbraw/zinc/82/05/15/950820515.db2.gz NWGUFBWTYFTSAC-STQMWFEESA-N 2 1 391.545 1.785 20 0 GDADMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001574771908 950946641 /nfs/dbraw/zinc/94/66/41/950946641.db2.gz MRNCCACTTYCEMA-DYVFJYSZSA-N 2 1 391.495 1.529 20 0 GDADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079908 951699066 /nfs/dbraw/zinc/69/90/66/951699066.db2.gz STYUODKUDNBUCR-KBPBESRZSA-N 2 1 389.479 1.190 20 0 GDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092263 951793367 /nfs/dbraw/zinc/79/33/67/951793367.db2.gz BOJSNLAUAKDXTH-YJBOKZPZSA-N 2 1 385.516 1.676 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098403 951821405 /nfs/dbraw/zinc/82/14/05/951821405.db2.gz CKYHHMWMYRAZBQ-GXTWGEPZSA-N 2 1 377.518 1.254 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001571169711 952777122 /nfs/dbraw/zinc/77/71/22/952777122.db2.gz KYUFARUWESFUSW-CXAGYDPISA-N 2 1 380.456 1.008 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001571169711 952777125 /nfs/dbraw/zinc/77/71/25/952777125.db2.gz KYUFARUWESFUSW-CXAGYDPISA-N 2 1 380.456 1.008 20 0 GDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172556 952808614 /nfs/dbraw/zinc/80/86/14/952808614.db2.gz XBVIRPFTLKMMFK-MRXNPFEDSA-N 2 1 380.456 1.105 20 0 GDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172556 952808618 /nfs/dbraw/zinc/80/86/18/952808618.db2.gz XBVIRPFTLKMMFK-MRXNPFEDSA-N 2 1 380.456 1.105 20 0 GDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@H+]1C ZINC001571234321 953200485 /nfs/dbraw/zinc/20/04/85/953200485.db2.gz UINAYOJGLBDXGX-OKZBNKHCSA-N 2 1 383.500 1.288 20 0 GDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[NH+]1C ZINC001571234321 953200489 /nfs/dbraw/zinc/20/04/89/953200489.db2.gz UINAYOJGLBDXGX-OKZBNKHCSA-N 2 1 383.500 1.288 20 0 GDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[NH+]1C ZINC001571234321 953200492 /nfs/dbraw/zinc/20/04/92/953200492.db2.gz UINAYOJGLBDXGX-OKZBNKHCSA-N 2 1 383.500 1.288 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571234852 953205892 /nfs/dbraw/zinc/20/58/92/953205892.db2.gz KPCRUHUSOQQBEV-GOSISDBHSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001571234949 953206972 /nfs/dbraw/zinc/20/69/72/953206972.db2.gz NOHKEYJATPAKDA-XDKFSHSGSA-N 2 1 383.500 1.334 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571235103 953208462 /nfs/dbraw/zinc/20/84/62/953208462.db2.gz SZARZKOPXNCDQR-WMZOPIPTSA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571235103 953208466 /nfs/dbraw/zinc/20/84/66/953208466.db2.gz SZARZKOPXNCDQR-WMZOPIPTSA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571235103 953208469 /nfs/dbraw/zinc/20/84/69/953208469.db2.gz SZARZKOPXNCDQR-WMZOPIPTSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571235197 953209028 /nfs/dbraw/zinc/20/90/28/953209028.db2.gz WPSRQXCRNPNKIY-FUHWJXTLSA-N 2 1 383.500 1.432 20 0 GDADMP CC(C)(C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571250682 953311918 /nfs/dbraw/zinc/31/19/18/953311918.db2.gz SETBNWZZROPUTK-AWEZNQCLSA-N 2 1 384.488 1.221 20 0 GDADMP CN(CCN(C)C1CC[NH+](C)CC1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000246207525 531065268 /nfs/dbraw/zinc/06/52/68/531065268.db2.gz YJMZIIHXAUZZPP-QGZVFWFLSA-N 2 1 397.361 1.933 20 0 GDADMP Brc1cc2c(cc1C[N@@H+]1CC[C@H](N3CC[NH2+]CC3)C1)OCCO2 ZINC000261888623 531102464 /nfs/dbraw/zinc/10/24/64/531102464.db2.gz NLKDQBDCJMWFIS-AWEZNQCLSA-N 2 1 382.302 1.700 20 0 GDADMP Brc1cc2c(cc1C[N@H+]1CC[C@H](N3CC[NH2+]CC3)C1)OCCO2 ZINC000261888623 531102465 /nfs/dbraw/zinc/10/24/65/531102465.db2.gz NLKDQBDCJMWFIS-AWEZNQCLSA-N 2 1 382.302 1.700 20 0 GDADMP O=C(C[NH2+][C@@H](CO)c1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000521099166 531239704 /nfs/dbraw/zinc/23/97/04/531239704.db2.gz WOBRWNXUFFEDKD-KRWDZBQOSA-N 2 1 396.329 1.815 20 0 GDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414292887 531438039 /nfs/dbraw/zinc/43/80/39/531438039.db2.gz PBOYYCRBUFFESB-UHFFFAOYSA-N 2 1 387.303 1.781 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c(Br)cnn1C ZINC000294901961 531504706 /nfs/dbraw/zinc/50/47/06/531504706.db2.gz RQAZSXYHTMYKQM-CYBMUJFWSA-N 2 1 386.338 1.671 20 0 GDADMP CC[NH2+]CCNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415785270 531530004 /nfs/dbraw/zinc/53/00/04/531530004.db2.gz IFUARZYGIFJMIS-UHFFFAOYSA-N 2 1 385.310 1.327 20 0 GDADMP C[C@H](CCC[NH3+])NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415785730 531530496 /nfs/dbraw/zinc/53/04/96/531530496.db2.gz IQIGQUPVECBLSA-GFCCVEGCSA-N 2 1 399.337 1.845 20 0 GDADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@H](C)O1 ZINC000583837849 531598316 /nfs/dbraw/zinc/59/83/16/531598316.db2.gz FPULXDKWWFPGIZ-OKILXGFUSA-N 2 1 389.949 1.966 20 0 GDADMP Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507929 531661315 /nfs/dbraw/zinc/66/13/15/531661315.db2.gz OZHJHMMNECZGDY-NSHDSACASA-N 2 1 387.322 1.860 20 0 GDADMP Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507929 531661322 /nfs/dbraw/zinc/66/13/22/531661322.db2.gz OZHJHMMNECZGDY-NSHDSACASA-N 2 1 387.322 1.860 20 0 GDADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662437427 531677764 /nfs/dbraw/zinc/67/77/64/531677764.db2.gz DRCXXIWPOHDTOA-WFASDCNBSA-N 2 1 397.317 1.153 20 0 GDADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662437427 531677771 /nfs/dbraw/zinc/67/77/71/531677771.db2.gz DRCXXIWPOHDTOA-WFASDCNBSA-N 2 1 397.317 1.153 20 0 GDADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456581521 531923394 /nfs/dbraw/zinc/92/33/94/531923394.db2.gz LAQNNVMQNIEXKH-GXTWGEPZSA-N 2 1 396.333 1.732 20 0 GDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456581521 531923397 /nfs/dbraw/zinc/92/33/97/531923397.db2.gz LAQNNVMQNIEXKH-GXTWGEPZSA-N 2 1 396.333 1.732 20 0 GDADMP COCC[NH+]1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000462031610 532047102 /nfs/dbraw/zinc/04/71/02/532047102.db2.gz MIKAJQSKZFBMBZ-UHFFFAOYSA-N 2 1 384.318 1.879 20 0 GDADMP [NH3+]C[C@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000600728365 532052863 /nfs/dbraw/zinc/05/28/63/532052863.db2.gz TWHIMEJXRZYODT-IUCAKERBSA-N 2 1 378.317 1.224 20 0 GDADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000600728365 532052867 /nfs/dbraw/zinc/05/28/67/532052867.db2.gz TWHIMEJXRZYODT-IUCAKERBSA-N 2 1 378.317 1.224 20 0 GDADMP [NH3+]C[C@@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000600728360 532053733 /nfs/dbraw/zinc/05/37/33/532053733.db2.gz TWHIMEJXRZYODT-BDAKNGLRSA-N 2 1 378.317 1.224 20 0 GDADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000600728360 532053739 /nfs/dbraw/zinc/05/37/39/532053739.db2.gz TWHIMEJXRZYODT-BDAKNGLRSA-N 2 1 378.317 1.224 20 0 GDADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430647566 532255113 /nfs/dbraw/zinc/25/51/13/532255113.db2.gz YEUVXNPHAYKPJB-OLZOCXBDSA-N 2 1 397.317 1.563 20 0 GDADMP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430964254 532258028 /nfs/dbraw/zinc/25/80/28/532258028.db2.gz YHJIKVIUDLFRQU-GFCCVEGCSA-N 2 1 388.921 1.200 20 0 GDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736857492 599080139 /nfs/dbraw/zinc/08/01/39/599080139.db2.gz OGCGLCMWUHCJBK-GOSISDBHSA-N 2 1 385.516 1.347 20 0 GDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736857492 599080142 /nfs/dbraw/zinc/08/01/42/599080142.db2.gz OGCGLCMWUHCJBK-GOSISDBHSA-N 2 1 385.516 1.347 20 0 GDADMP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)CC(C)C ZINC000736534103 598521719 /nfs/dbraw/zinc/52/17/19/598521719.db2.gz LWRBBQYWICCGNW-GJZGRUSLSA-N 2 1 375.525 1.451 20 0 GDADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736402161 598712063 /nfs/dbraw/zinc/71/20/63/598712063.db2.gz LRQQQYMCSPJROU-HUUCEWRRSA-N 2 1 387.536 1.595 20 0 GDADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736402161 598712064 /nfs/dbraw/zinc/71/20/64/598712064.db2.gz LRQQQYMCSPJROU-HUUCEWRRSA-N 2 1 387.536 1.595 20 0 GDADMP COCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc23)CC1 ZINC000821691322 599495889 /nfs/dbraw/zinc/49/58/89/599495889.db2.gz QIVFUQZSAJIJBP-UHFFFAOYSA-N 2 1 381.484 1.976 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000825849272 607525448 /nfs/dbraw/zinc/52/54/48/607525448.db2.gz JCIQVVFQCTUKBZ-OLMNPRSZSA-N 2 1 399.499 1.379 20 0 GDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821625581 606898284 /nfs/dbraw/zinc/89/82/84/606898284.db2.gz RBQJSVUVRCNSMP-IBGZPJMESA-N 2 1 399.543 1.738 20 0 GDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821625581 606898286 /nfs/dbraw/zinc/89/82/86/606898286.db2.gz RBQJSVUVRCNSMP-IBGZPJMESA-N 2 1 399.543 1.738 20 0 GDADMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1-c1nn[nH]n1 ZINC000826077148 608021234 /nfs/dbraw/zinc/02/12/34/608021234.db2.gz BIPCAFXHMGJWOL-AWEZNQCLSA-N 2 1 387.492 1.087 20 0 GDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825838874 608510457 /nfs/dbraw/zinc/51/04/57/608510457.db2.gz DREAYYWYAWQRLN-LJQANCHMSA-N 2 1 397.527 1.776 20 0 GDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)CC)CC2)[C@@H](C)C1 ZINC000539065554 650327583 /nfs/dbraw/zinc/32/75/83/650327583.db2.gz INXISLDAXMQREF-WMZOPIPTSA-N 2 1 375.579 1.527 20 0 GDADMP C[NH+]1CCN(C(=O)CC[N@H+](CCO)Cc2cc(Br)cs2)CC1 ZINC000549171500 650571789 /nfs/dbraw/zinc/57/17/89/650571789.db2.gz GCUTYGUJCBDSSG-UHFFFAOYSA-N 2 1 390.347 1.469 20 0 GDADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCO)Cc2cc(Br)cs2)CC1 ZINC000549171500 650571792 /nfs/dbraw/zinc/57/17/92/650571792.db2.gz GCUTYGUJCBDSSG-UHFFFAOYSA-N 2 1 390.347 1.469 20 0 GDADMP C[NH+](CCS(=O)(=O)CC[N@H+](C)CC1CCOCC1)CC1CCOCC1 ZINC000155773906 644815410 /nfs/dbraw/zinc/81/54/10/644815410.db2.gz JBRNRIGMWVBTGT-UHFFFAOYSA-N 2 1 376.563 1.118 20 0 GDADMP O=C1[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Br)c1 ZINC000420350207 645940924 /nfs/dbraw/zinc/94/09/24/645940924.db2.gz RZMBZPBMUHYJGN-SJORKVTESA-N 2 1 393.329 1.534 20 0 GDADMP O=C1[C@@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Br)c1 ZINC000420350207 645940927 /nfs/dbraw/zinc/94/09/27/645940927.db2.gz RZMBZPBMUHYJGN-SJORKVTESA-N 2 1 393.329 1.534 20 0 GDADMP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1 ZINC000420348202 645940961 /nfs/dbraw/zinc/94/09/61/645940961.db2.gz KCKCCADNJKLWAW-INIZCTEOSA-N 2 1 381.318 1.757 20 0 GDADMP CN(C(=O)Cn1cc(Br)cn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601474066 652586120 /nfs/dbraw/zinc/58/61/20/652586120.db2.gz LFWYVUZEXYWEHQ-HNNXBMFYSA-N 2 1 384.322 1.273 20 0 GDADMP CN(C(=O)Cn1cc(Br)cn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601474066 652586122 /nfs/dbraw/zinc/58/61/22/652586122.db2.gz LFWYVUZEXYWEHQ-HNNXBMFYSA-N 2 1 384.322 1.273 20 0 GDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000602571654 652641751 /nfs/dbraw/zinc/64/17/51/652641751.db2.gz BJOLKPMRKQOBCH-POYBYMJQSA-N 2 1 377.251 1.436 20 0 GDADMP NS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629562348 653172282 /nfs/dbraw/zinc/17/22/82/653172282.db2.gz BKQDANHEFBUTGT-RISCZKNCSA-N 2 1 381.420 1.172 20 0 GDADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629562348 653172285 /nfs/dbraw/zinc/17/22/85/653172285.db2.gz BKQDANHEFBUTGT-RISCZKNCSA-N 2 1 381.420 1.172 20 0 GDADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000643521859 653583353 /nfs/dbraw/zinc/58/33/53/653583353.db2.gz DMGWKKOCUWEGIV-CMPLNLGQSA-N 2 1 376.320 1.889 20 0 GDADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]([NH3+])c3ccccc3Br)CC2)C1 ZINC000662461889 654293939 /nfs/dbraw/zinc/29/39/39/654293939.db2.gz FKATZLKZDQUCMB-RHSMWYFYSA-N 2 1 395.345 1.687 20 0 GDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]([NH3+])c3ccccc3Br)CC2)C1 ZINC000662461889 654293946 /nfs/dbraw/zinc/29/39/46/654293946.db2.gz FKATZLKZDQUCMB-RHSMWYFYSA-N 2 1 395.345 1.687 20 0 GDADMP CCOP(=O)(OCC)[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000851882963 655602292 /nfs/dbraw/zinc/60/22/92/655602292.db2.gz MGZLTWRYNUOLSL-IKGGRYGDSA-N 2 1 377.466 1.529 20 0 GDADMP C[Si](C)(CC[NH+]1CCSC[C@@H]1CO)CC[N@H+]1CCSC[C@@H]1CO ZINC000859219677 655769988 /nfs/dbraw/zinc/76/99/88/655769988.db2.gz FKMCDWBJVFJRHD-HOTGVXAUSA-N 2 1 378.680 1.514 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000866714456 655956287 /nfs/dbraw/zinc/95/62/87/655956287.db2.gz PHHLOQUERJVYPD-IMJJTQAJSA-N 2 1 396.285 1.695 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923280131 656542335 /nfs/dbraw/zinc/54/23/35/656542335.db2.gz FETBIPQZOWMMKJ-STQMWFEESA-N 2 1 390.311 1.520 20 0 GDADMP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931488766 657103096 /nfs/dbraw/zinc/10/30/96/657103096.db2.gz VDJDDVJHHDPAHK-UHFFFAOYSA-N 2 1 398.345 1.796 20 0 GDADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000892925297 658360160 /nfs/dbraw/zinc/36/01/60/658360160.db2.gz BJSQPLIAUHHHLG-UHFFFAOYSA-N 2 1 397.317 1.661 20 0 GDADMP CC[NH+](CC)CCOCC[NH2+]Cc1cn(C)nc1I ZINC000894455829 658561545 /nfs/dbraw/zinc/56/15/45/658561545.db2.gz LJSQWLKJGSHHAW-UHFFFAOYSA-N 2 1 380.274 1.473 20 0 GDADMP OC[C@@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000903940097 659389745 /nfs/dbraw/zinc/38/97/45/659389745.db2.gz WJPONQJQPNSXHQ-GOEBONIOSA-N 2 1 380.290 1.788 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(OC)c(O)c1Br)C2 ZINC000903977557 659391675 /nfs/dbraw/zinc/39/16/75/659391675.db2.gz TYCSXAPZJDXLQY-JKDFXYPNSA-N 2 1 399.285 1.876 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cnc3ccc(Br)cn13)C2 ZINC000903978668 659392158 /nfs/dbraw/zinc/39/21/58/659392158.db2.gz JVNMGHJDLFSOJD-PPHDSNJXSA-N 2 1 393.285 1.809 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cnc3ccc(Br)cn13)C2 ZINC000903978668 659392163 /nfs/dbraw/zinc/39/21/63/659392163.db2.gz JVNMGHJDLFSOJD-PPHDSNJXSA-N 2 1 393.285 1.809 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)n2)CC1 ZINC001164619770 719048783 /nfs/dbraw/zinc/04/87/83/719048783.db2.gz DTYMUIMZYYYDQO-KNQAVFIVSA-N 2 1 378.524 1.812 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(CN3C(=O)CCC3=O)cn2)c2c1CC[NH2+]C2 ZINC001164684834 719629415 /nfs/dbraw/zinc/62/94/15/719629415.db2.gz XZOUMTIFKJXFDW-UHFFFAOYSA-N 2 1 396.495 1.402 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(CN3C(=O)CCC3=O)cn2)c2c1CC[NH2+]C2 ZINC001164684834 719629419 /nfs/dbraw/zinc/62/94/19/719629419.db2.gz XZOUMTIFKJXFDW-UHFFFAOYSA-N 2 1 396.495 1.402 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2nccc(N3CCC([NH3+])CC3)n2)c2c1CC[NH2+]C2 ZINC001164684856 719632947 /nfs/dbraw/zinc/63/29/47/719632947.db2.gz YDLTVZBRWMAWES-UHFFFAOYSA-N 3 1 384.532 1.076 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc(N3CCC([NH3+])CC3)n2)c2c1CC[NH2+]C2 ZINC001164684856 719632959 /nfs/dbraw/zinc/63/29/59/719632959.db2.gz YDLTVZBRWMAWES-UHFFFAOYSA-N 3 1 384.532 1.076 20 0 GDADMP Cc1nc2c(nc(Cl)nc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1C ZINC001164679481 719635695 /nfs/dbraw/zinc/63/56/95/719635695.db2.gz CCDZUZXPNDJSHH-UHFFFAOYSA-N 2 1 388.907 1.997 20 0 GDADMP Cc1nc2c(nc(Cl)nc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1C ZINC001164679481 719635696 /nfs/dbraw/zinc/63/56/96/719635696.db2.gz CCDZUZXPNDJSHH-UHFFFAOYSA-N 2 1 388.907 1.997 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164714960 720171674 /nfs/dbraw/zinc/17/16/74/720171674.db2.gz RUBXRDYYQOIQSL-QGZVFWFLSA-N 2 1 396.499 1.313 20 0 GDADMP CCN(C)c1cc[nH+]c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164818687 720286363 /nfs/dbraw/zinc/28/63/63/720286363.db2.gz MDCNFHRIETVBSR-MSOLQXFVSA-N 2 1 386.544 1.844 20 0 GDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164742092 720816765 /nfs/dbraw/zinc/81/67/65/720816765.db2.gz PTCRASUOCGQBKZ-QRFRQXIXSA-N 2 1 394.527 1.093 20 0 GDADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccnc(N3CC[NH+](C)CC3)n1)[C@@H]2C ZINC001164864007 721012410 /nfs/dbraw/zinc/01/24/10/721012410.db2.gz WRODSEDTRTYOCM-QGZVFWFLSA-N 2 1 398.559 1.846 20 0 GDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccnc(N3CC[NH+](C)CC3)n1)[C@@H]2C ZINC001164864007 721012414 /nfs/dbraw/zinc/01/24/14/721012414.db2.gz WRODSEDTRTYOCM-QGZVFWFLSA-N 2 1 398.559 1.846 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)C[C@@H]3C2)cn1 ZINC001164763333 721172055 /nfs/dbraw/zinc/17/20/55/721172055.db2.gz FLLBUCLKFUEMJS-OALUTQOASA-N 2 1 381.528 1.635 20 0 GDADMP Clc1nc2c(c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n1)C[NH2+]CC2 ZINC001164780189 721389769 /nfs/dbraw/zinc/38/97/69/721389769.db2.gz FLVCJTUAOLQAAB-RYUDHWBXSA-N 2 1 376.917 1.800 20 0 GDADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc[nH+]c(N)n1)CC2 ZINC001164784855 721464060 /nfs/dbraw/zinc/46/40/60/721464060.db2.gz KNILVMXCVCULEF-QGZVFWFLSA-N 2 1 375.517 1.793 20 0 GDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc[nH+]c(N)n1)CC2 ZINC001164784855 721464062 /nfs/dbraw/zinc/46/40/62/721464062.db2.gz KNILVMXCVCULEF-QGZVFWFLSA-N 2 1 375.517 1.793 20 0 GDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295014 946150875 /nfs/dbraw/zinc/15/08/75/946150875.db2.gz NOOAGQOFLBXGAE-UONOGXRCSA-N 2 1 389.529 1.493 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574708256 949489536 /nfs/dbraw/zinc/48/95/36/949489536.db2.gz UURPUTWWAYUSBC-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574723636 949850657 /nfs/dbraw/zinc/85/06/57/949850657.db2.gz AFLSGQAXEXPDHV-CYBMUJFWSA-N 2 1 377.468 1.283 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574151832 950094790 /nfs/dbraw/zinc/09/47/90/950094790.db2.gz ZBFIHKPOAMHHOT-KBPBESRZSA-N 2 1 391.545 1.500 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576192787 950266505 /nfs/dbraw/zinc/26/65/05/950266505.db2.gz OXJNJINDCLTSCZ-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576196781 950372070 /nfs/dbraw/zinc/37/20/70/950372070.db2.gz HZAGNGJDZNVCSF-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576196780 950373286 /nfs/dbraw/zinc/37/32/86/950373286.db2.gz HZAGNGJDZNVCSF-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001576197410 950394172 /nfs/dbraw/zinc/39/41/72/950394172.db2.gz NFMYJIRIMXXISP-OAHLLOKOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576202904 950438586 /nfs/dbraw/zinc/43/85/86/950438586.db2.gz FFGJOJQMZWUUEM-MGPUTAFESA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576202904 950438599 /nfs/dbraw/zinc/43/85/99/950438599.db2.gz FFGJOJQMZWUUEM-MGPUTAFESA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576202904 950438608 /nfs/dbraw/zinc/43/86/08/950438608.db2.gz FFGJOJQMZWUUEM-MGPUTAFESA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576204961 950488913 /nfs/dbraw/zinc/48/89/13/950488913.db2.gz SWMHDPQQIDVVDT-CYBMUJFWSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576205226 950500530 /nfs/dbraw/zinc/50/05/30/950500530.db2.gz HKZJRKNPDRFPDN-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576205226 950500549 /nfs/dbraw/zinc/50/05/49/950500549.db2.gz HKZJRKNPDRFPDN-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576205226 950500559 /nfs/dbraw/zinc/50/05/59/950500559.db2.gz HKZJRKNPDRFPDN-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC(C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205363 950510836 /nfs/dbraw/zinc/51/08/36/950510836.db2.gz YETQJKXCOGOGNH-UQPPLGOBSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576214950 950685880 /nfs/dbraw/zinc/68/58/80/950685880.db2.gz RTFIEKDQVDXDFR-QGPMSJSTSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079366 951690839 /nfs/dbraw/zinc/69/08/39/951690839.db2.gz DCDBDUXNAXMSBZ-UKRRQHHQSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079804 951698001 /nfs/dbraw/zinc/69/80/01/951698001.db2.gz OWMYTKBAYHJFQQ-SUMWQHHRSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081390 951721139 /nfs/dbraw/zinc/72/11/39/951721139.db2.gz UHVYPNWPZSTTRV-CYBMUJFWSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575091645 951780580 /nfs/dbraw/zinc/78/05/80/951780580.db2.gz TUMZPBIJUJNCTO-UKRRQHHQSA-N 2 1 389.479 1.284 20 0 GDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233833 953195780 /nfs/dbraw/zinc/19/57/80/953195780.db2.gz FPQWRKIIYWGBIP-ZWKOTPCHSA-N 2 1 383.500 1.432 20 0 GDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233833 953195785 /nfs/dbraw/zinc/19/57/85/953195785.db2.gz FPQWRKIIYWGBIP-ZWKOTPCHSA-N 2 1 383.500 1.432 20 0 GDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233833 953195791 /nfs/dbraw/zinc/19/57/91/953195791.db2.gz FPQWRKIIYWGBIP-ZWKOTPCHSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571233804 953196229 /nfs/dbraw/zinc/19/62/29/953196229.db2.gz DOTWZRYXEVHBNB-IIDMSEBBSA-N 2 1 383.500 1.145 20 0 GDADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001571235008 953208129 /nfs/dbraw/zinc/20/81/29/953208129.db2.gz PMPRJIHMNQZWBL-SFHVURJKSA-N 2 1 383.500 1.241 20 0 GDADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571235314 953211512 /nfs/dbraw/zinc/21/15/12/953211512.db2.gz ZVVZVNUDCKWJSK-SJLPKXTDSA-N 2 1 383.500 1.432 20 0 GDADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571235314 953211514 /nfs/dbraw/zinc/21/15/14/953211514.db2.gz ZVVZVNUDCKWJSK-SJLPKXTDSA-N 2 1 383.500 1.432 20 0 GDADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571235314 953211517 /nfs/dbraw/zinc/21/15/17/953211517.db2.gz ZVVZVNUDCKWJSK-SJLPKXTDSA-N 2 1 383.500 1.432 20 0 GDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H]([NH2+]Cc1cnc(N3CCOCC3)s1)C2 ZINC001550423597 1126206591 /nfs/dbraw/zinc/20/65/91/1126206591.db2.gz PFYAWTYBYSFWMS-ZMMAXQRCSA-N 2 1 380.558 1.549 20 0 GDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261661562 531095221 /nfs/dbraw/zinc/09/52/21/531095221.db2.gz FFMYRFJXRDUFDW-WBVHZDCISA-N 2 1 384.318 1.850 20 0 GDADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414353693 531441771 /nfs/dbraw/zinc/44/17/71/531441771.db2.gz ZEEGFXSOTWPDHT-UHFFFAOYSA-N 2 1 375.922 1.578 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000414354266 531442959 /nfs/dbraw/zinc/44/29/59/531442959.db2.gz XESNGPPOIPVIAR-CQSZACIVSA-N 2 1 375.922 1.314 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1Br ZINC000582288827 531546730 /nfs/dbraw/zinc/54/67/30/531546730.db2.gz BTMKWYBVWGYVMB-LBPRGKRZSA-N 2 1 397.317 1.647 20 0 GDADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595949439 531895595 /nfs/dbraw/zinc/89/55/95/531895595.db2.gz DKVRNSXQIMMKKD-CBAPKCEASA-N 2 1 391.278 1.684 20 0 GDADMP [NH3+]C1(CNC(=O)c2sc3c(c2I)C[NH2+]C3)CCCC1 ZINC000595967835 531901165 /nfs/dbraw/zinc/90/11/65/531901165.db2.gz WLJVGWZGDZLEHA-UHFFFAOYSA-N 2 1 391.278 1.957 20 0 GDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000419793701 531971110 /nfs/dbraw/zinc/97/11/10/531971110.db2.gz JPEDMAGESPSVSE-LBPRGKRZSA-N 2 1 390.347 1.918 20 0 GDADMP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CCOCC[NH3+] ZINC000600735256 532053116 /nfs/dbraw/zinc/05/31/16/532053116.db2.gz LGOUJVAKQSEMIV-NSHDSACASA-N 2 1 391.253 1.525 20 0 GDADMP C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)CCOCC[NH3+] ZINC000600735256 532053122 /nfs/dbraw/zinc/05/31/22/532053122.db2.gz LGOUJVAKQSEMIV-NSHDSACASA-N 2 1 391.253 1.525 20 0 GDADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCc2cccc(C(=O)NCC[NH+](C)C)c2)[nH+]1 ZINC000737240831 598457787 /nfs/dbraw/zinc/45/77/87/598457787.db2.gz MPOAZYOLXNYTPA-UHFFFAOYSA-N 2 1 394.483 1.782 20 0 GDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000736860370 598618717 /nfs/dbraw/zinc/61/87/17/598618717.db2.gz OBBSIMPLSYJYPE-SFHVURJKSA-N 2 1 394.527 1.721 20 0 GDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000736860370 598618718 /nfs/dbraw/zinc/61/87/18/598618718.db2.gz OBBSIMPLSYJYPE-SFHVURJKSA-N 2 1 394.527 1.721 20 0 GDADMP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738288756 598764063 /nfs/dbraw/zinc/76/40/63/598764063.db2.gz FQCGRJYFULVLQL-IBGZPJMESA-N 2 1 395.511 1.780 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000825848285 607524937 /nfs/dbraw/zinc/52/49/37/607524937.db2.gz BQCYWPLHBDIQFH-NZSAHSFTSA-N 2 1 386.500 1.819 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000825850815 607525452 /nfs/dbraw/zinc/52/54/52/607525452.db2.gz SGVSTCACVYIVNV-NZSAHSFTSA-N 2 1 386.500 1.819 20 0 GDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625392 606897875 /nfs/dbraw/zinc/89/78/75/606897875.db2.gz MMOWUWLLTLZWND-OALUTQOASA-N 2 1 385.516 1.002 20 0 GDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625392 606897876 /nfs/dbraw/zinc/89/78/76/606897876.db2.gz MMOWUWLLTLZWND-OALUTQOASA-N 2 1 385.516 1.002 20 0 GDADMP COc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1-c1nn[nH]n1 ZINC000826192195 608419198 /nfs/dbraw/zinc/41/91/98/608419198.db2.gz CXZDRGHJOZZJPY-QGZVFWFLSA-N 2 1 385.516 1.476 20 0 GDADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1-c1nn[nH]n1 ZINC000826202495 609381350 /nfs/dbraw/zinc/38/13/50/609381350.db2.gz BSBJOXHICGPMTD-GOSISDBHSA-N 2 1 394.479 1.732 20 0 GDADMP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000048750393 644394008 /nfs/dbraw/zinc/39/40/08/644394008.db2.gz DVMUOWUPFURCQS-CQSZACIVSA-N 2 1 385.921 1.889 20 0 GDADMP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000509814342 648300739 /nfs/dbraw/zinc/30/07/39/648300739.db2.gz ZVJRYUJMKJEBER-NSHDSACASA-N 2 1 385.306 1.516 20 0 GDADMP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Br)cn1 ZINC000517867574 648579740 /nfs/dbraw/zinc/57/97/40/648579740.db2.gz AKOWTQGNHXZCKZ-HNNXBMFYSA-N 2 1 385.350 1.885 20 0 GDADMP Cn1ncc(Br)c1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000574395274 651537977 /nfs/dbraw/zinc/53/79/77/651537977.db2.gz OMXLAJDHJYCJMS-UHFFFAOYSA-N 2 1 379.262 1.582 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cccc(I)c2)CC1 ZINC000578123121 651774529 /nfs/dbraw/zinc/77/45/29/651774529.db2.gz QDGBNXKQHCPWPR-UHFFFAOYSA-N 2 1 387.265 1.545 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000581127334 651960605 /nfs/dbraw/zinc/96/06/05/651960605.db2.gz OMNCVPBBGUCFGJ-UHFFFAOYSA-N 2 1 397.317 1.531 20 0 GDADMP Cn1cc(Br)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000583181748 652028496 /nfs/dbraw/zinc/02/84/96/652028496.db2.gz USLAOLDSTUNPFW-UHFFFAOYSA-N 2 1 379.262 1.582 20 0 GDADMP CC(C)[C@@H]([NH3+])CNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595924547 652427175 /nfs/dbraw/zinc/42/71/75/652427175.db2.gz MGGSKGCRCNXVHN-QMMMGPOBSA-N 2 1 379.267 1.669 20 0 GDADMP C[C@@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC[C@H]1[NH3+] ZINC000595924653 652427194 /nfs/dbraw/zinc/42/71/94/652427194.db2.gz OYAXYBDASQLTAZ-VXNVDRBHSA-N 2 1 391.278 1.765 20 0 GDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638563647 653540339 /nfs/dbraw/zinc/54/03/39/653540339.db2.gz AKNFNNIHOMADOM-UHFFFAOYSA-N 2 1 395.349 1.855 20 0 GDADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1ccc(Br)cc1 ZINC000647517849 653628038 /nfs/dbraw/zinc/62/80/38/653628038.db2.gz MCLFDZPWUCRVSS-HOTGVXAUSA-N 2 1 387.318 1.625 20 0 GDADMP C[NH+](C)CC[C@H](N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000653124079 653906862 /nfs/dbraw/zinc/90/68/62/653906862.db2.gz QFNDERCKERHJIH-KRWDZBQOSA-N 2 1 397.361 1.809 20 0 GDADMP C[NH+]1CCN([C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655910603 653993204 /nfs/dbraw/zinc/99/32/04/653993204.db2.gz ZYSJUQGRYASWEL-YPMHNXCESA-N 2 1 379.452 1.225 20 0 GDADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)s1 ZINC000796299461 655209855 /nfs/dbraw/zinc/20/98/55/655209855.db2.gz KMCHGVCNHYCQPX-UHFFFAOYSA-N 2 1 382.502 1.559 20 0 GDADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764518403 655217801 /nfs/dbraw/zinc/21/78/01/655217801.db2.gz BMQRNFJXAOIZHI-ZDUSSCGKSA-N 2 1 377.532 1.015 20 0 GDADMP COc1ccc(Br)c(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866711413 655956011 /nfs/dbraw/zinc/95/60/11/655956011.db2.gz KBRVJRKMCQNIDX-MAZHCROVSA-N 2 1 396.285 1.825 20 0 GDADMP COc1ccc(Br)c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866711413 655956013 /nfs/dbraw/zinc/95/60/13/655956013.db2.gz KBRVJRKMCQNIDX-MAZHCROVSA-N 2 1 396.285 1.825 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H](O)c1cccc(Br)c1)C2 ZINC000923429119 656551793 /nfs/dbraw/zinc/55/17/93/656551793.db2.gz PQMPYEBXDLGOAE-CRNXPOROSA-N 2 1 383.286 1.695 20 0 GDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878158559 656709641 /nfs/dbraw/zinc/70/96/41/656709641.db2.gz JGYDDUHWKPHBIM-CHWSQXEVSA-N 2 1 376.295 1.903 20 0 GDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878158559 656709642 /nfs/dbraw/zinc/70/96/42/656709642.db2.gz JGYDDUHWKPHBIM-CHWSQXEVSA-N 2 1 376.295 1.903 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000933442889 657281706 /nfs/dbraw/zinc/28/17/06/657281706.db2.gz WNRKQTYWBRDCPN-GOSISDBHSA-N 2 1 398.345 1.496 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CCc2ccccc2Br)C1 ZINC000883439292 657287048 /nfs/dbraw/zinc/28/70/48/657287048.db2.gz NTBXPQVTYRVVHH-IMJJTQAJSA-N 2 1 380.286 1.859 20 0 GDADMP O=S(=O)(Cc1ccc(Cl)nc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562818 659342246 /nfs/dbraw/zinc/34/22/46/659342246.db2.gz VPFAFCDAZFIPPG-IYBDPMFKSA-N 2 1 384.933 1.465 20 0 GDADMP O=S(=O)(Cc1ccc(Cl)nc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562818 659342254 /nfs/dbraw/zinc/34/22/54/659342254.db2.gz VPFAFCDAZFIPPG-IYBDPMFKSA-N 2 1 384.933 1.465 20 0 GDADMP CN(CC(C)(C)C[NH3+])C(=O)[C@H]([NH3+])c1ccccc1I ZINC000911869194 660019895 /nfs/dbraw/zinc/01/98/95/660019895.db2.gz ZKDQWSJQLZBZPY-GFCCVEGCSA-N 2 1 375.254 1.734 20 0 GDADMP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1I ZINC000911882255 660020166 /nfs/dbraw/zinc/02/01/66/660020166.db2.gz UPBPINGAWOMART-GXFFZTMASA-N 2 1 375.254 1.925 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)n2)CC1 ZINC001164386964 718815534 /nfs/dbraw/zinc/81/55/34/718815534.db2.gz CLMWTMZZGZXXKL-OAHLLOKOSA-N 2 1 384.450 1.739 20 0 GDADMP COCCOC(=O)c1ccnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164680597 719649667 /nfs/dbraw/zinc/64/96/67/719649667.db2.gz XQBPOTPOUICUGT-UHFFFAOYSA-N 2 1 387.484 1.556 20 0 GDADMP COCCOC(=O)c1ccnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164680597 719649674 /nfs/dbraw/zinc/64/96/74/719649674.db2.gz XQBPOTPOUICUGT-UHFFFAOYSA-N 2 1 387.484 1.556 20 0 GDADMP CCc1cc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc(N2CCOCC2)[nH+]1 ZINC001164730825 720519858 /nfs/dbraw/zinc/51/98/58/720519858.db2.gz UCTWBKFZLRNXNH-MRXNPFEDSA-N 2 1 385.516 1.270 20 0 GDADMP c1cc(N2CCOCC2)[nH+]c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164745293 720738786 /nfs/dbraw/zinc/73/87/86/720738786.db2.gz UYRYKKUPQNGLCM-SJORKVTESA-N 2 1 382.468 1.050 20 0 GDADMP c1cc(N2CCOCC2)[nH+]c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164745293 720738787 /nfs/dbraw/zinc/73/87/87/720738787.db2.gz UYRYKKUPQNGLCM-SJORKVTESA-N 2 1 382.468 1.050 20 0 GDADMP c1cc(N2CCOCC2)[nH+]c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164745291 720739509 /nfs/dbraw/zinc/73/95/09/720739509.db2.gz UYRYKKUPQNGLCM-IAGOWNOFSA-N 2 1 382.468 1.050 20 0 GDADMP c1cc(N2CCOCC2)[nH+]c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164745291 720739524 /nfs/dbraw/zinc/73/95/24/720739524.db2.gz UYRYKKUPQNGLCM-IAGOWNOFSA-N 2 1 382.468 1.050 20 0 GDADMP C[N@@H+](Cc1ccc(N2CC[NH+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164745854 720776074 /nfs/dbraw/zinc/77/60/74/720776074.db2.gz WARLYKWSZOXCKI-RTBURBONSA-N 2 1 380.496 1.808 20 0 GDADMP C[NH+](Cc1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164745854 720776079 /nfs/dbraw/zinc/77/60/79/720776079.db2.gz WARLYKWSZOXCKI-RTBURBONSA-N 2 1 380.496 1.808 20 0 GDADMP C[NH+](Cc1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164745854 720776082 /nfs/dbraw/zinc/77/60/82/720776082.db2.gz WARLYKWSZOXCKI-RTBURBONSA-N 2 1 380.496 1.808 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741216 720816145 /nfs/dbraw/zinc/81/61/45/720816145.db2.gz MLDAVZSQTOTECH-YQVWRLOYSA-N 2 1 392.511 1.939 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741216 720816147 /nfs/dbraw/zinc/81/61/47/720816147.db2.gz MLDAVZSQTOTECH-YQVWRLOYSA-N 2 1 392.511 1.939 20 0 GDADMP COCC[N@@H+]1CCO[C@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)CC[C@H]2C1 ZINC001164858588 720873783 /nfs/dbraw/zinc/87/37/83/720873783.db2.gz LGWGCTNWLSKQER-ROUUACIJSA-N 2 1 375.517 1.640 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)CC[C@H]2C1 ZINC001164858588 720873784 /nfs/dbraw/zinc/87/37/84/720873784.db2.gz LGWGCTNWLSKQER-ROUUACIJSA-N 2 1 375.517 1.640 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2CC[NH2+]C3)[C@H]2CCCO[C@H]12 ZINC001164811204 721538878 /nfs/dbraw/zinc/53/88/78/721538878.db2.gz ZLLSIEXQBWUFST-ZCNNSNEGSA-N 2 1 380.496 1.386 20 0 GDADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)[NH+](C)C ZINC001571266014 945528424 /nfs/dbraw/zinc/52/84/24/945528424.db2.gz TVKSSPNDMNJGSF-AEFFLSMTSA-N 2 1 385.516 1.630 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571281699 945810686 /nfs/dbraw/zinc/81/06/86/945810686.db2.gz LZEPLVMDISAVKM-SRCQZFHVSA-N 2 1 387.463 1.084 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571282313 945837917 /nfs/dbraw/zinc/83/79/17/945837917.db2.gz GVLAIIYVYVSBJI-VBQJREDUSA-N 2 1 387.463 1.227 20 0 GDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294152 946128314 /nfs/dbraw/zinc/12/83/14/946128314.db2.gz BREPXGBZPGYZRZ-CQSZACIVSA-N 2 1 389.529 1.303 20 0 GDADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001571305612 946370200 /nfs/dbraw/zinc/37/02/00/946370200.db2.gz HMESOFCTNRTLSD-UKRRQHHQSA-N 2 1 391.545 1.691 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823689852 946467549 /nfs/dbraw/zinc/46/75/49/946467549.db2.gz JWEAQOUTZOHWFO-AEFFLSMTSA-N 2 1 386.500 1.414 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823689852 946467558 /nfs/dbraw/zinc/46/75/58/946467558.db2.gz JWEAQOUTZOHWFO-AEFFLSMTSA-N 2 1 386.500 1.414 20 0 GDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574707659 949471359 /nfs/dbraw/zinc/47/13/59/949471359.db2.gz PUHHEABXOSYCFG-MAUKXSAKSA-N 2 1 385.516 1.676 20 0 GDADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575271369 949620811 /nfs/dbraw/zinc/62/08/11/949620811.db2.gz JWMKPICFWLPRLV-QAPCUYQASA-N 2 1 385.516 1.535 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574724877 949881028 /nfs/dbraw/zinc/88/10/28/949881028.db2.gz KZKOSJZYUZKUIY-HNNXBMFYSA-N 2 1 387.532 1.781 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574150637 950034688 /nfs/dbraw/zinc/03/46/88/950034688.db2.gz CVVAVAAOWKBUBD-MSOLQXFVSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576196217 950351386 /nfs/dbraw/zinc/35/13/86/950351386.db2.gz AXKQQPBDBVVEMM-HOTGVXAUSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576197250 950382860 /nfs/dbraw/zinc/38/28/60/950382860.db2.gz LYIZFIAGATVZFS-XJKSGUPXSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204107 950456103 /nfs/dbraw/zinc/45/61/03/950456103.db2.gz LWWUIXAHPQHSPJ-FOIQADDNSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204107 950456117 /nfs/dbraw/zinc/45/61/17/950456117.db2.gz LWWUIXAHPQHSPJ-FOIQADDNSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204107 950456132 /nfs/dbraw/zinc/45/61/32/950456132.db2.gz LWWUIXAHPQHSPJ-FOIQADDNSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575912896 950468049 /nfs/dbraw/zinc/46/80/49/950468049.db2.gz RJJDNCFNCANETO-RDTXWAMCSA-N 2 1 383.500 1.430 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)CC2)C1 ZINC001576205758 950537225 /nfs/dbraw/zinc/53/72/25/950537225.db2.gz ONBWUYZQMRFXEB-CYBMUJFWSA-N 2 1 387.463 1.086 20 0 GDADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576206528 950574003 /nfs/dbraw/zinc/57/40/03/950574003.db2.gz XGYAORGIJFFLPM-UONOGXRCSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001574771916 950946015 /nfs/dbraw/zinc/94/60/15/950946015.db2.gz MUCPNQZFUIIANR-ZDUSSCGKSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575090320 951759796 /nfs/dbraw/zinc/75/97/96/951759796.db2.gz KMVSNJFAIUVGBH-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575091928 951786560 /nfs/dbraw/zinc/78/65/60/951786560.db2.gz ZCZNJJXOYBBHIM-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571234722 953204978 /nfs/dbraw/zinc/20/49/78/953204978.db2.gz GYVDWAWDACOJOA-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571235023 953208133 /nfs/dbraw/zinc/20/81/33/953208133.db2.gz PYFSEFMCTMJSEN-ZWKOTPCHSA-N 2 1 383.500 1.432 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001571235192 953209221 /nfs/dbraw/zinc/20/92/21/953209221.db2.gz WMRSRPQQSYNFQN-INIZCTEOSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235329 953211737 /nfs/dbraw/zinc/21/17/37/953211737.db2.gz ZZZNCYYWLHQXAJ-WMZOPIPTSA-N 2 1 383.500 1.432 20 0 GDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C)CC[N@@H+]1C ZINC001571252726 953331682 /nfs/dbraw/zinc/33/16/82/953331682.db2.gz VASBZZJJJHJIDX-BFJAYTPKSA-N 2 1 384.488 1.075 20 0 GDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C)CC[N@H+]1C ZINC001571252726 953331686 /nfs/dbraw/zinc/33/16/86/953331686.db2.gz VASBZZJJJHJIDX-BFJAYTPKSA-N 2 1 384.488 1.075 20 0 GDADMP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1cccc(Cl)c1 ZINC000261999847 531105175 /nfs/dbraw/zinc/10/51/75/531105175.db2.gz UKOAZIZADWOEDC-GVDBMIGSSA-N 2 1 387.933 1.365 20 0 GDADMP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000261915674 531102302 /nfs/dbraw/zinc/10/23/02/531102302.db2.gz JOHZORLLXUCSHW-ZACQAIPSSA-N 2 1 396.329 1.926 20 0 GDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000414125049 531431716 /nfs/dbraw/zinc/43/17/16/531431716.db2.gz PXYMRYMLSZMVRW-HOCLYGCPSA-N 2 1 386.334 1.682 20 0 GDADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000414749825 531462573 /nfs/dbraw/zinc/46/25/73/531462573.db2.gz WRILPOQINQRTIX-WBMJQRKESA-N 2 1 397.317 1.105 20 0 GDADMP Cn1ncc(Br)c1CN1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000494953423 531623623 /nfs/dbraw/zinc/62/36/23/531623623.db2.gz FRQBQSBHJYRPIF-UHFFFAOYSA-N 2 1 398.349 1.559 20 0 GDADMP O=C(CN1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000638131269 531645865 /nfs/dbraw/zinc/64/58/65/531645865.db2.gz LCHAUNLZZGSQGZ-UHFFFAOYSA-N 2 1 395.345 1.435 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000617506993 531660663 /nfs/dbraw/zinc/66/06/63/531660663.db2.gz DONYIDLELFIGQW-LBPRGKRZSA-N 2 1 387.322 1.480 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000617506993 531660671 /nfs/dbraw/zinc/66/06/71/531660671.db2.gz DONYIDLELFIGQW-LBPRGKRZSA-N 2 1 387.322 1.480 20 0 GDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000626910929 531941195 /nfs/dbraw/zinc/94/11/95/531941195.db2.gz MXWLGUOCUZRBGR-IINYFYTJSA-N 2 1 383.290 1.316 20 0 GDADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423207960 532074392 /nfs/dbraw/zinc/07/43/92/532074392.db2.gz HKSCQYSCRLCBJW-MNOVXSKESA-N 2 1 376.320 1.747 20 0 GDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000736145159 598356988 /nfs/dbraw/zinc/35/69/88/598356988.db2.gz BOYWVLIJGAPTCO-OAHLLOKOSA-N 2 1 383.500 1.644 20 0 GDADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821596898 606111656 /nfs/dbraw/zinc/11/16/56/606111656.db2.gz YAAUHCJTXQWYMZ-AWEZNQCLSA-N 2 1 389.529 1.921 20 0 GDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821596898 606111657 /nfs/dbraw/zinc/11/16/57/606111657.db2.gz YAAUHCJTXQWYMZ-AWEZNQCLSA-N 2 1 389.529 1.921 20 0 GDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821596898 606111659 /nfs/dbraw/zinc/11/16/59/606111659.db2.gz YAAUHCJTXQWYMZ-AWEZNQCLSA-N 2 1 389.529 1.921 20 0 GDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821596898 606111661 /nfs/dbraw/zinc/11/16/61/606111661.db2.gz YAAUHCJTXQWYMZ-AWEZNQCLSA-N 2 1 389.529 1.921 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000567228160 650893802 /nfs/dbraw/zinc/89/38/02/650893802.db2.gz IYODCSCCUIIWDY-CYBMUJFWSA-N 2 1 390.311 1.487 20 0 GDADMP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000567241200 650894728 /nfs/dbraw/zinc/89/47/28/650894728.db2.gz RRWCOZOXVXQNNW-CQSZACIVSA-N 2 1 386.949 1.215 20 0 GDADMP COc1cc(Br)ccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000186861288 644996781 /nfs/dbraw/zinc/99/67/81/644996781.db2.gz NQHHGNWYXWXYEL-UHFFFAOYSA-N 2 1 385.306 1.584 20 0 GDADMP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420407968 645942794 /nfs/dbraw/zinc/94/27/94/645942794.db2.gz VFIFZXWORHDLCW-UHFFFAOYSA-N 2 1 376.320 1.255 20 0 GDADMP COCC[NH+]1CCC([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000467412553 647642944 /nfs/dbraw/zinc/64/29/44/647642944.db2.gz SQPCMTOTKCJLFX-UHFFFAOYSA-N 2 1 389.949 1.709 20 0 GDADMP Brc1c[nH]c(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000921632084 660316752 /nfs/dbraw/zinc/31/67/52/660316752.db2.gz KJDJWZCONUEJKY-UHFFFAOYSA-N 2 1 379.306 1.869 20 0 GDADMP C[N@@H+]1CCN(CC[NH2+]Cc2ncc(I)s2)CC1(C)C ZINC000512399550 648403358 /nfs/dbraw/zinc/40/33/58/648403358.db2.gz LDEPIVIRVMLPKT-UHFFFAOYSA-N 2 1 394.326 1.863 20 0 GDADMP C[N@H+]1CCN(CC[NH2+]Cc2ncc(I)s2)CC1(C)C ZINC000512399550 648403360 /nfs/dbraw/zinc/40/33/60/648403360.db2.gz LDEPIVIRVMLPKT-UHFFFAOYSA-N 2 1 394.326 1.863 20 0 GDADMP C[NH2+][C@H]1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595919565 652426531 /nfs/dbraw/zinc/42/65/31/652426531.db2.gz KDPMINMJQRFQTP-ZETCQYMHSA-N 2 1 377.251 1.390 20 0 GDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000632953686 653416584 /nfs/dbraw/zinc/41/65/84/653416584.db2.gz TVVBGOYZSNNGGG-DGCLKSJQSA-N 2 1 397.321 1.549 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)n1C ZINC000760852085 655128007 /nfs/dbraw/zinc/12/80/07/655128007.db2.gz CHMRKVLFUROHGR-CYBMUJFWSA-N 2 1 377.942 1.110 20 0 GDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870856342 656250542 /nfs/dbraw/zinc/25/05/42/656250542.db2.gz VZLGOJKYBLQIAG-CVEARBPZSA-N 2 1 384.318 1.922 20 0 GDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)s3)C2)[C@@H]1C(C)C ZINC000922395573 656474132 /nfs/dbraw/zinc/47/41/32/656474132.db2.gz TZGLLTDBLYFAPD-JHNDHUHGSA-N 2 1 387.571 1.355 20 0 GDADMP C[N@@H+]1CC[C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000923636422 656578893 /nfs/dbraw/zinc/57/88/93/656578893.db2.gz XOCUDGBOEMHDEA-XJKSGUPXSA-N 2 1 390.912 1.212 20 0 GDADMP C[N@H+]1CC[C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000923636422 656578900 /nfs/dbraw/zinc/57/89/00/656578900.db2.gz XOCUDGBOEMHDEA-XJKSGUPXSA-N 2 1 390.912 1.212 20 0 GDADMP O=S(=O)(CC=C(Cl)Cl)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000881845523 656970369 /nfs/dbraw/zinc/97/03/69/656970369.db2.gz PVGMTILFBDAIKQ-UHFFFAOYSA-N 2 1 393.340 1.832 20 0 GDADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC[S@@](=O)C(F)(F)F)CC1 ZINC000929682764 656979334 /nfs/dbraw/zinc/97/93/34/656979334.db2.gz KBSIJQZGFKFOOV-RUZDIDTESA-N 2 1 385.496 1.671 20 0 GDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884180339 657333315 /nfs/dbraw/zinc/33/33/15/657333315.db2.gz VDFJPYXEYSGGPQ-CVEARBPZSA-N 2 1 384.318 1.922 20 0 GDADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](N)c2ccc(Br)cc2)C[C@H]1C[NH+](C)C ZINC000884453640 657358154 /nfs/dbraw/zinc/35/81/54/657358154.db2.gz VAWNBMUQTKHYCA-INMHGKMJSA-N 2 1 397.361 1.647 20 0 GDADMP C[NH+]1CCN(CCCC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894174041 658516462 /nfs/dbraw/zinc/51/64/62/658516462.db2.gz OCYUHCZZPHSUBZ-UHFFFAOYSA-N 2 1 387.981 1.750 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1Br ZINC000906727355 659576843 /nfs/dbraw/zinc/57/68/43/659576843.db2.gz PIPFCOGOPQLACW-NWANDNLSSA-N 2 1 395.301 1.458 20 0 GDADMP CC(C)[NH2+]CCCNC(=O)[C@H]([NH3+])c1ccccc1I ZINC000911763544 660018067 /nfs/dbraw/zinc/01/80/67/660018067.db2.gz ZHZRNFGBHZCALP-CYBMUJFWSA-N 2 1 375.254 1.795 20 0 GDADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001164404278 718862470 /nfs/dbraw/zinc/86/24/70/718862470.db2.gz PDUXNHAJEFUVEE-WIYYLYMNSA-N 2 1 379.508 1.850 20 0 GDADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001164404278 718862471 /nfs/dbraw/zinc/86/24/71/718862471.db2.gz PDUXNHAJEFUVEE-WIYYLYMNSA-N 2 1 379.508 1.850 20 0 GDADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2cncc(N3CC[NH2+]CC3)n2)cc1 ZINC001164624334 719081748 /nfs/dbraw/zinc/08/17/48/719081748.db2.gz LHOFGMWYSCLLSU-PMACEKPBSA-N 2 1 378.524 1.987 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(CN3CCOCC3)cn2)c2c1CC[NH2+]C2 ZINC001164685222 719606042 /nfs/dbraw/zinc/60/60/42/719606042.db2.gz SVMGUTQRYCJBPK-UHFFFAOYSA-N 2 1 384.528 1.585 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(CN3CCOCC3)cn2)c2c1CC[NH2+]C2 ZINC001164685222 719606047 /nfs/dbraw/zinc/60/60/47/719606047.db2.gz SVMGUTQRYCJBPK-UHFFFAOYSA-N 2 1 384.528 1.585 20 0 GDADMP COC(=O)Cc1c(Cl)ncnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682157 719615269 /nfs/dbraw/zinc/61/52/69/719615269.db2.gz BNWLXNUJXBNLQE-UHFFFAOYSA-N 2 1 392.891 1.517 20 0 GDADMP COC(=O)Cc1c(Cl)ncnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682157 719615273 /nfs/dbraw/zinc/61/52/73/719615273.db2.gz BNWLXNUJXBNLQE-UHFFFAOYSA-N 2 1 392.891 1.517 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2nnc(Cl)c3c2N(C)CCO3)c2c1CC[NH2+]C2 ZINC001164680152 719634751 /nfs/dbraw/zinc/63/47/51/719634751.db2.gz QFHFCAGIQKHALC-UHFFFAOYSA-N 2 1 391.907 1.630 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2nnc(Cl)c3c2N(C)CCO3)c2c1CC[NH2+]C2 ZINC001164680152 719634759 /nfs/dbraw/zinc/63/47/59/719634759.db2.gz QFHFCAGIQKHALC-UHFFFAOYSA-N 2 1 391.907 1.630 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164822037 720297046 /nfs/dbraw/zinc/29/70/46/720297046.db2.gz MLQKGAWZLJCWIP-QZTJIDSGSA-N 2 1 386.544 1.763 20 0 GDADMP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(N(C)C)[nH+]1 ZINC001164748947 720813788 /nfs/dbraw/zinc/81/37/88/720813788.db2.gz SBLOGQKYDMYVEZ-GBESFXJTSA-N 2 1 396.543 1.822 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164748947 720813789 /nfs/dbraw/zinc/81/37/89/720813789.db2.gz SBLOGQKYDMYVEZ-GBESFXJTSA-N 2 1 396.543 1.822 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164748947 720813790 /nfs/dbraw/zinc/81/37/90/720813790.db2.gz SBLOGQKYDMYVEZ-GBESFXJTSA-N 2 1 396.543 1.822 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]2C1 ZINC001164859586 720871456 /nfs/dbraw/zinc/87/14/56/720871456.db2.gz UOWXOWJMBDYOIZ-KDOFPFPSSA-N 2 1 380.920 1.554 20 0 GDADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001571265125 945501384 /nfs/dbraw/zinc/50/13/84/945501384.db2.gz DKCODAYSIKETGY-MSOLQXFVSA-N 2 1 385.516 1.630 20 0 GDADMP C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573713992 948469563 /nfs/dbraw/zinc/46/95/63/948469563.db2.gz COUGJXKQXSIDRP-INIZCTEOSA-N 2 1 385.516 1.679 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926490 949002718 /nfs/dbraw/zinc/00/27/18/949002718.db2.gz SFEVWYJEDZJOOZ-HNNXBMFYSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926490 949002734 /nfs/dbraw/zinc/00/27/34/949002734.db2.gz SFEVWYJEDZJOOZ-HNNXBMFYSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926490 949002750 /nfs/dbraw/zinc/00/27/50/949002750.db2.gz SFEVWYJEDZJOOZ-HNNXBMFYSA-N 2 1 387.532 1.781 20 0 GDADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574947543 949447489 /nfs/dbraw/zinc/44/74/89/949447489.db2.gz BXXGCKDGNUBEHK-CQSZACIVSA-N 2 1 382.472 1.481 20 0 GDADMP C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574716857 949711349 /nfs/dbraw/zinc/71/13/49/949711349.db2.gz RLPHURBRZUGJRC-UKRRQHHQSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574723943 949861022 /nfs/dbraw/zinc/86/10/22/949861022.db2.gz CEVKVWMSXJNBAJ-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576191034 950181059 /nfs/dbraw/zinc/18/10/59/950181059.db2.gz CPYMRUJFNVMPRI-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576192266 950234967 /nfs/dbraw/zinc/23/49/67/950234967.db2.gz LGSGMRVACIZZQL-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576205369 950511242 /nfs/dbraw/zinc/51/12/42/950511242.db2.gz YRXOEMGHFMQUKO-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576205369 950511261 /nfs/dbraw/zinc/51/12/61/950511261.db2.gz YRXOEMGHFMQUKO-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576205369 950511279 /nfs/dbraw/zinc/51/12/79/950511279.db2.gz YRXOEMGHFMQUKO-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576205397 950514585 /nfs/dbraw/zinc/51/45/85/950514585.db2.gz IKOMRKFAHGWLET-OLZOCXBDSA-N 2 1 377.518 1.254 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576205546 950526078 /nfs/dbraw/zinc/52/60/78/950526078.db2.gz ZYWIRSIRTWATQB-RDTXWAMCSA-N 2 1 383.500 1.193 20 0 GDADMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576206940 950585692 /nfs/dbraw/zinc/58/56/92/950585692.db2.gz ZSLBYUUNXBLNAO-CRAIPNDOSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576214951 950687348 /nfs/dbraw/zinc/68/73/48/950687348.db2.gz RTFIEKDQVDXDFR-ZVZYQTTQSA-N 2 1 383.500 1.193 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574524668 950867503 /nfs/dbraw/zinc/86/75/03/950867503.db2.gz YHZDFSWPEIHFSS-KBPBESRZSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079802 951698071 /nfs/dbraw/zinc/69/80/71/951698071.db2.gz OWMYTKBAYHJFQQ-DYVFJYSZSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089571 951750977 /nfs/dbraw/zinc/75/09/77/951750977.db2.gz GTPAGFFUEIZGLZ-KGLIPLIRSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575099423 951836165 /nfs/dbraw/zinc/83/61/65/951836165.db2.gz LQIUXHGOWFXGPR-ZIAGYGMSSA-N 2 1 391.545 1.739 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099639 951839912 /nfs/dbraw/zinc/83/99/12/951839912.db2.gz OGWOTKQSOSUREL-OUCADQQQSA-N 2 1 377.518 1.110 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575102423 951867613 /nfs/dbraw/zinc/86/76/13/951867613.db2.gz NBDYOPTZNJXBPO-IHRRRGAJSA-N 2 1 391.545 1.595 20 0 GDADMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104115 951882519 /nfs/dbraw/zinc/88/25/19/951882519.db2.gz BNPFEHPGOWRCRB-MAUKXSAKSA-N 2 1 385.516 1.583 20 0 GDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171775 952796792 /nfs/dbraw/zinc/79/67/92/952796792.db2.gz GHWLRALQRHRMCB-MRXNPFEDSA-N 2 1 380.456 1.010 20 0 GDADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1-c1nn[nH]n1)C2)[NH+](C)C ZINC001571233944 953197424 /nfs/dbraw/zinc/19/74/24/953197424.db2.gz IWDIFMQVXAEGIT-KRWDZBQOSA-N 2 1 383.500 1.241 20 0 GDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235327 953211732 /nfs/dbraw/zinc/21/17/32/953211732.db2.gz ZZZNCYYWLHQXAJ-FUHWJXTLSA-N 2 1 383.500 1.432 20 0 GDADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3cnc(N4CCOCC4)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424024 1126207045 /nfs/dbraw/zinc/20/70/45/1126207045.db2.gz WWLMJSKGUUCQOJ-LXZJYRNTSA-N 2 1 394.585 1.939 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)cnc1N ZINC000178949573 530731999 /nfs/dbraw/zinc/73/19/99/530731999.db2.gz WBTOQKDYZVPTFQ-CQSZACIVSA-N 2 1 389.953 1.354 20 0 GDADMP O=C(CC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1)N1CC[NH2+]CC1 ZINC000262000288 531104921 /nfs/dbraw/zinc/10/49/21/531104921.db2.gz DNKGBGJECAVNHK-MRXNPFEDSA-N 2 1 382.302 1.644 20 0 GDADMP O=C(CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1)N1CC[NH2+]CC1 ZINC000262000288 531104924 /nfs/dbraw/zinc/10/49/24/531104924.db2.gz DNKGBGJECAVNHK-MRXNPFEDSA-N 2 1 382.302 1.644 20 0 GDADMP Brc1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc2c1OCCO2 ZINC000262149016 531109860 /nfs/dbraw/zinc/10/98/60/531109860.db2.gz QYNSGEMFLMMAJM-AWEZNQCLSA-N 2 1 382.302 1.700 20 0 GDADMP Brc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc2c1OCCO2 ZINC000262149016 531109863 /nfs/dbraw/zinc/10/98/63/531109863.db2.gz QYNSGEMFLMMAJM-AWEZNQCLSA-N 2 1 382.302 1.700 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nn(C)cc1Br ZINC000293065427 531398698 /nfs/dbraw/zinc/39/86/98/531398698.db2.gz NUYCUNZVACINSX-CYBMUJFWSA-N 2 1 386.338 1.671 20 0 GDADMP C[C@]([NH3+])(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)cc1 ZINC000294122458 531463606 /nfs/dbraw/zinc/46/36/06/531463606.db2.gz PCEBXDMNAREEKP-WMLDXEAASA-N 2 1 397.317 1.079 20 0 GDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC12CCOCC2 ZINC000662570172 531689326 /nfs/dbraw/zinc/68/93/26/531689326.db2.gz HIRHFAAPQHQJEY-IUODEOHRSA-N 2 1 382.302 1.663 20 0 GDADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000666212251 531756014 /nfs/dbraw/zinc/75/60/14/531756014.db2.gz NJIGJGUFWJDKCT-UHFFFAOYSA-N 2 1 378.336 1.918 20 0 GDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000666239414 531756188 /nfs/dbraw/zinc/75/61/88/531756188.db2.gz IIVZGVPEOFRILW-CYBMUJFWSA-N 2 1 390.347 1.916 20 0 GDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000666239414 531756193 /nfs/dbraw/zinc/75/61/93/531756193.db2.gz IIVZGVPEOFRILW-CYBMUJFWSA-N 2 1 390.347 1.916 20 0 GDADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000666240164 531756727 /nfs/dbraw/zinc/75/67/27/531756727.db2.gz KIJSGSYYOXGZSD-CYBMUJFWSA-N 2 1 390.347 1.918 20 0 GDADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000666240164 531756735 /nfs/dbraw/zinc/75/67/35/531756735.db2.gz KIJSGSYYOXGZSD-CYBMUJFWSA-N 2 1 390.347 1.918 20 0 GDADMP C[NH2+][C@H]1CCN(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000667663971 531783339 /nfs/dbraw/zinc/78/33/39/531783339.db2.gz NDSBZBUZTAFYDI-ZDUSSCGKSA-N 2 1 397.321 1.422 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000667663934 531783286 /nfs/dbraw/zinc/78/32/86/531783286.db2.gz AROXNSQQZXXBCI-ZDUSSCGKSA-N 2 1 397.321 1.469 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NC/C=C\C[NH3+])CC1 ZINC000667663991 531783846 /nfs/dbraw/zinc/78/38/46/531783846.db2.gz XGFQFYRDFZJVOE-IHWYPQMZSA-N 2 1 383.294 1.232 20 0 GDADMP C[C@]1(C[NH3+])CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595950895 531895001 /nfs/dbraw/zinc/89/50/01/531895001.db2.gz NRWPDJRVIFIDII-CYBMUJFWSA-N 2 1 391.278 1.767 20 0 GDADMP Cc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000299610765 532008078 /nfs/dbraw/zinc/00/80/78/532008078.db2.gz XPFYNIJMRGFKLY-UHFFFAOYSA-N 2 1 380.539 1.942 20 0 GDADMP O[C@H](C[NH2+]CCOc1ccc(I)cc1)C[NH+]1CCCC1 ZINC000600740614 532052930 /nfs/dbraw/zinc/05/29/30/532052930.db2.gz JQTINIDHXXXVKY-CQSZACIVSA-N 2 1 390.265 1.716 20 0 GDADMP CN(C)CC[N@@H+](C)CCCN(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000289461370 532324947 /nfs/dbraw/zinc/32/49/47/532324947.db2.gz QCENTWYPWWUCTD-MRXNPFEDSA-N 2 1 385.350 1.791 20 0 GDADMP CN(CCCN(C)[C@@H](C(N)=O)c1cccc(Br)c1)CC[NH+](C)C ZINC000289461370 532324948 /nfs/dbraw/zinc/32/49/48/532324948.db2.gz QCENTWYPWWUCTD-MRXNPFEDSA-N 2 1 385.350 1.791 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825849213 607525340 /nfs/dbraw/zinc/52/53/40/607525340.db2.gz IPEJFACQPSMSFJ-FGTMMUONSA-N 2 1 399.499 1.379 20 0 GDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596191 606096883 /nfs/dbraw/zinc/09/68/83/606096883.db2.gz CAUFEBJXBMIXNW-MRXNPFEDSA-N 2 1 383.500 1.859 20 0 GDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596191 606096886 /nfs/dbraw/zinc/09/68/86/606096886.db2.gz CAUFEBJXBMIXNW-MRXNPFEDSA-N 2 1 383.500 1.859 20 0 GDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596191 606096892 /nfs/dbraw/zinc/09/68/92/606096892.db2.gz CAUFEBJXBMIXNW-MRXNPFEDSA-N 2 1 383.500 1.859 20 0 GDADMP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000821702430 606750855 /nfs/dbraw/zinc/75/08/55/606750855.db2.gz SRFZJMIWWSTMFK-UHFFFAOYSA-N 2 1 381.440 1.471 20 0 GDADMP C[C@@H]1C[NH+](CCCCCC[N@H+]2CC[S@](=O)C[C@@H](C)C2)CC[S@](=O)C1 ZINC000369730947 645656391 /nfs/dbraw/zinc/65/63/91/645656391.db2.gz HBEKNYNLBQTHIX-VBVDBJQASA-N 2 1 376.632 1.948 20 0 GDADMP C[C@@H]1C[N@H+](CCCCCC[NH+]2CC[S@](=O)C[C@@H](C)C2)CC[S@](=O)C1 ZINC000369730947 645656393 /nfs/dbraw/zinc/65/63/93/645656393.db2.gz HBEKNYNLBQTHIX-VBVDBJQASA-N 2 1 376.632 1.948 20 0 GDADMP C[C@@H]1C[N@@H+](CCCCCC[NH+]2CC[S@](=O)C[C@@H](C)C2)CC[S@](=O)C1 ZINC000369730947 645656398 /nfs/dbraw/zinc/65/63/98/645656398.db2.gz HBEKNYNLBQTHIX-VBVDBJQASA-N 2 1 376.632 1.948 20 0 GDADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000419773323 645931744 /nfs/dbraw/zinc/93/17/44/645931744.db2.gz HCXBNYQMYACJHL-NSHDSACASA-N 2 1 387.311 1.537 20 0 GDADMP C[C@H](CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[NH+](C)C ZINC000466811293 647618861 /nfs/dbraw/zinc/61/88/61/647618861.db2.gz FUJJBIISRXPLQX-LLVKDONJSA-N 2 1 385.306 1.516 20 0 GDADMP COc1sc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Br ZINC000470004132 647719239 /nfs/dbraw/zinc/71/92/39/647719239.db2.gz WCXNXRWFSVLZFY-JTQLQIEISA-N 2 1 376.320 1.806 20 0 GDADMP COc1sc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Br ZINC000470004132 647719242 /nfs/dbraw/zinc/71/92/42/647719242.db2.gz WCXNXRWFSVLZFY-JTQLQIEISA-N 2 1 376.320 1.806 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000470015939 647719759 /nfs/dbraw/zinc/71/97/59/647719759.db2.gz CHSIMQHDMWGNAG-NSHDSACASA-N 2 1 384.274 1.465 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000470015939 647719765 /nfs/dbraw/zinc/71/97/65/647719765.db2.gz CHSIMQHDMWGNAG-NSHDSACASA-N 2 1 384.274 1.465 20 0 GDADMP COc1cc(Br)c(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1O ZINC000470018295 647719874 /nfs/dbraw/zinc/71/98/74/647719874.db2.gz NIJSWFDUYHUHRF-LLVKDONJSA-N 2 1 386.290 1.450 20 0 GDADMP COc1cc(Br)c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1O ZINC000470018295 647719878 /nfs/dbraw/zinc/71/98/78/647719878.db2.gz NIJSWFDUYHUHRF-LLVKDONJSA-N 2 1 386.290 1.450 20 0 GDADMP CC(C)[C@H]([NH3+])CNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595924544 652427217 /nfs/dbraw/zinc/42/72/17/652427217.db2.gz MGGSKGCRCNXVHN-MRVPVSSYSA-N 2 1 379.267 1.669 20 0 GDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595951494 652429139 /nfs/dbraw/zinc/42/91/39/652429139.db2.gz RDFAVAZMHPGMOE-XPUUQOCRSA-N 2 1 377.251 1.518 20 0 GDADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000631917367 653269929 /nfs/dbraw/zinc/26/99/29/653269929.db2.gz ODIYKXDVLMFRSU-HNNXBMFYSA-N 2 1 386.587 1.478 20 0 GDADMP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+](C)CCC[NH3+])c1 ZINC000647849304 653636157 /nfs/dbraw/zinc/63/61/57/653636157.db2.gz ONMIOMQNJNVWDW-UHFFFAOYSA-N 2 1 376.910 1.200 20 0 GDADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000685326264 654817101 /nfs/dbraw/zinc/81/71/01/654817101.db2.gz VPCVAXMDDROEKN-OKILXGFUSA-N 2 1 389.949 1.966 20 0 GDADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765448384 655240563 /nfs/dbraw/zinc/24/05/63/655240563.db2.gz DNVZOIGLEPVUKQ-UONOGXRCSA-N 2 1 391.559 1.403 20 0 GDADMP CN1CC[NH+](C2CCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)CC2)CC1 ZINC000870981639 656259387 /nfs/dbraw/zinc/25/93/87/656259387.db2.gz NLKUJTKPMGFPQF-KRWDZBQOSA-N 2 1 395.345 1.687 20 0 GDADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)nn1 ZINC000923412852 656550772 /nfs/dbraw/zinc/55/07/72/656550772.db2.gz YQTORCXLFKYMIQ-KBPBESRZSA-N 2 1 386.283 1.730 20 0 GDADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)nn1 ZINC000923410549 656550818 /nfs/dbraw/zinc/55/08/18/656550818.db2.gz HSGUCVMQXKCUAQ-KGLIPLIRSA-N 2 1 386.283 1.730 20 0 GDADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)nn1 ZINC000923412854 656550886 /nfs/dbraw/zinc/55/08/86/656550886.db2.gz YQTORCXLFKYMIQ-UONOGXRCSA-N 2 1 386.283 1.730 20 0 GDADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000923484116 656555202 /nfs/dbraw/zinc/55/52/02/656555202.db2.gz VXZPLBXBVPGAJJ-CYBMUJFWSA-N 2 1 386.327 1.708 20 0 GDADMP [NH3+]C[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@@H]1C(F)(F)F ZINC000891411677 658236793 /nfs/dbraw/zinc/23/67/93/658236793.db2.gz ONRFSVSUGHCABA-OLZOCXBDSA-N 2 1 376.448 1.885 20 0 GDADMP [NH3+]C[C@@H]1CN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@@H]1C(F)(F)F ZINC000891411677 658236797 /nfs/dbraw/zinc/23/67/97/658236797.db2.gz ONRFSVSUGHCABA-OLZOCXBDSA-N 2 1 376.448 1.885 20 0 GDADMP Cn1nc(Br)nc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000894211869 658522629 /nfs/dbraw/zinc/52/26/29/658522629.db2.gz VFPWDHQWDXVQAJ-UHFFFAOYSA-N 2 1 394.321 1.275 20 0 GDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905286894 659440072 /nfs/dbraw/zinc/44/00/72/659440072.db2.gz SWYGGJYOBOBGEF-HOTGVXAUSA-N 2 1 375.579 1.309 20 0 GDADMP O=C1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC2(CC[NH2+]CC2)N1 ZINC001164388944 718809181 /nfs/dbraw/zinc/80/91/81/718809181.db2.gz FLYOFLKFBRBPEV-UHFFFAOYSA-N 2 1 392.507 1.093 20 0 GDADMP O=C1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC2(CC[NH2+]CC2)N1 ZINC001164388944 718809182 /nfs/dbraw/zinc/80/91/82/718809182.db2.gz FLYOFLKFBRBPEV-UHFFFAOYSA-N 2 1 392.507 1.093 20 0 GDADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164649736 719308511 /nfs/dbraw/zinc/30/85/11/719308511.db2.gz XOGKAFMVDWTTCJ-UHFFFAOYSA-N 2 1 384.532 1.288 20 0 GDADMP Cn1nnc2c1CCN(c1ccc3c([nH+]1)CCC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715897 720176908 /nfs/dbraw/zinc/17/69/08/720176908.db2.gz DEYKSINNDGFDLJ-LJQANCHMSA-N 2 1 382.512 1.915 20 0 GDADMP Cc1cnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1C1C[NH2+]C1 ZINC001164816836 720248623 /nfs/dbraw/zinc/24/86/23/720248623.db2.gz NEJZLGWVPVOOCQ-UHFFFAOYSA-N 2 1 397.527 1.279 20 0 GDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH+]ccc3c2NC(=O)CO3)CC1 ZINC001164830910 720320573 /nfs/dbraw/zinc/32/05/73/720320573.db2.gz QLWISCXKDWNHQZ-JKSUJKDBSA-N 2 1 399.495 1.324 20 0 GDADMP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]ccc4c3NC(=O)CO4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834988 720549397 /nfs/dbraw/zinc/54/93/97/720549397.db2.gz GKXNDJOEMCZTIA-IXDOHACOSA-N 2 1 396.495 1.987 20 0 GDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]ccc4c3NC(=O)CO4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834988 720549407 /nfs/dbraw/zinc/54/94/07/720549407.db2.gz GKXNDJOEMCZTIA-IXDOHACOSA-N 2 1 396.495 1.987 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4C[NH2+]CC5)C[C@H]3C2)cn1 ZINC001164762135 721075354 /nfs/dbraw/zinc/07/53/54/721075354.db2.gz COMZXFRDMMEBLL-LSDHHAIUSA-N 2 1 387.919 1.468 20 0 GDADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571282800 945862100 /nfs/dbraw/zinc/86/21/00/945862100.db2.gz RKFDVODYPCFSBR-HUUCEWRRSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571282800 945862108 /nfs/dbraw/zinc/86/21/08/945862108.db2.gz RKFDVODYPCFSBR-HUUCEWRRSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571282800 945862124 /nfs/dbraw/zinc/86/21/24/945862124.db2.gz RKFDVODYPCFSBR-HUUCEWRRSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571282800 945862139 /nfs/dbraw/zinc/86/21/39/945862139.db2.gz RKFDVODYPCFSBR-HUUCEWRRSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571294618 946140136 /nfs/dbraw/zinc/14/01/36/946140136.db2.gz JTRPRPRSJVRIDU-YUELXQCFSA-N 2 1 389.529 1.349 20 0 GDADMP O=C1CCCN1CCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826480431 948392459 /nfs/dbraw/zinc/39/24/59/948392459.db2.gz AZRQTSRRJJGZDT-UHFFFAOYSA-N 2 1 383.500 1.433 20 0 GDADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574432978 948945164 /nfs/dbraw/zinc/94/51/64/948945164.db2.gz RKDMSARNPKQNSZ-AWEZNQCLSA-N 2 1 382.472 1.481 20 0 GDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574704215 949376733 /nfs/dbraw/zinc/37/67/33/949376733.db2.gz BAOPCHMJLDSXNS-DZGCQCFKSA-N 2 1 391.545 1.738 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574724015 949863862 /nfs/dbraw/zinc/86/38/62/949863862.db2.gz DUVAGDXQTANKTF-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576192786 950266294 /nfs/dbraw/zinc/26/62/94/950266294.db2.gz OXJNJINDCLTSCZ-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001576198928 950420241 /nfs/dbraw/zinc/42/02/41/950420241.db2.gz WVPPEFOHDLYNLY-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576204962 950489281 /nfs/dbraw/zinc/48/92/81/950489281.db2.gz SWMHDPQQIDVVDT-ZDUSSCGKSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576205150 950495958 /nfs/dbraw/zinc/49/59/58/950495958.db2.gz VMAAQTBEXFTTQH-GJZGRUSLSA-N 2 1 383.500 1.145 20 0 GDADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576205265 950507706 /nfs/dbraw/zinc/50/77/06/950507706.db2.gz ICHFISSABDLVHN-YJBOKZPZSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576208463 950610250 /nfs/dbraw/zinc/61/02/50/950610250.db2.gz QQYNXUWLSYAIAP-KYJSFNMBSA-N 2 1 383.500 1.193 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574521806 950784480 /nfs/dbraw/zinc/78/44/80/950784480.db2.gz HYBJSFOIBSFXQF-UONOGXRCSA-N 2 1 391.495 1.719 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574524534 950863749 /nfs/dbraw/zinc/86/37/49/950863749.db2.gz XZCFIYRXZXKGNP-UONOGXRCSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077325 951666832 /nfs/dbraw/zinc/66/68/32/951666832.db2.gz FQTUPCPLVNTAEU-ZIAGYGMSSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079800 951697659 /nfs/dbraw/zinc/69/76/59/951697659.db2.gz OWMYTKBAYHJFQQ-CXAGYDPISA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001575099053 951830508 /nfs/dbraw/zinc/83/05/08/951830508.db2.gz HXPKIVUBZRGFBB-GFCCVEGCSA-N 2 1 377.518 1.349 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575099420 951834946 /nfs/dbraw/zinc/83/49/46/951834946.db2.gz LQIUXHGOWFXGPR-KBPBESRZSA-N 2 1 391.545 1.739 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102746 951871818 /nfs/dbraw/zinc/87/18/18/951871818.db2.gz PUEDQZHCCLXQOH-ZDUSSCGKSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106578 951905690 /nfs/dbraw/zinc/90/56/90/951905690.db2.gz SIFBMRZTHUMIKL-OAHLLOKOSA-N 2 1 387.532 1.687 20 0 GDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001571233732 953195189 /nfs/dbraw/zinc/19/51/89/953195189.db2.gz BXGUIHORBQTXPL-FGTMMUONSA-N 2 1 383.500 1.288 20 0 GDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[NH+]1C ZINC001571233732 953195192 /nfs/dbraw/zinc/19/51/92/953195192.db2.gz BXGUIHORBQTXPL-FGTMMUONSA-N 2 1 383.500 1.288 20 0 GDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[NH+]1C ZINC001571233732 953195193 /nfs/dbraw/zinc/19/51/93/953195193.db2.gz BXGUIHORBQTXPL-FGTMMUONSA-N 2 1 383.500 1.288 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571234685 953204276 /nfs/dbraw/zinc/20/42/76/953204276.db2.gz FUXXLGLTCRCNGV-HOTGVXAUSA-N 2 1 383.500 1.147 20 0 GDADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571234849 953206370 /nfs/dbraw/zinc/20/63/70/953206370.db2.gz KOIJDMHNGKFBHP-GOSISDBHSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001571235194 953209731 /nfs/dbraw/zinc/20/97/31/953209731.db2.gz WOLUNEZPXLRPMV-GOSISDBHSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001571235194 953209735 /nfs/dbraw/zinc/20/97/35/953209735.db2.gz WOLUNEZPXLRPMV-GOSISDBHSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001571235194 953209737 /nfs/dbraw/zinc/20/97/37/953209737.db2.gz WOLUNEZPXLRPMV-GOSISDBHSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)cn2)CC1 ZINC000865772965 1126117111 /nfs/dbraw/zinc/11/71/11/1126117111.db2.gz XFPGVUGPKSEWHE-FQEVSTJZSA-N 2 1 389.931 1.965 20 0 GDADMP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000261915667 531102021 /nfs/dbraw/zinc/10/20/21/531102021.db2.gz JOHZORLLXUCSHW-GVDBMIGSSA-N 2 1 396.329 1.926 20 0 GDADMP C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415787903 531529419 /nfs/dbraw/zinc/52/94/19/531529419.db2.gz LNNUSZIMDWLFOV-QWRGUYRKSA-N 2 1 385.310 1.453 20 0 GDADMP Cc1csc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000451149042 531555416 /nfs/dbraw/zinc/55/54/16/531555416.db2.gz RROXEPMRFVBPFI-UHFFFAOYSA-N 2 1 380.539 1.942 20 0 GDADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638130696 531643788 /nfs/dbraw/zinc/64/37/88/531643788.db2.gz HESPRXQNTRYOIQ-UHFFFAOYSA-N 2 1 389.587 1.966 20 0 GDADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638130696 531643796 /nfs/dbraw/zinc/64/37/96/531643796.db2.gz HESPRXQNTRYOIQ-UHFFFAOYSA-N 2 1 389.587 1.966 20 0 GDADMP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]([NH3+])c3ccccc3Br)C2)nn1 ZINC000662573512 531690474 /nfs/dbraw/zinc/69/04/74/531690474.db2.gz GFFOEHUAUDEGPZ-SWLSCSKDSA-N 2 1 393.289 1.363 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1Br ZINC000663610807 531715650 /nfs/dbraw/zinc/71/56/50/531715650.db2.gz FMNJQLRXWSUDPD-MRXNPFEDSA-N 2 1 383.290 1.317 20 0 GDADMP C(C[NH+]1CCS[C@@H]2COCC[C@H]21)OCC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000366372487 531743083 /nfs/dbraw/zinc/74/30/83/531743083.db2.gz RRBABBTXQKZXRY-XMTFNYHQSA-N 2 1 388.599 1.416 20 0 GDADMP C(C[NH+]1CCS[C@@H]2COCC[C@@H]21)OCC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000366372487 531743090 /nfs/dbraw/zinc/74/30/90/531743090.db2.gz RRBABBTXQKZXRY-XMTFNYHQSA-N 2 1 388.599 1.416 20 0 GDADMP C(C[NH+]1CCS[C@@H]2COCC[C@@H]21)OCC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000366372487 531743094 /nfs/dbraw/zinc/74/30/94/531743094.db2.gz RRBABBTXQKZXRY-XMTFNYHQSA-N 2 1 388.599 1.416 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000667663944 531783065 /nfs/dbraw/zinc/78/30/65/531783065.db2.gz HBSFHEKIDWVMKF-ZDUSSCGKSA-N 2 1 397.321 1.551 20 0 GDADMP CC[NH2+][C@H](C)CNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595950449 531895632 /nfs/dbraw/zinc/89/56/32/531895632.db2.gz LQYKSKADFMOVCU-SSDOTTSWSA-N 2 1 379.267 1.684 20 0 GDADMP CCN(CC[NH3+])C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000625892595 531918283 /nfs/dbraw/zinc/91/82/83/531918283.db2.gz QTJBTAJBWVHCMB-UHFFFAOYSA-N 2 1 385.310 1.408 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000429020594 532221494 /nfs/dbraw/zinc/22/14/94/532221494.db2.gz MHULZSHOSACWAY-HNNXBMFYSA-N 2 1 388.281 1.375 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738389007 599590162 /nfs/dbraw/zinc/59/01/62/599590162.db2.gz VHOMDHSVCZBJKY-MSOLQXFVSA-N 2 1 386.500 1.557 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738389007 599590163 /nfs/dbraw/zinc/59/01/63/599590163.db2.gz VHOMDHSVCZBJKY-MSOLQXFVSA-N 2 1 386.500 1.557 20 0 GDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000821623081 606926408 /nfs/dbraw/zinc/92/64/08/606926408.db2.gz BZUNFGXBURKKJC-GOSISDBHSA-N 2 1 385.516 1.347 20 0 GDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000821623081 606926410 /nfs/dbraw/zinc/92/64/10/606926410.db2.gz BZUNFGXBURKKJC-GOSISDBHSA-N 2 1 385.516 1.347 20 0 GDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625691 606989479 /nfs/dbraw/zinc/98/94/79/606989479.db2.gz UEHADFKUZIZCHR-TZMCWYRMSA-N 2 1 375.502 1.673 20 0 GDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625691 606989480 /nfs/dbraw/zinc/98/94/80/606989480.db2.gz UEHADFKUZIZCHR-TZMCWYRMSA-N 2 1 375.502 1.673 20 0 GDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625691 606989481 /nfs/dbraw/zinc/98/94/81/606989481.db2.gz UEHADFKUZIZCHR-TZMCWYRMSA-N 2 1 375.502 1.673 20 0 GDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625691 606989482 /nfs/dbraw/zinc/98/94/82/606989482.db2.gz UEHADFKUZIZCHR-TZMCWYRMSA-N 2 1 375.502 1.673 20 0 GDADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824576491 609333221 /nfs/dbraw/zinc/33/32/21/609333221.db2.gz BBVHJZJDJPQSDZ-AWEZNQCLSA-N 2 1 375.496 1.930 20 0 GDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(=O)(=O)c1cscn1 ZINC000516966833 648547191 /nfs/dbraw/zinc/54/71/91/648547191.db2.gz BEBXWTPJCBBOAV-UHFFFAOYSA-N 2 1 386.587 1.960 20 0 GDADMP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000779605350 654764919 /nfs/dbraw/zinc/76/49/19/654764919.db2.gz XYCNSIPJVRWHBF-QGZVFWFLSA-N 2 1 399.329 1.642 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)n1C ZINC000760852087 655127945 /nfs/dbraw/zinc/12/79/45/655127945.db2.gz CHMRKVLFUROHGR-ZDUSSCGKSA-N 2 1 377.942 1.110 20 0 GDADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765448382 655240629 /nfs/dbraw/zinc/24/06/29/655240629.db2.gz DNVZOIGLEPVUKQ-KBPBESRZSA-N 2 1 391.559 1.403 20 0 GDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000819004853 655383156 /nfs/dbraw/zinc/38/31/56/655383156.db2.gz UGEAXHYHWXBTTG-HOCLYGCPSA-N 2 1 384.318 1.660 20 0 GDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819004261 655383172 /nfs/dbraw/zinc/38/31/72/655383172.db2.gz LXXQVAMMKKHZPD-ZBFHGGJFSA-N 2 1 384.318 1.660 20 0 GDADMP C[Si](C)(CC[NH+]1CCSC[C@H]1CO)CC[N@H+]1CCSC[C@@H]1CO ZINC000859219679 655769928 /nfs/dbraw/zinc/76/99/28/655769928.db2.gz FKMCDWBJVFJRHD-IYBDPMFKSA-N 2 1 378.680 1.514 20 0 GDADMP C[Si](C)(CC[NH+]1CCSC[C@@H]1CO)CC[N@@H+]1CCSC[C@H]1CO ZINC000859219679 655769930 /nfs/dbraw/zinc/76/99/30/655769930.db2.gz FKMCDWBJVFJRHD-IYBDPMFKSA-N 2 1 378.680 1.514 20 0 GDADMP C[Si](C)(CC[NH+]1CCSC[C@@H]1CO)CC[N@H+]1CCSC[C@H]1CO ZINC000859219679 655769932 /nfs/dbraw/zinc/76/99/32/655769932.db2.gz FKMCDWBJVFJRHD-IYBDPMFKSA-N 2 1 378.680 1.514 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000868163215 656142414 /nfs/dbraw/zinc/14/24/14/656142414.db2.gz FVUCGQKWAYLBJB-BJHJDKERSA-N 2 1 397.321 1.455 20 0 GDADMP COC(=O)c1cc(Br)c(C[NH+]2CCC(O)(C[NH3+])CC2)cc1OC ZINC000923383188 656547874 /nfs/dbraw/zinc/54/78/74/656547874.db2.gz XXOBRZWJGHFTOH-UHFFFAOYSA-N 2 1 387.274 1.530 20 0 GDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@@H]1C[NH3+] ZINC000923383003 656547950 /nfs/dbraw/zinc/54/79/50/656547950.db2.gz PACWRYOYQROGHE-FXUDXRNXSA-N 2 1 375.579 1.293 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c(Cl)n(C)nc1C(F)(F)F)C2 ZINC000903492895 659317806 /nfs/dbraw/zinc/31/78/06/659317806.db2.gz KVUNZJRLJBINIO-QIBSRJKCSA-N 2 1 380.798 1.805 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c(Cl)n(C)nc1C(F)(F)F)C2 ZINC000903492895 659317809 /nfs/dbraw/zinc/31/78/09/659317809.db2.gz KVUNZJRLJBINIO-QIBSRJKCSA-N 2 1 380.798 1.805 20 0 GDADMP C[C@H](NC(=O)[C@H]([NH3+])c1ccccc1I)[C@@H]1CCC[NH2+]C1 ZINC000911724466 660017539 /nfs/dbraw/zinc/01/75/39/660017539.db2.gz CPTBALHNWFWYGX-MISXGVKJSA-N 2 1 387.265 1.795 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1cccc(Br)c1 ZINC000912304467 660032517 /nfs/dbraw/zinc/03/25/17/660032517.db2.gz QBONPJVKZMGYML-XJKSGUPXSA-N 2 1 386.334 1.871 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1cccc(Br)c1 ZINC000912304467 660032519 /nfs/dbraw/zinc/03/25/19/660032519.db2.gz QBONPJVKZMGYML-XJKSGUPXSA-N 2 1 386.334 1.871 20 0 GDADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)n1 ZINC001164424516 718915412 /nfs/dbraw/zinc/91/54/12/718915412.db2.gz NXKKDFKWINWVLL-IBGZPJMESA-N 2 1 380.920 1.916 20 0 GDADMP CC(C)N(c1ccnc(N2CC[NH+](C)CC2)n1)c1ncnc2c1CC[NH2+]CC2 ZINC001164659796 719344735 /nfs/dbraw/zinc/34/47/35/719344735.db2.gz DZHHRHSMXIFOGK-UHFFFAOYSA-N 2 1 382.516 1.253 20 0 GDADMP CCOC(=O)c1cc(Cl)nnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164686199 719613305 /nfs/dbraw/zinc/61/33/05/719613305.db2.gz ZHLPHFVDDKPWRU-UHFFFAOYSA-N 2 1 392.891 1.978 20 0 GDADMP CCOC(=O)c1cc(Cl)nnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164686199 719613309 /nfs/dbraw/zinc/61/33/09/719613309.db2.gz ZHLPHFVDDKPWRU-UHFFFAOYSA-N 2 1 392.891 1.978 20 0 GDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001164812405 720148734 /nfs/dbraw/zinc/14/87/34/720148734.db2.gz AKCXGETYBIHSPO-DENIHFKCSA-N 2 1 385.556 1.676 20 0 GDADMP c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2ccc(OC3CC[NH2+]CC3)nn2)c1 ZINC001164735904 720446705 /nfs/dbraw/zinc/44/67/05/720446705.db2.gz ZFYAFMBUDGMPLI-OALUTQOASA-N 2 1 380.496 1.856 20 0 GDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C4C[NH2+]C4)ncn3)CC[C@@H]21 ZINC001164840542 720652663 /nfs/dbraw/zinc/65/26/63/720652663.db2.gz NHBJZKZCFAGTLF-QRFRQXIXSA-N 2 1 381.528 1.738 20 0 GDADMP c1ncn(C[C@H]2C[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164752021 720861240 /nfs/dbraw/zinc/86/12/40/720861240.db2.gz SNTOEYPXIJIDSZ-ILZDJORESA-N 2 1 394.527 1.134 20 0 GDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(N3CC[NH2+]CC3)nn1)[C@@H]2C ZINC001164863113 720936998 /nfs/dbraw/zinc/93/69/98/720936998.db2.gz YBYBFQSBHVAPKN-MRXNPFEDSA-N 2 1 384.532 1.504 20 0 GDADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@@H+]3C2)c1 ZINC001164863509 721120689 /nfs/dbraw/zinc/12/06/89/721120689.db2.gz CMYMUAIWVORNRS-WOJBJXKFSA-N 2 1 395.507 1.793 20 0 GDADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@H+]3C2)c1 ZINC001164863509 721120700 /nfs/dbraw/zinc/12/07/00/721120700.db2.gz CMYMUAIWVORNRS-WOJBJXKFSA-N 2 1 395.507 1.793 20 0 GDADMP C(C1CC1)[N@@H+]1CCC2(CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C2)C1 ZINC001164768867 721297662 /nfs/dbraw/zinc/29/76/62/721297662.db2.gz IRXPWYAXLFLYPF-UHFFFAOYSA-N 2 1 383.544 1.994 20 0 GDADMP C(C1CC1)[N@H+]1CCC2(CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C2)C1 ZINC001164768867 721297665 /nfs/dbraw/zinc/29/76/65/721297665.db2.gz IRXPWYAXLFLYPF-UHFFFAOYSA-N 2 1 383.544 1.994 20 0 GDADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2ccc(N4CC[NH2+]CC4)nn2)CC3)c1 ZINC001164954700 722014789 /nfs/dbraw/zinc/01/47/89/722014789.db2.gz OJUOORITDUOUCV-UHFFFAOYSA-N 2 1 393.539 1.774 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575873738 949586029 /nfs/dbraw/zinc/58/60/29/949586029.db2.gz CDIKBUKWUONTGW-QAPCUYQASA-N 2 1 385.516 1.678 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574964267 949771260 /nfs/dbraw/zinc/77/12/60/949771260.db2.gz SQTQATROETUVCB-IPYPFGDCSA-N 2 1 389.479 1.330 20 0 GDADMP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574718461 949782783 /nfs/dbraw/zinc/78/27/83/949782783.db2.gz XOQONDQFMYWCGG-CRAIPNDOSA-N 2 1 385.516 1.678 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574150989 950051810 /nfs/dbraw/zinc/05/18/10/950051810.db2.gz ITFDHMMOQJOQLH-QZTJIDSGSA-N 2 1 385.516 1.581 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576192784 950265265 /nfs/dbraw/zinc/26/52/65/950265265.db2.gz OXJNJINDCLTSCZ-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576196946 950377451 /nfs/dbraw/zinc/37/74/51/950377451.db2.gz JWNOKONWRUYIID-RDJZCZTQSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576197423 950389437 /nfs/dbraw/zinc/38/94/37/950389437.db2.gz NJUFOCGCACOWKW-CABCVRRESA-N 2 1 384.488 1.031 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576198348 950405275 /nfs/dbraw/zinc/40/52/75/950405275.db2.gz SBIHACLVANNMDP-RDJZCZTQSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204109 950453370 /nfs/dbraw/zinc/45/33/70/950453370.db2.gz LWWUIXAHPQHSPJ-QRWLVFNGSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204109 950453380 /nfs/dbraw/zinc/45/33/80/950453380.db2.gz LWWUIXAHPQHSPJ-QRWLVFNGSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204109 950453395 /nfs/dbraw/zinc/45/33/95/950453395.db2.gz LWWUIXAHPQHSPJ-QRWLVFNGSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001576204122 950457225 /nfs/dbraw/zinc/45/72/25/950457225.db2.gz MHBIKEFUBAHILA-OAHLLOKOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576204799 950479353 /nfs/dbraw/zinc/47/93/53/950479353.db2.gz CORCUCHFHIJKDE-UONOGXRCSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC(C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205362 950515087 /nfs/dbraw/zinc/51/50/87/950515087.db2.gz YETQJKXCOGOGNH-HPUBIQBYSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576206818 950583178 /nfs/dbraw/zinc/58/31/78/950583178.db2.gz ZCPHYBZBSXEBMP-AWEZNQCLSA-N 2 1 389.479 1.286 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576206818 950583195 /nfs/dbraw/zinc/58/31/95/950583195.db2.gz ZCPHYBZBSXEBMP-AWEZNQCLSA-N 2 1 389.479 1.286 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576206818 950583211 /nfs/dbraw/zinc/58/32/11/950583211.db2.gz ZCPHYBZBSXEBMP-AWEZNQCLSA-N 2 1 389.479 1.286 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001574771825 950940629 /nfs/dbraw/zinc/94/06/29/950940629.db2.gz KWGIGUFJQFPHCZ-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574771825 950940648 /nfs/dbraw/zinc/94/06/48/950940648.db2.gz KWGIGUFJQFPHCZ-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574771825 950940667 /nfs/dbraw/zinc/94/06/67/950940667.db2.gz KWGIGUFJQFPHCZ-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077263 951664488 /nfs/dbraw/zinc/66/44/88/951664488.db2.gz BKJQBBQOTSBQMR-DYVFJYSZSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575077822 951674852 /nfs/dbraw/zinc/67/48/52/951674852.db2.gz ICVAHIISBNMWCA-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC001571169478 952773987 /nfs/dbraw/zinc/77/39/87/952773987.db2.gz DSHSWGUQCNKIMA-GUYCJALGSA-N 2 1 380.456 1.008 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234310 953200791 /nfs/dbraw/zinc/20/07/91/953200791.db2.gz UCVDWXOKNLABOE-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234310 953200792 /nfs/dbraw/zinc/20/07/92/953200792.db2.gz UCVDWXOKNLABOE-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234310 953200794 /nfs/dbraw/zinc/20/07/94/953200794.db2.gz UCVDWXOKNLABOE-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@H+]1C ZINC001571234624 953203846 /nfs/dbraw/zinc/20/38/46/953203846.db2.gz DJOKUPSKUHBURD-QGPMSJSTSA-N 2 1 383.500 1.145 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571234694 953204715 /nfs/dbraw/zinc/20/47/15/953204715.db2.gz GDXKLZHVLDLEEI-DOTOQJQBSA-N 2 1 383.500 1.145 20 0 GDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571234694 953204721 /nfs/dbraw/zinc/20/47/21/953204721.db2.gz GDXKLZHVLDLEEI-DOTOQJQBSA-N 2 1 383.500 1.145 20 0 GDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571234694 953204723 /nfs/dbraw/zinc/20/47/23/953204723.db2.gz GDXKLZHVLDLEEI-DOTOQJQBSA-N 2 1 383.500 1.145 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571234725 953205410 /nfs/dbraw/zinc/20/54/10/953205410.db2.gz GYVDWAWDACOJOA-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571235152 953209744 /nfs/dbraw/zinc/20/97/44/953209744.db2.gz VBXWOMGKHUVEIR-SZMVWBNQSA-N 2 1 383.500 1.335 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571235312 953211615 /nfs/dbraw/zinc/21/16/15/953211615.db2.gz ZVVZVNUDCKWJSK-AEFFLSMTSA-N 2 1 383.500 1.432 20 0 GDADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571235312 953211618 /nfs/dbraw/zinc/21/16/18/953211618.db2.gz ZVVZVNUDCKWJSK-AEFFLSMTSA-N 2 1 383.500 1.432 20 0 GDADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571235312 953211620 /nfs/dbraw/zinc/21/16/20/953211620.db2.gz ZVVZVNUDCKWJSK-AEFFLSMTSA-N 2 1 383.500 1.432 20 0 GDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252471 953328455 /nfs/dbraw/zinc/32/84/55/953328455.db2.gz NLNAKYKJJADGHT-GDBMZVCRSA-N 2 1 384.488 1.139 20 0 GDADMP COc1cc(Br)c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000262119006 531108925 /nfs/dbraw/zinc/10/89/25/531108925.db2.gz LRTBLVJBKINJRF-CYBMUJFWSA-N 2 1 384.318 1.946 20 0 GDADMP COc1cc(Br)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000262119006 531108927 /nfs/dbraw/zinc/10/89/27/531108927.db2.gz LRTBLVJBKINJRF-CYBMUJFWSA-N 2 1 384.318 1.946 20 0 GDADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)COc1ccccc1Br ZINC000484790273 531424230 /nfs/dbraw/zinc/42/42/30/531424230.db2.gz LGVWFZJLDIDGGH-MUIFIZLQSA-N 2 1 399.329 1.936 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1Br ZINC000415316695 531474850 /nfs/dbraw/zinc/47/48/50/531474850.db2.gz OKHGGQPIDHDHNU-ZDUSSCGKSA-N 2 1 383.290 1.317 20 0 GDADMP C[C@]([NH3+])(C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000294122455 531463474 /nfs/dbraw/zinc/46/34/74/531463474.db2.gz PCEBXDMNAREEKP-RHSMWYFYSA-N 2 1 397.317 1.079 20 0 GDADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414975729 531464150 /nfs/dbraw/zinc/46/41/50/531464150.db2.gz MMSYBXGCYLJBAD-KRWDZBQOSA-N 2 1 381.362 1.907 20 0 GDADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415622046 531504817 /nfs/dbraw/zinc/50/48/17/531504817.db2.gz XCTGNKLKYPHMES-XHDPSFHLSA-N 2 1 397.317 1.563 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000415826202 531537838 /nfs/dbraw/zinc/53/78/38/531537838.db2.gz AURHLNYXQBAFOE-WCQYABFASA-N 2 1 397.317 1.693 20 0 GDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)ccc1Cl ZINC000415838440 531540547 /nfs/dbraw/zinc/54/05/47/531540547.db2.gz NSMTZCMBKWIOEQ-LBPRGKRZSA-N 2 1 380.798 1.736 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1Br ZINC000659100074 531542877 /nfs/dbraw/zinc/54/28/77/531542877.db2.gz IWXXLAVUQQAUKQ-UHFFFAOYSA-N 2 1 395.301 1.399 20 0 GDADMP CN(C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000561036812 531675349 /nfs/dbraw/zinc/67/53/49/531675349.db2.gz BCZJUEBFBGJBFD-ZDUSSCGKSA-N 2 1 397.321 1.422 20 0 GDADMP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(I)cc1 ZINC000600736352 532052426 /nfs/dbraw/zinc/05/24/26/532052426.db2.gz XVGDXFCNMCUCHV-UHFFFAOYSA-N 2 1 377.226 1.137 20 0 GDADMP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(I)cc1 ZINC000600736352 532052432 /nfs/dbraw/zinc/05/24/32/532052432.db2.gz XVGDXFCNMCUCHV-UHFFFAOYSA-N 2 1 377.226 1.137 20 0 GDADMP O[C@@H](C[NH2+]CCOc1ccc(I)cc1)C[NH+]1CCCC1 ZINC000600740612 532053452 /nfs/dbraw/zinc/05/34/52/532053452.db2.gz JQTINIDHXXXVKY-AWEZNQCLSA-N 2 1 390.265 1.716 20 0 GDADMP Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000423111224 532071984 /nfs/dbraw/zinc/07/19/84/532071984.db2.gz QGWKCYKESQRZTO-OLZOCXBDSA-N 2 1 376.320 1.505 20 0 GDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](CO)c1cccc(Br)c1 ZINC000275218974 532277852 /nfs/dbraw/zinc/27/78/52/532277852.db2.gz JKZWGELYWOQAEP-MRXNPFEDSA-N 2 1 384.318 1.578 20 0 GDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](CO)c1cccc(Br)c1 ZINC000275218974 532277855 /nfs/dbraw/zinc/27/78/55/532277855.db2.gz JKZWGELYWOQAEP-MRXNPFEDSA-N 2 1 384.318 1.578 20 0 GDADMP C[C@@H]1C[C@H](Nc2ncnc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183569 604459922 /nfs/dbraw/zinc/45/99/22/604459922.db2.gz JDQTUHMVLAOTGS-LXTVHRRPSA-N 2 1 376.505 1.964 20 0 GDADMP C[C@@H]1C[C@H](Nc2ncnc(N[C@@H]3CC[NH+](C)[C@@H](C)C3)c2C(=O)[O-])CC[N@@H+]1C ZINC000828183569 604459924 /nfs/dbraw/zinc/45/99/24/604459924.db2.gz JDQTUHMVLAOTGS-LXTVHRRPSA-N 2 1 376.505 1.964 20 0 GDADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000825860000 608379340 /nfs/dbraw/zinc/37/93/40/608379340.db2.gz JSQGWADYDOFQIX-UHFFFAOYSA-N 2 1 377.518 1.921 20 0 GDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000535037719 650238622 /nfs/dbraw/zinc/23/86/22/650238622.db2.gz RFMDGTOZMBEXQZ-UHFFFAOYSA-N 2 1 380.495 1.551 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000131087045 644743422 /nfs/dbraw/zinc/74/34/22/644743422.db2.gz VKJSEYFDFXVJGQ-CYBMUJFWSA-N 2 1 377.942 1.110 20 0 GDADMP O=C1[C@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Br)c1 ZINC000420350201 645940807 /nfs/dbraw/zinc/94/08/07/645940807.db2.gz RZMBZPBMUHYJGN-DLBZAZTESA-N 2 1 393.329 1.534 20 0 GDADMP O=C1[C@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Br)c1 ZINC000420350201 645940810 /nfs/dbraw/zinc/94/08/10/645940810.db2.gz RZMBZPBMUHYJGN-DLBZAZTESA-N 2 1 393.329 1.534 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000470001498 647719252 /nfs/dbraw/zinc/71/92/52/647719252.db2.gz XFKQTZSNNJEEGM-GFCCVEGCSA-N 2 1 380.290 1.384 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000470001498 647719256 /nfs/dbraw/zinc/71/92/56/647719256.db2.gz XFKQTZSNNJEEGM-GFCCVEGCSA-N 2 1 380.290 1.384 20 0 GDADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000572379630 651095706 /nfs/dbraw/zinc/09/57/06/651095706.db2.gz MBMVDIWZMDLTEY-AAEUAGOBSA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000572379630 651095708 /nfs/dbraw/zinc/09/57/08/651095708.db2.gz MBMVDIWZMDLTEY-AAEUAGOBSA-N 2 1 381.274 1.022 20 0 GDADMP Brc1ccccc1-n1nnnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580312404 651911369 /nfs/dbraw/zinc/91/13/69/651911369.db2.gz NBFVMJIBHPPQEP-BETUJISGSA-N 2 1 377.290 1.856 20 0 GDADMP Brc1ccccc1-n1nnnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580312404 651911375 /nfs/dbraw/zinc/91/13/75/651911375.db2.gz NBFVMJIBHPPQEP-BETUJISGSA-N 2 1 377.290 1.856 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1Br ZINC000583563322 652041225 /nfs/dbraw/zinc/04/12/25/652041225.db2.gz PRKYGYQBQHBODA-AWEZNQCLSA-N 2 1 383.290 1.317 20 0 GDADMP C[C@@H]1C[C@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)CC[NH2+]1 ZINC000595951889 652429133 /nfs/dbraw/zinc/42/91/33/652429133.db2.gz VCPHVIFMETXLPA-HTQZYQBOSA-N 2 1 391.278 1.826 20 0 GDADMP O=C(c1sc2c(c1I)C[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602593519 652642342 /nfs/dbraw/zinc/64/23/42/652642342.db2.gz ZGSMZVUUSRLKNN-BQBZGAKWSA-N 2 1 375.235 1.142 20 0 GDADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000638061547 653535372 /nfs/dbraw/zinc/53/53/72/653535372.db2.gz IASBYXZUEQBDGT-UHFFFAOYSA-N 2 1 375.922 1.530 20 0 GDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638571152 653540536 /nfs/dbraw/zinc/54/05/36/653540536.db2.gz GLVKABOWWHIBMQ-LBPRGKRZSA-N 2 1 395.305 1.169 20 0 GDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638571152 653540539 /nfs/dbraw/zinc/54/05/39/653540539.db2.gz GLVKABOWWHIBMQ-LBPRGKRZSA-N 2 1 395.305 1.169 20 0 GDADMP C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CCN1CC[NH2+]CC1 ZINC000647835411 653635743 /nfs/dbraw/zinc/63/57/43/653635743.db2.gz XJFRIUBDYBZWJK-UHFFFAOYSA-N 2 1 387.297 1.754 20 0 GDADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(F)(F)F ZINC000655929974 653995139 /nfs/dbraw/zinc/99/51/39/653995139.db2.gz YSNIPYWDUOMMIZ-ZIAGYGMSSA-N 2 1 376.448 1.793 20 0 GDADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(F)(F)F ZINC000655929974 653995144 /nfs/dbraw/zinc/99/51/44/653995144.db2.gz YSNIPYWDUOMMIZ-ZIAGYGMSSA-N 2 1 376.448 1.793 20 0 GDADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000818614869 655377517 /nfs/dbraw/zinc/37/75/17/655377517.db2.gz HWROOWHBMXSAIT-DAXOMENPSA-N 2 1 389.543 1.333 20 0 GDADMP C[Si](C)(CC[NH+]1CCSC[C@H]1CO)CC[N@H+]1CCSC[C@H]1CO ZINC000859219678 655769906 /nfs/dbraw/zinc/76/99/06/655769906.db2.gz FKMCDWBJVFJRHD-HZPDHXFCSA-N 2 1 378.680 1.514 20 0 GDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)CC2)C1 ZINC000870888823 656252809 /nfs/dbraw/zinc/25/28/09/656252809.db2.gz QPQOWSYOYJHDTK-IRXDYDNUSA-N 2 1 395.345 1.687 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000923280664 656542444 /nfs/dbraw/zinc/54/24/44/656542444.db2.gz IKRIJZFQFKSZQZ-TZMCWYRMSA-N 2 1 390.311 1.520 20 0 GDADMP O=C([C@@H]1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)C1)N1CC[NH2+]CC1 ZINC000923281458 656542462 /nfs/dbraw/zinc/54/24/62/656542462.db2.gz FTOYBDDWJZUKTL-WBVHZDCISA-N 2 1 396.329 1.626 20 0 GDADMP Cc1nc(S(=O)(=O)N2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cs1 ZINC000923310793 656544022 /nfs/dbraw/zinc/54/40/22/656544022.db2.gz ASHQNGWMZHDFCJ-MQVJKMGUSA-N 2 1 384.571 1.679 20 0 GDADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)s1 ZINC000925488420 656713747 /nfs/dbraw/zinc/71/37/47/656713747.db2.gz CLANTSDJAZDJCF-CSAOUQSSSA-N 2 1 383.583 1.907 20 0 GDADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC[S@](=O)C(F)(F)F)CC1 ZINC000929682768 656979436 /nfs/dbraw/zinc/97/94/36/656979436.db2.gz KBSIJQZGFKFOOV-VWLOTQADSA-N 2 1 385.496 1.671 20 0 GDADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cn(C)nc2I)CC1 ZINC000894329447 658540193 /nfs/dbraw/zinc/54/01/93/658540193.db2.gz JOIPKUWANGQAJF-UHFFFAOYSA-N 2 1 392.285 1.350 20 0 GDADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164650395 719311757 /nfs/dbraw/zinc/31/17/57/719311757.db2.gz XRWRHZZODSHIPE-UHFFFAOYSA-N 2 1 384.532 1.288 20 0 GDADMP CNC(=O)C[N@H+]1CCCC12CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164683641 719728507 /nfs/dbraw/zinc/72/85/07/719728507.db2.gz BIYRQQQPWCPJOY-UHFFFAOYSA-N 2 1 386.544 1.014 20 0 GDADMP c1cncc(CO[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@H+]3C2)c1 ZINC001164867512 721045492 /nfs/dbraw/zinc/04/54/92/721045492.db2.gz JICINQRIQSFRPA-ROUUACIJSA-N 2 1 380.496 1.040 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4C[NH2+]CC5)C[C@@H]3C2)cn1 ZINC001164762132 721075447 /nfs/dbraw/zinc/07/54/47/721075447.db2.gz COMZXFRDMMEBLL-GJZGRUSLSA-N 2 1 387.919 1.468 20 0 GDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3c(nn2)CC[NH2+]C3)[C@H]2CCCO[C@H]12 ZINC001164807264 721566457 /nfs/dbraw/zinc/56/64/57/721566457.db2.gz SBQZIUYLYVFKON-ZVDOUQERSA-N 2 1 380.496 1.386 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3c(nn2)CC[NH2+]C3)[C@H]2CCCO[C@H]12 ZINC001164807264 721566459 /nfs/dbraw/zinc/56/64/59/721566459.db2.gz SBQZIUYLYVFKON-ZVDOUQERSA-N 2 1 380.496 1.386 20 0 GDADMP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164923990 721856798 /nfs/dbraw/zinc/85/67/98/721856798.db2.gz BIBFLMLQBULZJV-SJORKVTESA-N 2 1 378.952 1.812 20 0 GDADMP CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164923990 721856800 /nfs/dbraw/zinc/85/68/00/721856800.db2.gz BIBFLMLQBULZJV-SJORKVTESA-N 2 1 378.952 1.812 20 0 GDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281852 945817482 /nfs/dbraw/zinc/81/74/82/945817482.db2.gz AXYYGYVCTSGPIF-CABCVRRESA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281852 945817496 /nfs/dbraw/zinc/81/74/96/945817496.db2.gz AXYYGYVCTSGPIF-CABCVRRESA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281852 945817507 /nfs/dbraw/zinc/81/75/07/945817507.db2.gz AXYYGYVCTSGPIF-CABCVRRESA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281852 945817519 /nfs/dbraw/zinc/81/75/19/945817519.db2.gz AXYYGYVCTSGPIF-CABCVRRESA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282770 945863747 /nfs/dbraw/zinc/86/37/47/945863747.db2.gz QHSZVHYDSXIYPL-YOEHRIQHSA-N 2 1 387.463 1.181 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC[N@H+]1C ZINC001571294934 946147021 /nfs/dbraw/zinc/14/70/21/946147021.db2.gz MPFBAOGLZQEJHG-UMVBOHGHSA-N 2 1 389.529 1.349 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571295003 946149612 /nfs/dbraw/zinc/14/96/12/946149612.db2.gz NHFZKFWLBNHKJF-DOMZBBRYSA-N 2 1 389.529 1.349 20 0 GDADMP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000826513597 948437542 /nfs/dbraw/zinc/43/75/42/948437542.db2.gz PURVDFZMPHDIMA-WOJBJXKFSA-N 2 1 397.527 1.284 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574956982 949591250 /nfs/dbraw/zinc/59/12/50/949591250.db2.gz OVRMSFLQBPOTKC-UMVBOHGHSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574956982 949591269 /nfs/dbraw/zinc/59/12/69/949591269.db2.gz OVRMSFLQBPOTKC-UMVBOHGHSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574956982 949591292 /nfs/dbraw/zinc/59/12/92/949591292.db2.gz OVRMSFLQBPOTKC-UMVBOHGHSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574716156 949683261 /nfs/dbraw/zinc/68/32/61/949683261.db2.gz NJVUGQZQYIBNKD-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574740255 950226110 /nfs/dbraw/zinc/22/61/10/950226110.db2.gz CXDKNYGYOLFEKH-VKJFTORMSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576202563 950430182 /nfs/dbraw/zinc/43/01/82/950430182.db2.gz BBVBBXWCYVGVDH-KDOFPFPSSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001576205605 950528760 /nfs/dbraw/zinc/52/87/60/950528760.db2.gz KRQFVBVRWXEWKM-MRXNPFEDSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576205584 950530040 /nfs/dbraw/zinc/53/00/40/950530040.db2.gz KEEVNDSUWIHUGG-DOMZBBRYSA-N 2 1 389.529 1.254 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCC2)C1 ZINC001576206604 950576255 /nfs/dbraw/zinc/57/62/55/950576255.db2.gz YETOROYAUBXVRC-HNNXBMFYSA-N 2 1 383.500 1.337 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)C1 ZINC001576208069 950604569 /nfs/dbraw/zinc/60/45/69/950604569.db2.gz MBIAXZWPRCHXQF-FRQCXROJSA-N 2 1 397.527 1.393 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)C1 ZINC001576208069 950604582 /nfs/dbraw/zinc/60/45/82/950604582.db2.gz MBIAXZWPRCHXQF-FRQCXROJSA-N 2 1 397.527 1.393 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)C1 ZINC001576208069 950604599 /nfs/dbraw/zinc/60/45/99/950604599.db2.gz MBIAXZWPRCHXQF-FRQCXROJSA-N 2 1 397.527 1.393 20 0 GDADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574521251 950771376 /nfs/dbraw/zinc/77/13/76/950771376.db2.gz DOAOKDYAVNLZSV-CABCVRRESA-N 2 1 385.516 1.724 20 0 GDADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574523916 950842026 /nfs/dbraw/zinc/84/20/26/950842026.db2.gz SETVJRRJOGBQNW-CABCVRRESA-N 2 1 385.516 1.724 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079066 951687562 /nfs/dbraw/zinc/68/75/62/951687562.db2.gz PFZRTHWPXACITQ-CYBMUJFWSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100469 951844758 /nfs/dbraw/zinc/84/47/58/951844758.db2.gz SNZCTRQXFOZURQ-QWHCGFSZSA-N 2 1 377.518 1.112 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114110 951952899 /nfs/dbraw/zinc/95/28/99/951952899.db2.gz MWIPRZNVJWHZLX-OAHLLOKOSA-N 2 1 387.532 1.687 20 0 GDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115126 951963046 /nfs/dbraw/zinc/96/30/46/951963046.db2.gz UXDFTZRMYZKHQO-QAPCUYQASA-N 2 1 385.516 1.581 20 0 GDADMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CCC1 ZINC001571120431 952503943 /nfs/dbraw/zinc/50/39/43/952503943.db2.gz LJHVTWAMAVSXMR-LBPRGKRZSA-N 2 1 375.502 1.103 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571121140 952516186 /nfs/dbraw/zinc/51/61/86/952516186.db2.gz WXIBPFHOOZTGLV-CQSZACIVSA-N 2 1 375.502 1.103 20 0 GDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H]([NH2+]Cc1cnc(N3CCOCC3)s1)C2 ZINC001550423596 1126206719 /nfs/dbraw/zinc/20/67/19/1126206719.db2.gz PFYAWTYBYSFWMS-DWRORGKVSA-N 2 1 380.558 1.549 20 0 GDADMP O=S(=O)(c1ccc(F)c(F)c1F)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178958016 530732145 /nfs/dbraw/zinc/73/21/45/530732145.db2.gz VGEUBMIITRVMMM-UHFFFAOYSA-N 2 1 377.432 1.410 20 0 GDADMP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000261869017 531101576 /nfs/dbraw/zinc/10/15/76/531101576.db2.gz CYKKBORBKZVQLD-GVDBMIGSSA-N 2 1 396.329 1.926 20 0 GDADMP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000435735889 531269544 /nfs/dbraw/zinc/26/95/44/531269544.db2.gz REWKHXVJFRBFHG-JKSUJKDBSA-N 2 1 386.587 1.535 20 0 GDADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000435735889 531269546 /nfs/dbraw/zinc/26/95/46/531269546.db2.gz REWKHXVJFRBFHG-JKSUJKDBSA-N 2 1 386.587 1.535 20 0 GDADMP CCSc1nnc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)s1 ZINC000437649171 531300151 /nfs/dbraw/zinc/30/01/51/531300151.db2.gz IPGCENIBHBUODW-CYBMUJFWSA-N 2 1 386.591 2.530 20 0 GDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000414125048 531431527 /nfs/dbraw/zinc/43/15/27/531431527.db2.gz PXYMRYMLSZMVRW-GOEBONIOSA-N 2 1 386.334 1.682 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](CCO)Cc2cc(Br)cs2)C1 ZINC000414763267 531462652 /nfs/dbraw/zinc/46/26/52/531462652.db2.gz XGFUIMNCMCDHQJ-GFCCVEGCSA-N 2 1 390.347 1.502 20 0 GDADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415436754 531485725 /nfs/dbraw/zinc/48/57/25/531485725.db2.gz YSAQFOCTLFBXGB-CQSZACIVSA-N 2 1 399.333 1.939 20 0 GDADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415487376 531489672 /nfs/dbraw/zinc/48/96/72/531489672.db2.gz UCTFOWUKJZBWSP-UHFFFAOYSA-N 2 1 399.333 1.893 20 0 GDADMP C[NH2+]C[C@H](C)CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415784102 531529605 /nfs/dbraw/zinc/52/96/05/531529605.db2.gz GZSGSKYVVTWNMH-LBPRGKRZSA-N 2 1 399.337 1.573 20 0 GDADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000619725523 531716882 /nfs/dbraw/zinc/71/68/82/531716882.db2.gz VVEZRQGLECTVQF-LOWVWBTDSA-N 2 1 375.694 1.993 20 0 GDADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000619725523 531716889 /nfs/dbraw/zinc/71/68/89/531716889.db2.gz VVEZRQGLECTVQF-LOWVWBTDSA-N 2 1 375.694 1.993 20 0 GDADMP O=S(=O)(NCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1F ZINC000669618693 531818516 /nfs/dbraw/zinc/81/85/16/531818516.db2.gz LLPPRCRULDFBJN-KGLIPLIRSA-N 2 1 375.897 1.974 20 0 GDADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000623657255 531817616 /nfs/dbraw/zinc/81/76/16/531817616.db2.gz MGZBOBONPAYMGI-ZDUSSCGKSA-N 2 1 390.347 1.918 20 0 GDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000623657255 531817619 /nfs/dbraw/zinc/81/76/19/531817619.db2.gz MGZBOBONPAYMGI-ZDUSSCGKSA-N 2 1 390.347 1.918 20 0 GDADMP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)nc12 ZINC000564873323 531869896 /nfs/dbraw/zinc/86/98/96/531869896.db2.gz NAUMBEINQPFICL-MRXNPFEDSA-N 2 1 381.318 1.992 20 0 GDADMP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)nc12 ZINC000564873323 531869903 /nfs/dbraw/zinc/86/99/03/531869903.db2.gz NAUMBEINQPFICL-MRXNPFEDSA-N 2 1 381.318 1.992 20 0 GDADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000571755117 531954969 /nfs/dbraw/zinc/95/49/69/531954969.db2.gz VRGANIKERWLNAN-INIZCTEOSA-N 2 1 387.318 1.889 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000430617228 532252733 /nfs/dbraw/zinc/25/27/33/532252733.db2.gz KWVSNASNJFOMBT-CYBMUJFWSA-N 2 1 397.317 1.565 20 0 GDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821587314 607478884 /nfs/dbraw/zinc/47/88/84/607478884.db2.gz QWAXGHFAYVPLCK-UHFFFAOYSA-N 2 1 397.458 1.587 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000825849273 607525169 /nfs/dbraw/zinc/52/51/69/607525169.db2.gz JCIQVVFQCTUKBZ-ZTFGCOKTSA-N 2 1 399.499 1.379 20 0 GDADMP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567873439 650926229 /nfs/dbraw/zinc/92/62/29/650926229.db2.gz VVTPWNQBFICBOM-RHSMWYFYSA-N 2 1 385.346 1.953 20 0 GDADMP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000567873439 650926230 /nfs/dbraw/zinc/92/62/30/650926230.db2.gz VVTPWNQBFICBOM-RHSMWYFYSA-N 2 1 385.346 1.953 20 0 GDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cc(Br)ccc1F ZINC000104177700 644605319 /nfs/dbraw/zinc/60/53/19/644605319.db2.gz RKMOGJUGSBMTMU-UHFFFAOYSA-N 2 1 387.297 1.757 20 0 GDADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346456 645940721 /nfs/dbraw/zinc/94/07/21/645940721.db2.gz CWOGEKVGIBQRJC-KRWDZBQOSA-N 2 1 385.339 1.931 20 0 GDADMP O=C([C@H]1CCC[N@H+](CCOc2cccc(Br)c2)C1)N1CC[NH2+]CC1 ZINC000518979640 648616242 /nfs/dbraw/zinc/61/62/42/648616242.db2.gz PLHMBAUTOQYWOI-HNNXBMFYSA-N 2 1 396.329 1.972 20 0 GDADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1ccc(Br)cc1 ZINC000572363828 651095178 /nfs/dbraw/zinc/09/51/78/651095178.db2.gz JDAKHABYCITLLG-INIZCTEOSA-N 2 1 387.318 1.625 20 0 GDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301720 651987433 /nfs/dbraw/zinc/98/74/33/651987433.db2.gz RPWLEXJVYHLSSZ-LRDDRELGSA-N 2 1 389.309 1.784 20 0 GDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301720 651987436 /nfs/dbraw/zinc/98/74/36/651987436.db2.gz RPWLEXJVYHLSSZ-LRDDRELGSA-N 2 1 389.309 1.784 20 0 GDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccncc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000629516426 653168283 /nfs/dbraw/zinc/16/82/83/653168283.db2.gz FIPKYCAXVUGZOP-XJKSGUPXSA-N 2 1 381.318 1.924 20 0 GDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccncc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000629516426 653168284 /nfs/dbraw/zinc/16/82/84/653168284.db2.gz FIPKYCAXVUGZOP-XJKSGUPXSA-N 2 1 381.318 1.924 20 0 GDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3c(F)cncc3Br)C2)CC1 ZINC000631258927 653232678 /nfs/dbraw/zinc/23/26/78/653232678.db2.gz FOMVSIJDSDWUMV-NSHDSACASA-N 2 1 385.281 1.882 20 0 GDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3c(F)cncc3Br)C2)CC1 ZINC000631258927 653232681 /nfs/dbraw/zinc/23/26/81/653232681.db2.gz FOMVSIJDSDWUMV-NSHDSACASA-N 2 1 385.281 1.882 20 0 GDADMP O=C(CC[NH+]1CCC([NH2+]CCO)CC1)Nc1ccc(Br)cc1F ZINC000631864666 653261815 /nfs/dbraw/zinc/26/18/15/653261815.db2.gz QQEBWYMBHBGKQL-UHFFFAOYSA-N 2 1 388.281 1.963 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000633030946 653422157 /nfs/dbraw/zinc/42/21/57/653422157.db2.gz ABZLBLCPDMVFPP-OKILXGFUSA-N 2 1 395.301 1.412 20 0 GDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC[C@@H]1CCOC1 ZINC000645508636 653603458 /nfs/dbraw/zinc/60/34/58/653603458.db2.gz XMJCYYGJLCTVSY-QZTJIDSGSA-N 2 1 375.579 1.481 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC[C@@H]1CCOC1 ZINC000645508636 653603459 /nfs/dbraw/zinc/60/34/59/653603459.db2.gz XMJCYYGJLCTVSY-QZTJIDSGSA-N 2 1 375.579 1.481 20 0 GDADMP [NH3+]C1CC[NH+](CCc2cn(-c3ccc(I)cc3)nn2)CC1 ZINC000864621103 655903439 /nfs/dbraw/zinc/90/34/39/655903439.db2.gz CSBLXPYTGKBVLM-UHFFFAOYSA-N 2 1 397.264 1.838 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)nc1F ZINC000866688627 655954700 /nfs/dbraw/zinc/95/47/00/655954700.db2.gz UQNQECZIRAHAHL-CYBMUJFWSA-N 2 1 376.473 1.396 20 0 GDADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(Br)nn3C)C2)[C@@H]1C(C)C ZINC000922392990 656474083 /nfs/dbraw/zinc/47/40/83/656474083.db2.gz ISJBVLVVAPUHEO-HLSYRSCKSA-N 2 1 386.338 1.537 20 0 GDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(Br)nn3C)C2)[C@@H]1C(C)C ZINC000922392990 656474086 /nfs/dbraw/zinc/47/40/86/656474086.db2.gz ISJBVLVVAPUHEO-HLSYRSCKSA-N 2 1 386.338 1.537 20 0 GDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)s3)C2)[C@H]1C(C)C ZINC000922395574 656474167 /nfs/dbraw/zinc/47/41/67/656474167.db2.gz TZGLLTDBLYFAPD-MUIFIZLQSA-N 2 1 387.571 1.355 20 0 GDADMP CCOP(=O)(CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)OCC ZINC000876790063 656630777 /nfs/dbraw/zinc/63/07/77/656630777.db2.gz RGILPQFWWJHNQC-INIZCTEOSA-N 2 1 375.450 1.881 20 0 GDADMP CCOP(=O)(CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OCC ZINC000876790063 656630781 /nfs/dbraw/zinc/63/07/81/656630781.db2.gz RGILPQFWWJHNQC-INIZCTEOSA-N 2 1 375.450 1.881 20 0 GDADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](CO)c1cccc(Br)c1 ZINC000878328109 656718699 /nfs/dbraw/zinc/71/86/99/656718699.db2.gz AUIDHLVDVDTNLG-INIZCTEOSA-N 2 1 384.318 1.625 20 0 GDADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](CO)c1cccc(Br)c1 ZINC000878328109 656718704 /nfs/dbraw/zinc/71/87/04/656718704.db2.gz AUIDHLVDVDTNLG-INIZCTEOSA-N 2 1 384.318 1.625 20 0 GDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000894376947 658548297 /nfs/dbraw/zinc/54/82/97/658548297.db2.gz WWAORQVTOIVUFM-UHFFFAOYSA-N 2 1 381.322 1.609 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ncc(Br)cn1 ZINC000895666055 658718748 /nfs/dbraw/zinc/71/87/48/658718748.db2.gz JRCSRMJJONHUFY-LBPRGKRZSA-N 2 1 387.326 1.310 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ncc(Br)cn1 ZINC000895666055 658718753 /nfs/dbraw/zinc/71/87/53/658718753.db2.gz JRCSRMJJONHUFY-LBPRGKRZSA-N 2 1 387.326 1.310 20 0 GDADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164440731 718985168 /nfs/dbraw/zinc/98/51/68/718985168.db2.gz RKCMHSFRINJTPV-OIPACUDHSA-N 2 1 387.528 1.274 20 0 GDADMP COC(=O)c1cnc2nc[nH]c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c1-2 ZINC001164683594 719627220 /nfs/dbraw/zinc/62/72/20/719627220.db2.gz TVJQPICPPMUABW-UHFFFAOYSA-N 2 1 383.456 1.416 20 0 GDADMP COC(=O)c1cnc2nc[nH]c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c1-2 ZINC001164683594 719627224 /nfs/dbraw/zinc/62/72/24/719627224.db2.gz TVJQPICPPMUABW-UHFFFAOYSA-N 2 1 383.456 1.416 20 0 GDADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)C2 ZINC001164810580 720131450 /nfs/dbraw/zinc/13/14/50/720131450.db2.gz KDDIDQMDIULYCI-BTYIYWSLSA-N 2 1 399.495 1.929 20 0 GDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)C2 ZINC001164810580 720131461 /nfs/dbraw/zinc/13/14/61/720131461.db2.gz KDDIDQMDIULYCI-BTYIYWSLSA-N 2 1 399.495 1.929 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822628 720301137 /nfs/dbraw/zinc/30/11/37/720301137.db2.gz NSDGHGJWEJYPJM-ZWKOTPCHSA-N 2 1 382.512 1.880 20 0 GDADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(OC3CC[NH+](C)CC3)ccn2)C1 ZINC001164736372 720532415 /nfs/dbraw/zinc/53/24/15/720532415.db2.gz XCBZYVQDKVFZAH-QGZVFWFLSA-N 2 1 384.528 1.949 20 0 GDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncc5c(n4)C[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745031 720827639 /nfs/dbraw/zinc/82/76/39/720827639.db2.gz VYACCMHCAMBLJL-HHXXYDBFSA-N 2 1 380.500 1.051 20 0 GDADMP Clc1nc2c(c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164780190 721389727 /nfs/dbraw/zinc/38/97/27/721389727.db2.gz FLVCJTUAOLQAAB-TXEJJXNPSA-N 2 1 376.917 1.800 20 0 GDADMP Clc1nc2c(c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164780190 721389730 /nfs/dbraw/zinc/38/97/30/721389730.db2.gz FLVCJTUAOLQAAB-TXEJJXNPSA-N 2 1 376.917 1.800 20 0 GDADMP C[NH+](C)Cc1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164888693 721442953 /nfs/dbraw/zinc/44/29/53/721442953.db2.gz AKMXLGDSLCMLNL-UNMCSNQZSA-N 2 1 387.572 1.909 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[C@H]3C2)c1 ZINC001164980762 722105084 /nfs/dbraw/zinc/10/50/84/722105084.db2.gz KHUHQTTYNKDADR-PXNSSMCTSA-N 2 1 380.496 1.245 20 0 GDADMP CC(C)[C@@H](C(=O)N1CCC[C@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571272478 945663507 /nfs/dbraw/zinc/66/35/07/945663507.db2.gz UEMDMWUNDKFNGM-YOEHRIQHSA-N 2 1 386.504 1.275 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282681 945860055 /nfs/dbraw/zinc/86/00/55/945860055.db2.gz NQIYOKLWHKSDKS-PBHICJAKSA-N 2 1 387.463 1.181 20 0 GDADMP C[C@H](C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573673914 948115748 /nfs/dbraw/zinc/11/57/48/948115748.db2.gz MDMMMIXYOVXVEY-CABCVRRESA-N 2 1 384.488 1.221 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574704159 949368764 /nfs/dbraw/zinc/36/87/64/949368764.db2.gz ABMSWYZUJNCLDC-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574947838 949451512 /nfs/dbraw/zinc/45/15/12/949451512.db2.gz DVNXERZEWQKNER-CQSZACIVSA-N 2 1 382.472 1.481 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574706834 949462159 /nfs/dbraw/zinc/46/21/59/949462159.db2.gz MYFBZTYYDXHNGV-WBMJQRKESA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575872383 949543640 /nfs/dbraw/zinc/54/36/40/949543640.db2.gz IRQBWJAYAYEXTH-UKRRQHHQSA-N 2 1 384.488 1.077 20 0 GDADMP C[C@H](NC(=O)CCC[NH+](C)C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575274118 949678455 /nfs/dbraw/zinc/67/84/55/949678455.db2.gz YUPCKWRBFRPWGX-ZDUSSCGKSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574716158 949685016 /nfs/dbraw/zinc/68/50/16/949685016.db2.gz NJVUGQZQYIBNKD-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574717752 949741912 /nfs/dbraw/zinc/74/19/12/949741912.db2.gz XBGMRPBWVLMYHH-QWHCGFSZSA-N 2 1 377.518 1.207 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574723637 949851646 /nfs/dbraw/zinc/85/16/46/949851646.db2.gz AFLSGQAXEXPDHV-ZDUSSCGKSA-N 2 1 377.468 1.283 20 0 GDADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575285906 949962143 /nfs/dbraw/zinc/96/21/43/949962143.db2.gz RQUKTTKCXCSCBH-AWEZNQCLSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192790 950265063 /nfs/dbraw/zinc/26/50/63/950265063.db2.gz OYKUGLUFNVRSLN-QAPCUYQASA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192790 950265083 /nfs/dbraw/zinc/26/50/83/950265083.db2.gz OYKUGLUFNVRSLN-QAPCUYQASA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192790 950265107 /nfs/dbraw/zinc/26/51/07/950265107.db2.gz OYKUGLUFNVRSLN-QAPCUYQASA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192790 950265127 /nfs/dbraw/zinc/26/51/27/950265127.db2.gz OYKUGLUFNVRSLN-QAPCUYQASA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194498 950348748 /nfs/dbraw/zinc/34/87/48/950348748.db2.gz ZKYQKFIAAVNXRR-CRAIPNDOSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194498 950348767 /nfs/dbraw/zinc/34/87/67/950348767.db2.gz ZKYQKFIAAVNXRR-CRAIPNDOSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194498 950348787 /nfs/dbraw/zinc/34/87/87/950348787.db2.gz ZKYQKFIAAVNXRR-CRAIPNDOSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196402 950360429 /nfs/dbraw/zinc/36/04/29/950360429.db2.gz COFQJCOIZONVLH-RDJZCZTQSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196455 950367975 /nfs/dbraw/zinc/36/79/75/950367975.db2.gz DZSDTVQWWZTLJN-CRAIPNDOSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196455 950367996 /nfs/dbraw/zinc/36/79/96/950367996.db2.gz DZSDTVQWWZTLJN-CRAIPNDOSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196455 950368014 /nfs/dbraw/zinc/36/80/14/950368014.db2.gz DZSDTVQWWZTLJN-CRAIPNDOSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576196983 950375376 /nfs/dbraw/zinc/37/53/76/950375376.db2.gz KXCKFLQWHWTLAL-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576196984 950378100 /nfs/dbraw/zinc/37/81/00/950378100.db2.gz KXCKFLQWHWTLAL-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576197433 950388738 /nfs/dbraw/zinc/38/87/38/950388738.db2.gz NMZGTPRBMTYYPE-ZIAGYGMSSA-N 2 1 389.529 1.351 20 0 GDADMP CC(C)N(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576198838 950414950 /nfs/dbraw/zinc/41/49/50/950414950.db2.gz VTPLOKYFKBUMQV-HNNXBMFYSA-N 2 1 386.504 1.277 20 0 GDADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576205307 950506698 /nfs/dbraw/zinc/50/66/98/950506698.db2.gz WWQIOIPNODNJSO-HDMKZQKVSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576205544 950522185 /nfs/dbraw/zinc/52/21/85/950522185.db2.gz ZYWIRSIRTWATQB-KDOFPFPSSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077264 951664820 /nfs/dbraw/zinc/66/48/20/951664820.db2.gz BKJQBBQOTSBQMR-GUYCJALGSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575079846 951697570 /nfs/dbraw/zinc/69/75/70/951697570.db2.gz HIFDAKSMMMZTCA-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001575080105 951704936 /nfs/dbraw/zinc/70/49/36/951704936.db2.gz UWPFQDKNAMVMEF-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575090612 951762576 /nfs/dbraw/zinc/76/25/76/951762576.db2.gz KWAUANZIUJHIAJ-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575091643 951780740 /nfs/dbraw/zinc/78/07/40/951780740.db2.gz TUMZPBIJUJNCTO-DZGCQCFKSA-N 2 1 389.479 1.284 20 0 GDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098702 951825041 /nfs/dbraw/zinc/82/50/41/951825041.db2.gz FGCODEDJOBTPCO-HIFRSBDPSA-N 2 1 391.545 1.643 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575105455 951893176 /nfs/dbraw/zinc/89/31/76/951893176.db2.gz JVVXYXOGBFFSBT-ZFWWWQNUSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575105452 951893765 /nfs/dbraw/zinc/89/37/65/951893765.db2.gz JVVXYXOGBFFSBT-DZGCQCFKSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108344 951924017 /nfs/dbraw/zinc/92/40/17/951924017.db2.gz LNOFVSLGTMMPNT-MPGHIAIKSA-N 2 1 385.516 1.439 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169479 952773904 /nfs/dbraw/zinc/77/39/04/952773904.db2.gz DSHSWGUQCNKIMA-SUMWQHHRSA-N 2 1 380.456 1.008 20 0 GDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234051 953198418 /nfs/dbraw/zinc/19/84/18/953198418.db2.gz LXYWINCXPMBAPE-GOSISDBHSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001571234881 953206114 /nfs/dbraw/zinc/20/61/14/953206114.db2.gz LLDLCLOJEHIHNQ-UWWQBHOKSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@H+]1C ZINC001571235173 953209368 /nfs/dbraw/zinc/20/93/68/953209368.db2.gz VWVZCWPGZVFCKG-WBAXXEDZSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[NH+]1C ZINC001571235173 953209371 /nfs/dbraw/zinc/20/93/71/953209371.db2.gz VWVZCWPGZVFCKG-WBAXXEDZSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[NH+]1C ZINC001571235173 953209373 /nfs/dbraw/zinc/20/93/73/953209373.db2.gz VWVZCWPGZVFCKG-WBAXXEDZSA-N 2 1 383.500 1.288 20 0 GDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571251387 953316760 /nfs/dbraw/zinc/31/67/60/953316760.db2.gz WWMZVLSBJSRVMO-WMLDXEAASA-N 2 1 384.488 1.221 20 0 GDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571251387 953316765 /nfs/dbraw/zinc/31/67/65/953316765.db2.gz WWMZVLSBJSRVMO-WMLDXEAASA-N 2 1 384.488 1.221 20 0 GDADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC000411503942 531325946 /nfs/dbraw/zinc/32/59/46/531325946.db2.gz KZNFVQIRFOWCLY-MRXNPFEDSA-N 2 1 384.318 1.673 20 0 GDADMP C[C@@]([NH3+])(C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000294122451 531463424 /nfs/dbraw/zinc/46/34/24/531463424.db2.gz PCEBXDMNAREEKP-PBHICJAKSA-N 2 1 397.317 1.079 20 0 GDADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000415560501 531495346 /nfs/dbraw/zinc/49/53/46/531495346.db2.gz FWKSOSWZRBJJLE-VXGBXAGGSA-N 2 1 397.317 1.645 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415645356 531506169 /nfs/dbraw/zinc/50/61/69/531506169.db2.gz LNGZVPHAAMAZNO-OLZOCXBDSA-N 2 1 397.317 1.835 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl ZINC000638668732 531663750 /nfs/dbraw/zinc/66/37/50/531663750.db2.gz LXGONOHLPQTMEB-AWEZNQCLSA-N 2 1 387.933 1.578 20 0 GDADMP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178566 531684934 /nfs/dbraw/zinc/68/49/34/531684934.db2.gz MKQAGEOFLJAJQM-SMDDNHRTSA-N 2 1 390.347 1.869 20 0 GDADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178566 531684940 /nfs/dbraw/zinc/68/49/40/531684940.db2.gz MKQAGEOFLJAJQM-SMDDNHRTSA-N 2 1 390.347 1.869 20 0 GDADMP C[NH+](C)CCOCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000562498720 531759711 /nfs/dbraw/zinc/75/97/11/531759711.db2.gz IEXFRIQZVMDSFN-AWEZNQCLSA-N 2 1 391.331 1.835 20 0 GDADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595948356 531895311 /nfs/dbraw/zinc/89/53/11/531895311.db2.gz QVZMXEKBCRHHJJ-JGVFFNPUSA-N 2 1 391.278 1.778 20 0 GDADMP C[C@@H](CCC[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595948919 531895506 /nfs/dbraw/zinc/89/55/06/531895506.db2.gz CORIXGPNFPMZIO-ZETCQYMHSA-N 2 1 379.267 1.813 20 0 GDADMP CC(C)(CC[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595964570 531901180 /nfs/dbraw/zinc/90/11/80/531901180.db2.gz SEBVVPFSPZMVEI-UHFFFAOYSA-N 2 1 379.267 1.813 20 0 GDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456581530 531922083 /nfs/dbraw/zinc/92/20/83/531922083.db2.gz LAQNNVMQNIEXKH-OCCSQVGLSA-N 2 1 396.333 1.732 20 0 GDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456581530 531922091 /nfs/dbraw/zinc/92/20/91/531922091.db2.gz LAQNNVMQNIEXKH-OCCSQVGLSA-N 2 1 396.333 1.732 20 0 GDADMP CN(C)CC[N@@H+](C)CCCN(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000289461367 532325129 /nfs/dbraw/zinc/32/51/29/532325129.db2.gz QCENTWYPWWUCTD-INIZCTEOSA-N 2 1 385.350 1.791 20 0 GDADMP CN(CCCN(C)[C@H](C(N)=O)c1cccc(Br)c1)CC[NH+](C)C ZINC000289461367 532325131 /nfs/dbraw/zinc/32/51/31/532325131.db2.gz QCENTWYPWWUCTD-INIZCTEOSA-N 2 1 385.350 1.791 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737521822 598852597 /nfs/dbraw/zinc/85/25/97/598852597.db2.gz CECPGVXRZCXCPG-INIZCTEOSA-N 2 1 393.499 1.809 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737521822 598852598 /nfs/dbraw/zinc/85/25/98/598852598.db2.gz CECPGVXRZCXCPG-INIZCTEOSA-N 2 1 393.499 1.809 20 0 GDADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)c1 ZINC000736510237 598285747 /nfs/dbraw/zinc/28/57/47/598285747.db2.gz SISGWCZCVCXIOT-UHFFFAOYSA-N 2 1 377.456 1.651 20 0 GDADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822991767 599691413 /nfs/dbraw/zinc/69/14/13/599691413.db2.gz FWUSGICNKWPOKS-UHFFFAOYSA-N 2 1 399.499 1.382 20 0 GDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000568108836 650937323 /nfs/dbraw/zinc/93/73/23/650937323.db2.gz OVLXCLBFRGQHEE-KGLIPLIRSA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000568108836 650937327 /nfs/dbraw/zinc/93/73/27/650937327.db2.gz OVLXCLBFRGQHEE-KGLIPLIRSA-N 2 1 381.274 1.022 20 0 GDADMP C[C@H]1CN(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000515616546 648502049 /nfs/dbraw/zinc/50/20/49/648502049.db2.gz BEYIQQMCADJLTP-LBPRGKRZSA-N 2 1 397.321 1.422 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCC2([NH3+])CCC2)CC1 ZINC000520200990 648645480 /nfs/dbraw/zinc/64/54/80/648645480.db2.gz NHUAOTXYCDNUHK-UHFFFAOYSA-N 2 1 397.321 1.599 20 0 GDADMP C[N@H+]1CCC[C@H](CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000602473656 652639003 /nfs/dbraw/zinc/63/90/03/652639003.db2.gz CBWNZRDTDOCZDH-YHSMVDSJSA-N 2 1 383.583 1.748 20 0 GDADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000633039502 653423435 /nfs/dbraw/zinc/42/34/35/653423435.db2.gz LEHLPMGMZRWHIV-JQWIXIFHSA-N 2 1 383.290 1.397 20 0 GDADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662756510 654302032 /nfs/dbraw/zinc/30/20/32/654302032.db2.gz IJMWHBZZHYZJJY-BBRMVZONSA-N 2 1 383.334 1.591 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(n2cc(Br)cn2)CC1 ZINC000824826254 655481049 /nfs/dbraw/zinc/48/10/49/655481049.db2.gz GYKASKIFLBIVQX-ZDUSSCGKSA-N 2 1 386.338 1.523 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(n2cc(Br)cn2)CC1 ZINC000824826254 655481050 /nfs/dbraw/zinc/48/10/50/655481050.db2.gz GYKASKIFLBIVQX-ZDUSSCGKSA-N 2 1 386.338 1.523 20 0 GDADMP [NH3+]C[C@@H]1CCCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000852795327 655622669 /nfs/dbraw/zinc/62/26/69/655622669.db2.gz XEWSXFIPQBUEOS-QMMMGPOBSA-N 2 1 391.278 1.767 20 0 GDADMP COc1ncc(Br)cc1CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000853685415 655647365 /nfs/dbraw/zinc/64/73/65/655647365.db2.gz IFHHQNSZZRIOSZ-ZDUSSCGKSA-N 2 1 387.278 1.960 20 0 GDADMP COc1ncc(Br)cc1CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000853685415 655647367 /nfs/dbraw/zinc/64/73/67/655647367.db2.gz IFHHQNSZZRIOSZ-ZDUSSCGKSA-N 2 1 387.278 1.960 20 0 GDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870856348 656250550 /nfs/dbraw/zinc/25/05/50/656250550.db2.gz VZLGOJKYBLQIAG-HZPDHXFCSA-N 2 1 384.318 1.922 20 0 GDADMP C[N@@H+](CCOCC[NH3+])C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923403418 656549694 /nfs/dbraw/zinc/54/96/94/656549694.db2.gz PNNHFYRGUXCQEK-LBPRGKRZSA-N 2 1 381.698 1.749 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923414155 656551139 /nfs/dbraw/zinc/55/11/39/656551139.db2.gz KNHCHHLGYWEKRC-MPESAESLSA-N 2 1 386.279 1.894 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923414155 656551146 /nfs/dbraw/zinc/55/11/46/656551146.db2.gz KNHCHHLGYWEKRC-MPESAESLSA-N 2 1 386.279 1.894 20 0 GDADMP CC(C)CC[NH+]1CCC([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000925395116 656709906 /nfs/dbraw/zinc/70/99/06/656709906.db2.gz ZLRVYCHEZFXDJW-SFHVURJKSA-N 2 1 375.579 1.575 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1)[NH+]1CC[C@@H]2CSC[C@H]2C1 ZINC000931551094 657106450 /nfs/dbraw/zinc/10/64/50/657106450.db2.gz VKSRICTUSGNUHE-HSFUPAIVSA-N 2 1 383.627 1.861 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H]2CSC[C@@H]2C1)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000931551094 657106452 /nfs/dbraw/zinc/10/64/52/657106452.db2.gz VKSRICTUSGNUHE-HSFUPAIVSA-N 2 1 383.627 1.861 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H]2CSC[C@@H]2C1)[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000931551094 657106454 /nfs/dbraw/zinc/10/64/54/657106454.db2.gz VKSRICTUSGNUHE-HSFUPAIVSA-N 2 1 383.627 1.861 20 0 GDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884180341 657333029 /nfs/dbraw/zinc/33/30/29/657333029.db2.gz VDFJPYXEYSGGPQ-HZPDHXFCSA-N 2 1 384.318 1.922 20 0 GDADMP CC1(C)[C@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C[C@@H]1[NH3+] ZINC000884362528 657350358 /nfs/dbraw/zinc/35/03/58/657350358.db2.gz MVRYTWALDHIRRF-DTWKUNHWSA-N 2 1 391.278 1.812 20 0 GDADMP Cn1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c(I)n1 ZINC000894374467 658547393 /nfs/dbraw/zinc/54/73/93/658547393.db2.gz AILUCSLXKMCMSH-UHFFFAOYSA-N 2 1 391.301 1.142 20 0 GDADMP Brc1cnn(C2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903908287 659389274 /nfs/dbraw/zinc/38/92/74/659389274.db2.gz GDDXORFIGOBLTD-HNNXBMFYSA-N 2 1 394.321 1.999 20 0 GDADMP Cc1c[nH]c2nc[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c12 ZINC001164712336 720164991 /nfs/dbraw/zinc/16/49/91/720164991.db2.gz FRSQPYNRXOVWLW-MRXNPFEDSA-N 2 1 396.499 1.611 20 0 GDADMP C[NH+]1CCN(c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nn2)CC1 ZINC001164729782 720338377 /nfs/dbraw/zinc/33/83/77/720338377.db2.gz YBSGSCTWOSRSRS-MOPGFXCFSA-N 2 1 379.512 1.477 20 0 GDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4c(n3)CC[NH2+]C4)CC[C@@H]21 ZINC001164835769 720518573 /nfs/dbraw/zinc/51/85/73/720518573.db2.gz LGFSTZALPNBCJY-QRFRQXIXSA-N 2 1 381.528 1.697 20 0 GDADMP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1C[NH+]1CCCC1 ZINC001164742381 720755993 /nfs/dbraw/zinc/75/59/93/720755993.db2.gz OJQIZVPBCUEWQD-RBUKOAKNSA-N 2 1 380.496 1.809 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)CC[C@H]2C1 ZINC001164859584 720870993 /nfs/dbraw/zinc/87/09/93/720870993.db2.gz UOWXOWJMBDYOIZ-KBXCAEBGSA-N 2 1 380.920 1.554 20 0 GDADMP [NH3+]C1CCN(c2ccnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n2)CC1 ZINC001164791076 721418860 /nfs/dbraw/zinc/41/88/60/721418860.db2.gz ZFZTWRIMOFNKLN-GJZGRUSLSA-N 2 1 385.541 1.429 20 0 GDADMP C[NH+](C)Cc1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164888691 721442679 /nfs/dbraw/zinc/44/26/79/721442679.db2.gz AKMXLGDSLCMLNL-IRLDBZIGSA-N 2 1 387.572 1.909 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@H]3C2)c1 ZINC001164981684 722100254 /nfs/dbraw/zinc/10/02/54/722100254.db2.gz LYMQUCKRPRNGGU-RXVVDRJESA-N 2 1 394.523 1.287 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571294357 946132486 /nfs/dbraw/zinc/13/24/86/946132486.db2.gz GPCYDYMBQVXECQ-SSDMNJCBSA-N 2 1 389.529 1.539 20 0 GDADMP CC(=O)N1CCC(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000823972781 946530389 /nfs/dbraw/zinc/53/03/89/946530389.db2.gz GWJNOVNKOLHQCA-UHFFFAOYSA-N 2 1 397.527 1.679 20 0 GDADMP COCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826159588 947502990 /nfs/dbraw/zinc/50/29/90/947502990.db2.gz KSFJOFHMJDBIOU-FQEVSTJZSA-N 2 1 399.543 1.532 20 0 GDADMP COCC[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826159588 947502995 /nfs/dbraw/zinc/50/29/95/947502995.db2.gz KSFJOFHMJDBIOU-FQEVSTJZSA-N 2 1 399.543 1.532 20 0 GDADMP C[C@@H](C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573673920 948117215 /nfs/dbraw/zinc/11/72/15/948117215.db2.gz MDMMMIXYOVXVEY-LSDHHAIUSA-N 2 1 384.488 1.221 20 0 GDADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+]1CCCC1 ZINC001573773089 948974379 /nfs/dbraw/zinc/97/43/79/948974379.db2.gz GLYXKNNCBMNPAJ-QGZVFWFLSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574707879 949480102 /nfs/dbraw/zinc/48/01/02/949480102.db2.gz RKFWCVPINSEPQW-LRDDRELGSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575873742 949586548 /nfs/dbraw/zinc/58/65/48/949586548.db2.gz CDIKBUKWUONTGW-YJBOKZPZSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575874013 949599067 /nfs/dbraw/zinc/59/90/67/949599067.db2.gz DKCCZCSUAMJACA-QAPCUYQASA-N 2 1 385.516 1.678 20 0 GDADMP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574715972 949673318 /nfs/dbraw/zinc/67/33/18/949673318.db2.gz GQQKVTFHNYRBFD-UONOGXRCSA-N 2 1 391.545 1.739 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574151272 950063348 /nfs/dbraw/zinc/06/33/48/950063348.db2.gz OLLDXSLLHCMXFZ-UKRRQHHQSA-N 2 1 391.545 1.643 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576193328 950291127 /nfs/dbraw/zinc/29/11/27/950291127.db2.gz SUROZGOCXLZTQY-STQMWFEESA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575906044 950302634 /nfs/dbraw/zinc/30/26/34/950302634.db2.gz GHKVJBGNZWOVMW-RDTXWAMCSA-N 2 1 383.500 1.430 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576194282 950336263 /nfs/dbraw/zinc/33/62/63/950336263.db2.gz YQTLUQVDJDDOLF-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196403 950359811 /nfs/dbraw/zinc/35/98/11/950359811.db2.gz COFQJCOIZONVLH-WBVHZDCISA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575909583 950401745 /nfs/dbraw/zinc/40/17/45/950401745.db2.gz HPKJMLXPNSAWNY-KDOFPFPSSA-N 2 1 383.500 1.430 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203739 950450912 /nfs/dbraw/zinc/45/09/12/950450912.db2.gz IXHHLXVHYRQTNF-RDJZCZTQSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203739 950450932 /nfs/dbraw/zinc/45/09/32/950450932.db2.gz IXHHLXVHYRQTNF-RDJZCZTQSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203739 950450946 /nfs/dbraw/zinc/45/09/46/950450946.db2.gz IXHHLXVHYRQTNF-RDJZCZTQSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205338 950515448 /nfs/dbraw/zinc/51/54/48/950515448.db2.gz XOGKECVLCVSBDW-GJZGRUSLSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205433 950521171 /nfs/dbraw/zinc/52/11/71/950521171.db2.gz IXVTWDCHIFYGLO-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205433 950521189 /nfs/dbraw/zinc/52/11/89/950521189.db2.gz IXVTWDCHIFYGLO-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205433 950521206 /nfs/dbraw/zinc/52/12/06/950521206.db2.gz IXVTWDCHIFYGLO-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576206322 950571213 /nfs/dbraw/zinc/57/12/13/950571213.db2.gz WMBNKWZKSGUIIZ-WBVHZDCISA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576206322 950571226 /nfs/dbraw/zinc/57/12/26/950571226.db2.gz WMBNKWZKSGUIIZ-WBVHZDCISA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576206322 950571238 /nfs/dbraw/zinc/57/12/38/950571238.db2.gz WMBNKWZKSGUIIZ-WBVHZDCISA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576216419 950730950 /nfs/dbraw/zinc/73/09/50/950730950.db2.gz YZBUTAGOAPAVCI-AEGPPILISA-N 2 1 387.463 1.084 20 0 GDADMP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574521233 950770874 /nfs/dbraw/zinc/77/08/74/950770874.db2.gz DJXFCPFULCPCHN-HUUCEWRRSA-N 2 1 385.516 1.724 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574521439 950779553 /nfs/dbraw/zinc/77/95/53/950779553.db2.gz GFDCJYGXHCVHST-UONOGXRCSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001574771390 950920194 /nfs/dbraw/zinc/92/01/94/950920194.db2.gz CTVUOZDUYDIWOA-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574771390 950920212 /nfs/dbraw/zinc/92/02/12/950920212.db2.gz CTVUOZDUYDIWOA-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574771390 950920229 /nfs/dbraw/zinc/92/02/29/950920229.db2.gz CTVUOZDUYDIWOA-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001574772340 950967999 /nfs/dbraw/zinc/96/79/99/950967999.db2.gz RRHYQWHXTSQEIC-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001574772340 950968012 /nfs/dbraw/zinc/96/80/12/950968012.db2.gz RRHYQWHXTSQEIC-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092259 951793428 /nfs/dbraw/zinc/79/34/28/951793428.db2.gz BOJSNLAUAKDXTH-MAUKXSAKSA-N 2 1 385.516 1.676 20 0 GDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099845 951838798 /nfs/dbraw/zinc/83/87/98/951838798.db2.gz PEKSSUYXRQDCTH-UKRRQHHQSA-N 2 1 391.545 1.738 20 0 GDADMP COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000631236118 1126101806 /nfs/dbraw/zinc/10/18/06/1126101806.db2.gz AQOVRGYEESLWID-NRFANRHFSA-N 2 1 385.512 1.320 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173393139 530629961 /nfs/dbraw/zinc/62/99/61/530629961.db2.gz YJCHWVKUUABDTI-CQSZACIVSA-N 2 1 399.333 1.626 20 0 GDADMP CCS(=O)(=O)NCCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000133490212 531092106 /nfs/dbraw/zinc/09/21/06/531092106.db2.gz NAKIIHVKCUIFHS-CALCHBBNSA-N 2 1 375.579 1.527 20 0 GDADMP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000261674531 531096025 /nfs/dbraw/zinc/09/60/25/531096025.db2.gz MCDSDSBIPWOZOE-RHSMWYFYSA-N 2 1 395.345 1.606 20 0 GDADMP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000261674531 531096026 /nfs/dbraw/zinc/09/60/26/531096026.db2.gz MCDSDSBIPWOZOE-RHSMWYFYSA-N 2 1 395.345 1.606 20 0 GDADMP Brc1cnc(C[NH2+]CCN2CC[NH2+]CC2)c(Br)c1 ZINC000414863747 531464802 /nfs/dbraw/zinc/46/48/02/531464802.db2.gz IWXGFGNJKAPKEC-UHFFFAOYSA-N 2 1 378.112 1.601 20 0 GDADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415415343 531484317 /nfs/dbraw/zinc/48/43/17/531484317.db2.gz QHVNOCHZVKETFG-NSHDSACASA-N 2 1 385.306 1.421 20 0 GDADMP CC[C@H]([NH3+])CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415790993 531532016 /nfs/dbraw/zinc/53/20/16/531532016.db2.gz QDPQCOGLQUXWFB-LBPRGKRZSA-N 2 1 385.310 1.455 20 0 GDADMP C(C[NH+]1CCS[C@H]2COCC[C@@H]21)OCC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000366372485 531742307 /nfs/dbraw/zinc/74/23/07/531742307.db2.gz RRBABBTXQKZXRY-XLAORIBOSA-N 2 1 388.599 1.416 20 0 GDADMP C(C[NH+]1CCS[C@@H]2COCC[C@@H]21)OCC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000366372485 531742315 /nfs/dbraw/zinc/74/23/15/531742315.db2.gz RRBABBTXQKZXRY-XLAORIBOSA-N 2 1 388.599 1.416 20 0 GDADMP C(C[NH+]1CCS[C@@H]2COCC[C@@H]21)OCC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000366372485 531742323 /nfs/dbraw/zinc/74/23/23/531742323.db2.gz RRBABBTXQKZXRY-XLAORIBOSA-N 2 1 388.599 1.416 20 0 GDADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641223235 531788394 /nfs/dbraw/zinc/78/83/94/531788394.db2.gz QTQQNRCIYFBEBS-ZBFHGGJFSA-N 2 1 382.306 1.790 20 0 GDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000641804600 531852690 /nfs/dbraw/zinc/85/26/90/531852690.db2.gz ZIWJSNIOYQNFGW-KGLIPLIRSA-N 2 1 386.327 1.752 20 0 GDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595963517 531898881 /nfs/dbraw/zinc/89/88/81/531898881.db2.gz MCLGDZJRERCUHT-NKWVEPMBSA-N 2 1 379.267 1.812 20 0 GDADMP CCC[N@@H+](C)CC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000456598581 531922775 /nfs/dbraw/zinc/92/27/75/531922775.db2.gz VPEBOQUNCVFQKV-UHFFFAOYSA-N 2 1 384.322 1.876 20 0 GDADMP C[N@H+](C[C@@H](O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000625796670 531916310 /nfs/dbraw/zinc/91/63/10/531916310.db2.gz KZJUWHOCKKLKPN-ZWKOTPCHSA-N 2 1 383.330 1.714 20 0 GDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000625796670 531916316 /nfs/dbraw/zinc/91/63/16/531916316.db2.gz KZJUWHOCKKLKPN-ZWKOTPCHSA-N 2 1 383.330 1.714 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000429020595 532222172 /nfs/dbraw/zinc/22/21/72/532222172.db2.gz MHULZSHOSACWAY-OAHLLOKOSA-N 2 1 388.281 1.375 20 0 GDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736227101 598524613 /nfs/dbraw/zinc/52/46/13/598524613.db2.gz ZITSYWUKVUUKPV-ZNMIVQPWSA-N 2 1 387.536 1.451 20 0 GDADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C2 ZINC000738450671 598569123 /nfs/dbraw/zinc/56/91/23/598569123.db2.gz UKGUYHHTVZNKNL-DLBZAZTESA-N 2 1 399.547 1.739 20 0 GDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825838873 608510575 /nfs/dbraw/zinc/51/05/75/608510575.db2.gz DREAYYWYAWQRLN-IBGZPJMESA-N 2 1 397.527 1.776 20 0 GDADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCC([N@H+](C)CCO)CC3)c2c1 ZINC000826263626 609317240 /nfs/dbraw/zinc/31/72/40/609317240.db2.gz KQLWPMKGUOBXDC-UHFFFAOYSA-N 2 1 381.484 1.925 20 0 GDADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCC([N@@H+](C)CCO)CC3)c2c1 ZINC000826263626 609317241 /nfs/dbraw/zinc/31/72/41/609317241.db2.gz KQLWPMKGUOBXDC-UHFFFAOYSA-N 2 1 381.484 1.925 20 0 GDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000540140322 650350392 /nfs/dbraw/zinc/35/03/92/650350392.db2.gz MKUHSXFKNNTNBE-WMZOPIPTSA-N 2 1 375.579 1.385 20 0 GDADMP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1F ZINC000420347775 645940884 /nfs/dbraw/zinc/94/08/84/645940884.db2.gz IIJKNPLZEMWSLT-AWEZNQCLSA-N 2 1 399.308 1.896 20 0 GDADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467121255 647633584 /nfs/dbraw/zinc/63/35/84/647633584.db2.gz WAJHBODLWCOSDM-GFCCVEGCSA-N 2 1 399.333 1.906 20 0 GDADMP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ncc(I)s2)CC1 ZINC000512148379 648398120 /nfs/dbraw/zinc/39/81/20/648398120.db2.gz WUXMFQONHVAMMW-LLVKDONJSA-N 2 1 394.326 1.863 20 0 GDADMP Cc1ccc(C[C@H](CO)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1Br ZINC000572039568 651088660 /nfs/dbraw/zinc/08/86/60/651088660.db2.gz QQUGPRKPYDQROX-RDJZCZTQSA-N 2 1 385.346 1.953 20 0 GDADMP Cc1ccc(C[C@H](CO)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1Br ZINC000572039568 651088663 /nfs/dbraw/zinc/08/86/63/651088663.db2.gz QQUGPRKPYDQROX-RDJZCZTQSA-N 2 1 385.346 1.953 20 0 GDADMP O=C(N[C@H]1CCC[NH2+]C1)c1sc2c(c1I)C[NH2+]C2 ZINC000595919629 652426819 /nfs/dbraw/zinc/42/68/19/652426819.db2.gz LHBAACZSVJOPJQ-ZETCQYMHSA-N 2 1 377.251 1.438 20 0 GDADMP C[N@@H+]1CC[C@@H](CNC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595943468 652428362 /nfs/dbraw/zinc/42/83/62/652428362.db2.gz OYCSSVNAEPULRI-QMMMGPOBSA-N 2 1 391.278 1.637 20 0 GDADMP C[N@H+]1CC[C@@H](CNC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595943468 652428367 /nfs/dbraw/zinc/42/83/67/652428367.db2.gz OYCSSVNAEPULRI-QMMMGPOBSA-N 2 1 391.278 1.637 20 0 GDADMP C[C@H]1[NH2+]CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)[C@H]1C ZINC000595952100 652429430 /nfs/dbraw/zinc/42/94/30/652429430.db2.gz WVAGFLOYJAYEML-SFYZADRCSA-N 2 1 391.278 1.778 20 0 GDADMP C[NH+]1CCCN(c2nc(N3CCC[N@@H+](C)CC3)ncc2Br)CC1 ZINC000634795545 653500401 /nfs/dbraw/zinc/50/04/01/653500401.db2.gz BJDROMQEFXTZHW-UHFFFAOYSA-N 2 1 383.338 1.523 20 0 GDADMP C[NH+]1CCCN(c2nc(N3CCC[N@H+](C)CC3)ncc2Br)CC1 ZINC000634795545 653500404 /nfs/dbraw/zinc/50/04/04/653500404.db2.gz BJDROMQEFXTZHW-UHFFFAOYSA-N 2 1 383.338 1.523 20 0 GDADMP C[NH+]1CCCN(c2ncc(Br)c(N3CCC[N@H+](C)CC3)n2)CC1 ZINC000634795545 653500407 /nfs/dbraw/zinc/50/04/07/653500407.db2.gz BJDROMQEFXTZHW-UHFFFAOYSA-N 2 1 383.338 1.523 20 0 GDADMP C[NH+]1CCCN(c2ncc(Br)c(N3CCC[N@@H+](C)CC3)n2)CC1 ZINC000634795545 653500409 /nfs/dbraw/zinc/50/04/09/653500409.db2.gz BJDROMQEFXTZHW-UHFFFAOYSA-N 2 1 383.338 1.523 20 0 GDADMP CC(C)OCC[NH+]1CCC([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000638727119 653542571 /nfs/dbraw/zinc/54/25/71/653542571.db2.gz AZYMAUXRIHSSRO-UHFFFAOYSA-N 2 1 375.579 1.716 20 0 GDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnn2cc(Br)cnc12 ZINC000639172294 653547948 /nfs/dbraw/zinc/54/79/48/653547948.db2.gz MTXUSXXTWLKCCS-UHFFFAOYSA-N 2 1 381.322 1.561 20 0 GDADMP [NH3+]C[C@@H](NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(F)(F)F ZINC000655929973 653995110 /nfs/dbraw/zinc/99/51/10/653995110.db2.gz YSNIPYWDUOMMIZ-UONOGXRCSA-N 2 1 376.448 1.793 20 0 GDADMP [NH3+]C[C@@H](NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(F)(F)F ZINC000655929973 653995114 /nfs/dbraw/zinc/99/51/14/653995114.db2.gz YSNIPYWDUOMMIZ-UONOGXRCSA-N 2 1 376.448 1.793 20 0 GDADMP COCCCS(=O)(=O)NCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000673855403 654584309 /nfs/dbraw/zinc/58/43/09/654584309.db2.gz OSFVSJKLVNCCEE-UHFFFAOYSA-N 2 1 375.579 1.530 20 0 GDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765448383 655240548 /nfs/dbraw/zinc/24/05/48/655240548.db2.gz DNVZOIGLEPVUKQ-KGLIPLIRSA-N 2 1 391.559 1.403 20 0 GDADMP [NH3+]C[C@H]1CCCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000852795325 655622718 /nfs/dbraw/zinc/62/27/18/655622718.db2.gz XEWSXFIPQBUEOS-MRVPVSSYSA-N 2 1 391.278 1.767 20 0 GDADMP O=C(c1sc2c(c1I)C[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852882869 655625269 /nfs/dbraw/zinc/62/52/69/655625269.db2.gz RIIDWUWCFZFNMK-APPZFPTMSA-N 2 1 389.262 1.390 20 0 GDADMP Cn1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(Br)n1 ZINC000858141570 655744990 /nfs/dbraw/zinc/74/49/90/655744990.db2.gz PNGGEUAMHLHWSC-UHFFFAOYSA-N 2 1 394.317 1.764 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)cnc1F ZINC000862166685 655840029 /nfs/dbraw/zinc/84/00/29/655840029.db2.gz KMJOCMLDIFLFRX-NSHDSACASA-N 2 1 375.286 1.985 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)cnc1F ZINC000862166685 655840030 /nfs/dbraw/zinc/84/00/30/655840030.db2.gz KMJOCMLDIFLFRX-NSHDSACASA-N 2 1 375.286 1.985 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](CCOc2ccccc2Br)C1 ZINC000866711037 655955867 /nfs/dbraw/zinc/95/58/67/655955867.db2.gz ABKXQXATLLVYGV-BJJXKVORSA-N 2 1 396.285 1.695 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CCOc2ccccc2Br)C1 ZINC000866711037 655955868 /nfs/dbraw/zinc/95/58/68/655955868.db2.gz ABKXQXATLLVYGV-BJJXKVORSA-N 2 1 396.285 1.695 20 0 GDADMP O=C([C@H]1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)C1)N1CC[NH2+]CC1 ZINC000923281457 656542323 /nfs/dbraw/zinc/54/23/23/656542323.db2.gz FTOYBDDWJZUKTL-RDJZCZTQSA-N 2 1 396.329 1.626 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923280122 656542358 /nfs/dbraw/zinc/54/23/58/656542358.db2.gz FETBIPQZOWMMKJ-CHWSQXEVSA-N 2 1 390.311 1.520 20 0 GDADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923288264 656542818 /nfs/dbraw/zinc/54/28/18/656542818.db2.gz ZAEQOTKFLQMGOO-HNNXBMFYSA-N 2 1 390.297 1.165 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000933442890 657281676 /nfs/dbraw/zinc/28/16/76/657281676.db2.gz WNRKQTYWBRDCPN-SFHVURJKSA-N 2 1 398.345 1.496 20 0 GDADMP Cn1ncc(Br)c1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000888378994 657894526 /nfs/dbraw/zinc/89/45/26/657894526.db2.gz HNXFBNAIZFSXBF-UHFFFAOYSA-N 2 1 393.289 1.511 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]nc1I ZINC000898585475 658940822 /nfs/dbraw/zinc/94/08/22/658940822.db2.gz YUCNCOVLMWAURD-JTQLQIEISA-N 2 1 393.273 1.016 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]nc1I ZINC000898585475 658940823 /nfs/dbraw/zinc/94/08/23/658940823.db2.gz YUCNCOVLMWAURD-JTQLQIEISA-N 2 1 393.273 1.016 20 0 GDADMP C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000903228721 659306932 /nfs/dbraw/zinc/30/69/32/659306932.db2.gz AFBSZCHNOVHTOI-CQSZACIVSA-N 2 1 391.559 1.335 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000903492388 659317730 /nfs/dbraw/zinc/31/77/30/659317730.db2.gz ONRHRHSYKGSAKK-QEORTHHSSA-N 2 1 386.901 1.326 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000903492388 659317733 /nfs/dbraw/zinc/31/77/33/659317733.db2.gz ONRHRHSYKGSAKK-QEORTHHSSA-N 2 1 386.901 1.326 20 0 GDADMP C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000903809561 659382036 /nfs/dbraw/zinc/38/20/36/659382036.db2.gz DOOUDHDMYRJHKE-CQSZACIVSA-N 2 1 391.281 1.768 20 0 GDADMP C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000903809561 659382043 /nfs/dbraw/zinc/38/20/43/659382043.db2.gz DOOUDHDMYRJHKE-CQSZACIVSA-N 2 1 391.281 1.768 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)n2)CC1 ZINC001164386961 718815419 /nfs/dbraw/zinc/81/54/19/718815419.db2.gz CLMWTMZZGZXXKL-HNNXBMFYSA-N 2 1 384.450 1.739 20 0 GDADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164652015 719313569 /nfs/dbraw/zinc/31/35/69/719313569.db2.gz LNEHJICEIYNLLH-UHFFFAOYSA-N 2 1 383.544 1.893 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2cc(C(=O)N3CCCC3)ccn2)c2c1CC[NH2+]C2 ZINC001164682946 719632591 /nfs/dbraw/zinc/63/25/91/719632591.db2.gz PWUZTBKHLSXCBB-UHFFFAOYSA-N 2 1 382.512 1.989 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(C(=O)N3CCCC3)ccn2)c2c1CC[NH2+]C2 ZINC001164682946 719632599 /nfs/dbraw/zinc/63/25/99/719632599.db2.gz PWUZTBKHLSXCBB-UHFFFAOYSA-N 2 1 382.512 1.989 20 0 GDADMP Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C[NH3+])c1 ZINC001164743588 720841362 /nfs/dbraw/zinc/84/13/62/720841362.db2.gz JNYNFXCSYGTZAF-HSALFYBXSA-N 2 1 381.528 1.820 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)n4)C[C@@H]3C2)cn1 ZINC001164764042 721160606 /nfs/dbraw/zinc/16/06/06/721160606.db2.gz GQUMFGFICVVMBQ-PMACEKPBSA-N 2 1 395.555 1.525 20 0 GDADMP O=C(c1cccnc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1)N1CC[NH2+]CC1 ZINC001164781734 721418132 /nfs/dbraw/zinc/41/81/32/721418132.db2.gz DKRXZLSSNKWRNN-HOTGVXAUSA-N 2 1 398.536 1.152 20 0 GDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3c(nn2)CC[NH2+]C3)[C@@H]2CCCO[C@H]12 ZINC001164807262 721566050 /nfs/dbraw/zinc/56/60/50/721566050.db2.gz SBQZIUYLYVFKON-SBHAEUEKSA-N 2 1 380.496 1.386 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3c(nn2)CC[NH2+]C3)[C@@H]2CCCO[C@H]12 ZINC001164807262 721566051 /nfs/dbraw/zinc/56/60/51/721566051.db2.gz SBQZIUYLYVFKON-SBHAEUEKSA-N 2 1 380.496 1.386 20 0 GDADMP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164923986 721856640 /nfs/dbraw/zinc/85/66/40/721856640.db2.gz BIBFLMLQBULZJV-IRXDYDNUSA-N 2 1 378.952 1.812 20 0 GDADMP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164923986 721856642 /nfs/dbraw/zinc/85/66/42/721856642.db2.gz BIBFLMLQBULZJV-IRXDYDNUSA-N 2 1 378.952 1.812 20 0 GDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1)C12CC[NH+](CC1)C2 ZINC001571285253 945914090 /nfs/dbraw/zinc/91/40/90/945914090.db2.gz ZYVZTBRRMHSXLX-ZDUSSCGKSA-N 2 1 387.513 1.105 20 0 GDADMP C[C@H](C(=O)NCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)[NH+]1CCCCCC1 ZINC001573714862 948478978 /nfs/dbraw/zinc/47/89/78/948478978.db2.gz KGQDTLQHWPFMIM-MRXNPFEDSA-N 2 1 385.516 1.679 20 0 GDADMP C[C@@H](C(=O)NCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)[NH+]1CCCCCC1 ZINC001573714860 948479197 /nfs/dbraw/zinc/47/91/97/948479197.db2.gz KGQDTLQHWPFMIM-INIZCTEOSA-N 2 1 385.516 1.679 20 0 GDADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266061 949466912 /nfs/dbraw/zinc/46/69/12/949466912.db2.gz XDPIEXBBJFBWMC-KBXCAEBGSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575875933 949636989 /nfs/dbraw/zinc/63/69/89/949636989.db2.gz WLTUWYAFXBNWAZ-XJKSGUPXSA-N 2 1 384.488 1.077 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574731261 950043963 /nfs/dbraw/zinc/04/39/63/950043963.db2.gz CHCJUUUDEIFWFW-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574151833 950093590 /nfs/dbraw/zinc/09/35/90/950093590.db2.gz ZBFIHKPOAMHHOT-KGLIPLIRSA-N 2 1 391.545 1.500 20 0 GDADMP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575906043 950303903 /nfs/dbraw/zinc/30/39/03/950303903.db2.gz GHKVJBGNZWOVMW-KSSFIOAISA-N 2 1 383.500 1.430 20 0 GDADMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576205262 950506526 /nfs/dbraw/zinc/50/65/26/950506526.db2.gz ICHFISSABDLVHN-CRAIPNDOSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576205585 950530448 /nfs/dbraw/zinc/53/04/48/950530448.db2.gz KEEVNDSUWIHUGG-IUODEOHRSA-N 2 1 389.529 1.254 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205808 950537758 /nfs/dbraw/zinc/53/77/58/950537758.db2.gz PSQJYECGAJOGFM-RDJZCZTQSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205808 950537772 /nfs/dbraw/zinc/53/77/72/950537772.db2.gz PSQJYECGAJOGFM-RDJZCZTQSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205808 950537791 /nfs/dbraw/zinc/53/77/91/950537791.db2.gz PSQJYECGAJOGFM-RDJZCZTQSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205809 950540689 /nfs/dbraw/zinc/54/06/89/950540689.db2.gz PSQJYECGAJOGFM-WBVHZDCISA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205809 950540712 /nfs/dbraw/zinc/54/07/12/950540712.db2.gz PSQJYECGAJOGFM-WBVHZDCISA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205809 950540734 /nfs/dbraw/zinc/54/07/34/950540734.db2.gz PSQJYECGAJOGFM-WBVHZDCISA-N 2 1 383.500 1.147 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205858 950545777 /nfs/dbraw/zinc/54/57/77/950545777.db2.gz QMWKTTNKMMHTHB-ZRMMWKCHSA-N 2 1 375.502 1.032 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)CC2)C1 ZINC001576206336 950569891 /nfs/dbraw/zinc/56/98/91/950569891.db2.gz WQZRPRLQJUPPDM-CYBMUJFWSA-N 2 1 387.463 1.086 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576207392 950595079 /nfs/dbraw/zinc/59/50/79/950595079.db2.gz GWMAQZXTMZRWLP-HNNXBMFYSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576207392 950595101 /nfs/dbraw/zinc/59/51/01/950595101.db2.gz GWMAQZXTMZRWLP-HNNXBMFYSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576207392 950595120 /nfs/dbraw/zinc/59/51/20/950595120.db2.gz GWMAQZXTMZRWLP-HNNXBMFYSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)C1 ZINC001576208713 950614372 /nfs/dbraw/zinc/61/43/72/950614372.db2.gz ULZPMTZQCCMWJC-IIDMSEBBSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)C1 ZINC001576208713 950614390 /nfs/dbraw/zinc/61/43/90/950614390.db2.gz ULZPMTZQCCMWJC-IIDMSEBBSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)C1 ZINC001576208713 950614408 /nfs/dbraw/zinc/61/44/08/950614408.db2.gz ULZPMTZQCCMWJC-IIDMSEBBSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576213937 950654594 /nfs/dbraw/zinc/65/45/94/950654594.db2.gz LCYWMTLKMXGZCZ-DAXOMENPSA-N 2 1 387.463 1.084 20 0 GDADMP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574523918 950841035 /nfs/dbraw/zinc/84/10/35/950841035.db2.gz SETVJRRJOGBQNW-HUUCEWRRSA-N 2 1 385.516 1.724 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091492 951776905 /nfs/dbraw/zinc/77/69/05/951776905.db2.gz SPAFCKCHVADPNC-DYVFJYSZSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575101729 951863159 /nfs/dbraw/zinc/86/31/59/951863159.db2.gz IXBKSFSOTURFSE-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+]1CCCC1 ZINC001571233872 953197072 /nfs/dbraw/zinc/19/70/72/953197072.db2.gz GLYXKNNCBMNPAJ-KRWDZBQOSA-N 2 1 383.500 1.432 20 0 GDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571234045 953198510 /nfs/dbraw/zinc/19/85/10/953198510.db2.gz LMTMNDUZQYSLFE-GOSISDBHSA-N 2 1 383.500 1.384 20 0 GDADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571234157 953199305 /nfs/dbraw/zinc/19/93/05/953199305.db2.gz OHOHINFHLGEENL-INIZCTEOSA-N 2 1 383.500 1.432 20 0 GDADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001571234294 953200516 /nfs/dbraw/zinc/20/05/16/953200516.db2.gz STFGQPKLQKIYCD-GOSISDBHSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001571234294 953200520 /nfs/dbraw/zinc/20/05/20/953200520.db2.gz STFGQPKLQKIYCD-GOSISDBHSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001571234294 953200523 /nfs/dbraw/zinc/20/05/23/953200523.db2.gz STFGQPKLQKIYCD-GOSISDBHSA-N 2 1 383.500 1.384 20 0 GDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234947 953207232 /nfs/dbraw/zinc/20/72/32/953207232.db2.gz NNWKSLAGXDXVLF-GOSISDBHSA-N 2 1 383.500 1.241 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571235020 953207815 /nfs/dbraw/zinc/20/78/15/953207815.db2.gz PYFSEFMCTMJSEN-MSOLQXFVSA-N 2 1 383.500 1.432 20 0 GDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235328 953211206 /nfs/dbraw/zinc/21/12/06/953211206.db2.gz ZZZNCYYWLHQXAJ-SJLPKXTDSA-N 2 1 383.500 1.432 20 0 GDADMP Cc1cc(N(C)[C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252467 953328068 /nfs/dbraw/zinc/32/80/68/953328068.db2.gz NJDPAIUVAHNJHZ-GOEBONIOSA-N 2 1 384.488 1.092 20 0 GDADMP O[C@]1(C(F)(F)F)CC[NH+](CCOCC[N@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000177279963 530700383 /nfs/dbraw/zinc/70/03/83/530700383.db2.gz PGSAJGDNPKSLGR-VXGBXAGGSA-N 2 1 380.329 1.001 20 0 GDADMP O[C@]1(C(F)(F)F)CC[NH+](CCOCC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000177279963 530700386 /nfs/dbraw/zinc/70/03/86/530700386.db2.gz PGSAJGDNPKSLGR-VXGBXAGGSA-N 2 1 380.329 1.001 20 0 GDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000442785790 531376696 /nfs/dbraw/zinc/37/66/96/531376696.db2.gz YJRGMDLEUYPASA-CHWSQXEVSA-N 2 1 386.327 1.706 20 0 GDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000442785790 531376699 /nfs/dbraw/zinc/37/66/99/531376699.db2.gz YJRGMDLEUYPASA-CHWSQXEVSA-N 2 1 386.327 1.706 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C[NH+]1CCCC1 ZINC000414292126 531437876 /nfs/dbraw/zinc/43/78/76/531437876.db2.gz OPMLJEHOFSQOMV-LBPRGKRZSA-N 2 1 390.347 1.918 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415316694 531474921 /nfs/dbraw/zinc/47/49/21/531474921.db2.gz OKHGGQPIDHDHNU-CYBMUJFWSA-N 2 1 383.290 1.317 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(I)cc2)CC1 ZINC000449128097 531466197 /nfs/dbraw/zinc/46/61/97/531466197.db2.gz RGUVMICTNNSKIZ-UHFFFAOYSA-N 2 1 387.265 1.545 20 0 GDADMP CC1(C)[C@H]([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H]1[NH3+] ZINC000641803810 531853247 /nfs/dbraw/zinc/85/32/47/531853247.db2.gz HWMGVWTYYVZMIQ-QWHCGFSZSA-N 2 1 383.290 1.219 20 0 GDADMP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]([NH3+])c3ccccc3Br)C2)CC1 ZINC000595930400 531893799 /nfs/dbraw/zinc/89/37/99/531893799.db2.gz VTZCNMDOLSGBSQ-WMLDXEAASA-N 2 1 395.345 1.687 20 0 GDADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000284310369 531947220 /nfs/dbraw/zinc/94/72/20/531947220.db2.gz ZBRLULQJCBRYIY-PBHICJAKSA-N 2 1 384.571 1.021 20 0 GDADMP CN(Cc1ccccc1Br)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000321310250 532068414 /nfs/dbraw/zinc/06/84/14/532068414.db2.gz CUTIMDVTRNHNJZ-UHFFFAOYSA-N 2 1 383.334 1.245 20 0 GDADMP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000321310250 532068422 /nfs/dbraw/zinc/06/84/22/532068422.db2.gz CUTIMDVTRNHNJZ-UHFFFAOYSA-N 2 1 383.334 1.245 20 0 GDADMP Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000423111226 532071696 /nfs/dbraw/zinc/07/16/96/532071696.db2.gz QGWKCYKESQRZTO-STQMWFEESA-N 2 1 376.320 1.505 20 0 GDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423510775 532076529 /nfs/dbraw/zinc/07/65/29/532076529.db2.gz NZDYAKLXIKRJNR-ODIFPOPNSA-N 2 1 397.361 1.805 20 0 GDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000426830146 532171593 /nfs/dbraw/zinc/17/15/93/532171593.db2.gz VOTUWIOBEKJLLJ-CALCHBBNSA-N 2 1 375.579 1.479 20 0 GDADMP CCNC(=O)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825466173 609251444 /nfs/dbraw/zinc/25/14/44/609251444.db2.gz WUWSBBXWKPLIBR-UHFFFAOYSA-N 2 1 385.516 1.583 20 0 GDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)[C@H](C)C1 ZINC000552333788 650623545 /nfs/dbraw/zinc/62/35/45/650623545.db2.gz OXWWJCCVOGLYCL-SQNIBIBYSA-N 2 1 375.579 1.527 20 0 GDADMP C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000419773320 645931776 /nfs/dbraw/zinc/93/17/76/645931776.db2.gz HCXBNYQMYACJHL-LLVKDONJSA-N 2 1 387.311 1.537 20 0 GDADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423406480 646124614 /nfs/dbraw/zinc/12/46/14/646124614.db2.gz USKAQEPRNLDCAT-NRUUGDAUSA-N 2 1 376.320 1.745 20 0 GDADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423556753 646130131 /nfs/dbraw/zinc/13/01/31/646130131.db2.gz MODPWLWXEPCHLR-JTQLQIEISA-N 2 1 376.320 1.889 20 0 GDADMP O=S(=O)(c1ccc(F)c(F)c1F)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000517020410 648550929 /nfs/dbraw/zinc/55/09/29/648550929.db2.gz FJRANAWXIZNBTH-LBPRGKRZSA-N 2 1 377.432 1.410 20 0 GDADMP O=C(CCOC1C[NH2+]C1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000577749071 651750691 /nfs/dbraw/zinc/75/06/91/651750691.db2.gz JHBTUEZGIXEXLM-UHFFFAOYSA-N 2 1 396.329 1.908 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000579929600 651886046 /nfs/dbraw/zinc/88/60/46/651886046.db2.gz KMJXWUSFNNBBAP-ZDUSSCGKSA-N 2 1 397.321 1.455 20 0 GDADMP C[NH2+][C@@H]1CCCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595919149 652426483 /nfs/dbraw/zinc/42/64/83/652426483.db2.gz JOZSVQOZIGNDMS-MRVPVSSYSA-N 2 1 391.278 1.780 20 0 GDADMP [NH3+]C[C@H]1CCCCN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595919671 652426893 /nfs/dbraw/zinc/42/68/93/652426893.db2.gz LYISYJQVRQZJEU-MRVPVSSYSA-N 2 1 391.278 1.909 20 0 GDADMP C[C@@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC[NH2+]1 ZINC000595924836 652427139 /nfs/dbraw/zinc/42/71/39/652427139.db2.gz QKKKBPHPWJMOFE-SSDOTTSWSA-N 2 1 377.251 1.390 20 0 GDADMP C[C@]1(NC(=O)c2sc3c(c2I)C[NH2+]C3)CC[NH2+]C1 ZINC000595984169 652431630 /nfs/dbraw/zinc/43/16/30/652431630.db2.gz AHBCYARLEJMCIG-LBPRGKRZSA-N 2 1 377.251 1.438 20 0 GDADMP C[S@@](=O)C1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC[NH2+]CC1 ZINC000602472798 652638967 /nfs/dbraw/zinc/63/89/67/652638967.db2.gz IXEKXUWVRWRWPW-RUZDIDTESA-N 2 1 381.567 1.675 20 0 GDADMP [NH3+][C@H]1CC[C@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)CC1 ZINC000602604259 652642996 /nfs/dbraw/zinc/64/29/96/652642996.db2.gz KFMJXTSRVSMHIR-ZKCHVHJHSA-N 2 1 391.278 1.956 20 0 GDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000607892913 652807255 /nfs/dbraw/zinc/80/72/55/652807255.db2.gz FCIFTKPFVZSFBJ-UHFFFAOYSA-N 2 1 392.257 1.949 20 0 GDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638571148 653540602 /nfs/dbraw/zinc/54/06/02/653540602.db2.gz GLVKABOWWHIBMQ-GFCCVEGCSA-N 2 1 395.305 1.169 20 0 GDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638571148 653540605 /nfs/dbraw/zinc/54/06/05/653540605.db2.gz GLVKABOWWHIBMQ-GFCCVEGCSA-N 2 1 395.305 1.169 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644563548 653599347 /nfs/dbraw/zinc/59/93/47/653599347.db2.gz WCFKTKXOHIYLEM-ZDUSSCGKSA-N 2 1 390.311 1.487 20 0 GDADMP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662756514 654302084 /nfs/dbraw/zinc/30/20/84/654302084.db2.gz IJMWHBZZHYZJJY-CZUORRHYSA-N 2 1 383.334 1.591 20 0 GDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819004291 655383146 /nfs/dbraw/zinc/38/31/46/655383146.db2.gz NCCSFYZCDJKYAO-BBRMVZONSA-N 2 1 384.318 1.660 20 0 GDADMP C[C@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000843061802 655387622 /nfs/dbraw/zinc/38/76/22/655387622.db2.gz IKOZXUUMWHSHKX-CJNGLKHVSA-N 2 1 375.282 1.842 20 0 GDADMP CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000851763322 655593776 /nfs/dbraw/zinc/59/37/76/655593776.db2.gz PAATTYBEPYNIRI-SJORKVTESA-N 2 1 377.466 1.673 20 0 GDADMP [NH3+]C[C@@H]1CC(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)=NO1 ZINC000852872028 655624673 /nfs/dbraw/zinc/62/46/73/655624673.db2.gz GWMIFNOYKWSVLK-HNNXBMFYSA-N 2 1 395.301 1.633 20 0 GDADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000854222234 655658825 /nfs/dbraw/zinc/65/88/25/655658825.db2.gz CRCPMZXYTGEBIM-CYBMUJFWSA-N 2 1 389.543 1.334 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1cnc(Br)cn1 ZINC000923198126 656532071 /nfs/dbraw/zinc/53/20/71/656532071.db2.gz DXVNHGBUQYHWTE-LBPRGKRZSA-N 2 1 387.326 1.310 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1cnc(Br)cn1 ZINC000923198126 656532081 /nfs/dbraw/zinc/53/20/81/656532081.db2.gz DXVNHGBUQYHWTE-LBPRGKRZSA-N 2 1 387.326 1.310 20 0 GDADMP CCO[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@H]1C[NH3+] ZINC000923387967 656548399 /nfs/dbraw/zinc/54/83/99/656548399.db2.gz PQUXNMWSKQSKHX-DIOULYMOSA-N 2 1 391.281 1.624 20 0 GDADMP CCO[C@@H]1C[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@H]1C[NH3+] ZINC000923387967 656548404 /nfs/dbraw/zinc/54/84/04/656548404.db2.gz PQUXNMWSKQSKHX-DIOULYMOSA-N 2 1 391.281 1.624 20 0 GDADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000925204306 656700585 /nfs/dbraw/zinc/70/05/85/656700585.db2.gz FJGRDUYBUPBWJM-INIZCTEOSA-N 2 1 375.579 1.526 20 0 GDADMP CN(CC[N@H+](C)C[C@@H](O)c1cc(Br)no1)C1CC[NH+](C)CC1 ZINC000878311291 656718137 /nfs/dbraw/zinc/71/81/37/656718137.db2.gz HHWVZTMFLOYOAN-CYBMUJFWSA-N 2 1 375.311 1.428 20 0 GDADMP CN(CC[N@@H+](C)C[C@@H](O)c1cc(Br)no1)C1CC[NH+](C)CC1 ZINC000878311291 656718142 /nfs/dbraw/zinc/71/81/42/656718142.db2.gz HHWVZTMFLOYOAN-CYBMUJFWSA-N 2 1 375.311 1.428 20 0 GDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)c3ccccc3Br)nn2)CC1 ZINC000881420449 656935445 /nfs/dbraw/zinc/93/54/45/656935445.db2.gz XIAAOTYIDGGVID-KRWDZBQOSA-N 2 1 394.317 1.740 20 0 GDADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1C ZINC001164403444 718839491 /nfs/dbraw/zinc/83/94/91/718839491.db2.gz JAEASYMMPWTJLR-INIZCTEOSA-N 2 1 386.569 1.998 20 0 GDADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1C ZINC001164403445 718839643 /nfs/dbraw/zinc/83/96/43/718839643.db2.gz JAEASYMMPWTJLR-MRXNPFEDSA-N 2 1 386.569 1.998 20 0 GDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc4c(nn3)CC[NH2+]C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835848 720569813 /nfs/dbraw/zinc/56/98/13/720569813.db2.gz INGDKKJIPPNXTN-CMKODMSKSA-N 2 1 381.528 1.697 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164769901 721144404 /nfs/dbraw/zinc/14/44/04/721144404.db2.gz PYPOGEYKRLADSK-QZTJIDSGSA-N 2 1 395.511 1.770 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164769901 721144414 /nfs/dbraw/zinc/14/44/14/721144414.db2.gz PYPOGEYKRLADSK-QZTJIDSGSA-N 2 1 395.511 1.770 20 0 GDADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164894070 721388634 /nfs/dbraw/zinc/38/86/34/721388634.db2.gz XEALEZJJZGANTF-DENIHFKCSA-N 2 1 385.556 1.493 20 0 GDADMP O=C1COc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2N1 ZINC001164983635 722120598 /nfs/dbraw/zinc/12/05/98/722120598.db2.gz YRXVXPOGCMUIMK-SJLPKXTDSA-N 2 1 395.463 1.535 20 0 GDADMP O=C1COc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2N1 ZINC001164983635 722120601 /nfs/dbraw/zinc/12/06/01/722120601.db2.gz YRXVXPOGCMUIMK-SJLPKXTDSA-N 2 1 395.463 1.535 20 0 GDADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821087750 945630873 /nfs/dbraw/zinc/63/08/73/945630873.db2.gz FSYFDDHCFHQSNA-ZDUSSCGKSA-N 2 1 377.518 1.921 20 0 GDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821087750 945630882 /nfs/dbraw/zinc/63/08/82/945630882.db2.gz FSYFDDHCFHQSNA-ZDUSSCGKSA-N 2 1 377.518 1.921 20 0 GDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821087750 945630895 /nfs/dbraw/zinc/63/08/95/945630895.db2.gz FSYFDDHCFHQSNA-ZDUSSCGKSA-N 2 1 377.518 1.921 20 0 GDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821087750 945630901 /nfs/dbraw/zinc/63/09/01/945630901.db2.gz FSYFDDHCFHQSNA-ZDUSSCGKSA-N 2 1 377.518 1.921 20 0 GDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295397 946161616 /nfs/dbraw/zinc/16/16/16/946161616.db2.gz RSGMKSUJXDWCNB-UKRRQHHQSA-N 2 1 389.529 1.492 20 0 GDADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)Cc1ccco1 ZINC000826507126 948426630 /nfs/dbraw/zinc/42/66/30/948426630.db2.gz JBHJEIWAEDPYBP-KRWDZBQOSA-N 2 1 396.495 1.865 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574926100 948983669 /nfs/dbraw/zinc/98/36/69/948983669.db2.gz ILQOPRPYOBNHCV-CYBMUJFWSA-N 2 1 391.495 1.578 20 0 GDADMP CC(C)(C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+]1CCCC1 ZINC001573782348 949120009 /nfs/dbraw/zinc/12/00/09/949120009.db2.gz SMQNSGZAHKMHOY-UHFFFAOYSA-N 2 1 384.488 1.221 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704384 949381896 /nfs/dbraw/zinc/38/18/96/949381896.db2.gz BTVVPWLKSINDMG-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575878832 949683587 /nfs/dbraw/zinc/68/35/87/949683587.db2.gz PNSNRCIMLRNHRO-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574963937 949760247 /nfs/dbraw/zinc/76/02/47/949760247.db2.gz NGUIVLTXZZYCDW-MPGHIAIKSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574963937 949760256 /nfs/dbraw/zinc/76/02/56/949760256.db2.gz NGUIVLTXZZYCDW-MPGHIAIKSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574963937 949760275 /nfs/dbraw/zinc/76/02/75/949760275.db2.gz NGUIVLTXZZYCDW-MPGHIAIKSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576191444 950197919 /nfs/dbraw/zinc/19/79/19/950197919.db2.gz GKVXOPBFMGOXEK-CQSZACIVSA-N 2 1 384.488 1.031 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194501 950350096 /nfs/dbraw/zinc/35/00/96/950350096.db2.gz ZKYQKFIAAVNXRR-YJBOKZPZSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194501 950350114 /nfs/dbraw/zinc/35/01/14/950350114.db2.gz ZKYQKFIAAVNXRR-YJBOKZPZSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194501 950350132 /nfs/dbraw/zinc/35/01/32/950350132.db2.gz ZKYQKFIAAVNXRR-YJBOKZPZSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575912888 950468849 /nfs/dbraw/zinc/46/88/49/950468849.db2.gz RJJDNCFNCANETO-KBXCAEBGSA-N 2 1 383.500 1.430 20 0 GDADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576204723 950471487 /nfs/dbraw/zinc/47/14/87/950471487.db2.gz BBJWQCPMSWFCHR-KBPBESRZSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576206521 950571269 /nfs/dbraw/zinc/57/12/69/950571269.db2.gz XGYAORGIJFFLPM-KBPBESRZSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001574772341 950968622 /nfs/dbraw/zinc/96/86/22/950968622.db2.gz RRHYQWHXTSQEIC-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001574772341 950968639 /nfs/dbraw/zinc/96/86/39/950968639.db2.gz RRHYQWHXTSQEIC-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CCC[NH+](C)C ZINC001574773707 950990448 /nfs/dbraw/zinc/99/04/48/950990448.db2.gz YPAXBGFXOLLDTB-CYBMUJFWSA-N 2 1 377.468 1.284 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CCC[NH+](C)C ZINC001574773707 950990466 /nfs/dbraw/zinc/99/04/66/950990466.db2.gz YPAXBGFXOLLDTB-CYBMUJFWSA-N 2 1 377.468 1.284 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077262 951664730 /nfs/dbraw/zinc/66/47/30/951664730.db2.gz BKJQBBQOTSBQMR-CXAGYDPISA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077336 951665780 /nfs/dbraw/zinc/66/57/80/951665780.db2.gz FXHVBHRLCXKQFJ-KBPBESRZSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575091262 951771601 /nfs/dbraw/zinc/77/16/01/951771601.db2.gz PHVFYKQYPCEAFU-UMVBOHGHSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575095122 951809731 /nfs/dbraw/zinc/80/97/31/951809731.db2.gz RWWFQZWQKFWIJW-DAYGRLMNSA-N 2 1 385.516 1.534 20 0 GDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098703 951826081 /nfs/dbraw/zinc/82/60/81/951826081.db2.gz FGCODEDJOBTPCO-UKRRQHHQSA-N 2 1 391.545 1.643 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102024 951865435 /nfs/dbraw/zinc/86/54/35/951865435.db2.gz KSJSKAUDSUAGTK-KBPBESRZSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571234220 953199892 /nfs/dbraw/zinc/19/98/92/953199892.db2.gz QCBYTYALVBNQDO-KBXCAEBGSA-N 2 1 383.500 1.288 20 0 GDADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571234850 953206282 /nfs/dbraw/zinc/20/62/82/953206282.db2.gz KOIJDMHNGKFBHP-SFHVURJKSA-N 2 1 383.500 1.289 20 0 GDADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3cnc(N4CCOCC4)s3)C2)[C@@H]1C(C)C ZINC001550424023 1126206644 /nfs/dbraw/zinc/20/66/44/1126206644.db2.gz WWLMJSKGUUCQOJ-JPLJXNOCSA-N 2 1 394.585 1.939 20 0 GDADMP C[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000294059627 531460188 /nfs/dbraw/zinc/46/01/88/531460188.db2.gz KCZWJMCVKLSYQT-GUYCJALGSA-N 2 1 384.318 1.708 20 0 GDADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415436752 531486285 /nfs/dbraw/zinc/48/62/85/531486285.db2.gz YSAQFOCTLFBXGB-AWEZNQCLSA-N 2 1 399.333 1.939 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1Br ZINC000415623998 531504588 /nfs/dbraw/zinc/50/45/88/531504588.db2.gz ITXMSWNKPGARPV-CYBMUJFWSA-N 2 1 397.317 1.708 20 0 GDADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662516334 531682261 /nfs/dbraw/zinc/68/22/61/531682261.db2.gz FWEVRZVLSBHXCL-JTQLQIEISA-N 2 1 385.331 1.234 20 0 GDADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000561190872 531682609 /nfs/dbraw/zinc/68/26/09/531682609.db2.gz HVEKTXOOPNLVRC-FVQHAEBGSA-N 2 1 393.329 1.931 20 0 GDADMP C[NH2+][C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1cccc(Cl)c1Cl ZINC000662580184 531689638 /nfs/dbraw/zinc/68/96/38/531689638.db2.gz OGZMYVPETOYKNC-BJJXKVORSA-N 2 1 382.295 1.941 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(Br)cn1 ZINC000505790392 531724826 /nfs/dbraw/zinc/72/48/26/531724826.db2.gz QMBUKFBACXEROH-OAHLLOKOSA-N 2 1 386.338 1.520 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000667663975 531783169 /nfs/dbraw/zinc/78/31/69/531783169.db2.gz OQGQBNLTELOENW-LBPRGKRZSA-N 2 1 397.321 1.408 20 0 GDADMP C[N@@H+](C[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1)C1CC1 ZINC000641222039 531788978 /nfs/dbraw/zinc/78/89/78/531788978.db2.gz JNROVYITTBHKNR-HOCLYGCPSA-N 2 1 380.290 1.544 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000577055632 532031606 /nfs/dbraw/zinc/03/16/06/532031606.db2.gz VUKXRXDQBHBZGA-AWEZNQCLSA-N 2 1 390.311 1.487 20 0 GDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000428232948 532201531 /nfs/dbraw/zinc/20/15/31/532201531.db2.gz PNXBJEHCYKWHIU-UONOGXRCSA-N 2 1 399.333 1.176 20 0 GDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736857497 599080493 /nfs/dbraw/zinc/08/04/93/599080493.db2.gz OGCGLCMWUHCJBK-SFHVURJKSA-N 2 1 385.516 1.347 20 0 GDADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736857497 599080496 /nfs/dbraw/zinc/08/04/96/599080496.db2.gz OGCGLCMWUHCJBK-SFHVURJKSA-N 2 1 385.516 1.347 20 0 GDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736867191 598383095 /nfs/dbraw/zinc/38/30/95/598383095.db2.gz JZESFYATJIZTAM-UHFFFAOYSA-N 2 1 393.455 1.064 20 0 GDADMP CC(C)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCC(C)CC1 ZINC000736277877 598521187 /nfs/dbraw/zinc/52/11/87/598521187.db2.gz NLNDIFWSKUQOJL-WBVHZDCISA-N 2 1 387.536 1.451 20 0 GDADMP C[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736847594 599318098 /nfs/dbraw/zinc/31/80/98/599318098.db2.gz VKPVKHYZXYOCOE-UHFFFAOYSA-N 2 1 383.500 1.243 20 0 GDADMP O[C@H](C[NH+]1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1)c1ccccc1 ZINC000823675585 599432041 /nfs/dbraw/zinc/43/20/41/599432041.db2.gz YDEYNLIOPAKACL-GOSISDBHSA-N 2 1 382.468 1.995 20 0 GDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826331461 609337192 /nfs/dbraw/zinc/33/71/92/609337192.db2.gz JNAKMZNFJMUPEW-UHFFFAOYSA-N 2 1 377.456 1.952 20 0 GDADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261597015 645114434 /nfs/dbraw/zinc/11/44/34/645114434.db2.gz AAHYNYWOCGVPOR-MRXNPFEDSA-N 2 1 395.345 1.387 20 0 GDADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351623 645941573 /nfs/dbraw/zinc/94/15/73/645941573.db2.gz XRDHVUWCYPAAGX-BBRMVZONSA-N 2 1 381.318 1.756 20 0 GDADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351623 645941574 /nfs/dbraw/zinc/94/15/74/645941574.db2.gz XRDHVUWCYPAAGX-BBRMVZONSA-N 2 1 381.318 1.756 20 0 GDADMP C[C@@H]1C[C@@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)CC[NH2+]1 ZINC000595951891 652429201 /nfs/dbraw/zinc/42/92/01/652429201.db2.gz VCPHVIFMETXLPA-SFYZADRCSA-N 2 1 391.278 1.826 20 0 GDADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1cccc(Br)c1 ZINC000647517872 653627988 /nfs/dbraw/zinc/62/79/88/653627988.db2.gz QDPVMGKQVRUSSO-INIZCTEOSA-N 2 1 387.318 1.625 20 0 GDADMP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843364774 655393771 /nfs/dbraw/zinc/39/37/71/655393771.db2.gz RRIGOENDZURGQN-UHFFFAOYSA-N 2 1 386.905 1.001 20 0 GDADMP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843364774 655393772 /nfs/dbraw/zinc/39/37/72/655393772.db2.gz RRIGOENDZURGQN-UHFFFAOYSA-N 2 1 386.905 1.001 20 0 GDADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1sc2c(c1Br)C[NH2+]C2 ZINC000852798442 655622896 /nfs/dbraw/zinc/62/28/96/655622896.db2.gz KGEXGUJHZYUPBH-UWVGGRQHSA-N 2 1 386.315 1.707 20 0 GDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1sc2c(c1Br)C[NH2+]C2 ZINC000852798442 655622898 /nfs/dbraw/zinc/62/28/98/655622898.db2.gz KGEXGUJHZYUPBH-UWVGGRQHSA-N 2 1 386.315 1.707 20 0 GDADMP COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873209288 656389790 /nfs/dbraw/zinc/38/97/90/656389790.db2.gz LBRSVZMDURDHGR-MRXNPFEDSA-N 2 1 387.571 1.266 20 0 GDADMP COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873209288 656389793 /nfs/dbraw/zinc/38/97/93/656389793.db2.gz LBRSVZMDURDHGR-MRXNPFEDSA-N 2 1 387.571 1.266 20 0 GDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)s3)C2)[C@H]1C(C)C ZINC000922395575 656473988 /nfs/dbraw/zinc/47/39/88/656473988.db2.gz TZGLLTDBLYFAPD-SRABZTEZSA-N 2 1 387.571 1.355 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923280128 656542344 /nfs/dbraw/zinc/54/23/44/656542344.db2.gz FETBIPQZOWMMKJ-QWHCGFSZSA-N 2 1 390.311 1.520 20 0 GDADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)nn1 ZINC000923411718 656550744 /nfs/dbraw/zinc/55/07/44/656550744.db2.gz RCWFIEGPSPMYPH-OLZOCXBDSA-N 2 1 386.283 1.730 20 0 GDADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)nn1 ZINC000923412855 656550758 /nfs/dbraw/zinc/55/07/58/656550758.db2.gz YQTORCXLFKYMIQ-ZIAGYGMSSA-N 2 1 386.283 1.730 20 0 GDADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789383 656984613 /nfs/dbraw/zinc/98/46/13/656984613.db2.gz DRKHFZWIFLFNCV-CVEARBPZSA-N 2 1 375.579 1.262 20 0 GDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789383 656984615 /nfs/dbraw/zinc/98/46/15/656984615.db2.gz DRKHFZWIFLFNCV-CVEARBPZSA-N 2 1 375.579 1.262 20 0 GDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789383 656984618 /nfs/dbraw/zinc/98/46/18/656984618.db2.gz DRKHFZWIFLFNCV-CVEARBPZSA-N 2 1 375.579 1.262 20 0 GDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789383 656984622 /nfs/dbraw/zinc/98/46/22/656984622.db2.gz DRKHFZWIFLFNCV-CVEARBPZSA-N 2 1 375.579 1.262 20 0 GDADMP CCN(C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000887004628 657735345 /nfs/dbraw/zinc/73/53/45/657735345.db2.gz SBEMCNVWZLBYEV-CQSZACIVSA-N 2 1 397.317 1.660 20 0 GDADMP C[C@@]1(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1(Cl)Cl ZINC000903562176 659341665 /nfs/dbraw/zinc/34/16/65/659341665.db2.gz FYFRAFMMIDKPQI-ZNMIVQPWSA-N 2 1 396.384 1.801 20 0 GDADMP C[C@@]1(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1(Cl)Cl ZINC000903562176 659341673 /nfs/dbraw/zinc/34/16/73/659341673.db2.gz FYFRAFMMIDKPQI-ZNMIVQPWSA-N 2 1 396.384 1.801 20 0 GDADMP C[NH+]1CCC(Oc2ccnc(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c2)CC1 ZINC001164416227 718885563 /nfs/dbraw/zinc/88/55/63/718885563.db2.gz UWGHKBJQDWEKEK-UHFFFAOYSA-N 2 1 383.500 1.245 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164859525 720858875 /nfs/dbraw/zinc/85/88/75/720858875.db2.gz UFRSNAUKILNHNK-AEFFLSMTSA-N 2 1 389.500 1.251 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@H]2C1 ZINC001164859525 720858878 /nfs/dbraw/zinc/85/88/78/720858878.db2.gz UFRSNAUKILNHNK-AEFFLSMTSA-N 2 1 389.500 1.251 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164859529 720859837 /nfs/dbraw/zinc/85/98/37/720859837.db2.gz UFRSNAUKILNHNK-SJLPKXTDSA-N 2 1 389.500 1.251 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001164859529 720859840 /nfs/dbraw/zinc/85/98/40/720859840.db2.gz UFRSNAUKILNHNK-SJLPKXTDSA-N 2 1 389.500 1.251 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)C[C@@H]3C2)cn1 ZINC001164763330 721172623 /nfs/dbraw/zinc/17/26/23/721172623.db2.gz FLLBUCLKFUEMJS-MOPGFXCFSA-N 2 1 381.528 1.635 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164809599 721533663 /nfs/dbraw/zinc/53/36/63/721533663.db2.gz VRJPTKKOBDFDEX-KCZVDYSFSA-N 2 1 379.508 1.991 20 0 GDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735857552 944705771 /nfs/dbraw/zinc/70/57/71/944705771.db2.gz VCSUNGXAJKRJQB-GOSISDBHSA-N 2 1 388.516 1.659 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571281796 945812378 /nfs/dbraw/zinc/81/23/78/945812378.db2.gz AFVMGOCETSLCIF-RCBQFDQVSA-N 2 1 387.463 1.084 20 0 GDADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282628 945855876 /nfs/dbraw/zinc/85/58/76/945855876.db2.gz MQVCPVHSHTZZAX-GOEBONIOSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282628 945855891 /nfs/dbraw/zinc/85/58/91/945855891.db2.gz MQVCPVHSHTZZAX-GOEBONIOSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282628 945855905 /nfs/dbraw/zinc/85/59/05/945855905.db2.gz MQVCPVHSHTZZAX-GOEBONIOSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282628 945855919 /nfs/dbraw/zinc/85/59/19/945855919.db2.gz MQVCPVHSHTZZAX-GOEBONIOSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574918609 948852820 /nfs/dbraw/zinc/85/28/20/948852820.db2.gz OQEWYYQFYXBESU-INIZCTEOSA-N 2 1 385.516 1.679 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926019 948980352 /nfs/dbraw/zinc/98/03/52/948980352.db2.gz GJUJAXSHSQPZJM-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926019 948980361 /nfs/dbraw/zinc/98/03/61/948980361.db2.gz GJUJAXSHSQPZJM-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926019 948980369 /nfs/dbraw/zinc/98/03/69/948980369.db2.gz GJUJAXSHSQPZJM-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575270763 949601585 /nfs/dbraw/zinc/60/15/85/949601585.db2.gz GBXGTQPYHLBCAW-QAPCUYQASA-N 2 1 385.516 1.535 20 0 GDADMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575876051 949637467 /nfs/dbraw/zinc/63/74/67/949637467.db2.gz IUAKTQMBMCYMDR-YJBOKZPZSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574715969 949675210 /nfs/dbraw/zinc/67/52/10/949675210.db2.gz GQQKVTFHNYRBFD-KBPBESRZSA-N 2 1 391.545 1.739 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574725591 949901440 /nfs/dbraw/zinc/90/14/40/949901440.db2.gz SWYUZFRKNRZTGQ-ZDUSSCGKSA-N 2 1 377.468 1.283 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574150990 950053259 /nfs/dbraw/zinc/05/32/59/950053259.db2.gz ITFDHMMOQJOQLH-ROUUACIJSA-N 2 1 385.516 1.581 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576192827 950268969 /nfs/dbraw/zinc/26/89/69/950268969.db2.gz PSNXRMXQPKNHFH-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576193008 950279283 /nfs/dbraw/zinc/27/92/83/950279283.db2.gz QQQADSQRWOPNJY-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576197248 950385841 /nfs/dbraw/zinc/38/58/41/950385841.db2.gz LYIZFIAGATVZFS-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576198344 950405546 /nfs/dbraw/zinc/40/55/46/950405546.db2.gz SBIHACLVANNMDP-DOTOQJQBSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576202874 950437901 /nfs/dbraw/zinc/43/79/01/950437901.db2.gz DMENVXIERGABTQ-INIZCTEOSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204821 950476196 /nfs/dbraw/zinc/47/61/96/950476196.db2.gz CTOLIFRAPZEBAB-QWHCGFSZSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204821 950476214 /nfs/dbraw/zinc/47/62/14/950476214.db2.gz CTOLIFRAPZEBAB-QWHCGFSZSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204821 950476227 /nfs/dbraw/zinc/47/62/27/950476227.db2.gz CTOLIFRAPZEBAB-QWHCGFSZSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576205587 950530534 /nfs/dbraw/zinc/53/05/34/950530534.db2.gz KEEVNDSUWIHUGG-WFASDCNBSA-N 2 1 389.529 1.254 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576216423 950732160 /nfs/dbraw/zinc/73/21/60/950732160.db2.gz YZBUTAGOAPAVCI-QEJZJMRPSA-N 2 1 387.463 1.084 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575080855 951718187 /nfs/dbraw/zinc/71/81/87/951718187.db2.gz NXHMUCJRAZNREJ-WBMJQRKESA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575095734 951813467 /nfs/dbraw/zinc/81/34/67/951813467.db2.gz WBHUZRYWGBSESZ-YJBOKZPZSA-N 2 1 385.516 1.678 20 0 GDADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001571234448 953202270 /nfs/dbraw/zinc/20/22/70/953202270.db2.gz XYQYIXFYTUWDJW-BPQIPLTHSA-N 2 1 383.500 1.240 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234669 953204788 /nfs/dbraw/zinc/20/47/88/953204788.db2.gz FQUAIDPTJWWGAU-SJLPKXTDSA-N 2 1 383.500 1.147 20 0 GDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571249660 953305351 /nfs/dbraw/zinc/30/53/51/953305351.db2.gz KEGLFCRAZXBJBU-YOEHRIQHSA-N 2 1 384.488 1.077 20 0 GDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571249660 953305355 /nfs/dbraw/zinc/30/53/55/953305355.db2.gz KEGLFCRAZXBJBU-YOEHRIQHSA-N 2 1 384.488 1.077 20 0 GDADMP Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252501 953329629 /nfs/dbraw/zinc/32/96/29/953329629.db2.gz NZISLFLXWAKKQD-GDBMZVCRSA-N 2 1 384.488 1.139 20 0 GDADMP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1cccc(Cl)c1 ZINC000261999845 531104825 /nfs/dbraw/zinc/10/48/25/531104825.db2.gz UKOAZIZADWOEDC-BRWVUGGUSA-N 2 1 387.933 1.365 20 0 GDADMP COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261819084 531099745 /nfs/dbraw/zinc/09/97/45/531099745.db2.gz IEJRSKGFDCCVTL-UHFFFAOYSA-N 2 1 387.933 1.655 20 0 GDADMP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000261870704 531101330 /nfs/dbraw/zinc/10/13/30/531101330.db2.gz LGCSYZKIGWDUBY-OAHLLOKOSA-N 2 1 381.318 1.676 20 0 GDADMP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000261870704 531101333 /nfs/dbraw/zinc/10/13/33/531101333.db2.gz LGCSYZKIGWDUBY-OAHLLOKOSA-N 2 1 381.318 1.676 20 0 GDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414321597 531440376 /nfs/dbraw/zinc/44/03/76/531440376.db2.gz CYYWYXWVMLRROF-UHFFFAOYSA-N 2 1 388.965 1.351 20 0 GDADMP C[NH2+]CCN(C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415785077 531529892 /nfs/dbraw/zinc/52/98/92/531529892.db2.gz HRBDFWDBRBPKJM-UHFFFAOYSA-N 2 1 385.310 1.279 20 0 GDADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595949543 531894669 /nfs/dbraw/zinc/89/46/69/531894669.db2.gz WPOJVKJWNUBRBP-JGVFFNPUSA-N 2 1 391.278 1.765 20 0 GDADMP CN(C(=O)c1sc2c(c1I)C[NH2+]C2)[C@H](C[NH3+])C1CC1 ZINC000595965448 531901289 /nfs/dbraw/zinc/90/12/89/531901289.db2.gz YTJGXQCNWKPKFK-SECBINFHSA-N 2 1 391.278 1.765 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000430612153 532253562 /nfs/dbraw/zinc/25/35/62/532253562.db2.gz RAKHAOIKTDPXJH-CYBMUJFWSA-N 2 1 397.317 1.565 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000430612154 532253566 /nfs/dbraw/zinc/25/35/66/532253566.db2.gz RAKHAOIKTDPXJH-ZDUSSCGKSA-N 2 1 397.317 1.565 20 0 GDADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Br)cc2cccnc21 ZINC000430600135 532253794 /nfs/dbraw/zinc/25/37/94/532253794.db2.gz AFQUSULPJUAIRA-UHFFFAOYSA-N 2 1 377.286 1.861 20 0 GDADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Br)cc2cccnc21 ZINC000430600135 532253798 /nfs/dbraw/zinc/25/37/98/532253798.db2.gz AFQUSULPJUAIRA-UHFFFAOYSA-N 2 1 377.286 1.861 20 0 GDADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000430954714 532258657 /nfs/dbraw/zinc/25/86/57/532258657.db2.gz KGJWIANFZCLQIU-LBPRGKRZSA-N 2 1 397.317 1.563 20 0 GDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736145609 598349345 /nfs/dbraw/zinc/34/93/45/598349345.db2.gz CZKREMCYTNPKIS-INIZCTEOSA-N 2 1 388.516 1.660 20 0 GDADMP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000737549724 598749645 /nfs/dbraw/zinc/74/96/45/598749645.db2.gz YASPRGILYICUSK-LBPRGKRZSA-N 2 1 375.477 1.677 20 0 GDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736569837 598814018 /nfs/dbraw/zinc/81/40/18/598814018.db2.gz JDSMJGRMYLTAFV-IBGZPJMESA-N 2 1 397.527 1.775 20 0 GDADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736569837 598814019 /nfs/dbraw/zinc/81/40/19/598814019.db2.gz JDSMJGRMYLTAFV-IBGZPJMESA-N 2 1 397.527 1.775 20 0 GDADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736569837 598814020 /nfs/dbraw/zinc/81/40/20/598814020.db2.gz JDSMJGRMYLTAFV-IBGZPJMESA-N 2 1 397.527 1.775 20 0 GDADMP Cc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nc(C)[nH+]1 ZINC000822207452 606859214 /nfs/dbraw/zinc/85/92/14/606859214.db2.gz XEYMRVGYVRROKX-MSOLQXFVSA-N 2 1 394.483 1.566 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000822505597 607172223 /nfs/dbraw/zinc/17/22/23/607172223.db2.gz OEAYICZHDGJRMW-QZTJIDSGSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000822505597 607172224 /nfs/dbraw/zinc/17/22/24/607172224.db2.gz OEAYICZHDGJRMW-QZTJIDSGSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000822505597 607172225 /nfs/dbraw/zinc/17/22/25/607172225.db2.gz OEAYICZHDGJRMW-QZTJIDSGSA-N 2 1 393.499 1.807 20 0 GDADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000825856562 608625500 /nfs/dbraw/zinc/62/55/00/608625500.db2.gz XAVKILLYAAPXPE-UHFFFAOYSA-N 2 1 389.504 1.376 20 0 GDADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467121256 647633498 /nfs/dbraw/zinc/63/34/98/647633498.db2.gz WAJHBODLWCOSDM-LBPRGKRZSA-N 2 1 399.333 1.906 20 0 GDADMP COc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1S(N)(=O)=O ZINC000511989247 648394245 /nfs/dbraw/zinc/39/42/45/648394245.db2.gz KVRWGZSWSAKBKG-UHFFFAOYSA-N 2 1 384.527 1.193 20 0 GDADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000514127649 648449494 /nfs/dbraw/zinc/44/94/94/648449494.db2.gz XPLIPXQGWBVEGG-GOSISDBHSA-N 2 1 375.579 1.338 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527653176 648707551 /nfs/dbraw/zinc/70/75/51/648707551.db2.gz LMMDYYFVIYOEGP-UHFFFAOYSA-N 2 1 376.245 1.981 20 0 GDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000572379633 651095670 /nfs/dbraw/zinc/09/56/70/651095670.db2.gz MBMVDIWZMDLTEY-YPMHNXCESA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000572379633 651095672 /nfs/dbraw/zinc/09/56/72/651095672.db2.gz MBMVDIWZMDLTEY-YPMHNXCESA-N 2 1 381.274 1.022 20 0 GDADMP O=C(NC[C@H]1CCC[NH2+]C1)c1sc2c(c1I)C[NH2+]C2 ZINC000595920501 652426847 /nfs/dbraw/zinc/42/68/47/652426847.db2.gz RSSGIVAEHIBYCD-QMMMGPOBSA-N 2 1 391.278 1.685 20 0 GDADMP C[NH2+]C1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC1 ZINC000595924015 652426992 /nfs/dbraw/zinc/42/69/92/652426992.db2.gz FMTIGZJUMPXLOU-UHFFFAOYSA-N 2 1 391.278 1.780 20 0 GDADMP C[NH2+]C[C@@H]1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595925095 652427265 /nfs/dbraw/zinc/42/72/65/652427265.db2.gz UVVOONHLCANDPH-QMMMGPOBSA-N 2 1 391.278 1.637 20 0 GDADMP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000629511274 653168119 /nfs/dbraw/zinc/16/81/19/653168119.db2.gz LYKRLMOHYGRIBI-MRXNPFEDSA-N 2 1 381.318 1.539 20 0 GDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000629511274 653168125 /nfs/dbraw/zinc/16/81/25/653168125.db2.gz LYKRLMOHYGRIBI-MRXNPFEDSA-N 2 1 381.318 1.539 20 0 GDADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631040321 653229469 /nfs/dbraw/zinc/22/94/69/653229469.db2.gz BQLHEDLQHOFIMA-UHFFFAOYSA-N 2 1 388.965 1.495 20 0 GDADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000638359076 653538733 /nfs/dbraw/zinc/53/87/33/653538733.db2.gz GVKBFRAFHWKJRZ-UHFFFAOYSA-N 2 1 388.965 1.495 20 0 GDADMP CN(CC[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000639169697 653547968 /nfs/dbraw/zinc/54/79/68/653547968.db2.gz IOAREDXNKLQIMN-UHFFFAOYSA-N 2 1 388.965 1.445 20 0 GDADMP CN(CC[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000639169697 653547970 /nfs/dbraw/zinc/54/79/70/653547970.db2.gz IOAREDXNKLQIMN-UHFFFAOYSA-N 2 1 388.965 1.445 20 0 GDADMP C[NH+]1CCN([C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655910600 653993184 /nfs/dbraw/zinc/99/31/84/653993184.db2.gz ZYSJUQGRYASWEL-AAEUAGOBSA-N 2 1 379.452 1.225 20 0 GDADMP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@@H]1C[NH3+] ZINC000923497720 656556294 /nfs/dbraw/zinc/55/62/94/656556294.db2.gz CXJJRUUCAMKASX-CHWSQXEVSA-N 2 1 397.317 1.421 20 0 GDADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000923490841 656556379 /nfs/dbraw/zinc/55/63/79/656556379.db2.gz WIWNAPCXVKHCNE-LBPRGKRZSA-N 2 1 383.290 1.175 20 0 GDADMP C[NH+]1CCC(NC(=O)C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)CC1 ZINC000880221302 656876208 /nfs/dbraw/zinc/87/62/08/656876208.db2.gz CWDDPTJESDUZGV-MAEOIBBWSA-N 2 1 396.329 1.599 20 0 GDADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2I)C1 ZINC000911636291 660013056 /nfs/dbraw/zinc/01/30/56/660013056.db2.gz VOOUAVPYGNRTDZ-FZMZJTMJSA-N 2 1 387.265 1.749 20 0 GDADMP COC(=O)c1nc(Cl)cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680220 719645094 /nfs/dbraw/zinc/64/50/94/719645094.db2.gz SGFATECXCIKRTJ-UHFFFAOYSA-N 2 1 378.864 1.588 20 0 GDADMP COC(=O)c1nc(Cl)cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680220 719645096 /nfs/dbraw/zinc/64/50/96/719645096.db2.gz SGFATECXCIKRTJ-UHFFFAOYSA-N 2 1 378.864 1.588 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164822039 720297005 /nfs/dbraw/zinc/29/70/05/720297005.db2.gz MLQKGAWZLJCWIP-ROUUACIJSA-N 2 1 386.544 1.763 20 0 GDADMP Clc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164744761 720747479 /nfs/dbraw/zinc/74/74/79/720747479.db2.gz SKFFGVUMCCQPRF-UONOGXRCSA-N 2 1 386.887 1.513 20 0 GDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164752022 720861393 /nfs/dbraw/zinc/86/13/93/720861393.db2.gz SNTOEYPXIJIDSZ-IMFGXOCKSA-N 2 1 394.527 1.134 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164772701 721089220 /nfs/dbraw/zinc/08/92/20/721089220.db2.gz VTKXOVWENVYSSC-LSDHHAIUSA-N 2 1 387.919 1.468 20 0 GDADMP Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(N(C)C)[nH+]1 ZINC001164982748 722103136 /nfs/dbraw/zinc/10/31/36/722103136.db2.gz OHSDZIDQASJDQX-RTBURBONSA-N 2 1 382.512 1.973 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164982748 722103138 /nfs/dbraw/zinc/10/31/38/722103138.db2.gz OHSDZIDQASJDQX-RTBURBONSA-N 2 1 382.512 1.973 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164982748 722103141 /nfs/dbraw/zinc/10/31/41/722103141.db2.gz OHSDZIDQASJDQX-RTBURBONSA-N 2 1 382.512 1.973 20 0 GDADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571284887 945908243 /nfs/dbraw/zinc/90/82/43/945908243.db2.gz VYUXRTPDGKDHIW-CYBMUJFWSA-N 2 1 387.513 1.057 20 0 GDADMP COCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826159589 947503518 /nfs/dbraw/zinc/50/35/18/947503518.db2.gz KSFJOFHMJDBIOU-HXUWFJFHSA-N 2 1 399.543 1.532 20 0 GDADMP COCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826159589 947503530 /nfs/dbraw/zinc/50/35/30/947503530.db2.gz KSFJOFHMJDBIOU-HXUWFJFHSA-N 2 1 399.543 1.532 20 0 GDADMP O=C1OCCN1CCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826483651 948397839 /nfs/dbraw/zinc/39/78/39/948397839.db2.gz VGORRLBUEDVQFO-UHFFFAOYSA-N 2 1 385.472 1.263 20 0 GDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575264179 949415812 /nfs/dbraw/zinc/41/58/12/949415812.db2.gz MJAWXJIIAWUAJT-SJKOYZFVSA-N 2 1 387.463 1.037 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574956993 949591577 /nfs/dbraw/zinc/59/15/77/949591577.db2.gz PDVZPVDKCQUWLZ-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574956993 949591592 /nfs/dbraw/zinc/59/15/92/949591592.db2.gz PDVZPVDKCQUWLZ-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574956993 949591615 /nfs/dbraw/zinc/59/16/15/949591615.db2.gz PDVZPVDKCQUWLZ-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575271372 949619819 /nfs/dbraw/zinc/61/98/19/949619819.db2.gz JWMKPICFWLPRLV-YJBOKZPZSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574715734 949665799 /nfs/dbraw/zinc/66/57/99/949665799.db2.gz FZMQJQWXUNHTKD-DOTOQJQBSA-N 2 1 385.516 1.678 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574150640 950038548 /nfs/dbraw/zinc/03/85/48/950038548.db2.gz CVVAVAAOWKBUBD-ZWKOTPCHSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576191109 950185826 /nfs/dbraw/zinc/18/58/26/950185826.db2.gz DOADOXNTUSIOPC-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576194504 950349821 /nfs/dbraw/zinc/34/98/21/950349821.db2.gz ZMNCXWLZUWWNAS-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576197899 950400278 /nfs/dbraw/zinc/40/02/78/950400278.db2.gz PHSYFVPCAQNRJA-UKRRQHHQSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576197901 950400749 /nfs/dbraw/zinc/40/07/49/950400749.db2.gz PHSYFVPCAQNRJA-ZFWWWQNUSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576204798 950476677 /nfs/dbraw/zinc/47/66/77/950476677.db2.gz CORCUCHFHIJKDE-KGLIPLIRSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205806 950540786 /nfs/dbraw/zinc/54/07/86/950540786.db2.gz PSQJYECGAJOGFM-DOTOQJQBSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205806 950540804 /nfs/dbraw/zinc/54/08/04/950540804.db2.gz PSQJYECGAJOGFM-DOTOQJQBSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205806 950540828 /nfs/dbraw/zinc/54/08/28/950540828.db2.gz PSQJYECGAJOGFM-DOTOQJQBSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576206845 950583590 /nfs/dbraw/zinc/58/35/90/950583590.db2.gz ZGMHSYQIHGWSSA-KBXCAEBGSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576206848 950583733 /nfs/dbraw/zinc/58/37/33/950583733.db2.gz ZGMHSYQIHGWSSA-KSSFIOAISA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)C1 ZINC001576207387 950596053 /nfs/dbraw/zinc/59/60/53/950596053.db2.gz GTKGEBQIPQILNJ-IIDMSEBBSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)C1 ZINC001576207387 950596075 /nfs/dbraw/zinc/59/60/75/950596075.db2.gz GTKGEBQIPQILNJ-IIDMSEBBSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)C1 ZINC001576207387 950596087 /nfs/dbraw/zinc/59/60/87/950596087.db2.gz GTKGEBQIPQILNJ-IIDMSEBBSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576216059 950725741 /nfs/dbraw/zinc/72/57/41/950725741.db2.gz YETQJKXCOGOGNH-ZOBUZTSGSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100215 951845728 /nfs/dbraw/zinc/84/57/28/951845728.db2.gz SBQFDTZGRRHXIZ-STQMWFEESA-N 2 1 377.518 1.112 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106577 951905524 /nfs/dbraw/zinc/90/55/24/951905524.db2.gz SIFBMRZTHUMIKL-HNNXBMFYSA-N 2 1 387.532 1.687 20 0 GDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575145289 952182195 /nfs/dbraw/zinc/18/21/95/952182195.db2.gz VGVLTSSFYFYDGA-WMLDXEAASA-N 2 1 386.504 1.205 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169631 952776120 /nfs/dbraw/zinc/77/61/20/952776120.db2.gz IQKDTSKZOIAJBF-HNNXBMFYSA-N 2 1 380.456 1.010 20 0 GDADMP COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000873190638 1126118043 /nfs/dbraw/zinc/11/80/43/1126118043.db2.gz BPUKDLQOWBMTTH-NRFANRHFSA-N 2 1 385.512 1.320 20 0 GDADMP C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(I)cc2)CC1 ZINC000177283674 530700364 /nfs/dbraw/zinc/70/03/64/530700364.db2.gz BLCCKXIXHKLGNT-AWEZNQCLSA-N 2 1 390.265 1.715 20 0 GDADMP O=C(C[C@@H]1CSCC[NH2+]1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000237863584 531051498 /nfs/dbraw/zinc/05/14/98/531051498.db2.gz KVRNJDDPRQKXEX-MRXNPFEDSA-N 2 1 382.961 1.673 20 0 GDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261661560 531095143 /nfs/dbraw/zinc/09/51/43/531095143.db2.gz FFMYRFJXRDUFDW-RDJZCZTQSA-N 2 1 384.318 1.850 20 0 GDADMP CCSc1nnc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)s1 ZINC000437649172 531300453 /nfs/dbraw/zinc/30/04/53/531300453.db2.gz IPGCENIBHBUODW-ZDUSSCGKSA-N 2 1 386.591 2.530 20 0 GDADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC000411509940 531327043 /nfs/dbraw/zinc/32/70/43/531327043.db2.gz VSJUYYRKUKAGQT-MRXNPFEDSA-N 2 1 384.318 1.673 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415266721 531469448 /nfs/dbraw/zinc/46/94/48/531469448.db2.gz LUCCJRMWMNHYPF-GFCCVEGCSA-N 2 1 383.290 1.399 20 0 GDADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000582184280 531539980 /nfs/dbraw/zinc/53/99/80/531539980.db2.gz UOHPIEMGFMXZEL-CJNGLKHVSA-N 2 1 383.290 1.611 20 0 GDADMP CN(C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000561036811 531676029 /nfs/dbraw/zinc/67/60/29/531676029.db2.gz BCZJUEBFBGJBFD-CYBMUJFWSA-N 2 1 397.321 1.422 20 0 GDADMP CC[NH+](CC)CCS(=O)(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562052655 531732036 /nfs/dbraw/zinc/73/20/36/531732036.db2.gz OMDGQSASOUNEKT-CALCHBBNSA-N 2 1 375.579 1.479 20 0 GDADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595950372 531895042 /nfs/dbraw/zinc/89/50/42/531895042.db2.gz KZQULNJFHXUFRR-IONNQARKSA-N 2 1 391.278 1.684 20 0 GDADMP O=C(C[C@@H]1COCC[NH2+]1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000286015937 532127236 /nfs/dbraw/zinc/12/72/36/532127236.db2.gz JPBIDDYDXXVACD-QGZVFWFLSA-N 2 1 396.329 1.908 20 0 GDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000428232947 532201396 /nfs/dbraw/zinc/20/13/96/532201396.db2.gz PNXBJEHCYKWHIU-KGLIPLIRSA-N 2 1 399.333 1.176 20 0 GDADMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820129326 607325300 /nfs/dbraw/zinc/32/53/00/607325300.db2.gz ZJIOHVUTNSXVQE-HXUWFJFHSA-N 2 1 399.543 1.391 20 0 GDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000736859912 598618617 /nfs/dbraw/zinc/61/86/17/598618617.db2.gz KBASJHTZZLGJAC-QGZVFWFLSA-N 2 1 385.516 1.347 20 0 GDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000736859912 598618619 /nfs/dbraw/zinc/61/86/19/598618619.db2.gz KBASJHTZZLGJAC-QGZVFWFLSA-N 2 1 385.516 1.347 20 0 GDADMP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824295943 607472765 /nfs/dbraw/zinc/47/27/65/607472765.db2.gz BVHJQQBEJAITGO-UHFFFAOYSA-N 2 1 399.543 1.736 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000825452535 607677795 /nfs/dbraw/zinc/67/77/95/607677795.db2.gz PYOXOQJCIPOMBQ-QGZVFWFLSA-N 2 1 385.516 1.663 20 0 GDADMP O[C@H](C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681742 606853499 /nfs/dbraw/zinc/85/34/99/606853499.db2.gz JYWXJTPYAOWKLA-HXUWFJFHSA-N 2 1 378.480 1.938 20 0 GDADMP O[C@H](C[NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681742 606853500 /nfs/dbraw/zinc/85/35/00/606853500.db2.gz JYWXJTPYAOWKLA-HXUWFJFHSA-N 2 1 378.480 1.938 20 0 GDADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)COc1cc(F)cc(Br)c1 ZINC000566232955 650836565 /nfs/dbraw/zinc/83/65/65/650836565.db2.gz FNUWWIJLYDXQCZ-GJZGRUSLSA-N 2 1 391.281 1.374 20 0 GDADMP O[C@H](CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1)COc1cccc(Br)c1 ZINC000320872552 645254104 /nfs/dbraw/zinc/25/41/04/645254104.db2.gz ZMEFHXRMWBBVLL-UXLLHSPISA-N 2 1 385.302 1.642 20 0 GDADMP O[C@H](CNC[C@H]1C[N@H+]2CCC[C@H]2CO1)COc1cccc(Br)c1 ZINC000320872552 645254108 /nfs/dbraw/zinc/25/41/08/645254108.db2.gz ZMEFHXRMWBBVLL-UXLLHSPISA-N 2 1 385.302 1.642 20 0 GDADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423390387 646123899 /nfs/dbraw/zinc/12/38/99/646123899.db2.gz VXBPYMMUABGTNH-CKYFFXLPSA-N 2 1 376.320 1.888 20 0 GDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000484984261 647921662 /nfs/dbraw/zinc/92/16/62/647921662.db2.gz BVZFFOARLNMKSL-ZIAGYGMSSA-N 2 1 384.318 1.955 20 0 GDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000484984261 647921665 /nfs/dbraw/zinc/92/16/65/647921665.db2.gz BVZFFOARLNMKSL-ZIAGYGMSSA-N 2 1 384.318 1.955 20 0 GDADMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ncc(I)s2)CC1 ZINC000512148381 648398165 /nfs/dbraw/zinc/39/81/65/648398165.db2.gz WUXMFQONHVAMMW-NSHDSACASA-N 2 1 394.326 1.863 20 0 GDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ncc(I)s2)CC1 ZINC000586776710 652094361 /nfs/dbraw/zinc/09/43/61/652094361.db2.gz JBGWOTRDPMNFOD-UHFFFAOYSA-N 2 1 394.326 1.865 20 0 GDADMP CN(C(=O)c1sc2c(c1I)C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000595924520 652427202 /nfs/dbraw/zinc/42/72/02/652427202.db2.gz LWNZMEQTACRUKQ-SSDOTTSWSA-N 2 1 377.251 1.390 20 0 GDADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000631917368 653269870 /nfs/dbraw/zinc/26/98/70/653269870.db2.gz ODIYKXDVLMFRSU-OAHLLOKOSA-N 2 1 386.587 1.478 20 0 GDADMP C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CCC([NH3+])CC1 ZINC000843353603 655393506 /nfs/dbraw/zinc/39/35/06/655393506.db2.gz DNRNXQDFDAOPLU-UHFFFAOYSA-N 2 1 397.317 1.706 20 0 GDADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156054 656319200 /nfs/dbraw/zinc/31/92/00/656319200.db2.gz DFWVLFZEJNVRBB-WMZOPIPTSA-N 2 1 375.579 1.562 20 0 GDADMP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1Cl ZINC000923493954 656556250 /nfs/dbraw/zinc/55/62/50/656556250.db2.gz XIOMCMDFGFRRLW-GFCCVEGCSA-N 2 1 388.921 1.200 20 0 GDADMP C[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2Br)CC1 ZINC000878396646 656723045 /nfs/dbraw/zinc/72/30/45/656723045.db2.gz OGRIYEZGAUEPBC-INIZCTEOSA-N 2 1 384.318 1.673 20 0 GDADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC000903426728 659315545 /nfs/dbraw/zinc/31/55/45/659315545.db2.gz MBYIUGMQSWXKLT-QWHCGFSZSA-N 2 1 375.897 1.913 20 0 GDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905065745 659420270 /nfs/dbraw/zinc/42/02/70/659420270.db2.gz KUZXWOGHLCQBSB-CVEARBPZSA-N 2 1 375.579 1.309 20 0 GDADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(N5CC[NH2+]CC5)nn4)[C@@H]3C2)cc1 ZINC001164620436 719064032 /nfs/dbraw/zinc/06/40/32/719064032.db2.gz DYOZHERXCYYLLN-WOJBJXKFSA-N 2 1 378.524 1.987 20 0 GDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CC[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746183 720814959 /nfs/dbraw/zinc/81/49/59/720814959.db2.gz MBXDHNIDRAMYHI-IRFCIJBXSA-N 2 1 393.539 1.698 20 0 GDADMP Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C[NH3+])c1 ZINC001164743590 720841050 /nfs/dbraw/zinc/84/10/50/720841050.db2.gz JNYNFXCSYGTZAF-VAMGGRTRSA-N 2 1 381.528 1.820 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC[C@H]2C1 ZINC001164859516 720870062 /nfs/dbraw/zinc/87/00/62/720870062.db2.gz UFHYMNQISBRRLE-PKOBYXMFSA-N 3 1 389.544 1.183 20 0 GDADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)CC[C@H]2C1 ZINC001164859516 720870064 /nfs/dbraw/zinc/87/00/64/720870064.db2.gz UFHYMNQISBRRLE-PKOBYXMFSA-N 2 1 389.544 1.183 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)CC[C@H]2C1 ZINC001164859516 720870065 /nfs/dbraw/zinc/87/00/65/720870065.db2.gz UFHYMNQISBRRLE-PKOBYXMFSA-N 2 1 389.544 1.183 20 0 GDADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccnc(N3CC[NH+](C)CC3)n1)[C@H]2C ZINC001164864005 721011926 /nfs/dbraw/zinc/01/19/26/721011926.db2.gz WRODSEDTRTYOCM-KRWDZBQOSA-N 2 1 398.559 1.846 20 0 GDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccnc(N3CC[NH+](C)CC3)n1)[C@H]2C ZINC001164864005 721011933 /nfs/dbraw/zinc/01/19/33/721011933.db2.gz WRODSEDTRTYOCM-KRWDZBQOSA-N 2 1 398.559 1.846 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164772698 721088968 /nfs/dbraw/zinc/08/89/68/721088968.db2.gz VTKXOVWENVYSSC-CABCVRRESA-N 2 1 387.919 1.468 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(N5CCC([NH3+])CC5)n4)C[C@H]3C2)cn1 ZINC001164773399 721168646 /nfs/dbraw/zinc/16/86/46/721168646.db2.gz WYVXOMORPNJNEQ-QZTJIDSGSA-N 2 1 396.543 1.096 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164770783 721205460 /nfs/dbraw/zinc/20/54/60/721205460.db2.gz OJNIKANRXBYKGL-ZWKOTPCHSA-N 2 1 397.527 1.299 20 0 GDADMP Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164971309 722159167 /nfs/dbraw/zinc/15/91/67/722159167.db2.gz BQTPOBRSVURIFL-QUCCMNQESA-N 2 1 394.523 1.594 20 0 GDADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001571265128 945502058 /nfs/dbraw/zinc/50/20/58/945502058.db2.gz DKCODAYSIKETGY-ZWKOTPCHSA-N 2 1 385.516 1.630 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281948 945820894 /nfs/dbraw/zinc/82/08/94/945820894.db2.gz CAPJUMQQMMFJHV-UKRRQHHQSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571282286 945840003 /nfs/dbraw/zinc/84/00/03/945840003.db2.gz FZDAQBQNWIGDLY-ZOBUZTSGSA-N 2 1 387.463 1.227 20 0 GDADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282911 945866350 /nfs/dbraw/zinc/86/63/50/945866350.db2.gz VJXNCBVEGOQSOY-XJKSGUPXSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282911 945866360 /nfs/dbraw/zinc/86/63/60/945866360.db2.gz VJXNCBVEGOQSOY-XJKSGUPXSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282911 945866372 /nfs/dbraw/zinc/86/63/72/945866372.db2.gz VJXNCBVEGOQSOY-XJKSGUPXSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282911 945866389 /nfs/dbraw/zinc/86/63/89/945866389.db2.gz VJXNCBVEGOQSOY-XJKSGUPXSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282910 945866448 /nfs/dbraw/zinc/86/64/48/945866448.db2.gz VJXNCBVEGOQSOY-CZUORRHYSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282910 945866462 /nfs/dbraw/zinc/86/64/62/945866462.db2.gz VJXNCBVEGOQSOY-CZUORRHYSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282910 945866465 /nfs/dbraw/zinc/86/64/65/945866465.db2.gz VJXNCBVEGOQSOY-CZUORRHYSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282910 945866480 /nfs/dbraw/zinc/86/64/80/945866480.db2.gz VJXNCBVEGOQSOY-CZUORRHYSA-N 2 1 387.463 1.038 20 0 GDADMP O=C(N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001571285197 945910332 /nfs/dbraw/zinc/91/03/32/945910332.db2.gz ZHVVXMLQCUBUCU-CYBMUJFWSA-N 2 1 387.513 1.105 20 0 GDADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001571285197 945910338 /nfs/dbraw/zinc/91/03/38/945910338.db2.gz ZHVVXMLQCUBUCU-CYBMUJFWSA-N 2 1 387.513 1.105 20 0 GDADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575264178 949415717 /nfs/dbraw/zinc/41/57/17/949415717.db2.gz MJAWXJIIAWUAJT-SJCJKPOMSA-N 2 1 387.463 1.037 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574726237 949928848 /nfs/dbraw/zinc/92/88/48/949928848.db2.gz XYNGOALDYMPELD-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574151567 950085003 /nfs/dbraw/zinc/08/50/03/950085003.db2.gz VFIPMBFSTLZNEU-ZWKOTPCHSA-N 2 1 385.516 1.581 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574733180 950100605 /nfs/dbraw/zinc/10/06/05/950100605.db2.gz VCAHIYUTCJAVCH-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196202 950354857 /nfs/dbraw/zinc/35/48/57/950354857.db2.gz ANJPHQMWEUQIQX-RDJZCZTQSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576204715 950472872 /nfs/dbraw/zinc/47/28/72/950472872.db2.gz AYGGZNJVHZOAGI-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576204715 950472884 /nfs/dbraw/zinc/47/28/84/950472884.db2.gz AYGGZNJVHZOAGI-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576204715 950472900 /nfs/dbraw/zinc/47/29/00/950472900.db2.gz AYGGZNJVHZOAGI-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576205870 950545551 /nfs/dbraw/zinc/54/55/51/950545551.db2.gz QQYNXUWLSYAIAP-NXVRBGIVSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576214083 950662145 /nfs/dbraw/zinc/66/21/45/950662145.db2.gz MOSVVBRRFNWQHX-QEJZJMRPSA-N 2 1 387.463 1.084 20 0 GDADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001574771616 950930536 /nfs/dbraw/zinc/93/05/36/950930536.db2.gz HPLGKDNUWSGTIN-CXAGYDPISA-N 2 1 391.495 1.529 20 0 GDADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001574771616 950930546 /nfs/dbraw/zinc/93/05/46/950930546.db2.gz HPLGKDNUWSGTIN-CXAGYDPISA-N 2 1 391.495 1.529 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575080845 951716326 /nfs/dbraw/zinc/71/63/26/951716326.db2.gz NXHMUCJRAZNREJ-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082266 951732992 /nfs/dbraw/zinc/73/29/92/951732992.db2.gz WTCVZPTXZGSVEE-CYBMUJFWSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575101728 951863222 /nfs/dbraw/zinc/86/32/22/951863222.db2.gz IXBKSFSOTURFSE-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575101726 951863689 /nfs/dbraw/zinc/86/36/89/951863689.db2.gz IXBKSFSOTURFSE-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104119 951881814 /nfs/dbraw/zinc/88/18/14/951881814.db2.gz BNPFEHPGOWRCRB-YJBOKZPZSA-N 2 1 385.516 1.583 20 0 GDADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262562947 531124285 /nfs/dbraw/zinc/12/42/85/531124285.db2.gz WZMIHTGTNYKWSR-HZPDHXFCSA-N 2 1 382.302 1.253 20 0 GDADMP CO[C@H](C[NH3+])CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000262806161 531132109 /nfs/dbraw/zinc/13/21/09/531132109.db2.gz SFFJFSXBXNJDOX-INIZCTEOSA-N 2 1 384.318 1.894 20 0 GDADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000415297052 531472817 /nfs/dbraw/zinc/47/28/17/531472817.db2.gz JLKGEXLQBCLUPL-CYBMUJFWSA-N 2 1 383.290 1.270 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1Br ZINC000415382220 531481584 /nfs/dbraw/zinc/48/15/84/531481584.db2.gz RTKADVAFJKBSNT-CYBMUJFWSA-N 2 1 383.290 1.317 20 0 GDADMP C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415779378 531528542 /nfs/dbraw/zinc/52/85/42/531528542.db2.gz JGXZLDPVAWSNJX-LLVKDONJSA-N 2 1 385.306 1.693 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnn2cc(Br)cnc12 ZINC000617506754 531660400 /nfs/dbraw/zinc/66/04/00/531660400.db2.gz YHUTUBHNBDHMJG-LBPRGKRZSA-N 2 1 397.321 1.494 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnn2cc(Br)cnc12 ZINC000617506754 531660409 /nfs/dbraw/zinc/66/04/09/531660409.db2.gz YHUTUBHNBDHMJG-LBPRGKRZSA-N 2 1 397.321 1.494 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1Br ZINC000666217647 531756067 /nfs/dbraw/zinc/75/60/67/531756067.db2.gz HEAYTIGFIBYLAR-UHFFFAOYSA-N 2 1 376.320 1.672 20 0 GDADMP O=C(C[C@H]1COCC[NH2+]1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000286015934 532127864 /nfs/dbraw/zinc/12/78/64/532127864.db2.gz JPBIDDYDXXVACD-KRWDZBQOSA-N 2 1 396.329 1.908 20 0 GDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000428236242 532201235 /nfs/dbraw/zinc/20/12/35/532201235.db2.gz JICNYOVCXCJPMD-OAHLLOKOSA-N 2 1 385.350 1.617 20 0 GDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000428236512 532201340 /nfs/dbraw/zinc/20/13/40/532201340.db2.gz KAXCKQUTKPJERF-HOCLYGCPSA-N 2 1 386.334 1.826 20 0 GDADMP [NH3+]CC1CC[NH+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000430605716 532253581 /nfs/dbraw/zinc/25/35/81/532253581.db2.gz RSINUUJPUMLODK-UHFFFAOYSA-N 2 1 383.290 1.175 20 0 GDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736145610 598348799 /nfs/dbraw/zinc/34/87/99/598348799.db2.gz CZKREMCYTNPKIS-MRXNPFEDSA-N 2 1 388.516 1.660 20 0 GDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736858398 598620286 /nfs/dbraw/zinc/62/02/86/598620286.db2.gz ZBRZXMISYAMXOX-UHFFFAOYSA-N 2 1 383.500 1.243 20 0 GDADMP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000736767768 598784154 /nfs/dbraw/zinc/78/41/54/598784154.db2.gz SDLYFXXXMHBKKE-UHFFFAOYSA-N 2 1 386.504 1.034 20 0 GDADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000736195330 599318377 /nfs/dbraw/zinc/31/83/77/599318377.db2.gz GAFFIUZSDRBLGB-INIZCTEOSA-N 2 1 397.527 1.804 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000825849269 607525483 /nfs/dbraw/zinc/52/54/83/607525483.db2.gz JCIQVVFQCTUKBZ-FHLIZLRMSA-N 2 1 399.499 1.379 20 0 GDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821628621 606531136 /nfs/dbraw/zinc/53/11/36/606531136.db2.gz MMVJQUHLJMKYRO-UHFFFAOYSA-N 2 1 378.440 1.195 20 0 GDADMP C[NH+](C)C1(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000821581194 606831657 /nfs/dbraw/zinc/83/16/57/606831657.db2.gz FHIYXPJVXVZCMN-UHFFFAOYSA-N 2 1 383.500 1.385 20 0 GDADMP C[NH+](C)C1(C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000821581194 606831659 /nfs/dbraw/zinc/83/16/59/606831659.db2.gz FHIYXPJVXVZCMN-UHFFFAOYSA-N 2 1 383.500 1.385 20 0 GDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820480242 606894728 /nfs/dbraw/zinc/89/47/28/606894728.db2.gz HCRJRFWBGRIION-INIZCTEOSA-N 2 1 388.516 1.660 20 0 GDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825411678 608736866 /nfs/dbraw/zinc/73/68/66/608736866.db2.gz BSCPMRSGRYLKNO-KRWDZBQOSA-N 2 1 384.488 1.447 20 0 GDADMP O=C(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1F ZINC000420347776 645941011 /nfs/dbraw/zinc/94/10/11/645941011.db2.gz IIJKNPLZEMWSLT-CQSZACIVSA-N 2 1 399.308 1.896 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1Br ZINC000467238419 647638199 /nfs/dbraw/zinc/63/81/99/647638199.db2.gz MXBQMLFNUXCQOD-GFCCVEGCSA-N 2 1 397.317 1.517 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1Br ZINC000467238419 647638201 /nfs/dbraw/zinc/63/82/01/647638201.db2.gz MXBQMLFNUXCQOD-GFCCVEGCSA-N 2 1 397.317 1.517 20 0 GDADMP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Br)cn1 ZINC000517867575 648580414 /nfs/dbraw/zinc/58/04/14/648580414.db2.gz AKOWTQGNHXZCKZ-OAHLLOKOSA-N 2 1 385.350 1.885 20 0 GDADMP CCN(C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000522548813 648678133 /nfs/dbraw/zinc/67/81/33/648678133.db2.gz MQICYFRREXAXDX-ARFHVFGLSA-N 2 1 375.579 1.367 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC2CC[NH2+]CC2)cc1Br ZINC000574544095 651551131 /nfs/dbraw/zinc/55/11/31/651551131.db2.gz HVBOSYRKHHNDNK-UHFFFAOYSA-N 2 1 397.317 1.565 20 0 GDADMP [NH3+]CC1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC1 ZINC000595920299 652426834 /nfs/dbraw/zinc/42/68/34/652426834.db2.gz QUGYEVRSAIPVCE-UHFFFAOYSA-N 2 1 391.278 1.767 20 0 GDADMP O=C(NCC1CC[NH2+]CC1)c1sc2c(c1I)C[NH2+]C2 ZINC000595920581 652426875 /nfs/dbraw/zinc/42/68/75/652426875.db2.gz VSPCJWBYLRKLAU-UHFFFAOYSA-N 2 1 391.278 1.685 20 0 GDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595952126 652429466 /nfs/dbraw/zinc/42/94/66/652429466.db2.gz XLZNKVYCSAZYMN-HTQZYQBOSA-N 2 1 391.278 1.956 20 0 GDADMP C[N@H+]1CCC[C@H](CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000602473655 652638986 /nfs/dbraw/zinc/63/89/86/652638986.db2.gz CBWNZRDTDOCZDH-PYCCUYLESA-N 2 1 383.583 1.748 20 0 GDADMP C[C@@H]1CC[C@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C[NH2+]1 ZINC000602552181 652640879 /nfs/dbraw/zinc/64/08/79/652640879.db2.gz GLLWVDCGNFSLOP-SFYZADRCSA-N 2 1 391.278 1.826 20 0 GDADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000631922605 653271268 /nfs/dbraw/zinc/27/12/68/653271268.db2.gz AHHNFUDGWNXPGU-RHSMWYFYSA-N 2 1 386.587 1.649 20 0 GDADMP C[C@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000642052605 653576690 /nfs/dbraw/zinc/57/66/90/653576690.db2.gz WGUMTRZELDJBSF-NSHDSACASA-N 2 1 387.311 1.537 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@@H]1CCCC[C@@H]1OC ZINC000647897667 653636997 /nfs/dbraw/zinc/63/69/97/653636997.db2.gz INMJGQKYLBBELH-FGTMMUONSA-N 2 1 375.579 1.622 20 0 GDADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000662751546 654301590 /nfs/dbraw/zinc/30/15/90/654301590.db2.gz KESOPSLEPZMKMW-DLBZAZTESA-N 2 1 396.329 1.894 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)n(C)n1 ZINC000825568369 655491101 /nfs/dbraw/zinc/49/11/01/655491101.db2.gz OVARPYLCLJINLG-ZDUSSCGKSA-N 2 1 386.338 1.671 20 0 GDADMP C[C@]([NH3+])(C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000827936121 655517853 /nfs/dbraw/zinc/51/78/53/655517853.db2.gz DWTGUXSRVPIVSG-ZMSDIMECSA-N 2 1 382.302 1.602 20 0 GDADMP C[C@]([NH3+])(C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000827936118 655517882 /nfs/dbraw/zinc/51/78/82/655517882.db2.gz DWTGUXSRVPIVSG-BFYDXBDKSA-N 2 1 382.302 1.602 20 0 GDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Cn1ccc(Br)cc1=O ZINC000865800201 655927196 /nfs/dbraw/zinc/92/71/96/655927196.db2.gz WFNRVEWTQJPSLL-UHFFFAOYSA-N 2 1 399.333 1.095 20 0 GDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Cn1ccc(Br)cc1=O ZINC000865800201 655927198 /nfs/dbraw/zinc/92/71/98/655927198.db2.gz WFNRVEWTQJPSLL-UHFFFAOYSA-N 2 1 399.333 1.095 20 0 GDADMP CCO[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@H]1C[NH3+] ZINC000923387969 656548267 /nfs/dbraw/zinc/54/82/67/656548267.db2.gz PQUXNMWSKQSKHX-DJSGYFEHSA-N 2 1 391.281 1.624 20 0 GDADMP CCO[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@H]1C[NH3+] ZINC000923387969 656548270 /nfs/dbraw/zinc/54/82/70/656548270.db2.gz PQUXNMWSKQSKHX-DJSGYFEHSA-N 2 1 391.281 1.624 20 0 GDADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)nn1 ZINC000923410551 656550908 /nfs/dbraw/zinc/55/09/08/656550908.db2.gz HSGUCVMQXKCUAQ-ZIAGYGMSSA-N 2 1 386.283 1.730 20 0 GDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878158561 656709628 /nfs/dbraw/zinc/70/96/28/656709628.db2.gz JGYDDUHWKPHBIM-QWHCGFSZSA-N 2 1 376.295 1.903 20 0 GDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878158561 656709631 /nfs/dbraw/zinc/70/96/31/656709631.db2.gz JGYDDUHWKPHBIM-QWHCGFSZSA-N 2 1 376.295 1.903 20 0 GDADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925439945 656712687 /nfs/dbraw/zinc/71/26/87/656712687.db2.gz PJCZUTZCLJJGMO-IXDOHACOSA-N 2 1 375.579 1.526 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2ncc(Br)cn2n1 ZINC000912304849 660032542 /nfs/dbraw/zinc/03/25/42/660032542.db2.gz SJDKHFLUQMMZGC-LBPRGKRZSA-N 2 1 397.321 1.494 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2ncc(Br)cn2n1 ZINC000912304849 660032543 /nfs/dbraw/zinc/03/25/43/660032543.db2.gz SJDKHFLUQMMZGC-LBPRGKRZSA-N 2 1 397.321 1.494 20 0 GDADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCNC(=O)C34C[NH2+]C4)c2c1C ZINC001164410899 718878767 /nfs/dbraw/zinc/87/87/67/718878767.db2.gz JBJSWOHLTAVNDS-UHFFFAOYSA-N 2 1 386.525 1.182 20 0 GDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001164805871 720070121 /nfs/dbraw/zinc/07/01/21/720070121.db2.gz AHPQAQXALGYYBB-QRWLVFNGSA-N 2 1 391.947 1.960 20 0 GDADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)C2 ZINC001164810582 720131426 /nfs/dbraw/zinc/13/14/26/720131426.db2.gz KDDIDQMDIULYCI-VFNWGFHPSA-N 2 1 399.495 1.929 20 0 GDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)C2 ZINC001164810582 720131433 /nfs/dbraw/zinc/13/14/33/720131433.db2.gz KDDIDQMDIULYCI-VFNWGFHPSA-N 2 1 399.495 1.929 20 0 GDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH+]ccc3c2NC(=O)CO3)CC1 ZINC001164830907 720320626 /nfs/dbraw/zinc/32/06/26/720320626.db2.gz QLWISCXKDWNHQZ-CVEARBPZSA-N 2 1 399.495 1.324 20 0 GDADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@H+]3C2)c1 ZINC001164867514 721044988 /nfs/dbraw/zinc/04/49/88/721044988.db2.gz JICINQRIQSFRPA-ZWKOTPCHSA-N 2 1 380.496 1.040 20 0 GDADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164867673 721118591 /nfs/dbraw/zinc/11/85/91/721118591.db2.gz ZNFJPIVPMNZJHZ-WOJBJXKFSA-N 2 1 394.523 1.818 20 0 GDADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735857005 944705384 /nfs/dbraw/zinc/70/53/84/944705384.db2.gz OMILYBUHLCVQJP-UHFFFAOYSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574917813 948828149 /nfs/dbraw/zinc/82/81/49/948828149.db2.gz CFUJVSBFXQVEST-ZDUSSCGKSA-N 2 1 377.468 1.284 20 0 GDADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574917813 948828160 /nfs/dbraw/zinc/82/81/60/948828160.db2.gz CFUJVSBFXQVEST-ZDUSSCGKSA-N 2 1 377.468 1.284 20 0 GDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574704402 949386043 /nfs/dbraw/zinc/38/60/43/949386043.db2.gz BZDSJZSXJLZHFH-YJBOKZPZSA-N 2 1 385.516 1.676 20 0 GDADMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575876038 949636873 /nfs/dbraw/zinc/63/68/73/949636873.db2.gz IUAKTQMBMCYMDR-CRAIPNDOSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575877209 949658492 /nfs/dbraw/zinc/65/84/92/949658492.db2.gz LBARLXZONMRCDM-MAUKXSAKSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575881484 949724182 /nfs/dbraw/zinc/72/41/82/949724182.db2.gz YODOFCQMFHIITO-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574724963 949887562 /nfs/dbraw/zinc/88/75/62/949887562.db2.gz MZMUFFVWAISWBD-LBPRGKRZSA-N 2 1 377.518 1.349 20 0 GDADMP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576202600 950435540 /nfs/dbraw/zinc/43/55/40/950435540.db2.gz BRHCXEYUWTURLG-HUUCEWRRSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205807 950538126 /nfs/dbraw/zinc/53/81/26/950538126.db2.gz PSQJYECGAJOGFM-NVXWUHKLSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205807 950538142 /nfs/dbraw/zinc/53/81/42/950538142.db2.gz PSQJYECGAJOGFM-NVXWUHKLSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576205807 950538151 /nfs/dbraw/zinc/53/81/51/950538151.db2.gz PSQJYECGAJOGFM-NVXWUHKLSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001574772058 950956713 /nfs/dbraw/zinc/95/67/13/950956713.db2.gz PBUNPYOLSVNKLH-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001574772058 950956728 /nfs/dbraw/zinc/95/67/28/950956728.db2.gz PBUNPYOLSVNKLH-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574772058 950956741 /nfs/dbraw/zinc/95/67/41/950956741.db2.gz PBUNPYOLSVNKLH-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574772058 950956756 /nfs/dbraw/zinc/95/67/56/950956756.db2.gz PBUNPYOLSVNKLH-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575078929 951685916 /nfs/dbraw/zinc/68/59/16/951685916.db2.gz NVGHDQGJSDNNAJ-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099596 951837029 /nfs/dbraw/zinc/83/70/29/951837029.db2.gz NMURSGYKMXYCES-GFCCVEGCSA-N 2 1 377.518 1.254 20 0 GDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099842 951839268 /nfs/dbraw/zinc/83/92/68/951839268.db2.gz PEKSSUYXRQDCTH-DZGCQCFKSA-N 2 1 391.545 1.738 20 0 GDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234948 953207005 /nfs/dbraw/zinc/20/70/05/953207005.db2.gz NNWKSLAGXDXVLF-SFHVURJKSA-N 2 1 383.500 1.241 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571235022 953207990 /nfs/dbraw/zinc/20/79/90/953207990.db2.gz PYFSEFMCTMJSEN-ROUUACIJSA-N 2 1 383.500 1.432 20 0 GDADMP COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000631236119 1126101772 /nfs/dbraw/zinc/10/17/72/1126101772.db2.gz AQOVRGYEESLWID-OAQYLSRUSA-N 2 1 385.512 1.320 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000414263226 531436836 /nfs/dbraw/zinc/43/68/36/531436836.db2.gz DPHAZARBSOGYEM-LBPRGKRZSA-N 2 1 388.331 1.670 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1Br ZINC000415266722 531469139 /nfs/dbraw/zinc/46/91/39/531469139.db2.gz LUCCJRMWMNHYPF-LBPRGKRZSA-N 2 1 383.290 1.399 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)cc1Br ZINC000415400880 531483449 /nfs/dbraw/zinc/48/34/49/531483449.db2.gz WMVCNYXMYRGMRY-GFCCVEGCSA-N 2 1 397.317 1.565 20 0 GDADMP C[C@@H](C[NH3+])CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415780771 531528394 /nfs/dbraw/zinc/52/83/94/531528394.db2.gz BTVSSIDVHQSXSA-NSHDSACASA-N 2 1 385.310 1.312 20 0 GDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C[NH+](C)C ZINC000551044432 531532017 /nfs/dbraw/zinc/53/20/17/531532017.db2.gz NINTVSBSFBVJDQ-LBPRGKRZSA-N 2 1 399.333 1.763 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCCCC[NH3+])CC1 ZINC000415789864 531532071 /nfs/dbraw/zinc/53/20/71/531532071.db2.gz OPYQVSFTTMTNOJ-UHFFFAOYSA-N 2 1 385.310 1.456 20 0 GDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC12CCOCC2 ZINC000662570174 531688894 /nfs/dbraw/zinc/68/88/94/531688894.db2.gz HIRHFAAPQHQJEY-WFASDCNBSA-N 2 1 382.302 1.663 20 0 GDADMP C[NH2+][C@@H]1CCN(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000667663970 531783313 /nfs/dbraw/zinc/78/33/13/531783313.db2.gz NDSBZBUZTAFYDI-CYBMUJFWSA-N 2 1 397.321 1.422 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1Br ZINC000667265873 531773748 /nfs/dbraw/zinc/77/37/48/531773748.db2.gz DXHXTIPUTITMIK-AWEZNQCLSA-N 2 1 397.317 1.708 20 0 GDADMP COCC[N@@H+](C)C[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641221804 531788863 /nfs/dbraw/zinc/78/88/63/531788863.db2.gz IOFZJUCDUSGMGY-GOEBONIOSA-N 2 1 398.305 1.028 20 0 GDADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595948585 531895070 /nfs/dbraw/zinc/89/50/70/531895070.db2.gz SLBHKZPDQSICJR-HTQZYQBOSA-N 2 1 391.278 1.765 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(I)c[nH]1 ZINC000597943256 531960961 /nfs/dbraw/zinc/96/09/61/531960961.db2.gz WLCFSKGWBFUBQR-NSHDSACASA-N 2 1 392.285 1.621 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(I)c[nH]1 ZINC000597943256 531960971 /nfs/dbraw/zinc/96/09/71/531960971.db2.gz WLCFSKGWBFUBQR-NSHDSACASA-N 2 1 392.285 1.621 20 0 GDADMP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CCOCC[NH3+] ZINC000600735254 532053083 /nfs/dbraw/zinc/05/30/83/532053083.db2.gz LGOUJVAKQSEMIV-LLVKDONJSA-N 2 1 391.253 1.525 20 0 GDADMP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)CCOCC[NH3+] ZINC000600735254 532053087 /nfs/dbraw/zinc/05/30/87/532053087.db2.gz LGOUJVAKQSEMIV-LLVKDONJSA-N 2 1 391.253 1.525 20 0 GDADMP CCOCCS(=O)(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431902443 532275505 /nfs/dbraw/zinc/27/55/05/532275505.db2.gz LHABTVDWTBCXOF-UHFFFAOYSA-N 2 1 375.579 1.481 20 0 GDADMP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000736767065 598974761 /nfs/dbraw/zinc/97/47/61/598974761.db2.gz KMSXCFNEALIZBH-KRWDZBQOSA-N 2 1 398.515 1.177 20 0 GDADMP C[NH+]1CCN(C(=O)CC[N@H+](CCO)Cc2ccc(Br)s2)CC1 ZINC000549171333 650571823 /nfs/dbraw/zinc/57/18/23/650571823.db2.gz ACLPUWUHNGUIRQ-UHFFFAOYSA-N 2 1 390.347 1.469 20 0 GDADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCO)Cc2ccc(Br)s2)CC1 ZINC000549171333 650571826 /nfs/dbraw/zinc/57/18/26/650571826.db2.gz ACLPUWUHNGUIRQ-UHFFFAOYSA-N 2 1 390.347 1.469 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000567228161 650893924 /nfs/dbraw/zinc/89/39/24/650893924.db2.gz IYODCSCCUIIWDY-ZDUSSCGKSA-N 2 1 390.311 1.487 20 0 GDADMP CCCS(=O)(=O)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130650799 644740426 /nfs/dbraw/zinc/74/04/26/644740426.db2.gz NPLQNABITZPGMN-UHFFFAOYSA-N 2 1 375.579 1.227 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1Br ZINC000415538314 645897931 /nfs/dbraw/zinc/89/79/31/645897931.db2.gz JGNKPVIVVUSLLK-CQSZACIVSA-N 2 1 383.290 1.303 20 0 GDADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346459 645940938 /nfs/dbraw/zinc/94/09/38/645940938.db2.gz CWOGEKVGIBQRJC-QGZVFWFLSA-N 2 1 385.339 1.931 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000470005543 647719287 /nfs/dbraw/zinc/71/92/87/647719287.db2.gz YZLUJSDRCCLRDW-GFCCVEGCSA-N 2 1 384.274 1.465 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000470005543 647719293 /nfs/dbraw/zinc/71/92/93/647719293.db2.gz YZLUJSDRCCLRDW-GFCCVEGCSA-N 2 1 384.274 1.465 20 0 GDADMP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000571645315 651080295 /nfs/dbraw/zinc/08/02/95/651080295.db2.gz CQBOROXPFFXBTQ-AWEZNQCLSA-N 2 1 396.333 1.400 20 0 GDADMP NS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629562349 653172216 /nfs/dbraw/zinc/17/22/16/653172216.db2.gz BKQDANHEFBUTGT-SMDDNHRTSA-N 2 1 381.420 1.172 20 0 GDADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629562349 653172221 /nfs/dbraw/zinc/17/22/21/653172221.db2.gz BKQDANHEFBUTGT-SMDDNHRTSA-N 2 1 381.420 1.172 20 0 GDADMP O=C(CN1CC[NH2+]CC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000638292423 653537533 /nfs/dbraw/zinc/53/75/33/653537533.db2.gz FGDIYSUGWVYCMF-UHFFFAOYSA-N 2 1 385.339 1.979 20 0 GDADMP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000662297346 654292563 /nfs/dbraw/zinc/29/25/63/654292563.db2.gz KXIONLBIOMLNNH-UHFFFAOYSA-N 2 1 390.937 1.588 20 0 GDADMP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000662297346 654292568 /nfs/dbraw/zinc/29/25/68/654292568.db2.gz KXIONLBIOMLNNH-UHFFFAOYSA-N 2 1 390.937 1.588 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000663594750 654344633 /nfs/dbraw/zinc/34/46/33/654344633.db2.gz GRGYHZBWNAZZBI-MRXNPFEDSA-N 2 1 397.321 1.469 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)cc1Br ZINC000667515363 654453857 /nfs/dbraw/zinc/45/38/57/654453857.db2.gz RVMKWFKLNPYKPU-UHFFFAOYSA-N 2 1 397.317 1.789 20 0 GDADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817983378 655363349 /nfs/dbraw/zinc/36/33/49/655363349.db2.gz BAWRYYXBKNJRBS-CYBMUJFWSA-N 2 1 389.543 1.205 20 0 GDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819004293 655383025 /nfs/dbraw/zinc/38/30/25/655383025.db2.gz NCCSFYZCDJKYAO-CZUORRHYSA-N 2 1 384.318 1.660 20 0 GDADMP C[C@]([NH3+])(C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000827936120 655517876 /nfs/dbraw/zinc/51/78/76/655517876.db2.gz DWTGUXSRVPIVSG-YQQAZPJKSA-N 2 1 382.302 1.602 20 0 GDADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156051 656318938 /nfs/dbraw/zinc/31/89/38/656318938.db2.gz DFWVLFZEJNVRBB-AEFFLSMTSA-N 2 1 375.579 1.562 20 0 GDADMP Cc1nn(C)c(C[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)c1Br ZINC000873217384 656389855 /nfs/dbraw/zinc/38/98/55/656389855.db2.gz KUKLNOSRJCJKQI-UHFFFAOYSA-N 2 1 390.289 1.820 20 0 GDADMP CCOP(=O)(CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)OCC ZINC000876790064 656630741 /nfs/dbraw/zinc/63/07/41/656630741.db2.gz RGILPQFWWJHNQC-MRXNPFEDSA-N 2 1 375.450 1.881 20 0 GDADMP CCOP(=O)(CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OCC ZINC000876790064 656630747 /nfs/dbraw/zinc/63/07/47/656630747.db2.gz RGILPQFWWJHNQC-MRXNPFEDSA-N 2 1 375.450 1.881 20 0 GDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905105201 659424552 /nfs/dbraw/zinc/42/45/52/659424552.db2.gz JNIQLXSKMSLGKP-ZDUSSCGKSA-N 2 1 375.382 1.467 20 0 GDADMP C[NH+]1CCN(c2nccc(N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)n2)CC1 ZINC001164414879 718881501 /nfs/dbraw/zinc/88/15/01/718881501.db2.gz YXYHIMGIGPKKBL-CQSZACIVSA-N 2 1 384.450 1.882 20 0 GDADMP C[NH+]1CCC(Oc2ccnc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c2)CC1 ZINC001164423459 718918380 /nfs/dbraw/zinc/91/83/80/718918380.db2.gz GZCXWLXCBRLXIY-FQEVSTJZSA-N 2 1 376.501 1.140 20 0 GDADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4cncc(N5CC[NH2+]CC5)n4)[C@H]3C2)cc1 ZINC001164624337 719081481 /nfs/dbraw/zinc/08/14/81/719081481.db2.gz LHOFGMWYSCLLSU-UXHICEINSA-N 2 1 378.524 1.987 20 0 GDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001164805872 720070408 /nfs/dbraw/zinc/07/04/08/720070408.db2.gz AHPQAQXALGYYBB-YWZLYKJASA-N 2 1 391.947 1.960 20 0 GDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164810347 720083202 /nfs/dbraw/zinc/08/32/02/720083202.db2.gz KXDCWKDRAITICT-QRWLVFNGSA-N 2 1 391.947 1.960 20 0 GDADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C[NH3+])ncn1)CC2 ZINC001164714140 720108849 /nfs/dbraw/zinc/10/88/49/720108849.db2.gz AEHIAVZXTLLGBN-LJQANCHMSA-N 2 1 382.512 1.838 20 0 GDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc4c(n3)CC[NH2+]C4)CC[C@@H]21 ZINC001164835768 720518808 /nfs/dbraw/zinc/51/88/08/720518808.db2.gz LGFSTZALPNBCJY-KPFFTGBYSA-N 2 1 381.528 1.697 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)n4)C[C@H]3C2)cn1 ZINC001164764052 721161155 /nfs/dbraw/zinc/16/11/55/721161155.db2.gz GQUMFGFICVVMBQ-VQTJNVASSA-N 2 1 395.555 1.525 20 0 GDADMP Cc1cc2[nH]ccc2c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)[nH+]1 ZINC001164874445 721275093 /nfs/dbraw/zinc/27/50/93/721275093.db2.gz RUHSPPFKDBMZJI-UHFFFAOYSA-N 2 1 385.512 1.878 20 0 GDADMP c1cc(C[N@H+]2CCOCC3(CCN(c4cc5c(nn4)CC[NH2+]C5)CC3)C2)ccn1 ZINC001164963310 722057891 /nfs/dbraw/zinc/05/78/91/722057891.db2.gz WMNOABYTQVFNGJ-UHFFFAOYSA-N 2 1 394.523 1.636 20 0 GDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[N@H+]1C ZINC001571294988 946150312 /nfs/dbraw/zinc/15/03/12/946150312.db2.gz MWSOUDWNLUKRHT-UMVBOHGHSA-N 2 1 389.529 1.301 20 0 GDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571294988 946150323 /nfs/dbraw/zinc/15/03/23/946150323.db2.gz MWSOUDWNLUKRHT-UMVBOHGHSA-N 2 1 389.529 1.301 20 0 GDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571294988 946150334 /nfs/dbraw/zinc/15/03/34/946150334.db2.gz MWSOUDWNLUKRHT-UMVBOHGHSA-N 2 1 389.529 1.301 20 0 GDADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574432967 948946796 /nfs/dbraw/zinc/94/67/96/948946796.db2.gz QVVSNLRLZROHCH-CQSZACIVSA-N 2 1 382.472 1.481 20 0 GDADMP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574715736 949666246 /nfs/dbraw/zinc/66/62/46/949666246.db2.gz FZMQJQWXUNHTKD-RDJZCZTQSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576192825 950265416 /nfs/dbraw/zinc/26/54/16/950265416.db2.gz PSNXRMXQPKNHFH-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575077399 951668305 /nfs/dbraw/zinc/66/83/05/951668305.db2.gz CJEVLRJCSBNNQC-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100213 951844224 /nfs/dbraw/zinc/84/42/24/951844224.db2.gz SBQFDTZGRRHXIZ-QWHCGFSZSA-N 2 1 377.518 1.112 20 0 GDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104828 951887609 /nfs/dbraw/zinc/88/76/09/951887609.db2.gz DZMXVXIOUXOYRG-MAUKXSAKSA-N 2 1 385.516 1.581 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113717 951942765 /nfs/dbraw/zinc/94/27/65/951942765.db2.gz DNEXSPSLAOSSFH-JYJNAYRXSA-N 2 1 385.516 1.439 20 0 GDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571171732 952796664 /nfs/dbraw/zinc/79/66/64/952796664.db2.gz FKGGGOWQLIIWPS-UHFFFAOYSA-N 2 1 380.456 1.152 20 0 GDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001571191657 952946526 /nfs/dbraw/zinc/94/65/26/952946526.db2.gz PYWRYVMUNFWUCO-SOLBZPMBSA-N 2 1 381.484 1.246 20 0 GDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001571191657 952946535 /nfs/dbraw/zinc/94/65/35/952946535.db2.gz PYWRYVMUNFWUCO-SOLBZPMBSA-N 2 1 381.484 1.246 20 0 GDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001571191657 952946546 /nfs/dbraw/zinc/94/65/46/952946546.db2.gz PYWRYVMUNFWUCO-SOLBZPMBSA-N 2 1 381.484 1.246 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571235315 953211141 /nfs/dbraw/zinc/21/11/41/953211141.db2.gz ZVVZVNUDCKWJSK-WMZOPIPTSA-N 2 1 383.500 1.432 20 0 GDADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571235315 953211143 /nfs/dbraw/zinc/21/11/43/953211143.db2.gz ZVVZVNUDCKWJSK-WMZOPIPTSA-N 2 1 383.500 1.432 20 0 GDADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571235315 953211145 /nfs/dbraw/zinc/21/11/45/953211145.db2.gz ZVVZVNUDCKWJSK-WMZOPIPTSA-N 2 1 383.500 1.432 20 0 GDADMP O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178955973 530732204 /nfs/dbraw/zinc/73/22/04/530732204.db2.gz OTLZMOMMOKKISB-UHFFFAOYSA-N 2 1 375.897 1.785 20 0 GDADMP COc1cc(Br)c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000261616186 531094159 /nfs/dbraw/zinc/09/41/59/531094159.db2.gz BSEKRVNVGLJBSU-CQSZACIVSA-N 2 1 384.318 1.946 20 0 GDADMP COc1cc(Br)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000261616186 531094163 /nfs/dbraw/zinc/09/41/63/531094163.db2.gz BSEKRVNVGLJBSU-CQSZACIVSA-N 2 1 384.318 1.946 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc(SC)s1 ZINC000527101947 531314353 /nfs/dbraw/zinc/31/43/53/531314353.db2.gz XHUNLGSYGAPURG-CYBMUJFWSA-N 2 1 386.591 1.818 20 0 GDADMP COC(=O)[C@@H]1CSCC[NH+](CCC[N@H+]2CCSC[C@@H](C(=O)OC)C2)C1 ZINC000412088308 531358476 /nfs/dbraw/zinc/35/84/76/531358476.db2.gz WMNDJDKVATVYFS-GJZGRUSLSA-N 2 1 390.571 1.053 20 0 GDADMP COC(=O)[C@@H]1CSCC[NH+](CCC[N@@H+]2CCSC[C@@H](C(=O)OC)C2)C1 ZINC000412088308 531358480 /nfs/dbraw/zinc/35/84/80/531358480.db2.gz WMNDJDKVATVYFS-GJZGRUSLSA-N 2 1 390.571 1.053 20 0 GDADMP Cn1ncc(Br)c1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000278523092 531366064 /nfs/dbraw/zinc/36/60/64/531366064.db2.gz QOHZTQNOUQEJDP-UHFFFAOYSA-N 2 1 393.333 1.880 20 0 GDADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@@H]3CNS(C)(=O)=O)sc2C1 ZINC000500543768 531661711 /nfs/dbraw/zinc/66/17/11/531661711.db2.gz FMYGEBJNMBFCIO-KGLIPLIRSA-N 2 1 386.587 1.717 20 0 GDADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@@H]3CNS(C)(=O)=O)sc2C1 ZINC000500543768 531661722 /nfs/dbraw/zinc/66/17/22/531661722.db2.gz FMYGEBJNMBFCIO-KGLIPLIRSA-N 2 1 386.587 1.717 20 0 GDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638621665 531662462 /nfs/dbraw/zinc/66/24/62/531662462.db2.gz XDOPRLZWLYRLEV-HNNXBMFYSA-N 2 1 382.306 1.818 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000638977771 531680157 /nfs/dbraw/zinc/68/01/57/531680157.db2.gz WKZAOHYIMWNNFV-OAHLLOKOSA-N 2 1 381.523 1.252 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000638977771 531680169 /nfs/dbraw/zinc/68/01/69/531680169.db2.gz WKZAOHYIMWNNFV-OAHLLOKOSA-N 2 1 381.523 1.252 20 0 GDADMP CN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000418800221 531841047 /nfs/dbraw/zinc/84/10/47/531841047.db2.gz IPRKBABEFMKCAX-UHFFFAOYSA-N 2 1 387.311 1.491 20 0 GDADMP C[NH2+]CCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000418801654 531842893 /nfs/dbraw/zinc/84/28/93/531842893.db2.gz JQMZJDXBUBYZCB-UHFFFAOYSA-N 2 1 387.311 1.410 20 0 GDADMP C[C@@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)[C@H](C)C[NH2+]1 ZINC000595948353 531895607 /nfs/dbraw/zinc/89/56/07/531895607.db2.gz QVZMXEKBCRHHJJ-HTQZYQBOSA-N 2 1 391.278 1.778 20 0 GDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456581525 531922663 /nfs/dbraw/zinc/92/26/63/531922663.db2.gz LAQNNVMQNIEXKH-JSGCOSHPSA-N 2 1 396.333 1.732 20 0 GDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456581525 531922669 /nfs/dbraw/zinc/92/26/69/531922669.db2.gz LAQNNVMQNIEXKH-JSGCOSHPSA-N 2 1 396.333 1.732 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N2CCC([NH3+])CC2)CC1 ZINC000569792067 531928664 /nfs/dbraw/zinc/92/86/64/531928664.db2.gz VSVLIWATDJAAIW-UHFFFAOYSA-N 2 1 397.321 1.551 20 0 GDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000572992650 531973851 /nfs/dbraw/zinc/97/38/51/531973851.db2.gz XEMQJZWJWUDWBF-NSHDSACASA-N 2 1 395.305 1.374 20 0 GDADMP NS(=O)(=O)c1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)ccc1Cl ZINC000631068086 531996579 /nfs/dbraw/zinc/99/65/79/531996579.db2.gz MHKVBIQGQHQEBC-AWEZNQCLSA-N 2 1 375.922 1.314 20 0 GDADMP C[N@@H+](CCCOc1cccc(I)c1)CCOCC[NH3+] ZINC000600737586 532053236 /nfs/dbraw/zinc/05/32/36/532053236.db2.gz WOWCBABMSHDNJU-UHFFFAOYSA-N 2 1 378.254 1.967 20 0 GDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000824708122 608686320 /nfs/dbraw/zinc/68/63/20/608686320.db2.gz XIZMMZKWTJWKLV-AWEZNQCLSA-N 2 1 384.488 1.039 20 0 GDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])s1 ZINC000422942334 646101806 /nfs/dbraw/zinc/10/18/06/646101806.db2.gz WNNNYTIGERPJRT-VHDGCEQUSA-N 2 1 375.560 1.621 20 0 GDADMP C[NH+](C)CCNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455906253 647392095 /nfs/dbraw/zinc/39/20/95/647392095.db2.gz ROLGUORAVZUVAF-UHFFFAOYSA-N 2 1 385.310 1.279 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000571180721 651068535 /nfs/dbraw/zinc/06/85/35/651068535.db2.gz QYYJQMOYYWMAEX-GFCCVEGCSA-N 2 1 383.294 1.161 20 0 GDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cn2cc(Br)cn2)CC1 ZINC000619180094 652985733 /nfs/dbraw/zinc/98/57/33/652985733.db2.gz FBIIVLNUBITLNX-UHFFFAOYSA-N 2 1 379.262 1.431 20 0 GDADMP [NH3+]CCCOCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000629535949 653169947 /nfs/dbraw/zinc/16/99/47/653169947.db2.gz DUSLFJFMEUVTSS-CYBMUJFWSA-N 2 1 377.304 1.623 20 0 GDADMP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000629535952 653170054 /nfs/dbraw/zinc/17/00/54/653170054.db2.gz GXKMMOIMYDOQJG-NVXWUHKLSA-N 2 1 393.329 1.682 20 0 GDADMP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000629535963 653170105 /nfs/dbraw/zinc/17/01/05/653170105.db2.gz GXKMMOIMYDOQJG-WBVHZDCISA-N 2 1 393.329 1.682 20 0 GDADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000629569657 653173034 /nfs/dbraw/zinc/17/30/34/653173034.db2.gz QRYSFAHTJMQRGE-CQSZACIVSA-N 2 1 386.334 1.964 20 0 GDADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000631922604 653271444 /nfs/dbraw/zinc/27/14/44/653271444.db2.gz AHHNFUDGWNXPGU-PBHICJAKSA-N 2 1 386.587 1.649 20 0 GDADMP CC(C)[NH+](CCN(C(=S)NCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000747760340 654790895 /nfs/dbraw/zinc/79/08/95/654790895.db2.gz PYXLVNVDTZTJHD-INIZCTEOSA-N 2 1 392.635 1.030 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1Br ZINC000868303532 656149798 /nfs/dbraw/zinc/14/97/98/656149798.db2.gz DVCGPFBCEYRZHS-KLPPZKSPSA-N 2 1 383.290 1.303 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(Br)cn1 ZINC000875713594 656555384 /nfs/dbraw/zinc/55/53/84/656555384.db2.gz OWYLAADZVGULIW-ZDUSSCGKSA-N 2 1 386.338 1.915 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(Br)cn1 ZINC000875713594 656555389 /nfs/dbraw/zinc/55/53/89/656555389.db2.gz OWYLAADZVGULIW-ZDUSSCGKSA-N 2 1 386.338 1.915 20 0 GDADMP C[NH+](C)C[C@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000923661532 656580737 /nfs/dbraw/zinc/58/07/37/656580737.db2.gz HEBQDUGRRRQDQV-CABCVRRESA-N 2 1 379.448 1.980 20 0 GDADMP COC(=O)c1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1Br ZINC000877016059 656646378 /nfs/dbraw/zinc/64/63/78/656646378.db2.gz BNVCNVLVMCLECK-UHFFFAOYSA-N 2 1 398.301 1.489 20 0 GDADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000927814530 656841778 /nfs/dbraw/zinc/84/17/78/656841778.db2.gz FRBCHBYLQOICFX-YPMHNXCESA-N 2 1 397.317 1.421 20 0 GDADMP COC(=O)c1cnc(Cl)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685852 719606307 /nfs/dbraw/zinc/60/63/07/719606307.db2.gz WSEOZDDVLKZGJO-UHFFFAOYSA-N 2 1 378.864 1.588 20 0 GDADMP COC(=O)c1cnc(Cl)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685852 719606313 /nfs/dbraw/zinc/60/63/13/719606313.db2.gz WSEOZDDVLKZGJO-UHFFFAOYSA-N 2 1 378.864 1.588 20 0 GDADMP CON(C)C(=O)c1cc(C)cnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680226 719634714 /nfs/dbraw/zinc/63/47/14/719634714.db2.gz SOHFGRLBHABFPX-UHFFFAOYSA-N 2 1 386.500 1.695 20 0 GDADMP CON(C)C(=O)c1cc(C)cnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680226 719634725 /nfs/dbraw/zinc/63/47/25/719634725.db2.gz SOHFGRLBHABFPX-UHFFFAOYSA-N 2 1 386.500 1.695 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(Cn3ccccc3=O)cn2)c2c1CC[NH2+]C2 ZINC001164680139 719640180 /nfs/dbraw/zinc/64/01/80/719640180.db2.gz PQHUZTOIBOVTKM-UHFFFAOYSA-N 2 1 392.507 1.963 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(Cn3ccccc3=O)cn2)c2c1CC[NH2+]C2 ZINC001164680139 719640190 /nfs/dbraw/zinc/64/01/90/719640190.db2.gz PQHUZTOIBOVTKM-UHFFFAOYSA-N 2 1 392.507 1.963 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(OC3CC[NH2+]CC3)nn2)c2c1CC[NH2+]C2 ZINC001164679556 719641958 /nfs/dbraw/zinc/64/19/58/719641958.db2.gz GJGDAAQHMPQOLT-UHFFFAOYSA-N 3 1 385.516 1.279 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(OC3CC[NH2+]CC3)nn2)c2c1CC[NH2+]C2 ZINC001164679556 719641962 /nfs/dbraw/zinc/64/19/62/719641962.db2.gz GJGDAAQHMPQOLT-UHFFFAOYSA-N 3 1 385.516 1.279 20 0 GDADMP CCOC(=O)c1c[nH]c2cc(N3CCC4(CCC[N@H+]4CC(=O)NC)CC3)[nH+]cc21 ZINC001164689360 719736440 /nfs/dbraw/zinc/73/64/40/719736440.db2.gz CONCTCYAKHFMGH-UHFFFAOYSA-N 2 1 399.495 1.920 20 0 GDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001164807086 720122675 /nfs/dbraw/zinc/12/26/75/720122675.db2.gz BIYNDJRRVJLDHL-GHTZIAJQSA-N 2 1 386.544 1.071 20 0 GDADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)CC[C@@H]21 ZINC001164834989 720550120 /nfs/dbraw/zinc/55/01/20/720550120.db2.gz GKXNDJOEMCZTIA-ULQDDVLXSA-N 2 1 396.495 1.987 20 0 GDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)CC[C@@H]21 ZINC001164834989 720550125 /nfs/dbraw/zinc/55/01/25/720550125.db2.gz GKXNDJOEMCZTIA-ULQDDVLXSA-N 2 1 396.495 1.987 20 0 GDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c(n4)CC[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746186 720815116 /nfs/dbraw/zinc/81/51/16/720815116.db2.gz MBXDHNIDRAMYHI-SVFBPWRDSA-N 2 1 393.539 1.698 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)CC[C@H]2C1 ZINC001164854095 720864083 /nfs/dbraw/zinc/86/40/83/720864083.db2.gz JDDWOHVFCZUMNK-OALUTQOASA-N 2 1 389.544 1.007 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)CC[C@@H]2C1 ZINC001164854094 720864366 /nfs/dbraw/zinc/86/43/66/720864366.db2.gz JDDWOHVFCZUMNK-MOPGFXCFSA-N 2 1 389.544 1.007 20 0 GDADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164894073 721388481 /nfs/dbraw/zinc/38/84/81/721388481.db2.gz XEALEZJJZGANTF-UGKGYDQZSA-N 2 1 385.556 1.493 20 0 GDADMP C(C[NH+]1CCCC1)[C@@H]1CCCCN1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001165049052 721974647 /nfs/dbraw/zinc/97/46/47/721974647.db2.gz LWIPBDQSTCHECZ-KRWDZBQOSA-N 2 1 386.544 1.761 20 0 GDADMP Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc(N(C)C)[nH+]1 ZINC001164982745 722103092 /nfs/dbraw/zinc/10/30/92/722103092.db2.gz OHSDZIDQASJDQX-OALUTQOASA-N 2 1 382.512 1.973 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164982745 722103093 /nfs/dbraw/zinc/10/30/93/722103093.db2.gz OHSDZIDQASJDQX-OALUTQOASA-N 2 1 382.512 1.973 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164982745 722103094 /nfs/dbraw/zinc/10/30/94/722103094.db2.gz OHSDZIDQASJDQX-OALUTQOASA-N 2 1 382.512 1.973 20 0 GDADMP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737837316 945135348 /nfs/dbraw/zinc/13/53/48/945135348.db2.gz DYRJKUPTQISXPY-ZDUSSCGKSA-N 2 1 375.502 1.675 20 0 GDADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737837316 945135353 /nfs/dbraw/zinc/13/53/53/945135353.db2.gz DYRJKUPTQISXPY-ZDUSSCGKSA-N 2 1 375.502 1.675 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574926115 948988531 /nfs/dbraw/zinc/98/85/31/948988531.db2.gz ISYFENHCBDEXJB-LBPRGKRZSA-N 2 1 379.534 1.500 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574705306 949419760 /nfs/dbraw/zinc/41/97/60/949419760.db2.gz HJFGIEFIPKABLH-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574956680 949588714 /nfs/dbraw/zinc/58/87/14/949588714.db2.gz LTBYBAUHADLMBI-YRGRVCCFSA-N 2 1 377.518 1.205 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574956680 949588733 /nfs/dbraw/zinc/58/87/33/949588733.db2.gz LTBYBAUHADLMBI-YRGRVCCFSA-N 2 1 377.518 1.205 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574956680 949588748 /nfs/dbraw/zinc/58/87/48/949588748.db2.gz LTBYBAUHADLMBI-YRGRVCCFSA-N 2 1 377.518 1.205 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574956680 949588761 /nfs/dbraw/zinc/58/87/61/949588761.db2.gz LTBYBAUHADLMBI-YRGRVCCFSA-N 2 1 377.518 1.205 20 0 GDADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575873988 949594272 /nfs/dbraw/zinc/59/42/72/949594272.db2.gz DEXBOUMWFDIGJF-GXTWGEPZSA-N 2 1 377.518 1.349 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574733317 950103953 /nfs/dbraw/zinc/10/39/53/950103953.db2.gz YQQDSESPGIMEKC-UMVBOHGHSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192680 950260662 /nfs/dbraw/zinc/26/06/62/950260662.db2.gz OSROJAQQLLCLQA-MAUKXSAKSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192680 950260679 /nfs/dbraw/zinc/26/06/79/950260679.db2.gz OSROJAQQLLCLQA-MAUKXSAKSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192680 950260696 /nfs/dbraw/zinc/26/06/96/950260696.db2.gz OSROJAQQLLCLQA-MAUKXSAKSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196412 950360079 /nfs/dbraw/zinc/36/00/79/950360079.db2.gz CREGGCWYRNUNEJ-INIZCTEOSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196412 950360102 /nfs/dbraw/zinc/36/01/02/950360102.db2.gz CREGGCWYRNUNEJ-INIZCTEOSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196412 950360125 /nfs/dbraw/zinc/36/01/25/950360125.db2.gz CREGGCWYRNUNEJ-INIZCTEOSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576202897 950441336 /nfs/dbraw/zinc/44/13/36/950441336.db2.gz FDLDIRHWUOOUFX-DOMZBBRYSA-N 2 1 389.529 1.254 20 0 GDADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576205041 950493812 /nfs/dbraw/zinc/49/38/12/950493812.db2.gz FWBFJPGTGMYQEA-KBPBESRZSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576206275 950565875 /nfs/dbraw/zinc/56/58/75/950565875.db2.gz VWOOFHUKBSJFGJ-ZIAGYGMSSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576206275 950565890 /nfs/dbraw/zinc/56/58/90/950565890.db2.gz VWOOFHUKBSJFGJ-ZIAGYGMSSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576206275 950565910 /nfs/dbraw/zinc/56/59/10/950565910.db2.gz VWOOFHUKBSJFGJ-ZIAGYGMSSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576207393 950593310 /nfs/dbraw/zinc/59/33/10/950593310.db2.gz GWMAQZXTMZRWLP-OAHLLOKOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576207393 950593328 /nfs/dbraw/zinc/59/33/28/950593328.db2.gz GWMAQZXTMZRWLP-OAHLLOKOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576207393 950593337 /nfs/dbraw/zinc/59/33/37/950593337.db2.gz GWMAQZXTMZRWLP-OAHLLOKOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576208685 950617182 /nfs/dbraw/zinc/61/71/82/950617182.db2.gz SMZDRJREJBBSJL-INMHGKMJSA-N 2 1 383.500 1.193 20 0 GDADMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001574774863 951008635 /nfs/dbraw/zinc/00/86/35/951008635.db2.gz FLOHQYBFYPAIDN-DYVFJYSZSA-N 2 1 391.495 1.529 20 0 GDADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077595 951673310 /nfs/dbraw/zinc/67/33/10/951673310.db2.gz GZSVIWYZLXFTBS-ZDUSSCGKSA-N 2 1 377.468 1.188 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108345 951924679 /nfs/dbraw/zinc/92/46/79/951924679.db2.gz LNOFVSLGTMMPNT-VKJFTORMSA-N 2 1 385.516 1.439 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234670 953204569 /nfs/dbraw/zinc/20/45/69/953204569.db2.gz FQUAIDPTJWWGAU-WMZOPIPTSA-N 2 1 383.500 1.147 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234987 953207908 /nfs/dbraw/zinc/20/79/08/953207908.db2.gz OTAQBHWZKJMGAB-AEFFLSMTSA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234987 953207911 /nfs/dbraw/zinc/20/79/11/953207911.db2.gz OTAQBHWZKJMGAB-AEFFLSMTSA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234987 953207915 /nfs/dbraw/zinc/20/79/15/953207915.db2.gz OTAQBHWZKJMGAB-AEFFLSMTSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571235102 953208845 /nfs/dbraw/zinc/20/88/45/953208845.db2.gz SZARZKOPXNCDQR-AEFFLSMTSA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571235102 953208847 /nfs/dbraw/zinc/20/88/47/953208847.db2.gz SZARZKOPXNCDQR-AEFFLSMTSA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571235102 953208849 /nfs/dbraw/zinc/20/88/49/953208849.db2.gz SZARZKOPXNCDQR-AEFFLSMTSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235262 953210281 /nfs/dbraw/zinc/21/02/81/953210281.db2.gz YNPSZERRFWBSFG-SJORKVTESA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235262 953210283 /nfs/dbraw/zinc/21/02/83/953210283.db2.gz YNPSZERRFWBSFG-SJORKVTESA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235262 953210284 /nfs/dbraw/zinc/21/02/84/953210284.db2.gz YNPSZERRFWBSFG-SJORKVTESA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCN2CCCS2(=O)=O)CC1 ZINC000180124613 530758354 /nfs/dbraw/zinc/75/83/54/530758354.db2.gz PAPVKBNDOYXOBC-UHFFFAOYSA-N 2 1 386.949 1.217 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(I)cc2)C1 ZINC000115902504 530902547 /nfs/dbraw/zinc/90/25/47/530902547.db2.gz PROZYSZLQHULIS-ZDUSSCGKSA-N 2 1 387.265 1.578 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000115902504 530902553 /nfs/dbraw/zinc/90/25/53/530902553.db2.gz PROZYSZLQHULIS-ZDUSSCGKSA-N 2 1 387.265 1.578 20 0 GDADMP O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129308517 531049682 /nfs/dbraw/zinc/04/96/82/531049682.db2.gz RBKOGQZAKVOYBF-NVXWUHKLSA-N 2 1 399.329 1.843 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000261804053 531099357 /nfs/dbraw/zinc/09/93/57/531099357.db2.gz FXCOEDGLPBOGSO-CYBMUJFWSA-N 2 1 382.302 1.671 20 0 GDADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000411509939 531326787 /nfs/dbraw/zinc/32/67/87/531326787.db2.gz VSJUYYRKUKAGQT-INIZCTEOSA-N 2 1 384.318 1.673 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1Br ZINC000415357572 531478437 /nfs/dbraw/zinc/47/84/37/531478437.db2.gz SGUZZHJZBJUVMK-LLVKDONJSA-N 2 1 383.290 1.256 20 0 GDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415544464 531492672 /nfs/dbraw/zinc/49/26/72/531492672.db2.gz UGTIFYZGURVNLX-NEPJUHHUSA-N 2 1 397.317 1.645 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000638977768 531679849 /nfs/dbraw/zinc/67/98/49/531679849.db2.gz WKZAOHYIMWNNFV-HNNXBMFYSA-N 2 1 381.523 1.252 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000638977768 531679857 /nfs/dbraw/zinc/67/98/57/531679857.db2.gz WKZAOHYIMWNNFV-HNNXBMFYSA-N 2 1 381.523 1.252 20 0 GDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ncc(Br)cc3F)nn2)CC1 ZINC000641105251 531777186 /nfs/dbraw/zinc/77/71/86/531777186.db2.gz YZDCTYJGYNYWGR-UHFFFAOYSA-N 2 1 383.269 1.589 20 0 GDADMP O=C(NCC1=CC[NH2+]CC1)c1sc2c(c1I)C[NH2+]C2 ZINC000595948920 531894698 /nfs/dbraw/zinc/89/46/98/531894698.db2.gz CPYIUKUKBCIOGA-UHFFFAOYSA-N 2 1 389.262 1.605 20 0 GDADMP O=c1ccc(Br)cn1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771595 531975534 /nfs/dbraw/zinc/97/55/34/531975534.db2.gz NKUKKYZEIVEJMX-INIZCTEOSA-N 2 1 384.318 1.844 20 0 GDADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccnc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000826023145 607512528 /nfs/dbraw/zinc/51/25/28/607512528.db2.gz XZESJNWSCDPMPA-UHFFFAOYSA-N 2 1 398.559 1.890 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821266471 606544031 /nfs/dbraw/zinc/54/40/31/606544031.db2.gz DOLLYWQKJHBKAP-SFHVURJKSA-N 2 1 385.516 1.284 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000822505599 607172247 /nfs/dbraw/zinc/17/22/47/607172247.db2.gz OEAYICZHDGJRMW-ZWKOTPCHSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000822505599 607172248 /nfs/dbraw/zinc/17/22/48/607172248.db2.gz OEAYICZHDGJRMW-ZWKOTPCHSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000822505599 607172249 /nfs/dbraw/zinc/17/22/49/607172249.db2.gz OEAYICZHDGJRMW-ZWKOTPCHSA-N 2 1 393.499 1.807 20 0 GDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)[C@@H](C)C1 ZINC000552333785 650623587 /nfs/dbraw/zinc/62/35/87/650623587.db2.gz OXWWJCCVOGLYCL-BZSNNMDCSA-N 2 1 375.579 1.527 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000566117664 650828482 /nfs/dbraw/zinc/82/84/82/650828482.db2.gz TXCGAWVYFHFLHL-CQSZACIVSA-N 2 1 390.311 1.487 20 0 GDADMP C[C@@H]1C[NH+](CCCCCC[N@H+]2CC[S@](=O)C[C@H](C)C2)CC[S@](=O)C1 ZINC000369730942 645656492 /nfs/dbraw/zinc/65/64/92/645656492.db2.gz HBEKNYNLBQTHIX-LFVIRAHLSA-N 2 1 376.632 1.948 20 0 GDADMP COC[C@@H](C)S(=O)(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370265248 645677727 /nfs/dbraw/zinc/67/77/27/645677727.db2.gz NTZWXHQVGOLCHW-MRXNPFEDSA-N 2 1 375.579 1.479 20 0 GDADMP C[NH+]1CCN([C@H](CNC(=O)c2csc(CC[NH3+])n2)c2cccs2)CC1 ZINC000570283273 651033770 /nfs/dbraw/zinc/03/37/70/651033770.db2.gz PGXAHWBKIFPQCY-CQSZACIVSA-N 2 1 379.555 1.424 20 0 GDADMP O[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)CN1CCCCC1 ZINC000570569829 651044854 /nfs/dbraw/zinc/04/48/54/651044854.db2.gz DZJLRAGEYAXHGJ-CVEARBPZSA-N 2 1 387.318 1.625 20 0 GDADMP O[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000570569829 651044857 /nfs/dbraw/zinc/04/48/57/651044857.db2.gz DZJLRAGEYAXHGJ-CVEARBPZSA-N 2 1 387.318 1.625 20 0 GDADMP O=C(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccccc1Br ZINC000420350779 645940797 /nfs/dbraw/zinc/94/07/97/645940797.db2.gz UUTOAGUQTDPEDG-CQSZACIVSA-N 2 1 381.318 1.757 20 0 GDADMP Cc1ccc(C[C@H](CO)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1Br ZINC000572039566 651088757 /nfs/dbraw/zinc/08/87/57/651088757.db2.gz QQUGPRKPYDQROX-DOTOQJQBSA-N 2 1 385.346 1.953 20 0 GDADMP Cc1ccc(C[C@H](CO)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1Br ZINC000572039566 651088760 /nfs/dbraw/zinc/08/87/60/651088760.db2.gz QQUGPRKPYDQROX-DOTOQJQBSA-N 2 1 385.346 1.953 20 0 GDADMP CN1CCN(C(=O)CC[N@@H+](CCO)Cc2cccc(Br)c2)CC1 ZINC000577630317 651743867 /nfs/dbraw/zinc/74/38/67/651743867.db2.gz UQDSAFCDNBNQAY-UHFFFAOYSA-N 2 1 384.318 1.408 20 0 GDADMP C[NH+]1CCN(C(=O)CC[N@H+](CCO)Cc2cccc(Br)c2)CC1 ZINC000577630317 651743875 /nfs/dbraw/zinc/74/38/75/651743875.db2.gz UQDSAFCDNBNQAY-UHFFFAOYSA-N 2 1 384.318 1.408 20 0 GDADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCO)Cc2cccc(Br)c2)CC1 ZINC000577630317 651743879 /nfs/dbraw/zinc/74/38/79/651743879.db2.gz UQDSAFCDNBNQAY-UHFFFAOYSA-N 2 1 384.318 1.408 20 0 GDADMP [NH3+]C[C@H]1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595918535 652426446 /nfs/dbraw/zinc/42/64/46/652426446.db2.gz FJNPSDXXGGAETN-SSDOTTSWSA-N 2 1 377.251 1.377 20 0 GDADMP C[NH2+]C[C@H]1CCCN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595924852 652427104 /nfs/dbraw/zinc/42/71/04/652427104.db2.gz RFWGBXFTGSHJRH-MRVPVSSYSA-N 2 1 391.278 1.780 20 0 GDADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595952099 652429491 /nfs/dbraw/zinc/42/94/91/652429491.db2.gz WVAGFLOYJAYEML-JGVFFNPUSA-N 2 1 391.278 1.778 20 0 GDADMP C[S@](=O)C1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH2+]CC1 ZINC000602469577 652638298 /nfs/dbraw/zinc/63/82/98/652638298.db2.gz URFHKICSWMDDEI-BZQUYTCOSA-N 2 1 383.583 1.577 20 0 GDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000602545813 652640330 /nfs/dbraw/zinc/64/03/30/652640330.db2.gz WTTANYHJHZHLMT-DTWKUNHWSA-N 2 1 391.278 1.826 20 0 GDADMP C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C[NH2+]1 ZINC000626891889 653063542 /nfs/dbraw/zinc/06/35/42/653063542.db2.gz CPHQGHHFDNCGRF-RISCZKNCSA-N 2 1 397.317 1.706 20 0 GDADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCOCC1 ZINC000629654602 653180709 /nfs/dbraw/zinc/18/07/09/653180709.db2.gz NEDSEZKOTCQLDJ-UHFFFAOYSA-N 2 1 384.318 1.883 20 0 GDADMP C[NH+](C)C[C@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637470655 653529343 /nfs/dbraw/zinc/52/93/43/653529343.db2.gz BDGAWPBJWOZWIV-BBRMVZONSA-N 2 1 389.327 1.962 20 0 GDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000647492818 653627644 /nfs/dbraw/zinc/62/76/44/653627644.db2.gz BKXDXZZOELCRKL-UHFFFAOYSA-N 2 1 384.318 1.947 20 0 GDADMP [NH3+]C[C@H](NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(F)(F)F ZINC000655929971 653995000 /nfs/dbraw/zinc/99/50/00/653995000.db2.gz YSNIPYWDUOMMIZ-KBPBESRZSA-N 2 1 376.448 1.793 20 0 GDADMP [NH3+]C[C@H](NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(F)(F)F ZINC000655929971 653995003 /nfs/dbraw/zinc/99/50/03/653995003.db2.gz YSNIPYWDUOMMIZ-KBPBESRZSA-N 2 1 376.448 1.793 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000866710308 655955895 /nfs/dbraw/zinc/95/58/95/655955895.db2.gz XWRZVSJOWJMABB-BMFZPTHFSA-N 2 1 396.285 1.695 20 0 GDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2)C1 ZINC000870888819 656252922 /nfs/dbraw/zinc/25/29/22/656252922.db2.gz QPQOWSYOYJHDTK-DLBZAZTESA-N 2 1 395.345 1.687 20 0 GDADMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(Br)nn3C)C2)[C@@H]1C(C)C ZINC000922392992 656474148 /nfs/dbraw/zinc/47/41/48/656474148.db2.gz ISJBVLVVAPUHEO-UNIGVISCSA-N 2 1 386.338 1.537 20 0 GDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(Br)nn3C)C2)[C@@H]1C(C)C ZINC000922392992 656474153 /nfs/dbraw/zinc/47/41/53/656474153.db2.gz ISJBVLVVAPUHEO-UNIGVISCSA-N 2 1 386.338 1.537 20 0 GDADMP CC[N@@H+](C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@@H]1CCC[NH2+]CC1 ZINC000923334056 656546105 /nfs/dbraw/zinc/54/61/05/656546105.db2.gz AJZQUNBWNZOMRD-CVEARBPZSA-N 2 1 375.579 1.452 20 0 GDADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000927809816 656840614 /nfs/dbraw/zinc/84/06/14/656840614.db2.gz OOXAIDRDGYBROA-QMTHXVAHSA-N 2 1 383.290 1.173 20 0 GDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(=O)(=O)c1ccns1 ZINC000885047120 657413514 /nfs/dbraw/zinc/41/35/14/657413514.db2.gz NWWDYAWGCSAMCN-UHFFFAOYSA-N 2 1 386.587 1.960 20 0 GDADMP [NH3+]C1CC[NH+](CCc2cn(-c3ccccc3I)nn2)CC1 ZINC000899745835 659058286 /nfs/dbraw/zinc/05/82/86/659058286.db2.gz QACOVZCCFHTQSA-UHFFFAOYSA-N 2 1 397.264 1.838 20 0 GDADMP Brc1cnn(C2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903908288 659389193 /nfs/dbraw/zinc/38/91/93/659389193.db2.gz GDDXORFIGOBLTD-OAHLLOKOSA-N 2 1 394.321 1.999 20 0 GDADMP C[NH+](C)CCNC(=S)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000139768259 677676518 /nfs/dbraw/zinc/67/65/18/677676518.db2.gz RIAMQKYXAGMAPJ-UHFFFAOYSA-N 2 1 383.993 1.878 20 0 GDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(NC3CC3)cc[nH+]2)CC1 ZINC001164817636 720285828 /nfs/dbraw/zinc/28/58/28/720285828.db2.gz FMIYMJDLTPOSIZ-QZTJIDSGSA-N 2 1 384.528 1.962 20 0 GDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(NC3CC3)cc[nH+]2)CC1 ZINC001164817713 720286048 /nfs/dbraw/zinc/28/60/48/720286048.db2.gz FMIYMJDLTPOSIZ-ZWKOTPCHSA-N 2 1 384.528 1.962 20 0 GDADMP Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164738716 720627146 /nfs/dbraw/zinc/62/71/46/720627146.db2.gz DEBYRCLFZBWHAK-SJORKVTESA-N 2 1 381.484 1.517 20 0 GDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C4C[NH2+]C4)ncn3)CC[C@@H]21 ZINC001164840540 720651603 /nfs/dbraw/zinc/65/16/03/720651603.db2.gz NHBJZKZCFAGTLF-KPFFTGBYSA-N 2 1 381.528 1.738 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cccc(N4CCOCC4)[nH+]3)CC[C@@H]2C1 ZINC001164852048 720867870 /nfs/dbraw/zinc/86/78/70/720867870.db2.gz BYIMUBHFTKVAHF-MSOLQXFVSA-N 2 1 376.501 1.092 20 0 GDADMP c1cncc(CO[C@H]2C[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@@H+]3C2)c1 ZINC001164863502 721122038 /nfs/dbraw/zinc/12/20/38/721122038.db2.gz CMYMUAIWVORNRS-PMACEKPBSA-N 2 1 395.507 1.793 20 0 GDADMP c1cncc(CO[C@H]2C[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@H+]3C2)c1 ZINC001164863502 721122044 /nfs/dbraw/zinc/12/20/44/721122044.db2.gz CMYMUAIWVORNRS-PMACEKPBSA-N 2 1 395.507 1.793 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)n4)C[C@H]3C2)cn1 ZINC001164764056 721162848 /nfs/dbraw/zinc/16/28/48/721162848.db2.gz GQUMFGFICVVMBQ-WOJBJXKFSA-N 2 1 395.555 1.525 20 0 GDADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164896940 721519386 /nfs/dbraw/zinc/51/93/86/721519386.db2.gz CSCJVBQKYHKKRU-MJGOQNOKSA-N 2 1 398.486 1.367 20 0 GDADMP c1cc(C[N@H+]2CCOCC3(CCN(c4ncc5c(n4)CC[NH2+]C5)CC3)C2)ccn1 ZINC001164960540 722053443 /nfs/dbraw/zinc/05/34/43/722053443.db2.gz RSNFPOJIWWIXBD-UHFFFAOYSA-N 2 1 394.523 1.636 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571282555 945850919 /nfs/dbraw/zinc/85/09/19/945850919.db2.gz KFGCMLBUMXMRAN-GUYCJALGSA-N 2 1 387.463 1.038 20 0 GDADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)Cc1ccco1 ZINC000826507127 948426982 /nfs/dbraw/zinc/42/69/82/948426982.db2.gz JBHJEIWAEDPYBP-QGZVFWFLSA-N 2 1 396.495 1.865 20 0 GDADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574919218 948871843 /nfs/dbraw/zinc/87/18/43/948871843.db2.gz WTAVILZRKWQOKD-ZDUSSCGKSA-N 2 1 377.468 1.284 20 0 GDADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574919218 948871857 /nfs/dbraw/zinc/87/18/57/948871857.db2.gz WTAVILZRKWQOKD-ZDUSSCGKSA-N 2 1 377.468 1.284 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926491 949001964 /nfs/dbraw/zinc/00/19/64/949001964.db2.gz SFEVWYJEDZJOOZ-OAHLLOKOSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926491 949001977 /nfs/dbraw/zinc/00/19/77/949001977.db2.gz SFEVWYJEDZJOOZ-OAHLLOKOSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926491 949001987 /nfs/dbraw/zinc/00/19/87/949001987.db2.gz SFEVWYJEDZJOOZ-OAHLLOKOSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574716855 949713315 /nfs/dbraw/zinc/71/33/15/949713315.db2.gz RLPHURBRZUGJRC-DZGCQCFKSA-N 2 1 389.479 1.284 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574725590 949901548 /nfs/dbraw/zinc/90/15/48/949901548.db2.gz SWYUZFRKNRZTGQ-CYBMUJFWSA-N 2 1 377.468 1.283 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574725944 949918727 /nfs/dbraw/zinc/91/87/27/949918727.db2.gz WBTCKMMOYUDKTN-ZDUSSCGKSA-N 2 1 377.468 1.283 20 0 GDADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575285205 949936300 /nfs/dbraw/zinc/93/63/00/949936300.db2.gz LUIIFAFRTFFERX-AWEZNQCLSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194500 950349604 /nfs/dbraw/zinc/34/96/04/950349604.db2.gz ZKYQKFIAAVNXRR-QAPCUYQASA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194500 950349627 /nfs/dbraw/zinc/34/96/27/950349627.db2.gz ZKYQKFIAAVNXRR-QAPCUYQASA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194500 950349649 /nfs/dbraw/zinc/34/96/49/950349649.db2.gz ZKYQKFIAAVNXRR-QAPCUYQASA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576197280 950389396 /nfs/dbraw/zinc/38/93/96/950389396.db2.gz MQYRLMHTEPQMKU-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576197513 950398536 /nfs/dbraw/zinc/39/85/36/950398536.db2.gz PDKVCNWVUGGTCX-UKRRQHHQSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576204725 950473223 /nfs/dbraw/zinc/47/32/23/950473223.db2.gz BBJWQCPMSWFCHR-UONOGXRCSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576204837 950479310 /nfs/dbraw/zinc/47/93/10/950479310.db2.gz RMJXIHWSWFTJLH-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576204837 950479319 /nfs/dbraw/zinc/47/93/19/950479319.db2.gz RMJXIHWSWFTJLH-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576204837 950479328 /nfs/dbraw/zinc/47/93/28/950479328.db2.gz RMJXIHWSWFTJLH-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576204800 950479831 /nfs/dbraw/zinc/47/98/31/950479831.db2.gz CORCUCHFHIJKDE-ZIAGYGMSSA-N 2 1 389.479 1.332 20 0 GDADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576205049 950494003 /nfs/dbraw/zinc/49/40/03/950494003.db2.gz FXOLBECTUDJTKK-ZFWWWQNUSA-N 2 1 391.545 1.500 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205431 950520540 /nfs/dbraw/zinc/52/05/40/950520540.db2.gz IXVTWDCHIFYGLO-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205431 950520553 /nfs/dbraw/zinc/52/05/53/950520553.db2.gz IXVTWDCHIFYGLO-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205431 950520571 /nfs/dbraw/zinc/52/05/71/950520571.db2.gz IXVTWDCHIFYGLO-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576214073 950662212 /nfs/dbraw/zinc/66/22/12/950662212.db2.gz MMCUNLVGPMFNEZ-AVGNSLFASA-N 2 1 375.502 1.007 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001574771823 950939882 /nfs/dbraw/zinc/93/98/82/950939882.db2.gz KWGIGUFJQFPHCZ-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574771823 950939896 /nfs/dbraw/zinc/93/98/96/950939896.db2.gz KWGIGUFJQFPHCZ-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574771823 950939911 /nfs/dbraw/zinc/93/99/11/950939911.db2.gz KWGIGUFJQFPHCZ-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001574774017 950998365 /nfs/dbraw/zinc/99/83/65/950998365.db2.gz BCFNANRKCJDXAP-QRWLVFNGSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001574774017 950998374 /nfs/dbraw/zinc/99/83/74/950998374.db2.gz BCFNANRKCJDXAP-QRWLVFNGSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001574774017 950998384 /nfs/dbraw/zinc/99/83/84/950998384.db2.gz BCFNANRKCJDXAP-QRWLVFNGSA-N 2 1 383.500 1.289 20 0 GDADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090902 951765436 /nfs/dbraw/zinc/76/54/36/951765436.db2.gz NXEPZIWHRNJAQY-ZDUSSCGKSA-N 2 1 377.468 1.188 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098691 951825252 /nfs/dbraw/zinc/82/52/52/951825252.db2.gz FDJSJQKLPXJRBF-IHRRRGAJSA-N 2 1 391.545 1.500 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102025 951865959 /nfs/dbraw/zinc/86/59/59/951865959.db2.gz KSJSKAUDSUAGTK-KGLIPLIRSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)C1 ZINC001571234072 953198354 /nfs/dbraw/zinc/19/83/54/953198354.db2.gz MLWONXJPLXNOEO-RKVPGOIHSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)C1 ZINC001571234072 953198358 /nfs/dbraw/zinc/19/83/58/953198358.db2.gz MLWONXJPLXNOEO-RKVPGOIHSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)C1 ZINC001571234072 953198361 /nfs/dbraw/zinc/19/83/61/953198361.db2.gz MLWONXJPLXNOEO-RKVPGOIHSA-N 2 1 383.500 1.288 20 0 GDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571235198 953209644 /nfs/dbraw/zinc/20/96/44/953209644.db2.gz WPSRQXCRNPNKIY-SJLPKXTDSA-N 2 1 383.500 1.432 20 0 GDADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571235313 953211720 /nfs/dbraw/zinc/21/17/20/953211720.db2.gz ZVVZVNUDCKWJSK-FUHWJXTLSA-N 2 1 383.500 1.432 20 0 GDADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571235313 953211722 /nfs/dbraw/zinc/21/17/22/953211722.db2.gz ZVVZVNUDCKWJSK-FUHWJXTLSA-N 2 1 383.500 1.432 20 0 GDADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571235313 953211724 /nfs/dbraw/zinc/21/17/24/953211724.db2.gz ZVVZVNUDCKWJSK-FUHWJXTLSA-N 2 1 383.500 1.432 20 0 GDADMP C[N@H+](CCOc1ccc(Cl)cc1Br)CC(=O)N1CC[NH2+]CC1 ZINC000261958109 531103266 /nfs/dbraw/zinc/10/32/66/531103266.db2.gz OGOTZSKDKAQTQW-UHFFFAOYSA-N 2 1 390.709 1.845 20 0 GDADMP C[N@@H+](CCOc1ccc(Cl)cc1Br)CC(=O)N1CC[NH2+]CC1 ZINC000261958109 531103269 /nfs/dbraw/zinc/10/32/69/531103269.db2.gz OGOTZSKDKAQTQW-UHFFFAOYSA-N 2 1 390.709 1.845 20 0 GDADMP C[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000294059606 531460530 /nfs/dbraw/zinc/46/05/30/531460530.db2.gz KCZWJMCVKLSYQT-CXAGYDPISA-N 2 1 384.318 1.708 20 0 GDADMP C[N@@H+](CCOc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414680654 531461814 /nfs/dbraw/zinc/46/18/14/531461814.db2.gz NJUDRTRXCAVXQG-AWEZNQCLSA-N 2 1 384.318 1.957 20 0 GDADMP CC[NH+]1CCC(NC(=O)C[N@H+](CCO)Cc2cccc(Br)c2)CC1 ZINC000488253036 531484706 /nfs/dbraw/zinc/48/47/06/531484706.db2.gz OXYFOEBAAGVGTB-UHFFFAOYSA-N 2 1 398.345 1.844 20 0 GDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCO)Cc2cccc(Br)c2)CC1 ZINC000488253036 531484713 /nfs/dbraw/zinc/48/47/13/531484713.db2.gz OXYFOEBAAGVGTB-UHFFFAOYSA-N 2 1 398.345 1.844 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c(Br)cnn1C ZINC000294901965 531505906 /nfs/dbraw/zinc/50/59/06/531505906.db2.gz RQAZSXYHTMYKQM-ZDUSSCGKSA-N 2 1 386.338 1.671 20 0 GDADMP C[NH2+]C[C@H](C)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000659015523 531536704 /nfs/dbraw/zinc/53/67/04/531536704.db2.gz AKJAJHLVTXQPQG-NSHDSACASA-N 2 1 385.310 1.325 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3cccc(Br)c3)CC2)CC1 ZINC000560166741 531628237 /nfs/dbraw/zinc/62/82/37/531628237.db2.gz HOHIQVUCTZHPCN-UHFFFAOYSA-N 2 1 395.345 1.735 20 0 GDADMP C[NH2+][C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1cccc(Cl)c1Cl ZINC000662580185 531689247 /nfs/dbraw/zinc/68/92/47/531689247.db2.gz OGZMYVPETOYKNC-JGGQBBKZSA-N 2 1 382.295 1.941 20 0 GDADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662516335 531682202 /nfs/dbraw/zinc/68/22/02/531682202.db2.gz FWEVRZVLSBHXCL-SNVBAGLBSA-N 2 1 385.331 1.234 20 0 GDADMP O[C@H](COc1ccc(Cl)cc1Br)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000619725525 531716614 /nfs/dbraw/zinc/71/66/14/531716614.db2.gz VVEZRQGLECTVQF-WZRBSPASSA-N 2 1 375.694 1.993 20 0 GDADMP [NH3+]C1(CNC(=O)c2sc3c(c2I)C[NH2+]C3)CCC1 ZINC000595949570 531895665 /nfs/dbraw/zinc/89/56/65/531895665.db2.gz WTENJXZUSFYFPT-UHFFFAOYSA-N 2 1 377.251 1.567 20 0 GDADMP CC(C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCC(C)CC1 ZINC000736277875 598521196 /nfs/dbraw/zinc/52/11/96/598521196.db2.gz NLNDIFWSKUQOJL-RDJZCZTQSA-N 2 1 387.536 1.451 20 0 GDADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736759518 598809802 /nfs/dbraw/zinc/80/98/02/598809802.db2.gz SYYVJOXYCLYOGB-UHFFFAOYSA-N 2 1 377.880 1.732 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825849217 607525352 /nfs/dbraw/zinc/52/53/52/607525352.db2.gz IPEJFACQPSMSFJ-KURKYZTESA-N 2 1 399.499 1.379 20 0 GDADMP CC(C)C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)NCC[NH+](C)C ZINC000824276073 607977045 /nfs/dbraw/zinc/97/70/45/607977045.db2.gz ZCZOKPSHKPYARN-INIZCTEOSA-N 2 1 377.468 1.188 20 0 GDADMP Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000567873441 650926306 /nfs/dbraw/zinc/92/63/06/650926306.db2.gz VVTPWNQBFICBOM-YOEHRIQHSA-N 2 1 385.346 1.953 20 0 GDADMP Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000567873441 650926309 /nfs/dbraw/zinc/92/63/09/650926309.db2.gz VVTPWNQBFICBOM-YOEHRIQHSA-N 2 1 385.346 1.953 20 0 GDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000570162856 651027437 /nfs/dbraw/zinc/02/74/37/651027437.db2.gz SAPVATGVUMTFPF-NWDGAFQWSA-N 2 1 399.337 1.843 20 0 GDADMP O=C1[C@@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Br)c1 ZINC000420350206 645940737 /nfs/dbraw/zinc/94/07/37/645940737.db2.gz RZMBZPBMUHYJGN-IRXDYDNUSA-N 2 1 393.329 1.534 20 0 GDADMP O=C1[C@@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Br)c1 ZINC000420350206 645940741 /nfs/dbraw/zinc/94/07/41/645940741.db2.gz RZMBZPBMUHYJGN-IRXDYDNUSA-N 2 1 393.329 1.534 20 0 GDADMP Cc1[nH]nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1Br ZINC000919862993 660258849 /nfs/dbraw/zinc/25/88/49/660258849.db2.gz WQZIOWPCFTZKII-UHFFFAOYSA-N 2 1 379.262 1.880 20 0 GDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000442762464 647162839 /nfs/dbraw/zinc/16/28/39/647162839.db2.gz QSGSCDFFZYFOEU-UONOGXRCSA-N 2 1 384.318 1.955 20 0 GDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000442762464 647162841 /nfs/dbraw/zinc/16/28/41/647162841.db2.gz QSGSCDFFZYFOEU-UONOGXRCSA-N 2 1 384.318 1.955 20 0 GDADMP CN(C)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cc1Br ZINC000467244440 647639236 /nfs/dbraw/zinc/63/92/36/647639236.db2.gz WOLBVAULYTUTSO-AWEZNQCLSA-N 2 1 397.317 1.660 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cc1Br ZINC000467244440 647639244 /nfs/dbraw/zinc/63/92/44/647639244.db2.gz WOLBVAULYTUTSO-AWEZNQCLSA-N 2 1 397.317 1.660 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000470015938 647719851 /nfs/dbraw/zinc/71/98/51/647719851.db2.gz CHSIMQHDMWGNAG-LLVKDONJSA-N 2 1 384.274 1.465 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000470015938 647719854 /nfs/dbraw/zinc/71/98/54/647719854.db2.gz CHSIMQHDMWGNAG-LLVKDONJSA-N 2 1 384.274 1.465 20 0 GDADMP O=C(c1sc2c(c1I)C[NH2+]C2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000595951308 652429217 /nfs/dbraw/zinc/42/92/17/652429217.db2.gz PZXUOWLEFNCVIQ-OCAPTIKFSA-N 2 1 389.262 1.247 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1Br ZINC000633023305 653420200 /nfs/dbraw/zinc/42/02/00/653420200.db2.gz QOFQKZFNILIYHC-STQMWFEESA-N 2 1 381.274 1.022 20 0 GDADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C[C@H]1C[NH3+] ZINC000633026607 653421632 /nfs/dbraw/zinc/42/16/32/653421632.db2.gz UTTRFPIRJOIZKD-DGCLKSJQSA-N 2 1 397.317 1.502 20 0 GDADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000633039493 653423408 /nfs/dbraw/zinc/42/34/08/653423408.db2.gz LEHLPMGMZRWHIV-CMPLNLGQSA-N 2 1 383.290 1.397 20 0 GDADMP C[NH+](C)C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637470663 653529310 /nfs/dbraw/zinc/52/93/10/653529310.db2.gz BDGAWPBJWOZWIV-XJKSGUPXSA-N 2 1 389.327 1.962 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000639308009 653549755 /nfs/dbraw/zinc/54/97/55/653549755.db2.gz JUIUNKMEYLYROP-OAHLLOKOSA-N 2 1 381.523 1.252 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000639308009 653549758 /nfs/dbraw/zinc/54/97/58/653549758.db2.gz JUIUNKMEYLYROP-OAHLLOKOSA-N 2 1 381.523 1.252 20 0 GDADMP Cn1nc(Br)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000758126442 655051810 /nfs/dbraw/zinc/05/18/10/655051810.db2.gz ODWABCDKHQJMDG-UHFFFAOYSA-N 2 1 379.262 1.582 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)nn1C ZINC000760215070 655105437 /nfs/dbraw/zinc/10/54/37/655105437.db2.gz FBEJVXWPNFJFFY-ZDUSSCGKSA-N 2 1 386.338 1.671 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000923281392 656542426 /nfs/dbraw/zinc/54/24/26/656542426.db2.gz NAQGZURIYAMFEX-OCCSQVGLSA-N 2 1 390.311 1.520 20 0 GDADMP O=S(=O)(C[C@@H]1CCCC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903561046 659341078 /nfs/dbraw/zinc/34/10/78/659341078.db2.gz DFIAWMRORDCWIM-CWRNSKLLSA-N 2 1 377.501 1.652 20 0 GDADMP O=S(=O)(C[C@@H]1CCCC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903561046 659341085 /nfs/dbraw/zinc/34/10/85/659341085.db2.gz DFIAWMRORDCWIM-CWRNSKLLSA-N 2 1 377.501 1.652 20 0 GDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905286893 659440102 /nfs/dbraw/zinc/44/01/02/659440102.db2.gz SWYGGJYOBOBGEF-CVEARBPZSA-N 2 1 375.579 1.309 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164822031 720296504 /nfs/dbraw/zinc/29/65/04/720296504.db2.gz MLQKGAWZLJCWIP-MSOLQXFVSA-N 2 1 386.544 1.763 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164822041 720296789 /nfs/dbraw/zinc/29/67/89/720296789.db2.gz MLQKGAWZLJCWIP-ZWKOTPCHSA-N 2 1 386.544 1.763 20 0 GDADMP O=C(c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1)N1CC[NH2+]CC1 ZINC001164722569 720407524 /nfs/dbraw/zinc/40/75/24/720407524.db2.gz DMVRLYFZGSUTKV-UXHICEINSA-N 2 1 392.507 1.375 20 0 GDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3CC[NH2+]C4)CC[C@@H]21 ZINC001164838895 720520803 /nfs/dbraw/zinc/52/08/03/720520803.db2.gz RSAQJMPWPOVNCX-ZWOKBUDYSA-N 2 1 381.528 1.697 20 0 GDADMP c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5c4C[NH2+]C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738827 720820593 /nfs/dbraw/zinc/82/05/93/720820593.db2.gz GVRASKVZMQIFOI-GPMSIDNRSA-N 2 1 380.500 1.051 20 0 GDADMP c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5c4C[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738827 720820594 /nfs/dbraw/zinc/82/05/94/720820594.db2.gz GVRASKVZMQIFOI-GPMSIDNRSA-N 2 1 380.500 1.051 20 0 GDADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821087747 945630986 /nfs/dbraw/zinc/63/09/86/945630986.db2.gz FSYFDDHCFHQSNA-CYBMUJFWSA-N 2 1 377.518 1.921 20 0 GDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821087747 945630991 /nfs/dbraw/zinc/63/09/91/945630991.db2.gz FSYFDDHCFHQSNA-CYBMUJFWSA-N 2 1 377.518 1.921 20 0 GDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821087747 945631002 /nfs/dbraw/zinc/63/10/02/945631002.db2.gz FSYFDDHCFHQSNA-CYBMUJFWSA-N 2 1 377.518 1.921 20 0 GDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821087747 945631009 /nfs/dbraw/zinc/63/10/09/945631009.db2.gz FSYFDDHCFHQSNA-CYBMUJFWSA-N 2 1 377.518 1.921 20 0 GDADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281199 945800560 /nfs/dbraw/zinc/80/05/60/945800560.db2.gz FFDYODMUGGRZFL-JLZZUVOBSA-N 2 1 387.463 1.037 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C(C)(C)C1 ZINC001571294173 946127354 /nfs/dbraw/zinc/12/73/54/946127354.db2.gz CFCCTRHSABXINB-HIFRSBDPSA-N 2 1 389.529 1.349 20 0 GDADMP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCCO[C@@H]2CCOC2)CC1 ZINC000826514104 948438756 /nfs/dbraw/zinc/43/87/56/948438756.db2.gz HNZQLTCBIVPDJB-LJQANCHMSA-N 2 1 386.500 1.616 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574926512 949009014 /nfs/dbraw/zinc/00/90/14/949009014.db2.gz SXCUNUPDCHRQFN-HNNXBMFYSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574926512 949009029 /nfs/dbraw/zinc/00/90/29/949009029.db2.gz SXCUNUPDCHRQFN-HNNXBMFYSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574926512 949009045 /nfs/dbraw/zinc/00/90/45/949009045.db2.gz SXCUNUPDCHRQFN-HNNXBMFYSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574718244 949772771 /nfs/dbraw/zinc/77/27/71/949772771.db2.gz ZNWSVDQSLNJQAH-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574734807 950146603 /nfs/dbraw/zinc/14/66/03/950146603.db2.gz RSOWWYAMUZSAQA-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574153939 950157026 /nfs/dbraw/zinc/15/70/26/950157026.db2.gz YETQMTJOJYBTKZ-SJORKVTESA-N 2 1 385.516 1.439 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574153936 950157405 /nfs/dbraw/zinc/15/74/05/950157405.db2.gz YETQMTJOJYBTKZ-DLBZAZTESA-N 2 1 385.516 1.439 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192343 950239145 /nfs/dbraw/zinc/23/91/45/950239145.db2.gz LYNHROGRFYQRES-NNGSBXSVSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576193326 950292034 /nfs/dbraw/zinc/29/20/34/950292034.db2.gz SUROZGOCXLZTQY-OLZOCXBDSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576194503 950348705 /nfs/dbraw/zinc/34/87/05/950348705.db2.gz ZMNCXWLZUWWNAS-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196978 950375925 /nfs/dbraw/zinc/37/59/25/950375925.db2.gz KWIIQFQBDIZIHT-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP CC(C)N(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576198840 950413072 /nfs/dbraw/zinc/41/30/72/950413072.db2.gz VTPLOKYFKBUMQV-OAHLLOKOSA-N 2 1 386.504 1.277 20 0 GDADMP C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205340 950513048 /nfs/dbraw/zinc/51/30/48/950513048.db2.gz XOGKECVLCVSBDW-LSDHHAIUSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576206318 950570103 /nfs/dbraw/zinc/57/01/03/950570103.db2.gz WMBNKWZKSGUIIZ-NVXWUHKLSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576206318 950570120 /nfs/dbraw/zinc/57/01/20/950570120.db2.gz WMBNKWZKSGUIIZ-NVXWUHKLSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576206318 950570137 /nfs/dbraw/zinc/57/01/37/950570137.db2.gz WMBNKWZKSGUIIZ-NVXWUHKLSA-N 2 1 383.500 1.289 20 0 GDADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576206944 950584157 /nfs/dbraw/zinc/58/41/57/950584157.db2.gz ZSLBYUUNXBLNAO-QAPCUYQASA-N 2 1 385.516 1.439 20 0 GDADMP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001574771643 950931086 /nfs/dbraw/zinc/93/10/86/950931086.db2.gz IHZBPHZFBQDBOV-ZDUSSCGKSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001574771643 950931102 /nfs/dbraw/zinc/93/11/02/950931102.db2.gz IHZBPHZFBQDBOV-ZDUSSCGKSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001574772409 950967950 /nfs/dbraw/zinc/96/79/50/950967950.db2.gz SMPOIHITXWAJKW-CYBMUJFWSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001574772409 950967961 /nfs/dbraw/zinc/96/79/61/950967961.db2.gz SMPOIHITXWAJKW-CYBMUJFWSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082267 951732496 /nfs/dbraw/zinc/73/24/96/951732496.db2.gz WTCVZPTXZGSVEE-ZDUSSCGKSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575100646 951847914 /nfs/dbraw/zinc/84/79/14/951847914.db2.gz VDHCNHYRJJLNGY-CHWSQXEVSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113626 951943487 /nfs/dbraw/zinc/94/34/87/951943487.db2.gz CIJGTKVAUSKHAE-RDJZCZTQSA-N 2 1 385.516 1.583 20 0 GDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115122 951963352 /nfs/dbraw/zinc/96/33/52/951963352.db2.gz UXDFTZRMYZKHQO-CRAIPNDOSA-N 2 1 385.516 1.581 20 0 GDADMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[NH+](C)C ZINC001571233887 953196971 /nfs/dbraw/zinc/19/69/71/953196971.db2.gz HAUSTKDAGPTAJA-KZNAEPCWSA-N 2 1 383.500 1.240 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234542 953203135 /nfs/dbraw/zinc/20/31/35/953203135.db2.gz BGURPCCNUMNYDN-FUHWJXTLSA-N 2 1 383.500 1.289 20 0 GDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571235216 953210696 /nfs/dbraw/zinc/21/06/96/953210696.db2.gz XITKBYLOANCMJW-ZLPCBKJTSA-N 2 1 383.500 1.288 20 0 GDADMP COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000873190640 1126118094 /nfs/dbraw/zinc/11/80/94/1126118094.db2.gz BPUKDLQOWBMTTH-OAQYLSRUSA-N 2 1 385.512 1.320 20 0 GDADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1C[NH2+]CCO1 ZINC000178856573 530729414 /nfs/dbraw/zinc/72/94/14/530729414.db2.gz BILWMLHRTRBAFH-MRXNPFEDSA-N 2 1 382.302 1.518 20 0 GDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000185196295 530838036 /nfs/dbraw/zinc/83/80/36/530838036.db2.gz YFSAKCOPJDQSPG-UHFFFAOYSA-N 2 1 380.436 1.799 20 0 GDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415622043 531504343 /nfs/dbraw/zinc/50/43/43/531504343.db2.gz XCTGNKLKYPHMES-ABAIWWIYSA-N 2 1 397.317 1.563 20 0 GDADMP Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639177097 531683971 /nfs/dbraw/zinc/68/39/71/531683971.db2.gz PGFDVAWSWXFXCG-GFCCVEGCSA-N 2 1 399.314 1.820 20 0 GDADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639177097 531683982 /nfs/dbraw/zinc/68/39/82/531683982.db2.gz PGFDVAWSWXFXCG-GFCCVEGCSA-N 2 1 399.314 1.820 20 0 GDADMP O=S(=O)(NCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1F ZINC000669618695 531817866 /nfs/dbraw/zinc/81/78/66/531817866.db2.gz LLPPRCRULDFBJN-ZIAGYGMSSA-N 2 1 375.897 1.974 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(I)cn1 ZINC000596359356 531918025 /nfs/dbraw/zinc/91/80/25/531918025.db2.gz AYEKUTYHIVLJSP-NSHDSACASA-N 2 1 377.274 1.765 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(I)cn1 ZINC000596359356 531918034 /nfs/dbraw/zinc/91/80/34/531918034.db2.gz AYEKUTYHIVLJSP-NSHDSACASA-N 2 1 377.274 1.765 20 0 GDADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCCO1 ZINC000419690453 531956567 /nfs/dbraw/zinc/95/65/67/531956567.db2.gz CFGOJWJTTVQNGO-CYBMUJFWSA-N 2 1 375.922 1.578 20 0 GDADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCCO1 ZINC000419690453 531956568 /nfs/dbraw/zinc/95/65/68/531956568.db2.gz CFGOJWJTTVQNGO-CYBMUJFWSA-N 2 1 375.922 1.578 20 0 GDADMP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CCOCC[NH3+] ZINC000600735360 532052978 /nfs/dbraw/zinc/05/29/78/532052978.db2.gz MGKMZNHWEMTZMD-NSHDSACASA-N 2 1 391.253 1.525 20 0 GDADMP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000600735360 532052988 /nfs/dbraw/zinc/05/29/88/532052988.db2.gz MGKMZNHWEMTZMD-NSHDSACASA-N 2 1 391.253 1.525 20 0 GDADMP C[N@@H+](CCC(=O)Nc1ccccc1Br)CC(=O)N1CC[NH2+]CC1 ZINC000430621504 532253353 /nfs/dbraw/zinc/25/33/53/532253353.db2.gz DLDZHEPCXQNLLC-UHFFFAOYSA-N 2 1 383.290 1.141 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000825848284 607524561 /nfs/dbraw/zinc/52/45/61/607524561.db2.gz BQCYWPLHBDIQFH-NEWSRXKRSA-N 2 1 386.500 1.819 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000825850817 607525080 /nfs/dbraw/zinc/52/50/80/607525080.db2.gz SGVSTCACVYIVNV-QRQLOZEOSA-N 2 1 386.500 1.819 20 0 GDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254944 606184539 /nfs/dbraw/zinc/18/45/39/606184539.db2.gz QPHMPXKFEPJLEB-GXTWGEPZSA-N 2 1 377.518 1.919 20 0 GDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254944 606184541 /nfs/dbraw/zinc/18/45/41/606184541.db2.gz QPHMPXKFEPJLEB-GXTWGEPZSA-N 2 1 377.518 1.919 20 0 GDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254944 606184543 /nfs/dbraw/zinc/18/45/43/606184543.db2.gz QPHMPXKFEPJLEB-GXTWGEPZSA-N 2 1 377.518 1.919 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821268327 606540224 /nfs/dbraw/zinc/54/02/24/606540224.db2.gz UXJSYEBQYZJLSC-CQSZACIVSA-N 2 1 377.518 1.416 20 0 GDADMP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cn1 ZINC000530240074 649968405 /nfs/dbraw/zinc/96/84/05/649968405.db2.gz KIQSIOYBPIGYLS-OAHLLOKOSA-N 2 1 397.317 1.873 20 0 GDADMP COC[C@H](C)S(=O)(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370265247 645677556 /nfs/dbraw/zinc/67/75/56/645677556.db2.gz NTZWXHQVGOLCHW-INIZCTEOSA-N 2 1 375.579 1.479 20 0 GDADMP C[NH+]1CCN([C@@H](CNC(=O)c2csc(CC[NH3+])n2)c2cccs2)CC1 ZINC000570283272 651033851 /nfs/dbraw/zinc/03/38/51/651033851.db2.gz PGXAHWBKIFPQCY-AWEZNQCLSA-N 2 1 379.555 1.424 20 0 GDADMP O=C1[C@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Br)c1 ZINC000420350203 645940949 /nfs/dbraw/zinc/94/09/49/645940949.db2.gz RZMBZPBMUHYJGN-IAGOWNOFSA-N 2 1 393.329 1.534 20 0 GDADMP O=C1[C@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Br)c1 ZINC000420350203 645940953 /nfs/dbraw/zinc/94/09/53/645940953.db2.gz RZMBZPBMUHYJGN-IAGOWNOFSA-N 2 1 393.329 1.534 20 0 GDADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351559 645941566 /nfs/dbraw/zinc/94/15/66/645941566.db2.gz XHDNOPQWIOTUCE-CZUORRHYSA-N 2 1 381.318 1.756 20 0 GDADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351559 645941567 /nfs/dbraw/zinc/94/15/67/645941567.db2.gz XHDNOPQWIOTUCE-CZUORRHYSA-N 2 1 381.318 1.756 20 0 GDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000515434915 648496205 /nfs/dbraw/zinc/49/62/05/648496205.db2.gz QDUIAXRNFDCYLP-YPMHNXCESA-N 2 1 399.264 1.161 20 0 GDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000515434915 648496208 /nfs/dbraw/zinc/49/62/08/648496208.db2.gz QDUIAXRNFDCYLP-YPMHNXCESA-N 2 1 399.264 1.161 20 0 GDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595953218 652430125 /nfs/dbraw/zinc/43/01/25/652430125.db2.gz XPOCLVAEXYUERA-SFYZADRCSA-N 2 1 391.278 1.813 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c(Br)nnn1C ZINC000810299526 655154737 /nfs/dbraw/zinc/15/47/37/655154737.db2.gz CMUOZWUEGDSDJE-LBPRGKRZSA-N 2 1 387.326 1.066 20 0 GDADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)Nc1ccc(Br)cc1Cl ZINC000923464700 656554213 /nfs/dbraw/zinc/55/42/13/656554213.db2.gz RKNRYRXMGKARHA-UHFFFAOYSA-N 2 1 375.698 1.536 20 0 GDADMP COCC[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000877664401 656686875 /nfs/dbraw/zinc/68/68/75/656686875.db2.gz NXOGVBIVFPOFHB-UHFFFAOYSA-N 2 1 389.949 1.778 20 0 GDADMP CC(C)CC[NH+]1CCC([NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000925395115 656709824 /nfs/dbraw/zinc/70/98/24/656709824.db2.gz ZLRVYCHEZFXDJW-GOSISDBHSA-N 2 1 375.579 1.575 20 0 GDADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2I)C1 ZINC000911636295 660013075 /nfs/dbraw/zinc/01/30/75/660013075.db2.gz VOOUAVPYGNRTDZ-SMDDNHRTSA-N 2 1 387.265 1.749 20 0 GDADMP C[C@H]([NH3+])C1CCN(C(=O)[C@H]([NH3+])c2ccccc2I)CC1 ZINC000911761439 660018071 /nfs/dbraw/zinc/01/80/71/660018071.db2.gz PVPSJUTXIGSMFD-IINYFYTJSA-N 2 1 387.265 1.877 20 0 GDADMP CCc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(N2CCOCC2)n1 ZINC001164681654 719630111 /nfs/dbraw/zinc/63/01/11/719630111.db2.gz KONKXBIRRPPRLD-UHFFFAOYSA-N 2 1 399.543 1.547 20 0 GDADMP CCc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(N2CCOCC2)n1 ZINC001164681654 719630115 /nfs/dbraw/zinc/63/01/15/719630115.db2.gz KONKXBIRRPPRLD-UHFFFAOYSA-N 2 1 399.543 1.547 20 0 GDADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c12 ZINC001164729979 720509613 /nfs/dbraw/zinc/50/96/13/720509613.db2.gz LOKVFBKROLJLSH-ZDUSSCGKSA-N 2 1 383.456 1.529 20 0 GDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C4C[NH2+]C4)ncn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840543 720651245 /nfs/dbraw/zinc/65/12/45/720651245.db2.gz NHBJZKZCFAGTLF-XKGZKEIXSA-N 2 1 381.528 1.738 20 0 GDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C4C[NH2+]C4)ncn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840537 720651647 /nfs/dbraw/zinc/65/16/47/720651647.db2.gz NHBJZKZCFAGTLF-IMFGXOCKSA-N 2 1 381.528 1.738 20 0 GDADMP c1cc(N2CCOCC2)[nH+]c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164745290 720738507 /nfs/dbraw/zinc/73/85/07/720738507.db2.gz UYRYKKUPQNGLCM-DLBZAZTESA-N 2 1 382.468 1.050 20 0 GDADMP c1cc(N2CCOCC2)[nH+]c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164745290 720738515 /nfs/dbraw/zinc/73/85/15/720738515.db2.gz UYRYKKUPQNGLCM-DLBZAZTESA-N 2 1 382.468 1.050 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC[C@@H]2C1 ZINC001164859515 720869952 /nfs/dbraw/zinc/86/99/52/720869952.db2.gz UFHYMNQISBRRLE-MJGOQNOKSA-N 3 1 389.544 1.183 20 0 GDADMP COCC[N@@H+]1CCO[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)CC[C@@H]2C1 ZINC001164859515 720869953 /nfs/dbraw/zinc/86/99/53/720869953.db2.gz UFHYMNQISBRRLE-MJGOQNOKSA-N 2 1 389.544 1.183 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)CC[C@@H]2C1 ZINC001164859515 720869954 /nfs/dbraw/zinc/86/99/54/720869954.db2.gz UFHYMNQISBRRLE-MJGOQNOKSA-N 2 1 389.544 1.183 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164769900 721143024 /nfs/dbraw/zinc/14/30/24/721143024.db2.gz PYPOGEYKRLADSK-MSOLQXFVSA-N 2 1 395.511 1.770 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164769900 721143029 /nfs/dbraw/zinc/14/30/29/721143029.db2.gz PYPOGEYKRLADSK-MSOLQXFVSA-N 2 1 395.511 1.770 20 0 GDADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001571265127 945501434 /nfs/dbraw/zinc/50/14/34/945501434.db2.gz DKCODAYSIKETGY-ROUUACIJSA-N 2 1 385.516 1.630 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282780 945863523 /nfs/dbraw/zinc/86/35/23/945863523.db2.gz QVGJJULCAXDHFU-GJZGRUSLSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282780 945863536 /nfs/dbraw/zinc/86/35/36/945863536.db2.gz QVGJJULCAXDHFU-GJZGRUSLSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282780 945863549 /nfs/dbraw/zinc/86/35/49/945863549.db2.gz QVGJJULCAXDHFU-GJZGRUSLSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574925988 948981311 /nfs/dbraw/zinc/98/13/11/948981311.db2.gz FVJQAYFECQAZSE-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574925988 948981321 /nfs/dbraw/zinc/98/13/21/948981321.db2.gz FVJQAYFECQAZSE-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574925988 948981330 /nfs/dbraw/zinc/98/13/30/948981330.db2.gz FVJQAYFECQAZSE-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574925988 948981344 /nfs/dbraw/zinc/98/13/44/948981344.db2.gz FVJQAYFECQAZSE-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575270437 949587849 /nfs/dbraw/zinc/58/78/49/949587849.db2.gz ZQQIDBYCYKCUDP-HUUCEWRRSA-N 2 1 383.500 1.145 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574151222 950064427 /nfs/dbraw/zinc/06/44/27/950064427.db2.gz NUAZVKIMKXNVBB-ROUUACIJSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576194187 950330969 /nfs/dbraw/zinc/33/09/69/950330969.db2.gz XMCWOUCOYQDZOG-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576197511 950394357 /nfs/dbraw/zinc/39/43/57/950394357.db2.gz PDKVCNWVUGGTCX-HIFRSBDPSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575909587 950401355 /nfs/dbraw/zinc/40/13/55/950401355.db2.gz HPKJMLXPNSAWNY-RDTXWAMCSA-N 2 1 383.500 1.430 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)C1 ZINC001576205598 950529228 /nfs/dbraw/zinc/52/92/28/950529228.db2.gz KIIWGLCGSUOCJN-CYBMUJFWSA-N 2 1 387.463 1.086 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576206271 950565316 /nfs/dbraw/zinc/56/53/16/950565316.db2.gz VWOOFHUKBSJFGJ-KGLIPLIRSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576206271 950565332 /nfs/dbraw/zinc/56/53/32/950565332.db2.gz VWOOFHUKBSJFGJ-KGLIPLIRSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576206271 950565347 /nfs/dbraw/zinc/56/53/47/950565347.db2.gz VWOOFHUKBSJFGJ-KGLIPLIRSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576207000 950589295 /nfs/dbraw/zinc/58/92/95/950589295.db2.gz BEZQQGGXTJTXGF-QILLFSRXSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001576208962 950621113 /nfs/dbraw/zinc/62/11/13/950621113.db2.gz WIRUTOIFZRMUFL-DAYGRLMNSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001576208962 950621133 /nfs/dbraw/zinc/62/11/33/950621133.db2.gz WIRUTOIFZRMUFL-DAYGRLMNSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001576208962 950621152 /nfs/dbraw/zinc/62/11/52/950621152.db2.gz WIRUTOIFZRMUFL-DAYGRLMNSA-N 2 1 383.500 1.288 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574524535 950867809 /nfs/dbraw/zinc/86/78/09/950867809.db2.gz XZCFIYRXZXKGNP-ZIAGYGMSSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077278 951666485 /nfs/dbraw/zinc/66/64/85/951666485.db2.gz BXJLVFVQESEZEZ-WOSRLPQWSA-N 2 1 389.479 1.188 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089573 951750397 /nfs/dbraw/zinc/75/03/97/951750397.db2.gz GTPAGFFUEIZGLZ-UONOGXRCSA-N 2 1 389.479 1.190 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234543 953203286 /nfs/dbraw/zinc/20/32/86/953203286.db2.gz BGURPCCNUMNYDN-SJLPKXTDSA-N 2 1 383.500 1.289 20 0 GDADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)COc1ccccc1Br ZINC000484790274 531424288 /nfs/dbraw/zinc/42/42/88/531424288.db2.gz LGVWFZJLDIDGGH-SRABZTEZSA-N 2 1 399.329 1.936 20 0 GDADMP [NH3+]CC1(O)CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000415139162 531465631 /nfs/dbraw/zinc/46/56/31/531465631.db2.gz IKEHAWRSHLVCEW-UHFFFAOYSA-N 2 1 384.318 1.571 20 0 GDADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415544466 531492896 /nfs/dbraw/zinc/49/28/96/531492896.db2.gz UGTIFYZGURVNLX-RYUDHWBXSA-N 2 1 397.317 1.645 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000659016309 531535650 /nfs/dbraw/zinc/53/56/50/531535650.db2.gz XBDPRBNDVKNPEJ-LBPRGKRZSA-N 2 1 383.294 1.079 20 0 GDADMP CCN(CC)CCS(=O)(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000558487729 531563309 /nfs/dbraw/zinc/56/33/09/531563309.db2.gz GPNLEJXPFWGITQ-GOSISDBHSA-N 2 1 385.599 1.865 20 0 GDADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595948587 531894850 /nfs/dbraw/zinc/89/48/50/531894850.db2.gz SLBHKZPDQSICJR-SFYZADRCSA-N 2 1 391.278 1.765 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000625892734 531919369 /nfs/dbraw/zinc/91/93/69/531919369.db2.gz XBDPRBNDVKNPEJ-GFCCVEGCSA-N 2 1 383.294 1.079 20 0 GDADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCCO1 ZINC000419690454 531956061 /nfs/dbraw/zinc/95/60/61/531956061.db2.gz CFGOJWJTTVQNGO-ZDUSSCGKSA-N 2 1 375.922 1.578 20 0 GDADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCCO1 ZINC000419690454 531956070 /nfs/dbraw/zinc/95/60/70/531956070.db2.gz CFGOJWJTTVQNGO-ZDUSSCGKSA-N 2 1 375.922 1.578 20 0 GDADMP Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000423108354 532072782 /nfs/dbraw/zinc/07/27/82/532072782.db2.gz LYLFRZGFGVLSKK-NSHDSACASA-N 2 1 376.320 1.233 20 0 GDADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423207962 532074172 /nfs/dbraw/zinc/07/41/72/532074172.db2.gz HKSCQYSCRLCBJW-WDEREUQCSA-N 2 1 376.320 1.747 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sccc1-c1nn[nH]n1 ZINC000736571895 598231297 /nfs/dbraw/zinc/23/12/97/598231297.db2.gz SVXMXKRYWFMBAX-ZDUSSCGKSA-N 2 1 377.518 1.416 20 0 GDADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000738440465 598520646 /nfs/dbraw/zinc/52/06/46/598520646.db2.gz FLDZPGBUDBZPLL-HNNXBMFYSA-N 2 1 393.499 1.143 20 0 GDADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCC[N@H+]1CCc3ccccc3C1)C2 ZINC000738440465 598520647 /nfs/dbraw/zinc/52/06/47/598520647.db2.gz FLDZPGBUDBZPLL-HNNXBMFYSA-N 2 1 393.499 1.143 20 0 GDADMP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738389008 599590170 /nfs/dbraw/zinc/59/01/70/599590170.db2.gz VHOMDHSVCZBJKY-QZTJIDSGSA-N 2 1 386.500 1.557 20 0 GDADMP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738389008 599590173 /nfs/dbraw/zinc/59/01/73/599590173.db2.gz VHOMDHSVCZBJKY-QZTJIDSGSA-N 2 1 386.500 1.557 20 0 GDADMP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000824296702 607472093 /nfs/dbraw/zinc/47/20/93/607472093.db2.gz KJYKVRJRAUCHRV-UHFFFAOYSA-N 2 1 399.543 1.736 20 0 GDADMP COc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1-c1nn[nH]n1 ZINC000826195286 607523740 /nfs/dbraw/zinc/52/37/40/607523740.db2.gz NWIHYDLROIRWAL-UHFFFAOYSA-N 2 1 399.543 1.866 20 0 GDADMP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cn1 ZINC000530240072 649968229 /nfs/dbraw/zinc/96/82/29/649968229.db2.gz KIQSIOYBPIGYLS-HNNXBMFYSA-N 2 1 397.317 1.873 20 0 GDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000821623082 606926659 /nfs/dbraw/zinc/92/66/59/606926659.db2.gz BZUNFGXBURKKJC-SFHVURJKSA-N 2 1 385.516 1.347 20 0 GDADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000821623082 606926660 /nfs/dbraw/zinc/92/66/60/606926660.db2.gz BZUNFGXBURKKJC-SFHVURJKSA-N 2 1 385.516 1.347 20 0 GDADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c2cccs2)CC1 ZINC000552072218 650618853 /nfs/dbraw/zinc/61/88/53/650618853.db2.gz LSZAPXLFQHOZGJ-YESZJQIVSA-N 2 1 385.599 1.982 20 0 GDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ncccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000323965246 645259059 /nfs/dbraw/zinc/25/90/59/645259059.db2.gz HHBLOBYVVMOTCV-UKRRQHHQSA-N 2 1 381.318 1.924 20 0 GDADMP O=C(NC[C@H]1CCC[N@H+](Cc2ncccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000323965246 645259061 /nfs/dbraw/zinc/25/90/61/645259061.db2.gz HHBLOBYVVMOTCV-UKRRQHHQSA-N 2 1 381.318 1.924 20 0 GDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000323965247 645259149 /nfs/dbraw/zinc/25/91/49/645259149.db2.gz HHBLOBYVVMOTCV-ZFWWWQNUSA-N 2 1 381.318 1.924 20 0 GDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ncccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000323965247 645259153 /nfs/dbraw/zinc/25/91/53/645259153.db2.gz HHBLOBYVVMOTCV-ZFWWWQNUSA-N 2 1 381.318 1.924 20 0 GDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000423100527 646113971 /nfs/dbraw/zinc/11/39/71/646113971.db2.gz GZWZNVLTAGTRHV-GXTWGEPZSA-N 2 1 390.347 1.705 20 0 GDADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423390391 646124479 /nfs/dbraw/zinc/12/44/79/646124479.db2.gz VXBPYMMUABGTNH-JFGNBEQYSA-N 2 1 376.320 1.888 20 0 GDADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423406479 646124702 /nfs/dbraw/zinc/12/47/02/646124702.db2.gz USKAQEPRNLDCAT-KWBADKCTSA-N 2 1 376.320 1.745 20 0 GDADMP O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000514926012 648472031 /nfs/dbraw/zinc/47/20/31/648472031.db2.gz MFBRYOSBHQTXOP-CYBMUJFWSA-N 2 1 375.897 1.785 20 0 GDADMP CN(C(=O)c1sc2c(c1I)C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000595924521 652427307 /nfs/dbraw/zinc/42/73/07/652427307.db2.gz LWNZMEQTACRUKQ-ZETCQYMHSA-N 2 1 377.251 1.390 20 0 GDADMP NS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629562347 653172257 /nfs/dbraw/zinc/17/22/57/653172257.db2.gz BKQDANHEFBUTGT-FZMZJTMJSA-N 2 1 381.420 1.172 20 0 GDADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629562347 653172258 /nfs/dbraw/zinc/17/22/58/653172258.db2.gz BKQDANHEFBUTGT-FZMZJTMJSA-N 2 1 381.420 1.172 20 0 GDADMP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000631910029 653267254 /nfs/dbraw/zinc/26/72/54/653267254.db2.gz VFHLGUDQPNKITN-RHSMWYFYSA-N 2 1 387.933 1.385 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000639308008 653549669 /nfs/dbraw/zinc/54/96/69/653549669.db2.gz JUIUNKMEYLYROP-HNNXBMFYSA-N 2 1 381.523 1.252 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000639308008 653549673 /nfs/dbraw/zinc/54/96/73/653549673.db2.gz JUIUNKMEYLYROP-HNNXBMFYSA-N 2 1 381.523 1.252 20 0 GDADMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)COc1ccc(Br)cc1)CCO2 ZINC000646102923 653608829 /nfs/dbraw/zinc/60/88/29/653608829.db2.gz XVYXAJGDKNERGC-INIZCTEOSA-N 2 1 399.329 1.985 20 0 GDADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)COc1ccc(Br)cc1)CCO2 ZINC000646102923 653608830 /nfs/dbraw/zinc/60/88/30/653608830.db2.gz XVYXAJGDKNERGC-INIZCTEOSA-N 2 1 399.329 1.985 20 0 GDADMP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647836153 653635719 /nfs/dbraw/zinc/63/57/19/653635719.db2.gz CUNJKALSJOJZSC-INIZCTEOSA-N 2 1 381.318 1.391 20 0 GDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647836153 653635720 /nfs/dbraw/zinc/63/57/20/653635720.db2.gz CUNJKALSJOJZSC-INIZCTEOSA-N 2 1 381.318 1.391 20 0 GDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3n[nH]cc3Br)CC2)CC1 ZINC000654725316 653944279 /nfs/dbraw/zinc/94/42/79/653944279.db2.gz GCFINIDEQPAKLK-UHFFFAOYSA-N 2 1 398.349 1.985 20 0 GDADMP O=S(=O)(NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1Cl ZINC000669851967 654511899 /nfs/dbraw/zinc/51/18/99/654511899.db2.gz FAXPRBALYHRZGC-KGLIPLIRSA-N 2 1 375.897 1.974 20 0 GDADMP O=S(=O)(NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1Cl ZINC000669851967 654511901 /nfs/dbraw/zinc/51/19/01/654511901.db2.gz FAXPRBALYHRZGC-KGLIPLIRSA-N 2 1 375.897 1.974 20 0 GDADMP CC[NH+]1CCC([N@@H+]2CCCN(CCn3cnc(Br)n3)CC2)CC1 ZINC000852184178 655609624 /nfs/dbraw/zinc/60/96/24/655609624.db2.gz HVMIWLXJPIENAA-UHFFFAOYSA-N 2 1 385.354 1.533 20 0 GDADMP CC[NH+]1CCC([N@H+]2CCCN(CCn3cnc(Br)n3)CC2)CC1 ZINC000852184178 655609625 /nfs/dbraw/zinc/60/96/25/655609625.db2.gz HVMIWLXJPIENAA-UHFFFAOYSA-N 2 1 385.354 1.533 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1Br ZINC000868304257 656149952 /nfs/dbraw/zinc/14/99/52/656149952.db2.gz DVCGPFBCEYRZHS-UMSPYCQHSA-N 2 1 383.290 1.303 20 0 GDADMP COc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Br ZINC000872254399 656321711 /nfs/dbraw/zinc/32/17/11/656321711.db2.gz CFDNEYCCWOGCBB-BJJXKVORSA-N 2 1 396.285 1.825 20 0 GDADMP COc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Br ZINC000872254399 656321715 /nfs/dbraw/zinc/32/17/15/656321715.db2.gz CFDNEYCCWOGCBB-BJJXKVORSA-N 2 1 396.285 1.825 20 0 GDADMP CC[N@@H+](C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@H]1CCC[NH2+]CC1 ZINC000923334057 656546025 /nfs/dbraw/zinc/54/60/25/656546025.db2.gz AJZQUNBWNZOMRD-HOTGVXAUSA-N 2 1 375.579 1.452 20 0 GDADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000923484117 656555103 /nfs/dbraw/zinc/55/51/03/656555103.db2.gz VXZPLBXBVPGAJJ-ZDUSSCGKSA-N 2 1 386.327 1.708 20 0 GDADMP C[N@H+]1CCN(CC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1(C)C ZINC000894660634 658595366 /nfs/dbraw/zinc/59/53/66/658595366.db2.gz QWMYWRHOVUMKJD-UHFFFAOYSA-N 2 1 387.981 1.749 20 0 GDADMP OC[C@@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000903940096 659389855 /nfs/dbraw/zinc/38/98/55/659389855.db2.gz WJPONQJQPNSXHQ-GDBMZVCRSA-N 2 1 380.290 1.788 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)n2)CC1 ZINC001164619773 719048906 /nfs/dbraw/zinc/04/89/06/719048906.db2.gz DTYMUIMZYYYDQO-SIKLNZKXSA-N 2 1 378.524 1.812 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)c(F)cc2C(N)=O)c2c1CC[NH2+]C2 ZINC001164686072 719611937 /nfs/dbraw/zinc/61/19/37/719611937.db2.gz XZOSOUXOQGFRQX-UHFFFAOYSA-N 2 1 380.855 1.645 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)c(F)cc2C(N)=O)c2c1CC[NH2+]C2 ZINC001164686072 719611940 /nfs/dbraw/zinc/61/19/40/719611940.db2.gz XZOSOUXOQGFRQX-UHFFFAOYSA-N 2 1 380.855 1.645 20 0 GDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(NC3CC3)cc[nH+]2)CC1 ZINC001164817711 720286131 /nfs/dbraw/zinc/28/61/31/720286131.db2.gz FMIYMJDLTPOSIZ-ROUUACIJSA-N 2 1 384.528 1.962 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822625 720301038 /nfs/dbraw/zinc/30/10/38/720301038.db2.gz NSDGHGJWEJYPJM-MSOLQXFVSA-N 2 1 382.512 1.880 20 0 GDADMP C[NH+]1CCN(c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nn2)CC1 ZINC001164729788 720338343 /nfs/dbraw/zinc/33/83/43/720338343.db2.gz YBSGSCTWOSRSRS-RTBURBONSA-N 2 1 379.512 1.477 20 0 GDADMP CCc1cc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc(N2CCOCC2)[nH+]1 ZINC001164730822 720519770 /nfs/dbraw/zinc/51/97/70/720519770.db2.gz UCTWBKFZLRNXNH-INIZCTEOSA-N 2 1 385.516 1.270 20 0 GDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3CC[NH2+]C4)CC[C@@H]21 ZINC001164838891 720521001 /nfs/dbraw/zinc/52/10/01/720521001.db2.gz RSAQJMPWPOVNCX-UWVAXJGDSA-N 2 1 381.528 1.697 20 0 GDADMP COCC[N@@H+]1CCO[C@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)CC[C@@H]2C1 ZINC001164858583 720873465 /nfs/dbraw/zinc/87/34/65/720873465.db2.gz LGWGCTNWLSKQER-MSOLQXFVSA-N 2 1 375.517 1.640 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)CC[C@@H]2C1 ZINC001164858583 720873467 /nfs/dbraw/zinc/87/34/67/720873467.db2.gz LGWGCTNWLSKQER-MSOLQXFVSA-N 2 1 375.517 1.640 20 0 GDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(N3CC[NH2+]CC3)nn1)[C@H]2C ZINC001164863109 720937290 /nfs/dbraw/zinc/93/72/90/720937290.db2.gz YBYBFQSBHVAPKN-INIZCTEOSA-N 2 1 384.532 1.504 20 0 GDADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@H+]3C2)c1 ZINC001164867506 721045399 /nfs/dbraw/zinc/04/53/99/721045399.db2.gz JICINQRIQSFRPA-MSOLQXFVSA-N 2 1 380.496 1.040 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[NH2+]C3)[C@H]2CCCO[C@@H]12 ZINC001164809611 721534074 /nfs/dbraw/zinc/53/40/74/721534074.db2.gz VRJPTKKOBDFDEX-TUNNFDKTSA-N 2 1 379.508 1.991 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C3C[NH2+]C3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164808063 721591877 /nfs/dbraw/zinc/59/18/77/721591877.db2.gz PTHURDWRGLUTDD-SBHAEUEKSA-N 2 1 380.496 1.427 20 0 GDADMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC001571264994 945497976 /nfs/dbraw/zinc/49/79/76/945497976.db2.gz BZVREUGGMGPMCS-ZWKOTPCHSA-N 2 1 385.516 1.487 20 0 GDADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)[NH+](C)C ZINC001571266015 945529157 /nfs/dbraw/zinc/52/91/57/945529157.db2.gz TVKSSPNDMNJGSF-WMZOPIPTSA-N 2 1 385.516 1.630 20 0 GDADMP CC(C)[C@H](C(=O)N1CCC[C@@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571272476 945663282 /nfs/dbraw/zinc/66/32/82/945663282.db2.gz UEMDMWUNDKFNGM-RHSMWYFYSA-N 2 1 386.504 1.275 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571282553 945848979 /nfs/dbraw/zinc/84/89/79/945848979.db2.gz KFGCMLBUMXMRAN-CXAGYDPISA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571294744 946142354 /nfs/dbraw/zinc/14/23/54/946142354.db2.gz LUHKEMVWKWWVMW-AWEZNQCLSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571295533 946166775 /nfs/dbraw/zinc/16/67/75/946166775.db2.gz WUBIBPDZHNLDPZ-IHRRRGAJSA-N 2 1 389.529 1.349 20 0 GDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571295533 946166782 /nfs/dbraw/zinc/16/67/82/946166782.db2.gz WUBIBPDZHNLDPZ-IHRRRGAJSA-N 2 1 389.529 1.349 20 0 GDADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+]1CCCC1 ZINC001573774522 949014158 /nfs/dbraw/zinc/01/41/58/949014158.db2.gz UBVUPHGXJAZPMV-QGZVFWFLSA-N 2 1 383.500 1.432 20 0 GDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574704400 949385093 /nfs/dbraw/zinc/38/50/93/949385093.db2.gz BZDSJZSXJLZHFH-MAUKXSAKSA-N 2 1 385.516 1.676 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574705305 949419934 /nfs/dbraw/zinc/41/99/34/949419934.db2.gz HJFGIEFIPKABLH-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873687 949588157 /nfs/dbraw/zinc/58/81/57/949588157.db2.gz BOWFWIWNXKXQOM-YJBOKZPZSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873687 949588174 /nfs/dbraw/zinc/58/81/74/949588174.db2.gz BOWFWIWNXKXQOM-YJBOKZPZSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574717753 949742336 /nfs/dbraw/zinc/74/23/36/949742336.db2.gz XBGMRPBWVLMYHH-STQMWFEESA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001576196648 950368047 /nfs/dbraw/zinc/36/80/47/950368047.db2.gz FNABIKVYSMMDQS-HNNXBMFYSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576196778 950373333 /nfs/dbraw/zinc/37/33/33/950373333.db2.gz HVCMADISGUUFJG-AWEZNQCLSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576196778 950373349 /nfs/dbraw/zinc/37/33/49/950373349.db2.gz HVCMADISGUUFJG-AWEZNQCLSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576196778 950373369 /nfs/dbraw/zinc/37/33/69/950373369.db2.gz HVCMADISGUUFJG-AWEZNQCLSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001576204312 950458127 /nfs/dbraw/zinc/45/81/27/950458127.db2.gz NVMWHOOTCFCNOH-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576204312 950458141 /nfs/dbraw/zinc/45/81/41/950458141.db2.gz NVMWHOOTCFCNOH-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576204312 950458153 /nfs/dbraw/zinc/45/81/53/950458153.db2.gz NVMWHOOTCFCNOH-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576205396 950514182 /nfs/dbraw/zinc/51/41/82/950514182.db2.gz IKOMRKFAHGWLET-CHWSQXEVSA-N 2 1 377.518 1.254 20 0 GDADMP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575925732 950694197 /nfs/dbraw/zinc/69/41/97/950694197.db2.gz IFDYXRMBJQVGAC-DZGCQCFKSA-N 2 1 386.504 1.063 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001574771915 950948541 /nfs/dbraw/zinc/94/85/41/950948541.db2.gz MUCPNQZFUIIANR-CYBMUJFWSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCC[NH+]1C ZINC001574774031 950998197 /nfs/dbraw/zinc/99/81/97/950998197.db2.gz BIRMXTLIWFFABO-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574774031 950998208 /nfs/dbraw/zinc/99/82/08/950998208.db2.gz BIRMXTLIWFFABO-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574774031 950998221 /nfs/dbraw/zinc/99/82/21/950998221.db2.gz BIRMXTLIWFFABO-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575091927 951787209 /nfs/dbraw/zinc/78/72/09/951787209.db2.gz ZCZNJJXOYBBHIM-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094750 951807148 /nfs/dbraw/zinc/80/71/48/951807148.db2.gz OYYLAMHLYAVFDG-VKJFTORMSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099640 951839031 /nfs/dbraw/zinc/83/90/31/951839031.db2.gz OGWOTKQSOSUREL-YRGRVCCFSA-N 2 1 377.518 1.110 20 0 GDADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103624 951878138 /nfs/dbraw/zinc/87/81/38/951878138.db2.gz URTAAIMMWLLUGQ-CYBMUJFWSA-N 2 1 377.468 1.188 20 0 GDADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575110206 951937494 /nfs/dbraw/zinc/93/74/94/951937494.db2.gz YBYSCHNDTATWOO-DAYGRLMNSA-N 2 1 385.516 1.534 20 0 GDADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571234252 953200357 /nfs/dbraw/zinc/20/03/57/953200357.db2.gz QZZRBYDQVKMNRC-ZWKOTPCHSA-N 2 1 383.500 1.432 20 0 GDADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571234252 953200359 /nfs/dbraw/zinc/20/03/59/953200359.db2.gz QZZRBYDQVKMNRC-ZWKOTPCHSA-N 2 1 383.500 1.432 20 0 GDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571249653 953305621 /nfs/dbraw/zinc/30/56/21/953305621.db2.gz KEGLFCRAZXBJBU-PBHICJAKSA-N 2 1 384.488 1.077 20 0 GDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571249653 953305626 /nfs/dbraw/zinc/30/56/26/953305626.db2.gz KEGLFCRAZXBJBU-PBHICJAKSA-N 2 1 384.488 1.077 20 0 GDADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000178856561 530729594 /nfs/dbraw/zinc/72/95/94/530729594.db2.gz BILWMLHRTRBAFH-INIZCTEOSA-N 2 1 382.302 1.518 20 0 GDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000187975994 530882147 /nfs/dbraw/zinc/88/21/47/530882147.db2.gz VIDHTZDAUCHMDL-DLBZAZTESA-N 2 1 396.329 1.907 20 0 GDADMP O=C(CC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1)N1CC[NH2+]CC1 ZINC000262000286 531104975 /nfs/dbraw/zinc/10/49/75/531104975.db2.gz DNKGBGJECAVNHK-INIZCTEOSA-N 2 1 382.302 1.644 20 0 GDADMP O=C(CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1)N1CC[NH2+]CC1 ZINC000262000286 531104977 /nfs/dbraw/zinc/10/49/77/531104977.db2.gz DNKGBGJECAVNHK-INIZCTEOSA-N 2 1 382.302 1.644 20 0 GDADMP Cc1nn(C)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1Br ZINC000414977724 531464575 /nfs/dbraw/zinc/46/45/75/531464575.db2.gz RPGBECOCROQVMT-LLVKDONJSA-N 2 1 384.244 1.417 20 0 GDADMP [NH3+][C@@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccccc1Br ZINC000662407442 531678464 /nfs/dbraw/zinc/67/84/64/531678464.db2.gz BJYHXHYMACVACB-MRXNPFEDSA-N 2 1 390.285 1.892 20 0 GDADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662437424 531678664 /nfs/dbraw/zinc/67/86/64/531678664.db2.gz DRCXXIWPOHDTOA-IUODEOHRSA-N 2 1 397.317 1.153 20 0 GDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662437424 531678669 /nfs/dbraw/zinc/67/86/69/531678669.db2.gz DRCXXIWPOHDTOA-IUODEOHRSA-N 2 1 397.317 1.153 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1Br ZINC000663610532 531716850 /nfs/dbraw/zinc/71/68/50/531716850.db2.gz FMNJQLRXWSUDPD-INIZCTEOSA-N 2 1 383.290 1.317 20 0 GDADMP C[C@@H](NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000320692986 532068841 /nfs/dbraw/zinc/06/88/41/532068841.db2.gz GXYJRQMPWSBTSJ-CQSZACIVSA-N 2 1 383.334 1.463 20 0 GDADMP C[C@@H](NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000320692986 532068846 /nfs/dbraw/zinc/06/88/46/532068846.db2.gz GXYJRQMPWSBTSJ-CQSZACIVSA-N 2 1 383.334 1.463 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000286740490 532172708 /nfs/dbraw/zinc/17/27/08/532172708.db2.gz YEIIQVCUNUOCSV-QGZVFWFLSA-N 2 1 384.318 1.410 20 0 GDADMP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000397007730 532302407 /nfs/dbraw/zinc/30/24/07/532302407.db2.gz IARYKGRPMGVGIX-UHFFFAOYSA-N 2 1 389.237 1.015 20 0 GDADMP O=S1(=O)CCC(O)(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000333444606 570792432 /nfs/dbraw/zinc/79/24/32/570792432.db2.gz MKICHQKIGJXQSH-UHFFFAOYSA-N 2 1 392.565 1.914 20 0 GDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736237066 599029306 /nfs/dbraw/zinc/02/93/06/599029306.db2.gz OJKZFEFPAHUEJD-CALCHBBNSA-N 2 1 397.527 1.774 20 0 GDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736237066 599029309 /nfs/dbraw/zinc/02/93/09/599029309.db2.gz OJKZFEFPAHUEJD-CALCHBBNSA-N 2 1 397.527 1.774 20 0 GDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736237066 599029311 /nfs/dbraw/zinc/02/93/11/599029311.db2.gz OJKZFEFPAHUEJD-CALCHBBNSA-N 2 1 397.527 1.774 20 0 GDADMP C[N@@H+](CCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Cc1ccccc1 ZINC000736799457 598518920 /nfs/dbraw/zinc/51/89/20/598518920.db2.gz FENVHFGKRUTZGT-INIZCTEOSA-N 2 1 381.488 1.217 20 0 GDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820684197 606890630 /nfs/dbraw/zinc/89/06/30/606890630.db2.gz MZIDCBPRHHOSOF-QKLQHJQFSA-N 2 1 399.543 1.391 20 0 GDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820684197 606890631 /nfs/dbraw/zinc/89/06/31/606890631.db2.gz MZIDCBPRHHOSOF-QKLQHJQFSA-N 2 1 399.543 1.391 20 0 GDADMP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000567241199 650894631 /nfs/dbraw/zinc/89/46/31/650894631.db2.gz RRWCOZOXVXQNNW-AWEZNQCLSA-N 2 1 386.949 1.215 20 0 GDADMP CC(C)S(=O)(=O)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000178230499 644922844 /nfs/dbraw/zinc/92/28/44/644922844.db2.gz ANZJOMAUANDMPO-UHFFFAOYSA-N 2 1 375.579 1.226 20 0 GDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000323965244 645259069 /nfs/dbraw/zinc/25/90/69/645259069.db2.gz HHBLOBYVVMOTCV-DZGCQCFKSA-N 2 1 381.318 1.924 20 0 GDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ncccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000323965244 645259073 /nfs/dbraw/zinc/25/90/73/645259073.db2.gz HHBLOBYVVMOTCV-DZGCQCFKSA-N 2 1 381.318 1.924 20 0 GDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000423100532 646113850 /nfs/dbraw/zinc/11/38/50/646113850.db2.gz GZWZNVLTAGTRHV-TZMCWYRMSA-N 2 1 390.347 1.705 20 0 GDADMP O=C([C@@H]1CCC[N@H+](Cc2cc(O)ccc2Br)C1)N1CC[NH2+]CC1 ZINC000469996686 647719206 /nfs/dbraw/zinc/71/92/06/647719206.db2.gz PYKHIDIEEDQYTB-CYBMUJFWSA-N 2 1 382.302 1.799 20 0 GDADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000470177957 647721165 /nfs/dbraw/zinc/72/11/65/647721165.db2.gz GTKFBWHZNOZGQP-ZDUSSCGKSA-N 2 1 386.338 1.566 20 0 GDADMP CCN(C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000522548816 648678201 /nfs/dbraw/zinc/67/82/01/648678201.db2.gz MQICYFRREXAXDX-XHSDSOJGSA-N 2 1 375.579 1.367 20 0 GDADMP CC1(C)C[NH2+]CCN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595924516 652427150 /nfs/dbraw/zinc/42/71/50/652427150.db2.gz LRFBYOWRXFRWMD-UHFFFAOYSA-N 2 1 391.278 1.780 20 0 GDADMP C[C@H](CNC(=O)c1sc2c(c1I)C[NH2+]C2)[NH+](C)C ZINC000595944441 652428494 /nfs/dbraw/zinc/42/84/94/652428494.db2.gz UPJUJPQNDLDHCO-SSDOTTSWSA-N 2 1 379.267 1.636 20 0 GDADMP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000629535957 653169961 /nfs/dbraw/zinc/16/99/61/653169961.db2.gz GXKMMOIMYDOQJG-RDJZCZTQSA-N 2 1 393.329 1.682 20 0 GDADMP CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000631977246 653283726 /nfs/dbraw/zinc/28/37/26/653283726.db2.gz NDGOWPHGYABJNO-ROUUACIJSA-N 2 1 375.579 1.529 20 0 GDADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291517 654402678 /nfs/dbraw/zinc/40/26/78/654402678.db2.gz DEHSSIZPKOKZAI-JTQLQIEISA-N 2 1 394.273 1.910 20 0 GDADMP CC(C)[N@H+](C)CC1CC[NH+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000808717690 655113702 /nfs/dbraw/zinc/11/37/02/655113702.db2.gz LAMWLDALGYXRKY-UHFFFAOYSA-N 2 1 376.563 1.795 20 0 GDADMP CC(C)[N@@H+](C)CC1CC[NH+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000808717690 655113709 /nfs/dbraw/zinc/11/37/09/655113709.db2.gz LAMWLDALGYXRKY-UHFFFAOYSA-N 2 1 376.563 1.795 20 0 GDADMP O=S(=O)(C(F)F)N1CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000848535441 655496483 /nfs/dbraw/zinc/49/64/83/655496483.db2.gz ZJQATOJEJXYHFY-HNNXBMFYSA-N 2 1 381.489 1.094 20 0 GDADMP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000851763319 655593733 /nfs/dbraw/zinc/59/37/33/655593733.db2.gz PAATTYBEPYNIRI-DLBZAZTESA-N 2 1 377.466 1.673 20 0 GDADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925439943 656712602 /nfs/dbraw/zinc/71/26/02/656712602.db2.gz PJCZUTZCLJJGMO-BBWFWOEESA-N 2 1 375.579 1.526 20 0 GDADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H](CO)c1cccc(Br)c1 ZINC000878328110 656719031 /nfs/dbraw/zinc/71/90/31/656719031.db2.gz AUIDHLVDVDTNLG-MRXNPFEDSA-N 2 1 384.318 1.625 20 0 GDADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H](CO)c1cccc(Br)c1 ZINC000878328110 656719032 /nfs/dbraw/zinc/71/90/32/656719032.db2.gz AUIDHLVDVDTNLG-MRXNPFEDSA-N 2 1 384.318 1.625 20 0 GDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2I)C1 ZINC000911821392 660019111 /nfs/dbraw/zinc/01/91/11/660019111.db2.gz GKHVTKZMWWAUPA-MISXGVKJSA-N 2 1 387.265 1.877 20 0 GDADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)c2c1C ZINC001164401811 718853286 /nfs/dbraw/zinc/85/32/86/718853286.db2.gz CZPTURFQCRLACY-MGPUTAFESA-N 2 1 387.553 1.922 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)cc(C)[nH+]3)CC[C@@H]2C1 ZINC001164847946 720830749 /nfs/dbraw/zinc/83/07/49/720830749.db2.gz LDNOBSSFMIGEAA-QZTJIDSGSA-N 2 1 375.517 1.559 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCCC4)[nH+]c(C)n3)CC[C@H]2C1 ZINC001164854277 720836908 /nfs/dbraw/zinc/83/69/08/720836908.db2.gz QYMFQYRHEQLZGB-ZWKOTPCHSA-N 2 1 375.517 1.559 20 0 GDADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCCC4)nc(C)[nH+]3)CC[C@H]2C1 ZINC001164854277 720836911 /nfs/dbraw/zinc/83/69/11/720836911.db2.gz QYMFQYRHEQLZGB-ZWKOTPCHSA-N 2 1 375.517 1.559 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCCC4)nc(C)[nH+]3)CC[C@H]2C1 ZINC001164854277 720836913 /nfs/dbraw/zinc/83/69/13/720836913.db2.gz QYMFQYRHEQLZGB-ZWKOTPCHSA-N 2 1 375.517 1.559 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)C[C@@H]3C2)cn1 ZINC001164765769 721180709 /nfs/dbraw/zinc/18/07/09/721180709.db2.gz IGFFGAIXZMIRIM-OALUTQOASA-N 3 1 395.555 1.701 20 0 GDADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cccc(N5CCC([NH3+])CC5)n4)C[C@@H]3C2)cn1 ZINC001164765769 721180713 /nfs/dbraw/zinc/18/07/13/721180713.db2.gz IGFFGAIXZMIRIM-OALUTQOASA-N 2 1 395.555 1.701 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(N5CCC([NH3+])CC5)n4)C[C@@H]3C2)cn1 ZINC001164765769 721180727 /nfs/dbraw/zinc/18/07/27/721180727.db2.gz IGFFGAIXZMIRIM-OALUTQOASA-N 2 1 395.555 1.701 20 0 GDADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc[nH+]c(N)n1)CC2 ZINC001164784853 721464254 /nfs/dbraw/zinc/46/42/54/721464254.db2.gz KNILVMXCVCULEF-KRWDZBQOSA-N 2 1 375.517 1.793 20 0 GDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc[nH+]c(N)n1)CC2 ZINC001164784853 721464255 /nfs/dbraw/zinc/46/42/55/721464255.db2.gz KNILVMXCVCULEF-KRWDZBQOSA-N 2 1 375.517 1.793 20 0 GDADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164896938 721519958 /nfs/dbraw/zinc/51/99/58/721519958.db2.gz CSCJVBQKYHKKRU-HKUYNNGSSA-N 2 1 398.486 1.367 20 0 GDADMP Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1C1C[NH2+]C1 ZINC001164801166 721592042 /nfs/dbraw/zinc/59/20/42/721592042.db2.gz DVANARDHSFSBSB-DYXWJJEUSA-N 2 1 394.523 1.735 20 0 GDADMP Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1C1C[NH2+]C1 ZINC001164801166 721592044 /nfs/dbraw/zinc/59/20/44/721592044.db2.gz DVANARDHSFSBSB-DYXWJJEUSA-N 2 1 394.523 1.735 20 0 GDADMP CCN(C)c1cc(C)[nH+]c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164997078 722228595 /nfs/dbraw/zinc/22/85/95/722228595.db2.gz OHLPQUBJPSFGMI-UHFFFAOYSA-N 2 1 396.543 1.388 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282116 945828962 /nfs/dbraw/zinc/82/89/62/945828962.db2.gz DBCJSUWRBXCYJO-GOEBONIOSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571294732 946142936 /nfs/dbraw/zinc/14/29/36/946142936.db2.gz LIOVBDDEJINFPD-ZFWWWQNUSA-N 2 1 389.529 1.493 20 0 GDADMP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCCO[C@H]2CCOC2)CC1 ZINC000826514103 948438455 /nfs/dbraw/zinc/43/84/55/948438455.db2.gz HNZQLTCBIVPDJB-IBGZPJMESA-N 2 1 386.500 1.616 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575873311 949578923 /nfs/dbraw/zinc/57/89/23/949578923.db2.gz BFKDRAOQYXOODB-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575874012 949600552 /nfs/dbraw/zinc/60/05/52/949600552.db2.gz DKCCZCSUAMJACA-MAUKXSAKSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575877212 949659489 /nfs/dbraw/zinc/65/94/89/949659489.db2.gz LBARLXZONMRCDM-QAPCUYQASA-N 2 1 383.500 1.432 20 0 GDADMP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575274117 949677942 /nfs/dbraw/zinc/67/79/42/949677942.db2.gz YUPCKWRBFRPWGX-CYBMUJFWSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574717751 949740483 /nfs/dbraw/zinc/74/04/83/949740483.db2.gz XBGMRPBWVLMYHH-OLZOCXBDSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574723952 949863325 /nfs/dbraw/zinc/86/33/25/949863325.db2.gz CHBRLRRLGDZEGX-HNNXBMFYSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196413 950361774 /nfs/dbraw/zinc/36/17/74/950361774.db2.gz CREGGCWYRNUNEJ-MRXNPFEDSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196413 950361791 /nfs/dbraw/zinc/36/17/91/950361791.db2.gz CREGGCWYRNUNEJ-MRXNPFEDSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196413 950361809 /nfs/dbraw/zinc/36/18/09/950361809.db2.gz CREGGCWYRNUNEJ-MRXNPFEDSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576196897 950373745 /nfs/dbraw/zinc/37/37/45/950373745.db2.gz IOPCPEHSXYQRRP-CQSZACIVSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576196897 950373768 /nfs/dbraw/zinc/37/37/68/950373768.db2.gz IOPCPEHSXYQRRP-CQSZACIVSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576196897 950373780 /nfs/dbraw/zinc/37/37/80/950373780.db2.gz IOPCPEHSXYQRRP-CQSZACIVSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576196897 950373800 /nfs/dbraw/zinc/37/38/00/950373800.db2.gz IOPCPEHSXYQRRP-CQSZACIVSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576202564 950429629 /nfs/dbraw/zinc/42/96/29/950429629.db2.gz BBVBBXWCYVGVDH-KSSFIOAISA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205855 950545619 /nfs/dbraw/zinc/54/56/19/950545619.db2.gz QMWKTTNKMMHTHB-IBUXWKBASA-N 2 1 375.502 1.032 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576206109 950561144 /nfs/dbraw/zinc/56/11/44/950561144.db2.gz URROBHMBYYOOQI-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576206109 950561162 /nfs/dbraw/zinc/56/11/62/950561162.db2.gz URROBHMBYYOOQI-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576206109 950561171 /nfs/dbraw/zinc/56/11/71/950561171.db2.gz URROBHMBYYOOQI-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574771827 950942302 /nfs/dbraw/zinc/94/23/02/950942302.db2.gz KWPNQYYAYCRWQS-CYBMUJFWSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574773675 950988744 /nfs/dbraw/zinc/98/87/44/950988744.db2.gz YDGUNWLQYODQKP-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575077820 951674843 /nfs/dbraw/zinc/67/48/43/951674843.db2.gz ICVAHIISBNMWCA-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079067 951687537 /nfs/dbraw/zinc/68/75/37/951687537.db2.gz PFZRTHWPXACITQ-ZDUSSCGKSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079362 951690509 /nfs/dbraw/zinc/69/05/09/951690509.db2.gz DCDBDUXNAXMSBZ-DZGCQCFKSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575090615 951761747 /nfs/dbraw/zinc/76/17/47/951761747.db2.gz KWAUANZIUJHIAJ-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575091644 951780651 /nfs/dbraw/zinc/78/06/51/951780651.db2.gz TUMZPBIJUJNCTO-HIFRSBDPSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575091899 951785751 /nfs/dbraw/zinc/78/57/51/951785751.db2.gz YKNWGIZTDPTORO-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575098077 951819823 /nfs/dbraw/zinc/81/98/23/951819823.db2.gz AGSXYDCXFHWMCG-JSGCOSHPSA-N 2 1 377.518 1.349 20 0 GDADMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099802 951839796 /nfs/dbraw/zinc/83/97/96/951839796.db2.gz OVHCXRVFEJEOQK-KBPBESRZSA-N 2 1 391.545 1.645 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114109 951952266 /nfs/dbraw/zinc/95/22/66/951952266.db2.gz MWIPRZNVJWHZLX-HNNXBMFYSA-N 2 1 387.532 1.687 20 0 GDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(N4CCOCC4)s3)C2)[C@@H]1C(C)C ZINC000922394508 1126135246 /nfs/dbraw/zinc/13/52/46/1126135246.db2.gz WWLMJSKGUUCQOJ-FTEYMNFISA-N 2 1 394.585 1.939 20 0 GDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000484912395 531427150 /nfs/dbraw/zinc/42/71/50/531427150.db2.gz FCSKPCPFVDZSBD-QWHCGFSZSA-N 2 1 386.327 1.706 20 0 GDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000484912395 531427153 /nfs/dbraw/zinc/42/71/53/531427153.db2.gz FCSKPCPFVDZSBD-QWHCGFSZSA-N 2 1 386.327 1.706 20 0 GDADMP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000415297054 531472528 /nfs/dbraw/zinc/47/25/28/531472528.db2.gz JLKGEXLQBCLUPL-ZDUSSCGKSA-N 2 1 383.290 1.270 20 0 GDADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415428552 531484701 /nfs/dbraw/zinc/48/47/01/531484701.db2.gz ACYSXVAGGHGVMC-CQSZACIVSA-N 2 1 385.306 1.549 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1Br ZINC000659103900 531541459 /nfs/dbraw/zinc/54/14/59/531541459.db2.gz FQGZFYJNFIXURK-UHFFFAOYSA-N 2 1 395.301 1.317 20 0 GDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000638136518 531645179 /nfs/dbraw/zinc/64/51/79/531645179.db2.gz ZFWDUNKENSYSCO-HNNXBMFYSA-N 2 1 389.949 1.920 20 0 GDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000638136518 531645187 /nfs/dbraw/zinc/64/51/87/531645187.db2.gz ZFWDUNKENSYSCO-HNNXBMFYSA-N 2 1 389.949 1.920 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000561036845 531676249 /nfs/dbraw/zinc/67/62/49/531676249.db2.gz DEKABIDFLNXYFY-CQSZACIVSA-N 2 1 397.321 1.455 20 0 GDADMP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178565 531685866 /nfs/dbraw/zinc/68/58/66/531685866.db2.gz MKQAGEOFLJAJQM-RISCZKNCSA-N 2 1 390.347 1.869 20 0 GDADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178565 531685871 /nfs/dbraw/zinc/68/58/71/531685871.db2.gz MKQAGEOFLJAJQM-RISCZKNCSA-N 2 1 390.347 1.869 20 0 GDADMP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)C2)CC1 ZINC000595930401 531894153 /nfs/dbraw/zinc/89/41/53/531894153.db2.gz VTZCNMDOLSGBSQ-YOEHRIQHSA-N 2 1 395.345 1.687 20 0 GDADMP C[C@@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)[C@@H](C)C[NH2+]1 ZINC000595948357 531894768 /nfs/dbraw/zinc/89/47/68/531894768.db2.gz QVZMXEKBCRHHJJ-SFYZADRCSA-N 2 1 391.278 1.778 20 0 GDADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595963519 531899783 /nfs/dbraw/zinc/89/97/83/531899783.db2.gz MCLGDZJRERCUHT-RQJHMYQMSA-N 2 1 379.267 1.812 20 0 GDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000428236311 532200779 /nfs/dbraw/zinc/20/07/79/532200779.db2.gz KAXCKQUTKPJERF-GOEBONIOSA-N 2 1 386.334 1.826 20 0 GDADMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820129325 607325315 /nfs/dbraw/zinc/32/53/15/607325315.db2.gz ZJIOHVUTNSXVQE-FQEVSTJZSA-N 2 1 399.543 1.391 20 0 GDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820684196 606891257 /nfs/dbraw/zinc/89/12/57/606891257.db2.gz MZIDCBPRHHOSOF-MBOZVWFJSA-N 2 1 399.543 1.391 20 0 GDADMP O[C@H](CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)COc1ccc(Br)cc1 ZINC000320755601 645254052 /nfs/dbraw/zinc/25/40/52/645254052.db2.gz IVKZSDHFWFHIAE-ZMSDIMECSA-N 2 1 385.302 1.642 20 0 GDADMP O[C@H](CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1)COc1ccc(Br)cc1 ZINC000320755601 645254057 /nfs/dbraw/zinc/25/40/57/645254057.db2.gz IVKZSDHFWFHIAE-ZMSDIMECSA-N 2 1 385.302 1.642 20 0 GDADMP C[N@H+](CCOc1ccc(Br)cc1)CCC(=O)N1CC[NH+](C)CC1 ZINC000513966514 648448336 /nfs/dbraw/zinc/44/83/36/648448336.db2.gz SEWUKWWXFMHGAG-UHFFFAOYSA-N 2 1 384.318 1.924 20 0 GDADMP C[N@@H+](CCOc1ccc(Br)cc1)CCC(=O)N1CC[NH+](C)CC1 ZINC000513966514 648448342 /nfs/dbraw/zinc/44/83/42/648448342.db2.gz SEWUKWWXFMHGAG-UHFFFAOYSA-N 2 1 384.318 1.924 20 0 GDADMP [NH3+][C@H]1CCC[C@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595952129 652429542 /nfs/dbraw/zinc/42/95/42/652429542.db2.gz XLZNKVYCSAZYMN-YUMQZZPRSA-N 2 1 391.278 1.956 20 0 GDADMP CC1(C)[NH2+]CC[C@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595952663 652429813 /nfs/dbraw/zinc/42/98/13/652429813.db2.gz RRGBSMRMHWPASV-SECBINFHSA-N 2 1 391.278 1.826 20 0 GDADMP C[N@H+]1CCC[C@H](CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000602473654 652638959 /nfs/dbraw/zinc/63/89/59/652638959.db2.gz CBWNZRDTDOCZDH-MJBQAUCRSA-N 2 1 383.583 1.748 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC000661576116 654275876 /nfs/dbraw/zinc/27/58/76/654275876.db2.gz FOHANHMNBJNONV-UHFFFAOYSA-N 2 1 395.345 1.735 20 0 GDADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290949 654402759 /nfs/dbraw/zinc/40/27/59/654402759.db2.gz PNDJNSPGENNTLF-SNVBAGLBSA-N 2 1 394.273 1.910 20 0 GDADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CN1CC[NH+](C)CC1 ZINC000673650265 654580277 /nfs/dbraw/zinc/58/02/77/654580277.db2.gz KJOQPELRYOBQNV-UHFFFAOYSA-N 2 1 397.361 1.587 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(Br)nc2n1CCC2 ZINC000855346295 655692509 /nfs/dbraw/zinc/69/25/09/655692509.db2.gz VMRQPFPEXBZLGE-LBPRGKRZSA-N 2 1 386.338 1.594 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(Br)nc2n1CCC2 ZINC000855346295 655692510 /nfs/dbraw/zinc/69/25/10/655692510.db2.gz VMRQPFPEXBZLGE-LBPRGKRZSA-N 2 1 386.338 1.594 20 0 GDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@@H]1C[NH3+] ZINC000923383012 656547887 /nfs/dbraw/zinc/54/78/87/656547887.db2.gz PACWRYOYQROGHE-UGUYLWEFSA-N 2 1 375.579 1.293 20 0 GDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@H]1C[NH3+] ZINC000923383009 656547955 /nfs/dbraw/zinc/54/79/55/656547955.db2.gz PACWRYOYQROGHE-QXSJWSMHSA-N 2 1 375.579 1.293 20 0 GDADMP C[N@@H+](CCOCC[NH3+])C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923403323 656549553 /nfs/dbraw/zinc/54/95/53/656549553.db2.gz PNNHFYRGUXCQEK-GFCCVEGCSA-N 2 1 381.698 1.749 20 0 GDADMP [NH3+]C[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@H]1C(F)(F)F ZINC000891411676 658237026 /nfs/dbraw/zinc/23/70/26/658237026.db2.gz ONRFSVSUGHCABA-CHWSQXEVSA-N 2 1 376.448 1.885 20 0 GDADMP [NH3+]C[C@@H]1CN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@H]1C(F)(F)F ZINC000891411676 658237032 /nfs/dbraw/zinc/23/70/32/658237032.db2.gz ONRFSVSUGHCABA-CHWSQXEVSA-N 2 1 376.448 1.885 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000909260989 659944234 /nfs/dbraw/zinc/94/42/34/659944234.db2.gz DEMGWZREKXNYOI-UHFFFAOYSA-N 2 1 394.317 1.630 20 0 GDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2I)C1 ZINC000911821391 660018927 /nfs/dbraw/zinc/01/89/27/660018927.db2.gz GKHVTKZMWWAUPA-COPLHBTASA-N 2 1 387.265 1.877 20 0 GDADMP Cc1cc(Cl)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C(N)=O ZINC001164683005 719605366 /nfs/dbraw/zinc/60/53/66/719605366.db2.gz GXRDSLRPKZRKID-UHFFFAOYSA-N 2 1 376.892 1.814 20 0 GDADMP Cc1cc(Cl)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C(N)=O ZINC001164683005 719605371 /nfs/dbraw/zinc/60/53/71/719605371.db2.gz GXRDSLRPKZRKID-UHFFFAOYSA-N 2 1 376.892 1.814 20 0 GDADMP Cc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164738714 720628410 /nfs/dbraw/zinc/62/84/10/720628410.db2.gz DEBYRCLFZBWHAK-IAGOWNOFSA-N 2 1 381.484 1.517 20 0 GDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164745835 720743504 /nfs/dbraw/zinc/74/35/04/720743504.db2.gz WALUQFWEQCFGSR-MSOLQXFVSA-N 2 1 395.511 1.141 20 0 GDADMP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164745835 720743517 /nfs/dbraw/zinc/74/35/17/720743517.db2.gz WALUQFWEQCFGSR-MSOLQXFVSA-N 3 1 395.511 1.141 20 0 GDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164745835 720743529 /nfs/dbraw/zinc/74/35/29/720743529.db2.gz WALUQFWEQCFGSR-MSOLQXFVSA-N 3 1 395.511 1.141 20 0 GDADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164908747 721537316 /nfs/dbraw/zinc/53/73/16/721537316.db2.gz QLKAGSOUWJAZCA-IEBWSBKVSA-N 2 1 398.486 1.367 20 0 GDADMP O=C1COc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2N1 ZINC001164983637 722120642 /nfs/dbraw/zinc/12/06/42/722120642.db2.gz YRXVXPOGCMUIMK-WMZOPIPTSA-N 2 1 395.463 1.535 20 0 GDADMP O=C1COc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2N1 ZINC001164983637 722120644 /nfs/dbraw/zinc/12/06/44/722120644.db2.gz YRXVXPOGCMUIMK-WMZOPIPTSA-N 2 1 395.463 1.535 20 0 GDADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735856937 944706871 /nfs/dbraw/zinc/70/68/71/944706871.db2.gz MCAVJURAVBUQGM-UHFFFAOYSA-N 2 1 385.516 1.535 20 0 GDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735857554 944707021 /nfs/dbraw/zinc/70/70/21/944707021.db2.gz VCSUNGXAJKRJQB-SFHVURJKSA-N 2 1 388.516 1.659 20 0 GDADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001571266055 945529766 /nfs/dbraw/zinc/52/97/66/945529766.db2.gz VDCFWDUESHAFBL-MSOLQXFVSA-N 2 1 385.516 1.630 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571282861 945866086 /nfs/dbraw/zinc/86/60/86/945866086.db2.gz SYUKVHVAAJNZSO-HOTGVXAUSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824974728 947014978 /nfs/dbraw/zinc/01/49/78/947014978.db2.gz DZBMSMXRUSTAFF-MGPUTAFESA-N 2 1 381.528 1.903 20 0 GDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824974728 947014984 /nfs/dbraw/zinc/01/49/84/947014984.db2.gz DZBMSMXRUSTAFF-MGPUTAFESA-N 2 1 381.528 1.903 20 0 GDADMP C[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573713996 948469180 /nfs/dbraw/zinc/46/91/80/948469180.db2.gz COUGJXKQXSIDRP-MRXNPFEDSA-N 2 1 385.516 1.679 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574925989 948980252 /nfs/dbraw/zinc/98/02/52/948980252.db2.gz FVJQAYFECQAZSE-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574925989 948980266 /nfs/dbraw/zinc/98/02/66/948980266.db2.gz FVJQAYFECQAZSE-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574925989 948980280 /nfs/dbraw/zinc/98/02/80/948980280.db2.gz FVJQAYFECQAZSE-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574925989 948980294 /nfs/dbraw/zinc/98/02/94/948980294.db2.gz FVJQAYFECQAZSE-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574926114 948987847 /nfs/dbraw/zinc/98/78/47/948987847.db2.gz ISYFENHCBDEXJB-GFCCVEGCSA-N 2 1 379.534 1.500 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574926788 949023498 /nfs/dbraw/zinc/02/34/98/949023498.db2.gz XMWSICPONPEPGP-CYBMUJFWSA-N 2 1 391.495 1.578 20 0 GDADMP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575872381 949545102 /nfs/dbraw/zinc/54/51/02/949545102.db2.gz IRQBWJAYAYEXTH-DZGCQCFKSA-N 2 1 384.488 1.077 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576191033 950178784 /nfs/dbraw/zinc/17/87/84/950178784.db2.gz CPYMRUJFNVMPRI-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576192828 950266209 /nfs/dbraw/zinc/26/62/09/950266209.db2.gz PSNXRMXQPKNHFH-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576199493 950426072 /nfs/dbraw/zinc/42/60/72/950426072.db2.gz ZRRVUIUGNIFBCL-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204027 950453441 /nfs/dbraw/zinc/45/34/41/950453441.db2.gz KANZNVZPTFQOAS-INIZCTEOSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204029 950454622 /nfs/dbraw/zinc/45/46/22/950454622.db2.gz KANZNVZPTFQOAS-MRXNPFEDSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204822 950478687 /nfs/dbraw/zinc/47/86/87/950478687.db2.gz CTOLIFRAPZEBAB-STQMWFEESA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204822 950478699 /nfs/dbraw/zinc/47/86/99/950478699.db2.gz CTOLIFRAPZEBAB-STQMWFEESA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204822 950478712 /nfs/dbraw/zinc/47/87/12/950478712.db2.gz CTOLIFRAPZEBAB-STQMWFEESA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001576205196 950502274 /nfs/dbraw/zinc/50/22/74/950502274.db2.gz GZDNTIBYBLWVBJ-ZDUSSCGKSA-N 2 1 387.463 1.086 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576205785 950537037 /nfs/dbraw/zinc/53/70/37/950537037.db2.gz PHLSFRMQBJHQAQ-GFCCVEGCSA-N 2 1 375.502 1.008 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576206850 950585147 /nfs/dbraw/zinc/58/51/47/950585147.db2.gz ZGMHSYQIHGWSSA-RDTXWAMCSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001575099054 951831008 /nfs/dbraw/zinc/83/10/08/951831008.db2.gz HXPKIVUBZRGFBB-LBPRGKRZSA-N 2 1 377.518 1.349 20 0 GDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234052 953198631 /nfs/dbraw/zinc/19/86/31/953198631.db2.gz LXYWINCXPMBAPE-SFHVURJKSA-N 2 1 383.500 1.288 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235070 953208445 /nfs/dbraw/zinc/20/84/45/953208445.db2.gz RSCRNXPYFYGLSR-SJORKVTESA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571235144 953209007 /nfs/dbraw/zinc/20/90/07/953209007.db2.gz UZCNTKHZTWAXMB-BFYDXBDKSA-N 2 1 383.500 1.193 20 0 GDADMP C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(I)cc2)CC1 ZINC000177283687 530700310 /nfs/dbraw/zinc/70/03/10/530700310.db2.gz BLCCKXIXHKLGNT-CQSZACIVSA-N 2 1 390.265 1.715 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000261607131 531093212 /nfs/dbraw/zinc/09/32/12/531093212.db2.gz CXIKYOKLLDNIOH-GFCCVEGCSA-N 2 1 398.301 1.507 20 0 GDADMP C[N@@H+]1CC[C@H](C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000519687196 531218019 /nfs/dbraw/zinc/21/80/19/531218019.db2.gz PIKMFQWTMRGNHJ-LBPRGKRZSA-N 2 1 382.306 1.486 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000519687196 531218023 /nfs/dbraw/zinc/21/80/23/531218023.db2.gz PIKMFQWTMRGNHJ-LBPRGKRZSA-N 2 1 382.306 1.486 20 0 GDADMP COc1cc(C[N@H+](C)C[C@H](O)C[NH3+])cc(I)c1OC ZINC000415067228 531466032 /nfs/dbraw/zinc/46/60/32/531466032.db2.gz KCXFTTGZDYQGHA-SNVBAGLBSA-N 2 1 380.226 1.060 20 0 GDADMP COc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])cc(I)c1OC ZINC000415067228 531466036 /nfs/dbraw/zinc/46/60/36/531466036.db2.gz KCXFTTGZDYQGHA-SNVBAGLBSA-N 2 1 380.226 1.060 20 0 GDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000559913115 531612914 /nfs/dbraw/zinc/61/29/14/531612914.db2.gz DIZQQDFIUNYVDN-CQSZACIVSA-N 2 1 385.350 1.615 20 0 GDADMP C[NH2+][C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662405211 531675263 /nfs/dbraw/zinc/67/52/63/531675263.db2.gz MALCCMHIDOXTFS-IAQYHMDHSA-N 2 1 387.311 1.567 20 0 GDADMP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC12CCOCC2 ZINC000662570173 531690327 /nfs/dbraw/zinc/69/03/27/531690327.db2.gz HIRHFAAPQHQJEY-SWLSCSKDSA-N 2 1 382.302 1.663 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(Br)cn1 ZINC000505790391 531725356 /nfs/dbraw/zinc/72/53/56/531725356.db2.gz QMBUKFBACXEROH-HNNXBMFYSA-N 2 1 386.338 1.520 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000569083783 531918328 /nfs/dbraw/zinc/91/83/28/531918328.db2.gz WLGRZWDIDDCWKL-CYBMUJFWSA-N 2 1 397.321 1.551 20 0 GDADMP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000359866689 206264966 /nfs/dbraw/zinc/26/49/66/206264966.db2.gz ITNIKDCSUGTGRP-LJQANCHMSA-N 2 1 375.517 1.276 20 0 GDADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735857309 598525616 /nfs/dbraw/zinc/52/56/16/598525616.db2.gz SXWISQPCYUCLNF-QGZVFWFLSA-N 2 1 395.515 1.735 20 0 GDADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C2 ZINC000738450675 598569380 /nfs/dbraw/zinc/56/93/80/598569380.db2.gz UKGUYHHTVZNKNL-IRXDYDNUSA-N 2 1 399.547 1.739 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000822505935 607003398 /nfs/dbraw/zinc/00/33/98/607003398.db2.gz ZJOBYIBMKDCXBD-QZTJIDSGSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000822505935 607003400 /nfs/dbraw/zinc/00/34/00/607003400.db2.gz ZJOBYIBMKDCXBD-QZTJIDSGSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000822505935 607003402 /nfs/dbraw/zinc/00/34/02/607003402.db2.gz ZJOBYIBMKDCXBD-QZTJIDSGSA-N 2 1 393.499 1.807 20 0 GDADMP C[C@H]1C[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824984161 608170960 /nfs/dbraw/zinc/17/09/60/608170960.db2.gz HDEGBPPTYHQKIE-PXNSSMCTSA-N 2 1 399.543 1.593 20 0 GDADMP COCC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826157716 609337092 /nfs/dbraw/zinc/33/70/92/609337092.db2.gz IGGIOPQKHRUADE-UHFFFAOYSA-N 2 1 384.488 1.325 20 0 GDADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000826507229 609381553 /nfs/dbraw/zinc/38/15/53/609381553.db2.gz KUTDWNPYXBPXGS-SFHVURJKSA-N 2 1 382.443 1.862 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000566117658 650828541 /nfs/dbraw/zinc/82/85/41/650828541.db2.gz TXCGAWVYFHFLHL-AWEZNQCLSA-N 2 1 390.311 1.487 20 0 GDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000423100531 646113778 /nfs/dbraw/zinc/11/37/78/646113778.db2.gz GZWZNVLTAGTRHV-OCCSQVGLSA-N 2 1 390.347 1.705 20 0 GDADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000515434914 648496255 /nfs/dbraw/zinc/49/62/55/648496255.db2.gz QDUIAXRNFDCYLP-WCQYABFASA-N 2 1 399.264 1.161 20 0 GDADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000515434914 648496260 /nfs/dbraw/zinc/49/62/60/648496260.db2.gz QDUIAXRNFDCYLP-WCQYABFASA-N 2 1 399.264 1.161 20 0 GDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301721 651987503 /nfs/dbraw/zinc/98/75/03/651987503.db2.gz RPWLEXJVYHLSSZ-MLGOLLRUSA-N 2 1 389.309 1.784 20 0 GDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301721 651987504 /nfs/dbraw/zinc/98/75/04/651987504.db2.gz RPWLEXJVYHLSSZ-MLGOLLRUSA-N 2 1 389.309 1.784 20 0 GDADMP O=C(NC[C@@H]1CCCC[NH2+]1)c1sc2c(c1I)C[NH2+]C2 ZINC000595920316 652426998 /nfs/dbraw/zinc/42/69/98/652426998.db2.gz RCALXZAVIZTSQP-QMMMGPOBSA-N 2 1 391.278 1.828 20 0 GDADMP C[NH2+]C[C@H]1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595925093 652427132 /nfs/dbraw/zinc/42/71/32/652427132.db2.gz UVVOONHLCANDPH-MRVPVSSYSA-N 2 1 391.278 1.637 20 0 GDADMP [NH3+][C@@H]1CCC[C@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595952128 652429390 /nfs/dbraw/zinc/42/93/90/652429390.db2.gz XLZNKVYCSAZYMN-SFYZADRCSA-N 2 1 391.278 1.956 20 0 GDADMP C[S@](=O)C1(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC[NH2+]CC1 ZINC000602476356 652638975 /nfs/dbraw/zinc/63/89/75/652638975.db2.gz ODWIIKPAAXEIBQ-VWLOTQADSA-N 2 1 387.615 1.355 20 0 GDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccncc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000629516425 653168254 /nfs/dbraw/zinc/16/82/54/653168254.db2.gz FIPKYCAXVUGZOP-CZUORRHYSA-N 2 1 381.318 1.924 20 0 GDADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccncc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000629516425 653168255 /nfs/dbraw/zinc/16/82/55/653168255.db2.gz FIPKYCAXVUGZOP-CZUORRHYSA-N 2 1 381.318 1.924 20 0 GDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000629569655 653173201 /nfs/dbraw/zinc/17/32/01/653173201.db2.gz QRYSFAHTJMQRGE-AWEZNQCLSA-N 2 1 386.334 1.964 20 0 GDADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638359308 653538727 /nfs/dbraw/zinc/53/87/27/653538727.db2.gz JJOVCIZFSUIGKD-UHFFFAOYSA-N 2 1 395.349 1.999 20 0 GDADMP Cc1nccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1Br ZINC000666836180 654439142 /nfs/dbraw/zinc/43/91/42/654439142.db2.gz HBBJPVFCUGGKLU-LBPRGKRZSA-N 2 1 386.338 1.968 20 0 GDADMP Cc1nccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1Br ZINC000666836180 654439147 /nfs/dbraw/zinc/43/91/47/654439147.db2.gz HBBJPVFCUGGKLU-LBPRGKRZSA-N 2 1 386.338 1.968 20 0 GDADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817952133 655362943 /nfs/dbraw/zinc/36/29/43/655362943.db2.gz CEPALEGIZPPISW-CQSZACIVSA-N 2 1 391.559 1.451 20 0 GDADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CCCO1 ZINC000923379013 656547474 /nfs/dbraw/zinc/54/74/74/656547474.db2.gz MWIWPJZBJHRSDQ-OLZOCXBDSA-N 2 1 393.709 1.892 20 0 GDADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CCCO1 ZINC000923379013 656547476 /nfs/dbraw/zinc/54/74/76/656547476.db2.gz MWIWPJZBJHRSDQ-OLZOCXBDSA-N 2 1 393.709 1.892 20 0 GDADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000923377972 656547524 /nfs/dbraw/zinc/54/75/24/656547524.db2.gz FLCJPNAHIUFTIM-UKRRQHHQSA-N 2 1 377.254 1.378 20 0 GDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000923377972 656547529 /nfs/dbraw/zinc/54/75/29/656547529.db2.gz FLCJPNAHIUFTIM-UKRRQHHQSA-N 2 1 377.254 1.378 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H](O)c1cccc(Br)c1)C2 ZINC000923429120 656552149 /nfs/dbraw/zinc/55/21/49/656552149.db2.gz PQMPYEBXDLGOAE-GUSZCTEKSA-N 2 1 383.286 1.695 20 0 GDADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@H]1C[NH+](C)C ZINC000877144601 656656290 /nfs/dbraw/zinc/65/62/90/656656290.db2.gz QKXIIJVZVSZQGQ-CPUCHLNUSA-N 3 1 397.361 1.647 20 0 GDADMP COCC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)CC1CC[NH+](C)CC1 ZINC000879127250 656776123 /nfs/dbraw/zinc/77/61/23/656776123.db2.gz UJOCJPVXIAXFAG-UHFFFAOYSA-N 2 1 389.587 1.789 20 0 GDADMP COCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)CC1CC[NH+](C)CC1 ZINC000879127250 656776127 /nfs/dbraw/zinc/77/61/27/656776127.db2.gz UJOCJPVXIAXFAG-UHFFFAOYSA-N 2 1 389.587 1.789 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc1Br ZINC000927927454 656854709 /nfs/dbraw/zinc/85/47/09/656854709.db2.gz RKDXQBRSRWRARQ-YPMHNXCESA-N 2 1 397.317 1.693 20 0 GDADMP C[NH+](C)CC1(O)CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000931482587 657103056 /nfs/dbraw/zinc/10/30/56/657103056.db2.gz YQONNBKSOLDCST-INIZCTEOSA-N 2 1 396.329 1.943 20 0 GDADMP Cc1[nH+]ccc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1Br ZINC000895166619 658673189 /nfs/dbraw/zinc/67/31/89/658673189.db2.gz QRAQXDZYCLABLZ-OAHLLOKOSA-N 2 1 383.334 1.783 20 0 GDADMP Cc1[nH+]ccc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1Br ZINC000895166619 658673193 /nfs/dbraw/zinc/67/31/93/658673193.db2.gz QRAQXDZYCLABLZ-OAHLLOKOSA-N 2 1 383.334 1.783 20 0 GDADMP Cc1ncsc1CCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562238 659341548 /nfs/dbraw/zinc/34/15/48/659341548.db2.gz ISFPYDILXBAALK-IYBDPMFKSA-N 2 1 384.571 1.224 20 0 GDADMP Cc1ncsc1CCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562238 659341554 /nfs/dbraw/zinc/34/15/54/659341554.db2.gz ISFPYDILXBAALK-IYBDPMFKSA-N 2 1 384.571 1.224 20 0 GDADMP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4cncc(N5CC[NH2+]CC5)n4)[C@@H]3C2)cc1 ZINC001164624339 719081608 /nfs/dbraw/zinc/08/16/08/719081608.db2.gz LHOFGMWYSCLLSU-VQTJNVASSA-N 2 1 378.524 1.987 20 0 GDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001164805869 720070557 /nfs/dbraw/zinc/07/05/57/720070557.db2.gz AHPQAQXALGYYBB-FOIQADDNSA-N 2 1 391.947 1.960 20 0 GDADMP Cn1nnc2c1CCN(c1nc(NC3CC3)cc[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714674 720163732 /nfs/dbraw/zinc/16/37/32/720163732.db2.gz RJQZEBVHUGRLBI-QGZVFWFLSA-N 2 1 398.515 1.396 20 0 GDADMP Cc1cc2c(nc[nH+]c2N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)[nH]1 ZINC001164717638 720175050 /nfs/dbraw/zinc/17/50/50/720175050.db2.gz KXZQOIKSQSKHEX-KRWDZBQOSA-N 2 1 396.499 1.611 20 0 GDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2[nH+]ccc3c2NC(=O)CO3)CC1 ZINC001164830908 720320234 /nfs/dbraw/zinc/32/02/34/720320234.db2.gz QLWISCXKDWNHQZ-HOTGVXAUSA-N 2 1 399.495 1.324 20 0 GDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3CC[NH2+]CC4)CC[C@@H]21 ZINC001164841700 720508228 /nfs/dbraw/zinc/50/82/28/720508228.db2.gz ZPBSUYQHBANQMO-WFXMLNOXSA-N 2 1 395.555 1.739 20 0 GDADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N)[nH+]cn1)CC2 ZINC001164790674 721465165 /nfs/dbraw/zinc/46/51/65/721465165.db2.gz UKJXEHQICUYMLM-KRWDZBQOSA-N 2 1 375.517 1.793 20 0 GDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N)[nH+]cn1)CC2 ZINC001164790674 721465167 /nfs/dbraw/zinc/46/51/67/721465167.db2.gz UKJXEHQICUYMLM-KRWDZBQOSA-N 2 1 375.517 1.793 20 0 GDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821189300 945648418 /nfs/dbraw/zinc/64/84/18/945648418.db2.gz KMZAINLYHPWTJF-QGZVFWFLSA-N 2 1 387.488 1.238 20 0 GDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821189300 945648424 /nfs/dbraw/zinc/64/84/24/945648424.db2.gz KMZAINLYHPWTJF-QGZVFWFLSA-N 2 1 387.488 1.238 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571294574 946138921 /nfs/dbraw/zinc/13/89/21/946138921.db2.gz JDOXPHIKVVATCJ-UONOGXRCSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[N@H+]1C ZINC001571294989 946150711 /nfs/dbraw/zinc/15/07/11/946150711.db2.gz MWSOUDWNLUKRHT-VNHYZAJKSA-N 2 1 389.529 1.301 20 0 GDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571294989 946150715 /nfs/dbraw/zinc/15/07/15/946150715.db2.gz MWSOUDWNLUKRHT-VNHYZAJKSA-N 2 1 389.529 1.301 20 0 GDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571294989 946150723 /nfs/dbraw/zinc/15/07/23/946150723.db2.gz MWSOUDWNLUKRHT-VNHYZAJKSA-N 2 1 389.529 1.301 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574926412 948998360 /nfs/dbraw/zinc/99/83/60/948998360.db2.gz PRKXWBMUUAQBAI-GFCCVEGCSA-N 2 1 375.452 1.084 20 0 GDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574704399 949385207 /nfs/dbraw/zinc/38/52/07/949385207.db2.gz BZDSJZSXJLZHFH-CRAIPNDOSA-N 2 1 385.516 1.676 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574706756 949463027 /nfs/dbraw/zinc/46/30/27/949463027.db2.gz MRGLSIRQMHDVNX-WBMJQRKESA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574709265 949501032 /nfs/dbraw/zinc/50/10/32/949501032.db2.gz YUIIVVPAZGFHBB-WBMJQRKESA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575270436 949587373 /nfs/dbraw/zinc/58/73/73/949587373.db2.gz ZQQIDBYCYKCUDP-GJZGRUSLSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575270765 949601293 /nfs/dbraw/zinc/60/12/93/949601293.db2.gz GBXGTQPYHLBCAW-YJBOKZPZSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575875929 949638243 /nfs/dbraw/zinc/63/82/43/949638243.db2.gz WLTUWYAFXBNWAZ-CZUORRHYSA-N 2 1 384.488 1.077 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574963935 949759830 /nfs/dbraw/zinc/75/98/30/949759830.db2.gz NGUIVLTXZZYCDW-DAYGRLMNSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574963935 949759845 /nfs/dbraw/zinc/75/98/45/949759845.db2.gz NGUIVLTXZZYCDW-DAYGRLMNSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574963935 949759861 /nfs/dbraw/zinc/75/98/61/949759861.db2.gz NGUIVLTXZZYCDW-DAYGRLMNSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574723934 949862539 /nfs/dbraw/zinc/86/25/39/949862539.db2.gz CDONPURKCWNIHT-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574150639 950038067 /nfs/dbraw/zinc/03/80/67/950038067.db2.gz CVVAVAAOWKBUBD-ROUUACIJSA-N 2 1 385.516 1.439 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574153064 950126937 /nfs/dbraw/zinc/12/69/37/950126937.db2.gz MESNYXIHMSOQBH-FUHWJXTLSA-N 2 1 385.516 1.581 20 0 GDADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192243 950234175 /nfs/dbraw/zinc/23/41/75/950234175.db2.gz LCDALJBCOFKICP-WBVHZDCISA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192243 950234202 /nfs/dbraw/zinc/23/42/02/950234202.db2.gz LCDALJBCOFKICP-WBVHZDCISA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192243 950234229 /nfs/dbraw/zinc/23/42/29/950234229.db2.gz LCDALJBCOFKICP-WBVHZDCISA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192243 950234240 /nfs/dbraw/zinc/23/42/40/950234240.db2.gz LCDALJBCOFKICP-WBVHZDCISA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576194284 950336734 /nfs/dbraw/zinc/33/67/34/950336734.db2.gz YQTLUQVDJDDOLF-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CCC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576202818 950434098 /nfs/dbraw/zinc/43/40/98/950434098.db2.gz CDDGWYSXCWUYNT-HOTGVXAUSA-N 2 1 385.516 1.583 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576202903 950439527 /nfs/dbraw/zinc/43/95/27/950439527.db2.gz FFGJOJQMZWUUEM-FOIQADDNSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576202903 950439537 /nfs/dbraw/zinc/43/95/37/950439537.db2.gz FFGJOJQMZWUUEM-FOIQADDNSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576202903 950439551 /nfs/dbraw/zinc/43/95/51/950439551.db2.gz FFGJOJQMZWUUEM-FOIQADDNSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576204977 950486183 /nfs/dbraw/zinc/48/61/83/950486183.db2.gz FCGOSMHJIOBUTB-KBXCAEBGSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576205228 950500969 /nfs/dbraw/zinc/50/09/69/950500969.db2.gz HKZJRKNPDRFPDN-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576205228 950500989 /nfs/dbraw/zinc/50/09/89/950500989.db2.gz HKZJRKNPDRFPDN-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576205228 950501005 /nfs/dbraw/zinc/50/10/05/950501005.db2.gz HKZJRKNPDRFPDN-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576205786 950538983 /nfs/dbraw/zinc/53/89/83/950538983.db2.gz PHLSFRMQBJHQAQ-LBPRGKRZSA-N 2 1 375.502 1.008 20 0 GDADMP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576207386 950596918 /nfs/dbraw/zinc/59/69/18/950596918.db2.gz GTKGEBQIPQILNJ-HDMKZQKVSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576207386 950596936 /nfs/dbraw/zinc/59/69/36/950596936.db2.gz GTKGEBQIPQILNJ-HDMKZQKVSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576207386 950596950 /nfs/dbraw/zinc/59/69/50/950596950.db2.gz GTKGEBQIPQILNJ-HDMKZQKVSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576213615 950637628 /nfs/dbraw/zinc/63/76/28/950637628.db2.gz DPBIHFQHMKISGV-QGPMSJSTSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576213939 950656432 /nfs/dbraw/zinc/65/64/32/950656432.db2.gz LCYWMTLKMXGZCZ-RCBQFDQVSA-N 2 1 387.463 1.084 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574523972 950844343 /nfs/dbraw/zinc/84/43/43/950844343.db2.gz SQXHYCYOEHGFLT-KBPBESRZSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079803 951698309 /nfs/dbraw/zinc/69/83/09/951698309.db2.gz OWMYTKBAYHJFQQ-GUYCJALGSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575089451 951748637 /nfs/dbraw/zinc/74/86/37/951748637.db2.gz FSQYZMNQMBTRAB-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094748 951807021 /nfs/dbraw/zinc/80/70/21/951807021.db2.gz OYYLAMHLYAVFDG-MPGHIAIKSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101162 951856451 /nfs/dbraw/zinc/85/64/51/951856451.db2.gz AMAGIWLVLJSRKW-CXAGYDPISA-N 2 1 389.479 1.332 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234679 953204236 /nfs/dbraw/zinc/20/42/36/953204236.db2.gz FTVZRIDXHQENAK-DLBZAZTESA-N 2 1 383.500 1.147 20 0 GDADMP Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252502 953329818 /nfs/dbraw/zinc/32/98/18/953329818.db2.gz NZISLFLXWAKKQD-GOEBONIOSA-N 2 1 384.488 1.139 20 0 GDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280801518 531542635 /nfs/dbraw/zinc/54/26/35/531542635.db2.gz UVEVFFPTVYFBKP-JTQLQIEISA-N 2 1 387.303 1.952 20 0 GDADMP C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1cc(Br)cn1 ZINC000617502661 531660501 /nfs/dbraw/zinc/66/05/01/531660501.db2.gz XYHHTBFMCLWEGI-UONOGXRCSA-N 2 1 388.354 1.985 20 0 GDADMP C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1cc(Br)cn1 ZINC000617502661 531660506 /nfs/dbraw/zinc/66/05/06/531660506.db2.gz XYHHTBFMCLWEGI-UONOGXRCSA-N 2 1 388.354 1.985 20 0 GDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638621666 531661509 /nfs/dbraw/zinc/66/15/09/531661509.db2.gz XDOPRLZWLYRLEV-OAHLLOKOSA-N 2 1 382.306 1.818 20 0 GDADMP O=C(N[C@@H]1CCC[NH2+]CC1)c1sc2c(c1I)C[NH2+]C2 ZINC000595950451 531896085 /nfs/dbraw/zinc/89/60/85/531896085.db2.gz LSDRWGQDAYKTCD-MRVPVSSYSA-N 2 1 391.278 1.828 20 0 GDADMP C[C@@]1(C[NH3+])CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595950896 531896119 /nfs/dbraw/zinc/89/61/19/531896119.db2.gz NRWPDJRVIFIDII-ZDUSSCGKSA-N 2 1 391.278 1.767 20 0 GDADMP CC(C)(O)C[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000647909091 531902748 /nfs/dbraw/zinc/90/27/48/531902748.db2.gz LWVWRYJSQYVGKE-UHFFFAOYSA-N 2 1 389.949 1.443 20 0 GDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796299 531915991 /nfs/dbraw/zinc/91/59/91/531915991.db2.gz JFWBBPZELSLXFT-ZWKOTPCHSA-N 2 1 385.346 1.960 20 0 GDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796299 531915997 /nfs/dbraw/zinc/91/59/97/531915997.db2.gz JFWBBPZELSLXFT-ZWKOTPCHSA-N 2 1 385.346 1.960 20 0 GDADMP NS(=O)(=O)c1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)ccc1Cl ZINC000631068087 531996560 /nfs/dbraw/zinc/99/65/60/531996560.db2.gz MHKVBIQGQHQEBC-CQSZACIVSA-N 2 1 375.922 1.314 20 0 GDADMP Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000423108348 532072477 /nfs/dbraw/zinc/07/24/77/532072477.db2.gz LYLFRZGFGVLSKK-LLVKDONJSA-N 2 1 376.320 1.233 20 0 GDADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359893810 206267666 /nfs/dbraw/zinc/26/76/66/206267666.db2.gz CZEMRLGLULFCDJ-AZUAARDMSA-N 2 1 388.556 1.995 20 0 GDADMP COC(=O)c1cc2cc(C[NH+]3CCC(O)(C[NH+]4CCOCC4)CC3)ccc2o1 ZINC000359997734 206279390 /nfs/dbraw/zinc/27/93/90/206279390.db2.gz KHABARMMYDCELP-UHFFFAOYSA-N 2 1 388.464 1.879 20 0 GDADMP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000737743030 599069459 /nfs/dbraw/zinc/06/94/59/599069459.db2.gz SJISCWZAKLLMAZ-LJQANCHMSA-N 2 1 397.527 1.981 20 0 GDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625689 606989639 /nfs/dbraw/zinc/98/96/39/606989639.db2.gz UEHADFKUZIZCHR-JSGCOSHPSA-N 2 1 375.502 1.673 20 0 GDADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625689 606989641 /nfs/dbraw/zinc/98/96/41/606989641.db2.gz UEHADFKUZIZCHR-JSGCOSHPSA-N 2 1 375.502 1.673 20 0 GDADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625689 606989643 /nfs/dbraw/zinc/98/96/43/606989643.db2.gz UEHADFKUZIZCHR-JSGCOSHPSA-N 2 1 375.502 1.673 20 0 GDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625689 606989645 /nfs/dbraw/zinc/98/96/45/606989645.db2.gz UEHADFKUZIZCHR-JSGCOSHPSA-N 2 1 375.502 1.673 20 0 GDADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2Br)CC1 ZINC000545192004 650451158 /nfs/dbraw/zinc/45/11/58/650451158.db2.gz SEXLMTOAIONVGP-HNNXBMFYSA-N 2 1 387.318 1.889 20 0 GDADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351560 645941429 /nfs/dbraw/zinc/94/14/29/645941429.db2.gz XHDNOPQWIOTUCE-XJKSGUPXSA-N 2 1 381.318 1.756 20 0 GDADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351560 645941431 /nfs/dbraw/zinc/94/14/31/645941431.db2.gz XHDNOPQWIOTUCE-XJKSGUPXSA-N 2 1 381.318 1.756 20 0 GDADMP O=S(=O)(c1ccc(F)c(F)c1F)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000517020409 648550949 /nfs/dbraw/zinc/55/09/49/648550949.db2.gz FJRANAWXIZNBTH-GFCCVEGCSA-N 2 1 377.432 1.410 20 0 GDADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574292340 651529850 /nfs/dbraw/zinc/52/98/50/651529850.db2.gz LPRHWRAZZOWNGQ-UONOGXRCSA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574292340 651529855 /nfs/dbraw/zinc/52/98/55/651529855.db2.gz LPRHWRAZZOWNGQ-UONOGXRCSA-N 2 1 381.274 1.022 20 0 GDADMP C[NH+](C)C1CN(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000581055268 651957108 /nfs/dbraw/zinc/95/71/08/651957108.db2.gz FMBPAXSEYJKOJY-UHFFFAOYSA-N 2 1 397.321 1.374 20 0 GDADMP O=C(NC[C@H]1CCCC[NH2+]1)c1sc2c(c1I)C[NH2+]C2 ZINC000595920314 652426860 /nfs/dbraw/zinc/42/68/60/652426860.db2.gz RCALXZAVIZTSQP-MRVPVSSYSA-N 2 1 391.278 1.828 20 0 GDADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595953217 652429872 /nfs/dbraw/zinc/42/98/72/652429872.db2.gz XPOCLVAEXYUERA-JGVFFNPUSA-N 2 1 391.278 1.813 20 0 GDADMP C[C@@H]1CC[C@@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C[NH2+]1 ZINC000602552179 652640902 /nfs/dbraw/zinc/64/09/02/652640902.db2.gz GLLWVDCGNFSLOP-HTQZYQBOSA-N 2 1 391.278 1.826 20 0 GDADMP [NH3+]CCCOCCNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000602552721 652641307 /nfs/dbraw/zinc/64/13/07/652641307.db2.gz PJZXDSKDKWRQMB-UHFFFAOYSA-N 2 1 395.266 1.051 20 0 GDADMP NS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629562346 653172377 /nfs/dbraw/zinc/17/23/77/653172377.db2.gz BKQDANHEFBUTGT-BXUZGUMPSA-N 2 1 381.420 1.172 20 0 GDADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629562346 653172384 /nfs/dbraw/zinc/17/23/84/653172384.db2.gz BKQDANHEFBUTGT-BXUZGUMPSA-N 2 1 381.420 1.172 20 0 GDADMP O=C(CN1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000638112607 653536797 /nfs/dbraw/zinc/53/67/97/653536797.db2.gz ZCWCFOJYXWWKQQ-UHFFFAOYSA-N 2 1 385.339 1.979 20 0 GDADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000662751549 654301538 /nfs/dbraw/zinc/30/15/38/654301538.db2.gz KESOPSLEPZMKMW-SJORKVTESA-N 2 1 396.329 1.894 20 0 GDADMP O=S(=O)(NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1Cl ZINC000669851968 654511713 /nfs/dbraw/zinc/51/17/13/654511713.db2.gz FAXPRBALYHRZGC-UONOGXRCSA-N 2 1 375.897 1.974 20 0 GDADMP O=S(=O)(NCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1Cl ZINC000669851968 654511715 /nfs/dbraw/zinc/51/17/15/654511715.db2.gz FAXPRBALYHRZGC-UONOGXRCSA-N 2 1 375.897 1.974 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncnc2c1c(Br)nn2C ZINC000853773376 655649788 /nfs/dbraw/zinc/64/97/88/655649788.db2.gz BWDRTHCMGWTDDH-NSHDSACASA-N 2 1 384.326 1.810 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncnc2c1c(Br)nn2C ZINC000853773376 655649790 /nfs/dbraw/zinc/64/97/90/655649790.db2.gz BWDRTHCMGWTDDH-NSHDSACASA-N 2 1 384.326 1.810 20 0 GDADMP C[C@H]([NH3+])CN(C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000859693585 655788961 /nfs/dbraw/zinc/78/89/61/655788961.db2.gz FHAYHSHXBXIHCJ-NSHDSACASA-N 2 1 385.310 1.407 20 0 GDADMP CCC[N@@H+](C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CC[NH2+]CC1 ZINC000923328288 656545506 /nfs/dbraw/zinc/54/55/06/656545506.db2.gz VPSGBWPTYQZWHB-MRXNPFEDSA-N 2 1 375.579 1.452 20 0 GDADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)C[C@H]1C[NH+](C)C ZINC000877144600 656656224 /nfs/dbraw/zinc/65/62/24/656656224.db2.gz QKXIIJVZVSZQGQ-CKEIUWERSA-N 3 1 397.361 1.647 20 0 GDADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)s1 ZINC000925488419 656713775 /nfs/dbraw/zinc/71/37/75/656713775.db2.gz CLANTSDJAZDJCF-AIGAYMNCSA-N 2 1 383.583 1.907 20 0 GDADMP O=C(Nc1ccncc1Br)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000926082501 656734780 /nfs/dbraw/zinc/73/47/80/656734780.db2.gz GNFQTTZTAJWOQU-OKILXGFUSA-N 2 1 394.317 1.699 20 0 GDADMP COCC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)CC1CC[NH+](C)CC1 ZINC000879126628 656776148 /nfs/dbraw/zinc/77/61/48/656776148.db2.gz LOUQVETXEISEJO-UHFFFAOYSA-N 2 1 389.949 1.778 20 0 GDADMP C[NH+](C)CC1(O)CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000931482588 657102983 /nfs/dbraw/zinc/10/29/83/657102983.db2.gz YQONNBKSOLDCST-MRXNPFEDSA-N 2 1 396.329 1.943 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000904494208 659402594 /nfs/dbraw/zinc/40/25/94/659402594.db2.gz NGZTVHGTMFEKCG-AULYBMBSSA-N 2 1 397.321 1.455 20 0 GDADMP COC(=O)c1nc2cnccc2c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682370 719628269 /nfs/dbraw/zinc/62/82/69/719628269.db2.gz MOXFSIZEPRASTK-UHFFFAOYSA-N 2 1 395.467 1.483 20 0 GDADMP COC(=O)c1nc2cnccc2c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682370 719628277 /nfs/dbraw/zinc/62/82/77/719628277.db2.gz MOXFSIZEPRASTK-UHFFFAOYSA-N 2 1 395.467 1.483 20 0 GDADMP c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746251 720818792 /nfs/dbraw/zinc/81/87/92/720818792.db2.gz YRNOQVGRPYZGBL-SQGPQFPESA-N 2 1 394.527 1.093 20 0 GDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(C[NH+](C)C)ccn3)CC2)C1 ZINC001164879677 721288856 /nfs/dbraw/zinc/28/88/56/721288856.db2.gz YXZPLEXAVVUOMK-UHFFFAOYSA-N 2 1 389.544 1.150 20 0 GDADMP [NH3+]C1CCN(c2ccnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n2)CC1 ZINC001164791077 721418390 /nfs/dbraw/zinc/41/83/90/721418390.db2.gz ZFZTWRIMOFNKLN-HUUCEWRRSA-N 2 1 385.541 1.429 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2CC[NH2+]CC3)[C@@H]2CCCO[C@@H]12 ZINC001164795406 721526540 /nfs/dbraw/zinc/52/65/40/721526540.db2.gz OQIWNGQGXQDZST-NJDAHSKKSA-N 2 1 394.523 1.428 20 0 GDADMP C[NH+]1CCN(c2ncnc3c2CCN(c2cc(N4CCCC4)cc[nH+]2)CC3)CC1 ZINC001164997164 722235574 /nfs/dbraw/zinc/23/55/74/722235574.db2.gz MXTQFDJXBORZST-UHFFFAOYSA-N 2 1 393.539 1.829 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571281598 945806417 /nfs/dbraw/zinc/80/64/17/945806417.db2.gz JPIAIYAHGNEKAZ-SUMWQHHRSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571281598 945806426 /nfs/dbraw/zinc/80/64/26/945806426.db2.gz JPIAIYAHGNEKAZ-SUMWQHHRSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571281598 945806439 /nfs/dbraw/zinc/80/64/39/945806439.db2.gz JPIAIYAHGNEKAZ-SUMWQHHRSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282047 945826637 /nfs/dbraw/zinc/82/66/37/945826637.db2.gz CNFJETIUZWEWBY-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571294745 946142797 /nfs/dbraw/zinc/14/27/97/946142797.db2.gz LUHKEMVWKWWVMW-CQSZACIVSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[N@H+]1C ZINC001571295584 946169240 /nfs/dbraw/zinc/16/92/40/946169240.db2.gz YIUNFBTUZNLNRI-DFHBCGBQSA-N 2 1 389.529 1.349 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571295584 946169249 /nfs/dbraw/zinc/16/92/49/946169249.db2.gz YIUNFBTUZNLNRI-DFHBCGBQSA-N 2 1 389.529 1.349 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571295584 946169260 /nfs/dbraw/zinc/16/92/60/946169260.db2.gz YIUNFBTUZNLNRI-DFHBCGBQSA-N 2 1 389.529 1.349 20 0 GDADMP NC(=O)C1(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCC1 ZINC000826389362 948196657 /nfs/dbraw/zinc/19/66/57/948196657.db2.gz WDIXRERXROKRAW-UHFFFAOYSA-N 2 1 383.500 1.466 20 0 GDADMP OCCCSCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826509822 948430524 /nfs/dbraw/zinc/43/05/24/948430524.db2.gz LLANNVKXWASGOP-UHFFFAOYSA-N 2 1 376.530 1.536 20 0 GDADMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574918532 948849453 /nfs/dbraw/zinc/84/94/53/948849453.db2.gz MTQSNQNVGVARLD-MRXNPFEDSA-N 2 1 385.516 1.679 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926217 948991551 /nfs/dbraw/zinc/99/15/51/948991551.db2.gz LBZJYFVEICIDFE-LBPRGKRZSA-N 2 1 375.452 1.084 20 0 GDADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575873312 949574954 /nfs/dbraw/zinc/57/49/54/949574954.db2.gz BFKDRAOQYXOODB-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575873989 949595979 /nfs/dbraw/zinc/59/59/79/949595979.db2.gz DEXBOUMWFDIGJF-JSGCOSHPSA-N 2 1 377.518 1.349 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574957015 949598736 /nfs/dbraw/zinc/59/87/36/949598736.db2.gz QAOPTPPGMRWDBK-LRDDRELGSA-N 2 1 375.452 1.084 20 0 GDADMP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574715737 949663526 /nfs/dbraw/zinc/66/35/26/949663526.db2.gz FZMQJQWXUNHTKD-WBVHZDCISA-N 2 1 385.516 1.678 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574962422 949732376 /nfs/dbraw/zinc/73/23/76/949732376.db2.gz AGEXWWORECGXHW-IPYPFGDCSA-N 2 1 389.479 1.330 20 0 GDADMP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574718240 949770437 /nfs/dbraw/zinc/77/04/37/949770437.db2.gz ZNWSVDQSLNJQAH-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575285207 949937714 /nfs/dbraw/zinc/93/77/14/949937714.db2.gz LUIIFAFRTFFERX-CQSZACIVSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576192264 950231075 /nfs/dbraw/zinc/23/10/75/950231075.db2.gz LGSGMRVACIZZQL-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576192785 950268212 /nfs/dbraw/zinc/26/82/12/950268212.db2.gz OXJNJINDCLTSCZ-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576193010 950281756 /nfs/dbraw/zinc/28/17/56/950281756.db2.gz QQQADSQRWOPNJY-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576193140 950285970 /nfs/dbraw/zinc/28/59/70/950285970.db2.gz SCOGSSNMPDCFKM-CHWSQXEVSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576196404 950362262 /nfs/dbraw/zinc/36/22/62/950362262.db2.gz COSZKZSLLBCXPH-CYBMUJFWSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576196783 950371075 /nfs/dbraw/zinc/37/10/75/950371075.db2.gz HZAGNGJDZNVCSF-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576197247 950383117 /nfs/dbraw/zinc/38/31/17/950383117.db2.gz LYIZFIAGATVZFS-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576197282 950388376 /nfs/dbraw/zinc/38/83/76/950388376.db2.gz MQYRLMHTEPQMKU-XJKSGUPXSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576197425 950389110 /nfs/dbraw/zinc/38/91/10/950389110.db2.gz NJUFOCGCACOWKW-HUUCEWRRSA-N 2 1 384.488 1.031 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001576198929 950420953 /nfs/dbraw/zinc/42/09/53/950420953.db2.gz WVPPEFOHDLYNLY-CZUORRHYSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204296 950456934 /nfs/dbraw/zinc/45/69/34/950456934.db2.gz NMUVHQUGXQHPDA-QRWLVFNGSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204296 950456947 /nfs/dbraw/zinc/45/69/47/950456947.db2.gz NMUVHQUGXQHPDA-QRWLVFNGSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204296 950456957 /nfs/dbraw/zinc/45/69/57/950456957.db2.gz NMUVHQUGXQHPDA-QRWLVFNGSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576204726 950471371 /nfs/dbraw/zinc/47/13/71/950471371.db2.gz BBJWQCPMSWFCHR-ZIAGYGMSSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204820 950478920 /nfs/dbraw/zinc/47/89/20/950478920.db2.gz CTOLIFRAPZEBAB-OLZOCXBDSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204820 950478931 /nfs/dbraw/zinc/47/89/31/950478931.db2.gz CTOLIFRAPZEBAB-OLZOCXBDSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576204820 950478943 /nfs/dbraw/zinc/47/89/43/950478943.db2.gz CTOLIFRAPZEBAB-OLZOCXBDSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576206107 950559956 /nfs/dbraw/zinc/55/99/56/950559956.db2.gz URROBHMBYYOOQI-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576206107 950559967 /nfs/dbraw/zinc/55/99/67/950559967.db2.gz URROBHMBYYOOQI-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576206107 950559987 /nfs/dbraw/zinc/55/99/87/950559987.db2.gz URROBHMBYYOOQI-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575925736 950692362 /nfs/dbraw/zinc/69/23/62/950692362.db2.gz IFDYXRMBJQVGAC-UKRRQHHQSA-N 2 1 386.504 1.063 20 0 GDADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079911 951699753 /nfs/dbraw/zinc/69/97/53/951699753.db2.gz STYUODKUDNBUCR-ZIAGYGMSSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089827 951754591 /nfs/dbraw/zinc/75/45/91/951754591.db2.gz IQZJBKJUYUNMPQ-QAPCUYQASA-N 2 1 385.516 1.583 20 0 GDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092261 951793704 /nfs/dbraw/zinc/79/37/04/951793704.db2.gz BOJSNLAUAKDXTH-QAPCUYQASA-N 2 1 385.516 1.676 20 0 GDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099847 951840175 /nfs/dbraw/zinc/84/01/75/951840175.db2.gz PEKSSUYXRQDCTH-ZFWWWQNUSA-N 2 1 391.545 1.738 20 0 GDADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101285 951855478 /nfs/dbraw/zinc/85/54/78/951855478.db2.gz BKDMGLMNDUTBQS-ZFWWWQNUSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113628 951943177 /nfs/dbraw/zinc/94/31/77/951943177.db2.gz CIJGTKVAUSKHAE-WBVHZDCISA-N 2 1 385.516 1.583 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234680 953204913 /nfs/dbraw/zinc/20/49/13/953204913.db2.gz FTVZRIDXHQENAK-IAGOWNOFSA-N 2 1 383.500 1.147 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001571234773 953205556 /nfs/dbraw/zinc/20/55/56/953205556.db2.gz IMUSBQIQAQGQID-QGZVFWFLSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001571234837 953206303 /nfs/dbraw/zinc/20/63/03/953206303.db2.gz KCXDEGDSEGSHMP-MSOLQXFVSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001571234837 953206305 /nfs/dbraw/zinc/20/63/05/953206305.db2.gz KCXDEGDSEGSHMP-MSOLQXFVSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001571234837 953206307 /nfs/dbraw/zinc/20/63/07/953206307.db2.gz KCXDEGDSEGSHMP-MSOLQXFVSA-N 2 1 383.500 1.384 20 0 GDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235104 953208529 /nfs/dbraw/zinc/20/85/29/953208529.db2.gz SZBRDRZIMILHFJ-GOSISDBHSA-N 2 1 383.500 1.241 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001571235193 953209752 /nfs/dbraw/zinc/20/97/52/953209752.db2.gz WMRSRPQQSYNFQN-MRXNPFEDSA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](CO)Cc3c[nH]c4ccccc34)cn2)CC1 ZINC000134332372 1126076467 /nfs/dbraw/zinc/07/64/67/1126076467.db2.gz PSTFDJTXRAINEZ-SFHVURJKSA-N 2 1 380.496 1.403 20 0 GDADMP O=S(=O)(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)N1CCSCC1 ZINC000155738850 531202611 /nfs/dbraw/zinc/20/26/11/531202611.db2.gz QRFHLKJQKAYIKT-UHFFFAOYSA-N 2 1 375.604 1.752 20 0 GDADMP C[N@@H+]1CC[C@@H](C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000519687181 531218345 /nfs/dbraw/zinc/21/83/45/531218345.db2.gz PIKMFQWTMRGNHJ-GFCCVEGCSA-N 2 1 382.306 1.486 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000519687181 531218348 /nfs/dbraw/zinc/21/83/48/531218348.db2.gz PIKMFQWTMRGNHJ-GFCCVEGCSA-N 2 1 382.306 1.486 20 0 GDADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)c2cccc(Br)c2)CC1 ZINC000411503939 531325528 /nfs/dbraw/zinc/32/55/28/531325528.db2.gz KZNFVQIRFOWCLY-INIZCTEOSA-N 2 1 384.318 1.673 20 0 GDADMP COc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])cc(I)c1OC ZINC000415067227 531465956 /nfs/dbraw/zinc/46/59/56/531465956.db2.gz KCXFTTGZDYQGHA-JTQLQIEISA-N 2 1 380.226 1.060 20 0 GDADMP COc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc(I)c1OC ZINC000415067227 531465961 /nfs/dbraw/zinc/46/59/61/531465961.db2.gz KCXFTTGZDYQGHA-JTQLQIEISA-N 2 1 380.226 1.060 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1Br ZINC000415696044 531515642 /nfs/dbraw/zinc/51/56/42/531515642.db2.gz UADAWYYLQPLOKS-QGZVFWFLSA-N 2 1 397.317 1.647 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1Br ZINC000415869628 531546728 /nfs/dbraw/zinc/54/67/28/531546728.db2.gz NPEUPGFWMPDCJX-AWEZNQCLSA-N 2 1 397.317 1.708 20 0 GDADMP O=S(=O)(NCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1F ZINC000669618692 531818578 /nfs/dbraw/zinc/81/85/78/531818578.db2.gz LLPPRCRULDFBJN-KBPBESRZSA-N 2 1 375.897 1.974 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCCC(C)(C)[NH3+])cc1Br ZINC000641822676 531852822 /nfs/dbraw/zinc/85/28/22/531852822.db2.gz UTGKMDFNVACDSX-UHFFFAOYSA-N 2 1 385.306 1.693 20 0 GDADMP O=C(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000431021842 532260001 /nfs/dbraw/zinc/26/00/01/532260001.db2.gz DPODWMXHLKACIS-QGZVFWFLSA-N 2 1 396.329 1.908 20 0 GDADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(NC(=O)c3ccc[nH]3)CC2)CC1 ZINC000359874166 206266000 /nfs/dbraw/zinc/26/60/00/206266000.db2.gz QPRXBVCWZNLPMX-UHFFFAOYSA-N 2 1 375.517 1.198 20 0 GDADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000738421127 599491783 /nfs/dbraw/zinc/49/17/83/599491783.db2.gz PKGJEJWJBXQKBA-AWEZNQCLSA-N 2 1 382.472 1.105 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826504578 607478718 /nfs/dbraw/zinc/47/87/18/607478718.db2.gz ZELSGVBFIJXFGB-IMFGXOCKSA-N 2 1 398.511 1.555 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826504578 607478719 /nfs/dbraw/zinc/47/87/19/607478719.db2.gz ZELSGVBFIJXFGB-IMFGXOCKSA-N 2 1 398.511 1.555 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000826504578 607478720 /nfs/dbraw/zinc/47/87/20/607478720.db2.gz ZELSGVBFIJXFGB-IMFGXOCKSA-N 2 1 398.511 1.555 20 0 GDADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596651 606098285 /nfs/dbraw/zinc/09/82/85/606098285.db2.gz QTYGVQJGTCIAMQ-AEFFLSMTSA-N 2 1 386.500 1.270 20 0 GDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596651 606098289 /nfs/dbraw/zinc/09/82/89/606098289.db2.gz QTYGVQJGTCIAMQ-AEFFLSMTSA-N 2 1 386.500 1.270 20 0 GDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596651 606098293 /nfs/dbraw/zinc/09/82/93/606098293.db2.gz QTYGVQJGTCIAMQ-AEFFLSMTSA-N 2 1 386.500 1.270 20 0 GDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596651 606098296 /nfs/dbraw/zinc/09/82/96/606098296.db2.gz QTYGVQJGTCIAMQ-AEFFLSMTSA-N 2 1 386.500 1.270 20 0 GDADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000467246015 647639367 /nfs/dbraw/zinc/63/93/67/647639367.db2.gz ZMEGTLGMCMGQPI-UHFFFAOYSA-N 2 1 385.306 1.517 20 0 GDADMP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467246015 647639370 /nfs/dbraw/zinc/63/93/70/647639370.db2.gz ZMEGTLGMCMGQPI-UHFFFAOYSA-N 2 1 385.306 1.517 20 0 GDADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467246015 647639376 /nfs/dbraw/zinc/63/93/76/647639376.db2.gz ZMEGTLGMCMGQPI-UHFFFAOYSA-N 2 1 385.306 1.517 20 0 GDADMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncc(I)s1 ZINC000511979128 648393646 /nfs/dbraw/zinc/39/36/46/648393646.db2.gz RRNSRBUSEWBYCG-NSHDSACASA-N 2 1 394.326 1.863 20 0 GDADMP [NH3+][C@@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC[C@H]1F ZINC000595993010 652431979 /nfs/dbraw/zinc/43/19/79/652431979.db2.gz ZTLYETLXVCULPH-HTQZYQBOSA-N 2 1 395.241 1.467 20 0 GDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000629571934 653173525 /nfs/dbraw/zinc/17/35/25/653173525.db2.gz UGGKWCKQOUAFEH-UHFFFAOYSA-N 2 1 378.336 1.637 20 0 GDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000629571934 653173526 /nfs/dbraw/zinc/17/35/26/653173526.db2.gz UGGKWCKQOUAFEH-UHFFFAOYSA-N 2 1 378.336 1.637 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)cncc1Br ZINC000633613777 653458322 /nfs/dbraw/zinc/45/83/22/653458322.db2.gz GCVZSLZTYJGCAV-NSHDSACASA-N 2 1 375.286 1.985 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)cncc1Br ZINC000633613777 653458325 /nfs/dbraw/zinc/45/83/25/653458325.db2.gz GCVZSLZTYJGCAV-NSHDSACASA-N 2 1 375.286 1.985 20 0 GDADMP COCC1(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)CC[NH2+]CC1 ZINC000659310305 654221627 /nfs/dbraw/zinc/22/16/27/654221627.db2.gz YKZDBSZDQOXGNN-UHFFFAOYSA-N 2 1 388.331 1.860 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1[nH]nc(C)c1Br ZINC000725717406 654841517 /nfs/dbraw/zinc/84/15/17/654841517.db2.gz LGPKUELCKGDBJG-CYBMUJFWSA-N 2 1 386.338 1.969 20 0 GDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1n[nH]c(C)c1Br ZINC000725717406 654841520 /nfs/dbraw/zinc/84/15/20/654841520.db2.gz LGPKUELCKGDBJG-CYBMUJFWSA-N 2 1 386.338 1.969 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1n[nH]c(C)c1Br ZINC000725717406 654841524 /nfs/dbraw/zinc/84/15/24/654841524.db2.gz LGPKUELCKGDBJG-CYBMUJFWSA-N 2 1 386.338 1.969 20 0 GDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765448385 655240596 /nfs/dbraw/zinc/24/05/96/655240596.db2.gz DNVZOIGLEPVUKQ-ZIAGYGMSSA-N 2 1 391.559 1.403 20 0 GDADMP C[C@]([NH3+])(C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000827936119 655517858 /nfs/dbraw/zinc/51/78/58/655517858.db2.gz DWTGUXSRVPIVSG-HLLBOEOZSA-N 2 1 382.302 1.602 20 0 GDADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)nn1 ZINC000923411715 656550779 /nfs/dbraw/zinc/55/07/79/656550779.db2.gz RCWFIEGPSPMYPH-CHWSQXEVSA-N 2 1 386.283 1.730 20 0 GDADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789386 656984531 /nfs/dbraw/zinc/98/45/31/656984531.db2.gz DRKHFZWIFLFNCV-HZPDHXFCSA-N 2 1 375.579 1.262 20 0 GDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789386 656984534 /nfs/dbraw/zinc/98/45/34/656984534.db2.gz DRKHFZWIFLFNCV-HZPDHXFCSA-N 2 1 375.579 1.262 20 0 GDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789386 656984537 /nfs/dbraw/zinc/98/45/37/656984537.db2.gz DRKHFZWIFLFNCV-HZPDHXFCSA-N 2 1 375.579 1.262 20 0 GDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789386 656984540 /nfs/dbraw/zinc/98/45/40/656984540.db2.gz DRKHFZWIFLFNCV-HZPDHXFCSA-N 2 1 375.579 1.262 20 0 GDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000884362529 657350458 /nfs/dbraw/zinc/35/04/58/657350458.db2.gz MVRYTWALDHIRRF-IUCAKERBSA-N 2 1 391.278 1.812 20 0 GDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc(F)nc3Br)nn2)CC1 ZINC000899745856 659058253 /nfs/dbraw/zinc/05/82/53/659058253.db2.gz RATRSBDFACGVIT-UHFFFAOYSA-N 2 1 383.269 1.589 20 0 GDADMP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc(Cl)c1OCC(N)=O ZINC000903958353 659389800 /nfs/dbraw/zinc/38/98/00/659389800.db2.gz YJBNHDMJXCJASE-LLVKDONJSA-N 2 1 377.819 1.547 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)n2)CC1 ZINC001164619778 719049144 /nfs/dbraw/zinc/04/91/44/719049144.db2.gz DTYMUIMZYYYDQO-UGKGYDQZSA-N 2 1 378.524 1.812 20 0 GDADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4cncc(N5CC[NH2+]CC5)n4)[C@@H]3C2)cc1 ZINC001164624341 719081855 /nfs/dbraw/zinc/08/18/55/719081855.db2.gz LHOFGMWYSCLLSU-WOJBJXKFSA-N 2 1 378.524 1.987 20 0 GDADMP Cn1nnc2c1CCN(c1ccc3c([nH+]1)CCC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164715896 720177618 /nfs/dbraw/zinc/17/76/18/720177618.db2.gz DEYKSINNDGFDLJ-IBGZPJMESA-N 2 1 382.512 1.915 20 0 GDADMP Cc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc(N(C)C)[nH+]1 ZINC001164811490 720213179 /nfs/dbraw/zinc/21/31/79/720213179.db2.gz IKUMZPPYVRQQBG-UHFFFAOYSA-N 2 1 385.516 1.658 20 0 GDADMP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164818693 720286415 /nfs/dbraw/zinc/28/64/15/720286415.db2.gz MDCNFHRIETVBSR-ZWKOTPCHSA-N 2 1 386.544 1.844 20 0 GDADMP C[N@@H+](Cc1ccc(N2CC[NH+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164745850 720776168 /nfs/dbraw/zinc/77/61/68/720776168.db2.gz WARLYKWSZOXCKI-MOPGFXCFSA-N 2 1 380.496 1.808 20 0 GDADMP C[NH+](Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164745850 720776175 /nfs/dbraw/zinc/77/61/75/720776175.db2.gz WARLYKWSZOXCKI-MOPGFXCFSA-N 2 1 380.496 1.808 20 0 GDADMP C[NH+](Cc1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164745850 720776195 /nfs/dbraw/zinc/77/61/95/720776195.db2.gz WARLYKWSZOXCKI-MOPGFXCFSA-N 2 1 380.496 1.808 20 0 GDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CC[NH2+]C5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164746188 720815271 /nfs/dbraw/zinc/81/52/71/720815271.db2.gz MBXDHNIDRAMYHI-ZJOUEHCJSA-N 2 1 393.539 1.698 20 0 GDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746248 720818770 /nfs/dbraw/zinc/81/87/70/720818770.db2.gz YRNOQVGRPYZGBL-FUHIMQAGSA-N 2 1 394.527 1.093 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cccc(N4CCOCC4)[nH+]3)CC[C@H]2C1 ZINC001164852051 720867898 /nfs/dbraw/zinc/86/78/98/720867898.db2.gz BYIMUBHFTKVAHF-ROUUACIJSA-N 2 1 376.501 1.092 20 0 GDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C[NH3+])ncn3)C2)C1 ZINC001164776128 721344100 /nfs/dbraw/zinc/34/41/00/721344100.db2.gz AGVNEQTWBYDWHS-HXUWFJFHSA-N 2 1 386.500 1.659 20 0 GDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C[NH3+])ncn3)C2)C1 ZINC001164776128 721344104 /nfs/dbraw/zinc/34/41/04/721344104.db2.gz AGVNEQTWBYDWHS-HXUWFJFHSA-N 2 1 386.500 1.659 20 0 GDADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164896941 721519757 /nfs/dbraw/zinc/51/97/57/721519757.db2.gz CSCJVBQKYHKKRU-PKOBYXMFSA-N 2 1 398.486 1.367 20 0 GDADMP c1ccc(CC[NH+]2CCN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC2)nc1 ZINC001165056047 722019131 /nfs/dbraw/zinc/01/91/31/722019131.db2.gz UYPPCQSLWDQJSW-UHFFFAOYSA-N 2 1 382.512 1.615 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294129 946125276 /nfs/dbraw/zinc/12/52/76/946125276.db2.gz BGNGLWLAVNBMSQ-ZFWWWQNUSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)CC[NH+]1C ZINC001571295621 946170068 /nfs/dbraw/zinc/17/00/68/946170068.db2.gz ZSFLFRJQRUHESY-GBOPCIDUSA-N 2 1 389.529 1.347 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)CC[N@@H+]1C ZINC001571295621 946170071 /nfs/dbraw/zinc/17/00/71/946170071.db2.gz ZSFLFRJQRUHESY-GBOPCIDUSA-N 2 1 389.529 1.347 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)CC[N@H+]1C ZINC001571295621 946170078 /nfs/dbraw/zinc/17/00/78/946170078.db2.gz ZSFLFRJQRUHESY-GBOPCIDUSA-N 2 1 389.529 1.347 20 0 GDADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574919217 948873086 /nfs/dbraw/zinc/87/30/86/948873086.db2.gz WTAVILZRKWQOKD-CYBMUJFWSA-N 2 1 377.468 1.284 20 0 GDADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574919217 948873093 /nfs/dbraw/zinc/87/30/93/948873093.db2.gz WTAVILZRKWQOKD-CYBMUJFWSA-N 2 1 377.468 1.284 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574926513 949005672 /nfs/dbraw/zinc/00/56/72/949005672.db2.gz SXCUNUPDCHRQFN-OAHLLOKOSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574926513 949005691 /nfs/dbraw/zinc/00/56/91/949005691.db2.gz SXCUNUPDCHRQFN-OAHLLOKOSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574926513 949005713 /nfs/dbraw/zinc/00/57/13/949005713.db2.gz SXCUNUPDCHRQFN-OAHLLOKOSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704382 949384156 /nfs/dbraw/zinc/38/41/56/949384156.db2.gz BTVVPWLKSINDMG-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575879759 949693775 /nfs/dbraw/zinc/69/37/75/949693775.db2.gz RKNBEGKOEJVNNX-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575879759 949693788 /nfs/dbraw/zinc/69/37/88/949693788.db2.gz RKNBEGKOEJVNNX-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574723942 949859467 /nfs/dbraw/zinc/85/94/67/949859467.db2.gz CEVKVWMSXJNBAJ-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576193327 950291566 /nfs/dbraw/zinc/29/15/66/950291566.db2.gz SUROZGOCXLZTQY-QWHCGFSZSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576196947 950379231 /nfs/dbraw/zinc/37/92/31/950379231.db2.gz JWNOKONWRUYIID-WBVHZDCISA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576197484 950399160 /nfs/dbraw/zinc/39/91/60/950399160.db2.gz OTQLERCMJBJTFT-CQSZACIVSA-N 2 1 391.545 1.550 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576197484 950399183 /nfs/dbraw/zinc/39/91/83/950399183.db2.gz OTQLERCMJBJTFT-CQSZACIVSA-N 2 1 391.545 1.550 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576197484 950399205 /nfs/dbraw/zinc/39/92/05/950399205.db2.gz OTQLERCMJBJTFT-CQSZACIVSA-N 2 1 391.545 1.550 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@H](C)C2)C1 ZINC001576202583 950428615 /nfs/dbraw/zinc/42/86/15/950428615.db2.gz BNRQBKJQKJMGGS-GPMSIDNRSA-N 2 1 397.527 1.393 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576202906 950441106 /nfs/dbraw/zinc/44/11/06/950441106.db2.gz FFGJOJQMZWUUEM-YWZLYKJASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576202906 950441113 /nfs/dbraw/zinc/44/11/13/950441113.db2.gz FFGJOJQMZWUUEM-YWZLYKJASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576202906 950441121 /nfs/dbraw/zinc/44/11/21/950441121.db2.gz FFGJOJQMZWUUEM-YWZLYKJASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001576204121 950459628 /nfs/dbraw/zinc/45/96/28/950459628.db2.gz MHBIKEFUBAHILA-HNNXBMFYSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205308 950509483 /nfs/dbraw/zinc/50/94/83/950509483.db2.gz WWQIOIPNODNJSO-IIDMSEBBSA-N 2 1 383.500 1.145 20 0 GDADMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576205948 950548509 /nfs/dbraw/zinc/54/85/09/950548509.db2.gz RNVDJVMLJGDSQB-MAUKXSAKSA-N 2 1 385.516 1.439 20 0 GDADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080065 951702445 /nfs/dbraw/zinc/70/24/45/951702445.db2.gz KFZOESOAZITZFT-ZDUSSCGKSA-N 2 1 377.468 1.188 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001575089874 951754994 /nfs/dbraw/zinc/75/49/94/951754994.db2.gz IDGNSSAEPACHRE-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089825 951755187 /nfs/dbraw/zinc/75/51/87/951755187.db2.gz IQZJBKJUYUNMPQ-MAUKXSAKSA-N 2 1 385.516 1.583 20 0 GDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104829 951888530 /nfs/dbraw/zinc/88/85/30/951888530.db2.gz DZMXVXIOUXOYRG-QAPCUYQASA-N 2 1 385.516 1.581 20 0 GDADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[NH+](C)C ZINC001571233886 953197040 /nfs/dbraw/zinc/19/70/40/953197040.db2.gz HAUSTKDAGPTAJA-FGTMMUONSA-N 2 1 383.500 1.240 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571234695 953204249 /nfs/dbraw/zinc/20/42/49/953204249.db2.gz GDXKLZHVLDLEEI-NVXWUHKLSA-N 2 1 383.500 1.145 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571234695 953204250 /nfs/dbraw/zinc/20/42/50/953204250.db2.gz GDXKLZHVLDLEEI-NVXWUHKLSA-N 2 1 383.500 1.145 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571234695 953204252 /nfs/dbraw/zinc/20/42/52/953204252.db2.gz GDXKLZHVLDLEEI-NVXWUHKLSA-N 2 1 383.500 1.145 20 0 GDADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001571234838 953206232 /nfs/dbraw/zinc/20/62/32/953206232.db2.gz KCXDEGDSEGSHMP-QZTJIDSGSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001571234838 953206237 /nfs/dbraw/zinc/20/62/37/953206237.db2.gz KCXDEGDSEGSHMP-QZTJIDSGSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001571234838 953206238 /nfs/dbraw/zinc/20/62/38/953206238.db2.gz KCXDEGDSEGSHMP-QZTJIDSGSA-N 2 1 383.500 1.384 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235260 953210960 /nfs/dbraw/zinc/21/09/60/953210960.db2.gz YNPSZERRFWBSFG-IAGOWNOFSA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235260 953210962 /nfs/dbraw/zinc/21/09/62/953210962.db2.gz YNPSZERRFWBSFG-IAGOWNOFSA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235260 953210964 /nfs/dbraw/zinc/21/09/64/953210964.db2.gz YNPSZERRFWBSFG-IAGOWNOFSA-N 2 1 383.500 1.289 20 0 GDADMP Cc1cc(N(C)[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252468 953328675 /nfs/dbraw/zinc/32/86/75/953328675.db2.gz NJDPAIUVAHNJHZ-HOCLYGCPSA-N 2 1 384.488 1.092 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000261607134 531093457 /nfs/dbraw/zinc/09/34/57/531093457.db2.gz CXIKYOKLLDNIOH-LBPRGKRZSA-N 2 1 398.301 1.507 20 0 GDADMP Brc1cc2c(cc1C[N@@H+]1CC[C@@H](N3CC[NH2+]CC3)C1)OCCO2 ZINC000261888626 531102193 /nfs/dbraw/zinc/10/21/93/531102193.db2.gz NLKDQBDCJMWFIS-CQSZACIVSA-N 2 1 382.302 1.700 20 0 GDADMP Brc1cc2c(cc1C[N@H+]1CC[C@@H](N3CC[NH2+]CC3)C1)OCCO2 ZINC000261888626 531102196 /nfs/dbraw/zinc/10/21/96/531102196.db2.gz NLKDQBDCJMWFIS-CQSZACIVSA-N 2 1 382.302 1.700 20 0 GDADMP C[C@@H](CC[NH3+])NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415785136 531529547 /nfs/dbraw/zinc/52/95/47/531529547.db2.gz HXBOLQMCISMAKF-NSHDSACASA-N 2 1 385.310 1.455 20 0 GDADMP O=C(NCCC[NH+]1CCC(O)CC1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662525628 531685367 /nfs/dbraw/zinc/68/53/67/531685367.db2.gz JLGIEIRRCIQJBN-UHFFFAOYSA-N 2 1 388.331 1.690 20 0 GDADMP COc1cc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c(Br)cn1 ZINC000641103975 531777307 /nfs/dbraw/zinc/77/73/07/531777307.db2.gz PRIJJEOZQPRIDB-UHFFFAOYSA-N 2 1 395.305 1.458 20 0 GDADMP O=C(NCC1C[NH2+]C1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000669533901 531814707 /nfs/dbraw/zinc/81/47/07/531814707.db2.gz NVZISJPRGOEIGA-UHFFFAOYSA-N 2 1 381.318 1.932 20 0 GDADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595960007 531896608 /nfs/dbraw/zinc/89/66/08/531896608.db2.gz RMXGCECISMEATF-SFYZADRCSA-N 2 1 391.278 1.908 20 0 GDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000567987024 531906481 /nfs/dbraw/zinc/90/64/81/531906481.db2.gz MVVFLKBGARESJP-UHFFFAOYSA-N 2 1 388.965 1.445 20 0 GDADMP CN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000419786470 531971608 /nfs/dbraw/zinc/97/16/08/531971608.db2.gz YQYQHRNFHBIAJQ-UHFFFAOYSA-N 2 1 387.311 1.491 20 0 GDADMP COc1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(F)cc1Br ZINC000631063047 531997735 /nfs/dbraw/zinc/99/77/35/531997735.db2.gz GICNMDAJMKIVQW-UHFFFAOYSA-N 2 1 388.281 1.851 20 0 GDADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430647575 532254321 /nfs/dbraw/zinc/25/43/21/532254321.db2.gz YEUVXNPHAYKPJB-STQMWFEESA-N 2 1 397.317 1.563 20 0 GDADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000738433685 598517715 /nfs/dbraw/zinc/51/77/15/598517715.db2.gz XFLXEPQEQBHYLC-INIZCTEOSA-N 2 1 393.499 1.359 20 0 GDADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000738421131 599491906 /nfs/dbraw/zinc/49/19/06/599491906.db2.gz PKGJEJWJBXQKBA-CQSZACIVSA-N 2 1 382.472 1.105 20 0 GDADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596654 606097921 /nfs/dbraw/zinc/09/79/21/606097921.db2.gz QTYGVQJGTCIAMQ-WMZOPIPTSA-N 2 1 386.500 1.270 20 0 GDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596654 606097924 /nfs/dbraw/zinc/09/79/24/606097924.db2.gz QTYGVQJGTCIAMQ-WMZOPIPTSA-N 2 1 386.500 1.270 20 0 GDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596654 606097927 /nfs/dbraw/zinc/09/79/27/606097927.db2.gz QTYGVQJGTCIAMQ-WMZOPIPTSA-N 2 1 386.500 1.270 20 0 GDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596654 606097930 /nfs/dbraw/zinc/09/79/30/606097930.db2.gz QTYGVQJGTCIAMQ-WMZOPIPTSA-N 2 1 386.500 1.270 20 0 GDADMP CN(CC[N@@H+](C)CCCOc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](C)CC1 ZINC000826022303 608079051 /nfs/dbraw/zinc/07/90/51/608079051.db2.gz JFCNHGAYDNNGSJ-UHFFFAOYSA-N 2 1 387.532 1.593 20 0 GDADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361356 609337672 /nfs/dbraw/zinc/33/76/72/609337672.db2.gz UKDHWJAXMININO-MSOLQXFVSA-N 2 1 378.484 1.984 20 0 GDADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361356 609337674 /nfs/dbraw/zinc/33/76/74/609337674.db2.gz UKDHWJAXMININO-MSOLQXFVSA-N 2 1 378.484 1.984 20 0 GDADMP CCN(C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000522548815 648678233 /nfs/dbraw/zinc/67/82/33/648678233.db2.gz MQICYFRREXAXDX-JYJNAYRXSA-N 2 1 375.579 1.367 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000576210349 651643509 /nfs/dbraw/zinc/64/35/09/651643509.db2.gz HBSFHEKIDWVMKF-CYBMUJFWSA-N 2 1 397.321 1.551 20 0 GDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301722 651987451 /nfs/dbraw/zinc/98/74/51/651987451.db2.gz RPWLEXJVYHLSSZ-WBMJQRKESA-N 2 1 389.309 1.784 20 0 GDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301722 651987454 /nfs/dbraw/zinc/98/74/54/651987454.db2.gz RPWLEXJVYHLSSZ-WBMJQRKESA-N 2 1 389.309 1.784 20 0 GDADMP C[C@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC[NH2+]1 ZINC000595924837 652427275 /nfs/dbraw/zinc/42/72/75/652427275.db2.gz QKKKBPHPWJMOFE-ZETCQYMHSA-N 2 1 377.251 1.390 20 0 GDADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000602596053 652642698 /nfs/dbraw/zinc/64/26/98/652642698.db2.gz MRDZWXQNNVQWQV-BQBZGAKWSA-N 2 1 377.251 1.518 20 0 GDADMP C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C[NH2+]1 ZINC000626891890 653063529 /nfs/dbraw/zinc/06/35/29/653063529.db2.gz CPHQGHHFDNCGRF-SMDDNHRTSA-N 2 1 397.317 1.706 20 0 GDADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)CC2)C1 ZINC000662461892 654294252 /nfs/dbraw/zinc/29/42/52/654294252.db2.gz FKATZLKZDQUCMB-YOEHRIQHSA-N 2 1 395.345 1.687 20 0 GDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)CC2)C1 ZINC000662461892 654294254 /nfs/dbraw/zinc/29/42/54/654294254.db2.gz FKATZLKZDQUCMB-YOEHRIQHSA-N 2 1 395.345 1.687 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)nn1C ZINC000760215065 655105359 /nfs/dbraw/zinc/10/53/59/655105359.db2.gz FBEJVXWPNFJFFY-CYBMUJFWSA-N 2 1 386.338 1.671 20 0 GDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)c3ccc(Br)cc3)nn2)CC1 ZINC000871620233 656274966 /nfs/dbraw/zinc/27/49/66/656274966.db2.gz ZXKACAOKHQPBLH-QGZVFWFLSA-N 2 1 394.317 1.740 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000923281393 656542282 /nfs/dbraw/zinc/54/22/82/656542282.db2.gz NAQGZURIYAMFEX-TZMCWYRMSA-N 2 1 390.311 1.520 20 0 GDADMP C[N@@H+]1CC[C@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000923636420 656579015 /nfs/dbraw/zinc/57/90/15/656579015.db2.gz XOCUDGBOEMHDEA-CZUORRHYSA-N 2 1 390.912 1.212 20 0 GDADMP C[N@H+]1CC[C@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000923636420 656579019 /nfs/dbraw/zinc/57/90/19/656579019.db2.gz XOCUDGBOEMHDEA-CZUORRHYSA-N 2 1 390.912 1.212 20 0 GDADMP [NH3+][C@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000877328907 656667318 /nfs/dbraw/zinc/66/73/18/656667318.db2.gz OBVSHGDRPOIKDH-WFASDCNBSA-N 2 1 382.302 1.724 20 0 GDADMP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(C)nc2I)CC1 ZINC000894175762 658516229 /nfs/dbraw/zinc/51/62/29/658516229.db2.gz KXOHOFZOIOURKO-GFCCVEGCSA-N 2 1 391.301 1.140 20 0 GDADMP C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000903230145 659308294 /nfs/dbraw/zinc/30/82/94/659308294.db2.gz WDNMIWQSAQGMEO-AWEZNQCLSA-N 2 1 391.559 1.335 20 0 GDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905286895 659440167 /nfs/dbraw/zinc/44/01/67/659440167.db2.gz SWYGGJYOBOBGEF-HZPDHXFCSA-N 2 1 375.579 1.309 20 0 GDADMP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])c1ccccc1I ZINC000911856815 660019670 /nfs/dbraw/zinc/01/96/70/660019670.db2.gz BXYQTKYWHLBQCR-LBPRGKRZSA-N 2 1 375.254 1.925 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164714959 720172231 /nfs/dbraw/zinc/17/22/31/720172231.db2.gz RUBXRDYYQOIQSL-KRWDZBQOSA-N 2 1 396.499 1.313 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)CC[C@@H]2C1 ZINC001164854097 720864536 /nfs/dbraw/zinc/86/45/36/720864536.db2.gz JDDWOHVFCZUMNK-RTBURBONSA-N 2 1 389.544 1.007 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164772700 721088448 /nfs/dbraw/zinc/08/84/48/721088448.db2.gz VTKXOVWENVYSSC-HUUCEWRRSA-N 2 1 387.919 1.468 20 0 GDADMP c1csc(C[N@H+]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)C[C@H]3C2)n1 ZINC001164783951 721428197 /nfs/dbraw/zinc/42/81/97/721428197.db2.gz KCYXKLJMMNSQMF-GASCZTMLSA-N 2 1 386.525 1.632 20 0 GDADMP c1csc(C[N@@H+]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)C[C@H]3C2)n1 ZINC001164783951 721428199 /nfs/dbraw/zinc/42/81/99/721428199.db2.gz KCYXKLJMMNSQMF-GASCZTMLSA-N 2 1 386.525 1.632 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282684 945857319 /nfs/dbraw/zinc/85/73/19/945857319.db2.gz NQIYOKLWHKSDKS-YOEHRIQHSA-N 2 1 387.463 1.181 20 0 GDADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001571282727 945859491 /nfs/dbraw/zinc/85/94/91/945859491.db2.gz PACYXTBQAURDLG-INIZCTEOSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001571282727 945859505 /nfs/dbraw/zinc/85/95/05/945859505.db2.gz PACYXTBQAURDLG-INIZCTEOSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574925544 948974708 /nfs/dbraw/zinc/97/47/08/948974708.db2.gz AYTDQRRYRMLBCU-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574925544 948974725 /nfs/dbraw/zinc/97/47/25/948974725.db2.gz AYTDQRRYRMLBCU-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574925544 948974732 /nfs/dbraw/zinc/97/47/32/948974732.db2.gz AYTDQRRYRMLBCU-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926029 948982181 /nfs/dbraw/zinc/98/21/81/948982181.db2.gz GTFPEBVLAJRLND-ZDUSSCGKSA-N 2 1 391.495 1.578 20 0 GDADMP C[C@H](NC(=O)CCC[NH+](C)C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575270883 949606468 /nfs/dbraw/zinc/60/64/68/949606468.db2.gz GQKOQSKPMWVCQC-ZDUSSCGKSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574716157 949682199 /nfs/dbraw/zinc/68/21/99/949682199.db2.gz NJVUGQZQYIBNKD-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574159915 950327772 /nfs/dbraw/zinc/32/77/72/950327772.db2.gz ZNVYOHKUSXVWEQ-CQSZACIVSA-N 2 1 386.504 1.111 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576196417 950362392 /nfs/dbraw/zinc/36/23/92/950362392.db2.gz CWDHFRYNBUHZEU-MRXNPFEDSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576196417 950362414 /nfs/dbraw/zinc/36/24/14/950362414.db2.gz CWDHFRYNBUHZEU-MRXNPFEDSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576196417 950362435 /nfs/dbraw/zinc/36/24/35/950362435.db2.gz CWDHFRYNBUHZEU-MRXNPFEDSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576197432 950389993 /nfs/dbraw/zinc/38/99/93/950389993.db2.gz NMZGTPRBMTYYPE-UONOGXRCSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576202562 950431849 /nfs/dbraw/zinc/43/18/49/950431849.db2.gz BBVBBXWCYVGVDH-KBXCAEBGSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576204713 950472265 /nfs/dbraw/zinc/47/22/65/950472265.db2.gz AYGGZNJVHZOAGI-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576204713 950472282 /nfs/dbraw/zinc/47/22/82/950472282.db2.gz AYGGZNJVHZOAGI-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576204713 950472296 /nfs/dbraw/zinc/47/22/96/950472296.db2.gz AYGGZNJVHZOAGI-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)C1 ZINC001576208070 950606949 /nfs/dbraw/zinc/60/69/49/950606949.db2.gz MBIAXZWPRCHXQF-GPMSIDNRSA-N 2 1 397.527 1.393 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)C1 ZINC001576208070 950606959 /nfs/dbraw/zinc/60/69/59/950606959.db2.gz MBIAXZWPRCHXQF-GPMSIDNRSA-N 2 1 397.527 1.393 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)C1 ZINC001576208070 950606970 /nfs/dbraw/zinc/60/69/70/950606970.db2.gz MBIAXZWPRCHXQF-GPMSIDNRSA-N 2 1 397.527 1.393 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576216421 950730900 /nfs/dbraw/zinc/73/09/00/950730900.db2.gz YZBUTAGOAPAVCI-BPLDGKMQSA-N 2 1 387.463 1.084 20 0 GDADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081815 951726771 /nfs/dbraw/zinc/72/67/71/951726771.db2.gz VYFDKXMCJASWCP-CYBMUJFWSA-N 2 1 377.468 1.188 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082386 951734492 /nfs/dbraw/zinc/73/44/92/951734492.db2.gz YAZZSKORZPTKOQ-WOSRLPQWSA-N 2 1 389.479 1.188 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120505 952504627 /nfs/dbraw/zinc/50/46/27/952504627.db2.gz MMCUNLVGPMFNEZ-UPJWGTAASA-N 2 1 375.502 1.007 20 0 GDADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571234223 953199632 /nfs/dbraw/zinc/19/96/32/953199632.db2.gz QCBYTYALVBNQDO-RDTXWAMCSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234312 953200453 /nfs/dbraw/zinc/20/04/53/953200453.db2.gz UCVDWXOKNLABOE-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234312 953200456 /nfs/dbraw/zinc/20/04/56/953200456.db2.gz UCVDWXOKNLABOE-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234312 953200461 /nfs/dbraw/zinc/20/04/61/953200461.db2.gz UCVDWXOKNLABOE-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)[NH+](C)C ZINC001571234477 953202402 /nfs/dbraw/zinc/20/24/02/953202402.db2.gz ZFRXRFSYHACWLG-OKZBNKHCSA-N 2 1 383.500 1.240 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001571251793 953319371 /nfs/dbraw/zinc/31/93/71/953319371.db2.gz ABJJGWDYCXNIQT-CABCVRRESA-N 2 1 384.488 1.031 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001571251793 953319375 /nfs/dbraw/zinc/31/93/75/953319375.db2.gz ABJJGWDYCXNIQT-CABCVRRESA-N 2 1 384.488 1.031 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001571252688 953331957 /nfs/dbraw/zinc/33/19/57/953331957.db2.gz UCSXUHJPNJJWAD-CABCVRRESA-N 2 1 384.488 1.173 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001571252688 953331962 /nfs/dbraw/zinc/33/19/62/953331962.db2.gz UCSXUHJPNJJWAD-CABCVRRESA-N 2 1 384.488 1.173 20 0 GDADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCCS(C)(=O)=O)CC1 ZINC000163693383 530577260 /nfs/dbraw/zinc/57/72/60/530577260.db2.gz RHOZZLYSIMACIE-UHFFFAOYSA-N 2 1 375.579 1.227 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)cnc1N ZINC000178949584 530732381 /nfs/dbraw/zinc/73/23/81/530732381.db2.gz WBTOQKDYZVPTFQ-AWEZNQCLSA-N 2 1 389.953 1.354 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000261804055 531099398 /nfs/dbraw/zinc/09/93/98/531099398.db2.gz FXCOEDGLPBOGSO-ZDUSSCGKSA-N 2 1 382.302 1.671 20 0 GDADMP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000435735886 531268861 /nfs/dbraw/zinc/26/88/61/531268861.db2.gz REWKHXVJFRBFHG-CVEARBPZSA-N 2 1 386.587 1.535 20 0 GDADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000435735886 531268866 /nfs/dbraw/zinc/26/88/66/531268866.db2.gz REWKHXVJFRBFHG-CVEARBPZSA-N 2 1 386.587 1.535 20 0 GDADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000473997424 531265649 /nfs/dbraw/zinc/26/56/49/531265649.db2.gz XBNRTGKAKWJUCS-KRWDZBQOSA-N 2 1 384.318 1.442 20 0 GDADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000473997424 531265658 /nfs/dbraw/zinc/26/56/58/531265658.db2.gz XBNRTGKAKWJUCS-KRWDZBQOSA-N 2 1 384.318 1.442 20 0 GDADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CCS(=O)(=O)CC1 ZINC000527513553 531326844 /nfs/dbraw/zinc/32/68/44/531326844.db2.gz CYVWYSCOUMYUSE-NVXWUHKLSA-N 2 1 385.599 1.840 20 0 GDADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C[C@H]1[NH3+] ZINC000415835484 531540196 /nfs/dbraw/zinc/54/01/96/531540196.db2.gz JILHHMWWVHHTBR-QMTHXVAHSA-N 2 1 383.290 1.255 20 0 GDADMP CN(CCC[NH+](C)C)CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662632879 531691083 /nfs/dbraw/zinc/69/10/83/531691083.db2.gz VNJJMRXWGIWCOK-UHFFFAOYSA-N 2 1 389.363 1.727 20 0 GDADMP C[NH+](C)CCOCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000562498721 531759735 /nfs/dbraw/zinc/75/97/35/531759735.db2.gz IEXFRIQZVMDSFN-CQSZACIVSA-N 2 1 391.331 1.835 20 0 GDADMP C[N@@H+](C[C@@H](O)CNCCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000563010266 531796931 /nfs/dbraw/zinc/79/69/31/531796931.db2.gz DMGOYJNOVMPJLM-LBPRGKRZSA-N 2 1 396.340 1.316 20 0 GDADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000623657254 531818827 /nfs/dbraw/zinc/81/88/27/531818827.db2.gz MGZBOBONPAYMGI-CYBMUJFWSA-N 2 1 390.347 1.918 20 0 GDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000623657254 531818832 /nfs/dbraw/zinc/81/88/32/531818832.db2.gz MGZBOBONPAYMGI-CYBMUJFWSA-N 2 1 390.347 1.918 20 0 GDADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595950371 531896041 /nfs/dbraw/zinc/89/60/41/531896041.db2.gz KZQULNJFHXUFRR-CBAPKCEASA-N 2 1 391.278 1.684 20 0 GDADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731021 532065768 /nfs/dbraw/zinc/06/57/68/532065768.db2.gz YPIFASHXBZIXDN-ZACQAIPSSA-N 2 1 399.329 1.950 20 0 GDADMP CCN(C)C[C@@H](O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731021 532065774 /nfs/dbraw/zinc/06/57/74/532065774.db2.gz YPIFASHXBZIXDN-ZACQAIPSSA-N 2 1 399.329 1.950 20 0 GDADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731021 532065779 /nfs/dbraw/zinc/06/57/79/532065779.db2.gz YPIFASHXBZIXDN-ZACQAIPSSA-N 2 1 399.329 1.950 20 0 GDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000359928797 206270456 /nfs/dbraw/zinc/27/04/56/206270456.db2.gz ZWRZGOXYYAQJQL-CABCVRRESA-N 2 1 384.484 1.751 20 0 GDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000359928797 206270461 /nfs/dbraw/zinc/27/04/61/206270461.db2.gz ZWRZGOXYYAQJQL-CABCVRRESA-N 2 1 384.484 1.751 20 0 GDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736225336 598523018 /nfs/dbraw/zinc/52/30/18/598523018.db2.gz BNMXSDGCOQRQJO-XHSDSOJGSA-N 2 1 387.536 1.453 20 0 GDADMP C[C@@H]1C[C@H](Nc2ncnc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183568 604459401 /nfs/dbraw/zinc/45/94/01/604459401.db2.gz JDQTUHMVLAOTGS-KBUPBQIOSA-N 2 1 376.505 1.964 20 0 GDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000821596455 606098209 /nfs/dbraw/zinc/09/82/09/606098209.db2.gz KRJJVRDDTWFJHU-MRXNPFEDSA-N 2 1 383.500 1.859 20 0 GDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000821596455 606098211 /nfs/dbraw/zinc/09/82/11/606098211.db2.gz KRJJVRDDTWFJHU-MRXNPFEDSA-N 2 1 383.500 1.859 20 0 GDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000821596455 606098214 /nfs/dbraw/zinc/09/82/14/606098214.db2.gz KRJJVRDDTWFJHU-MRXNPFEDSA-N 2 1 383.500 1.859 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000131087236 644743458 /nfs/dbraw/zinc/74/34/58/644743458.db2.gz VKJSEYFDFXVJGQ-ZDUSSCGKSA-N 2 1 377.942 1.110 20 0 GDADMP O[C@H](CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1)COc1ccc(Br)cc1 ZINC000320755598 645253913 /nfs/dbraw/zinc/25/39/13/645253913.db2.gz IVKZSDHFWFHIAE-UXLLHSPISA-N 2 1 385.302 1.642 20 0 GDADMP O[C@H](CNC[C@H]1C[N@H+]2CCC[C@H]2CO1)COc1ccc(Br)cc1 ZINC000320755598 645253918 /nfs/dbraw/zinc/25/39/18/645253918.db2.gz IVKZSDHFWFHIAE-UXLLHSPISA-N 2 1 385.302 1.642 20 0 GDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000442762455 647162880 /nfs/dbraw/zinc/16/28/80/647162880.db2.gz QSGSCDFFZYFOEU-KBPBESRZSA-N 2 1 384.318 1.955 20 0 GDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000442762455 647162882 /nfs/dbraw/zinc/16/28/82/647162882.db2.gz QSGSCDFFZYFOEU-KBPBESRZSA-N 2 1 384.318 1.955 20 0 GDADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000514127650 648449479 /nfs/dbraw/zinc/44/94/79/648449479.db2.gz XPLIPXQGWBVEGG-SFHVURJKSA-N 2 1 375.579 1.338 20 0 GDADMP C[C@H]1C[NH2+]CCN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595918392 652426453 /nfs/dbraw/zinc/42/64/53/652426453.db2.gz ATSGJESVSVNCPZ-ZETCQYMHSA-N 2 1 377.251 1.390 20 0 GDADMP C[NH2+]C[C@@H]1CCCN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595924853 652427286 /nfs/dbraw/zinc/42/72/86/652427286.db2.gz RFWGBXFTGSHJRH-QMMMGPOBSA-N 2 1 391.278 1.780 20 0 GDADMP C[NH+](C)CCCNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595945421 652428465 /nfs/dbraw/zinc/42/84/65/652428465.db2.gz MZVQJGKKPXGEKC-UHFFFAOYSA-N 2 1 379.267 1.637 20 0 GDADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]([NH3+])c3ccccc3Br)CC2)C1 ZINC000662461891 654294183 /nfs/dbraw/zinc/29/41/83/654294183.db2.gz FKATZLKZDQUCMB-WMLDXEAASA-N 2 1 395.345 1.687 20 0 GDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]([NH3+])c3ccccc3Br)CC2)C1 ZINC000662461891 654294188 /nfs/dbraw/zinc/29/41/88/654294188.db2.gz FKATZLKZDQUCMB-WMLDXEAASA-N 2 1 395.345 1.687 20 0 GDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2ccc(Br)cc2)C1 ZINC000779647013 654765864 /nfs/dbraw/zinc/76/58/64/654765864.db2.gz XZYZTUAWPVJCIZ-CQSZACIVSA-N 2 1 399.289 1.995 20 0 GDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2ccc(Br)cc2)C1 ZINC000779647013 654765867 /nfs/dbraw/zinc/76/58/67/654765867.db2.gz XZYZTUAWPVJCIZ-CQSZACIVSA-N 2 1 399.289 1.995 20 0 GDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1ccccc1Br ZINC000849096170 655517309 /nfs/dbraw/zinc/51/73/09/655517309.db2.gz GQPSILICXQYIPL-KBPBESRZSA-N 2 1 399.333 1.787 20 0 GDADMP COc1ccc(Br)c(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866711414 655956016 /nfs/dbraw/zinc/95/60/16/655956016.db2.gz KBRVJRKMCQNIDX-WQVCFCJDSA-N 2 1 396.285 1.825 20 0 GDADMP COc1ccc(Br)c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866711414 655956018 /nfs/dbraw/zinc/95/60/18/655956018.db2.gz KBRVJRKMCQNIDX-WQVCFCJDSA-N 2 1 396.285 1.825 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1Br ZINC000927853698 656845301 /nfs/dbraw/zinc/84/53/01/656845301.db2.gz QIZJYBPOQYMRPU-CQSZACIVSA-N 2 1 397.317 1.645 20 0 GDADMP CC[NH+](CC)CCOCC[NH2+]Cc1c(I)cnn1C ZINC000894456601 658561690 /nfs/dbraw/zinc/56/16/90/658561690.db2.gz UICCFCCSCKXKCB-UHFFFAOYSA-N 2 1 380.274 1.473 20 0 GDADMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1c(I)cnn1C ZINC000894484156 658567625 /nfs/dbraw/zinc/56/76/25/658567625.db2.gz QVKWRIZEVFYRAJ-LBPRGKRZSA-N 2 1 391.301 1.140 20 0 GDADMP CN(CCCN1CC[NH+](C)CC1)Cc1sc(N2CCOCC2)nc1Cl ZINC000894769290 658608901 /nfs/dbraw/zinc/60/89/01/658608901.db2.gz BMVSNQZXWMTWII-UHFFFAOYSA-N 2 1 387.981 1.702 20 0 GDADMP O=S(=O)(C[C@H]1CCCC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903561045 659341011 /nfs/dbraw/zinc/34/10/11/659341011.db2.gz DFIAWMRORDCWIM-BMFZPTHFSA-N 2 1 377.501 1.652 20 0 GDADMP O=S(=O)(C[C@H]1CCCC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903561045 659341019 /nfs/dbraw/zinc/34/10/19/659341019.db2.gz DFIAWMRORDCWIM-BMFZPTHFSA-N 2 1 377.501 1.652 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nc3ccccn3c1Br)C2 ZINC000903977510 659391646 /nfs/dbraw/zinc/39/16/46/659391646.db2.gz RFPBKOYAOMLBMY-JKDFXYPNSA-N 2 1 393.285 1.809 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nc3ccccn3c1Br)C2 ZINC000903977510 659391657 /nfs/dbraw/zinc/39/16/57/659391657.db2.gz RFPBKOYAOMLBMY-JKDFXYPNSA-N 2 1 393.285 1.809 20 0 GDADMP c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(OC3CC[NH2+]CC3)nn2)c1 ZINC001164735906 720445987 /nfs/dbraw/zinc/44/59/87/720445987.db2.gz ZFYAFMBUDGMPLI-RTBURBONSA-N 2 1 380.496 1.856 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@@H]3C2)c1 ZINC001164981687 722100148 /nfs/dbraw/zinc/10/01/48/722100148.db2.gz LYMQUCKRPRNGGU-WIYYLYMNSA-N 2 1 394.523 1.287 20 0 GDADMP Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc(N(C)C)[nH+]1 ZINC001164982742 722103161 /nfs/dbraw/zinc/10/31/61/722103161.db2.gz OHSDZIDQASJDQX-MOPGFXCFSA-N 2 1 382.512 1.973 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164982742 722103168 /nfs/dbraw/zinc/10/31/68/722103168.db2.gz OHSDZIDQASJDQX-MOPGFXCFSA-N 2 1 382.512 1.973 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164982742 722103169 /nfs/dbraw/zinc/10/31/69/722103169.db2.gz OHSDZIDQASJDQX-MOPGFXCFSA-N 2 1 382.512 1.973 20 0 GDADMP O=C1COc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2N1 ZINC001164983632 722120557 /nfs/dbraw/zinc/12/05/57/722120557.db2.gz YRXVXPOGCMUIMK-FUHWJXTLSA-N 2 1 395.463 1.535 20 0 GDADMP O=C1COc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2N1 ZINC001164983632 722120558 /nfs/dbraw/zinc/12/05/58/722120558.db2.gz YRXVXPOGCMUIMK-FUHWJXTLSA-N 2 1 395.463 1.535 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281946 945820571 /nfs/dbraw/zinc/82/05/71/945820571.db2.gz CAPJUMQQMMFJHV-DZGCQCFKSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282769 945862669 /nfs/dbraw/zinc/86/26/69/945862669.db2.gz QHSZVHYDSXIYPL-PBHICJAKSA-N 2 1 387.463 1.181 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C(C)(C)C2)C1 ZINC001571294346 946131500 /nfs/dbraw/zinc/13/15/00/946131500.db2.gz GKWUNBKUGWBUSN-SWLSCSKDSA-N 2 1 389.529 1.207 20 0 GDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826331091 947963584 /nfs/dbraw/zinc/96/35/84/947963584.db2.gz UNTQTSKVYKKXEO-GOSISDBHSA-N 2 1 394.483 1.889 20 0 GDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826331091 947963588 /nfs/dbraw/zinc/96/35/88/947963588.db2.gz UNTQTSKVYKKXEO-GOSISDBHSA-N 2 1 394.483 1.889 20 0 GDADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574432966 948945372 /nfs/dbraw/zinc/94/53/72/948945372.db2.gz QVVSNLRLZROHCH-AWEZNQCLSA-N 2 1 382.472 1.481 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574925601 948974247 /nfs/dbraw/zinc/97/42/47/948974247.db2.gz BMQZJSIHGLEQIG-ZDUSSCGKSA-N 2 1 375.452 1.038 20 0 GDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574704401 949384706 /nfs/dbraw/zinc/38/47/06/949384706.db2.gz BZDSJZSXJLZHFH-QAPCUYQASA-N 2 1 385.516 1.676 20 0 GDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575264177 949416955 /nfs/dbraw/zinc/41/69/55/949416955.db2.gz MJAWXJIIAWUAJT-PXAZEXFGSA-N 2 1 387.463 1.037 20 0 GDADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575878829 949683854 /nfs/dbraw/zinc/68/38/54/949683854.db2.gz PNSNRCIMLRNHRO-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574964172 949762804 /nfs/dbraw/zinc/76/28/04/949762804.db2.gz RKXOZTWOSGCOIS-AGIUHOORSA-N 2 1 377.518 1.253 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574964592 949780998 /nfs/dbraw/zinc/78/09/98/949780998.db2.gz YPVGAATWWSBFHL-IHRRRGAJSA-N 2 1 389.479 1.330 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576194286 950338982 /nfs/dbraw/zinc/33/89/82/950338982.db2.gz YQTLUQVDJDDOLF-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196200 950351705 /nfs/dbraw/zinc/35/17/05/950351705.db2.gz ANJPHQMWEUQIQX-DOTOQJQBSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576197279 950388704 /nfs/dbraw/zinc/38/87/04/950388704.db2.gz MQYRLMHTEPQMKU-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576202598 950435900 /nfs/dbraw/zinc/43/59/00/950435900.db2.gz BRHCXEYUWTURLG-CABCVRRESA-N 2 1 383.500 1.145 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204732 950471456 /nfs/dbraw/zinc/47/14/56/950471456.db2.gz BEZQQGGXTJTXGF-NXVRBGIVSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576204797 950476042 /nfs/dbraw/zinc/47/60/42/950476042.db2.gz CORCUCHFHIJKDE-KBPBESRZSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576206273 950565081 /nfs/dbraw/zinc/56/50/81/950565081.db2.gz VWOOFHUKBSJFGJ-UONOGXRCSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576206273 950565101 /nfs/dbraw/zinc/56/51/01/950565101.db2.gz VWOOFHUKBSJFGJ-UONOGXRCSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576206273 950565122 /nfs/dbraw/zinc/56/51/22/950565122.db2.gz VWOOFHUKBSJFGJ-UONOGXRCSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576208687 950615806 /nfs/dbraw/zinc/61/58/06/950615806.db2.gz SMZDRJREJBBSJL-ZOBUZTSGSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574521254 950770927 /nfs/dbraw/zinc/77/09/27/950770927.db2.gz DOAOKDYAVNLZSV-LSDHHAIUSA-N 2 1 385.516 1.724 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575091900 951784928 /nfs/dbraw/zinc/78/49/28/951784928.db2.gz YKNWGIZTDPTORO-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102745 951872610 /nfs/dbraw/zinc/87/26/10/951872610.db2.gz PUEDQZHCCLXQOH-CYBMUJFWSA-N 2 1 389.479 1.332 20 0 GDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571234046 953198490 /nfs/dbraw/zinc/19/84/90/953198490.db2.gz LOGZEWWMZNUFCS-ABHNRTSZSA-N 2 1 383.500 1.430 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234309 953200564 /nfs/dbraw/zinc/20/05/64/953200564.db2.gz UCVDWXOKNLABOE-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234309 953200567 /nfs/dbraw/zinc/20/05/67/953200567.db2.gz UCVDWXOKNLABOE-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234309 953200572 /nfs/dbraw/zinc/20/05/72/953200572.db2.gz UCVDWXOKNLABOE-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234541 953203210 /nfs/dbraw/zinc/20/32/10/953203210.db2.gz BGURPCCNUMNYDN-AEFFLSMTSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235069 953208828 /nfs/dbraw/zinc/20/88/28/953208828.db2.gz RSCRNXPYFYGLSR-IRXDYDNUSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571235199 953209428 /nfs/dbraw/zinc/20/94/28/953209428.db2.gz WPSRQXCRNPNKIY-WMZOPIPTSA-N 2 1 383.500 1.432 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235259 953210830 /nfs/dbraw/zinc/21/08/30/953210830.db2.gz YNPSZERRFWBSFG-DLBZAZTESA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235259 953210833 /nfs/dbraw/zinc/21/08/33/953210833.db2.gz YNPSZERRFWBSFG-DLBZAZTESA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235259 953210837 /nfs/dbraw/zinc/21/08/37/953210837.db2.gz YNPSZERRFWBSFG-DLBZAZTESA-N 2 1 383.500 1.289 20 0 GDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571249655 953306271 /nfs/dbraw/zinc/30/62/71/953306271.db2.gz KEGLFCRAZXBJBU-RHSMWYFYSA-N 2 1 384.488 1.077 20 0 GDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571249655 953306276 /nfs/dbraw/zinc/30/62/76/953306276.db2.gz KEGLFCRAZXBJBU-RHSMWYFYSA-N 2 1 384.488 1.077 20 0 GDADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000171656580 530601267 /nfs/dbraw/zinc/60/12/67/530601267.db2.gz RDLHPBYRMPJPOO-UHFFFAOYSA-N 2 1 386.949 1.408 20 0 GDADMP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000261869021 531101631 /nfs/dbraw/zinc/10/16/31/531101631.db2.gz CYKKBORBKZVQLD-ZACQAIPSSA-N 2 1 396.329 1.926 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000414354265 531443757 /nfs/dbraw/zinc/44/37/57/531443757.db2.gz XESNGPPOIPVIAR-AWEZNQCLSA-N 2 1 375.922 1.314 20 0 GDADMP C[C@@]([NH3+])(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)cc1 ZINC000294122463 531463549 /nfs/dbraw/zinc/46/35/49/531463549.db2.gz PCEBXDMNAREEKP-YOEHRIQHSA-N 2 1 397.317 1.079 20 0 GDADMP C[N@@H+](C[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1)C1CC1 ZINC000641222038 531789789 /nfs/dbraw/zinc/78/97/89/531789789.db2.gz JNROVYITTBHKNR-GOEBONIOSA-N 2 1 380.290 1.544 20 0 GDADMP C[C@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)[C@@H](C)C[NH2+]1 ZINC000595948358 531895343 /nfs/dbraw/zinc/89/53/43/531895343.db2.gz QVZMXEKBCRHHJJ-YUMQZZPRSA-N 2 1 391.278 1.778 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000470023859 532082296 /nfs/dbraw/zinc/08/22/96/532082296.db2.gz GIDFHTBMFYBMRZ-CYBMUJFWSA-N 2 1 398.301 1.507 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000470023859 532082298 /nfs/dbraw/zinc/08/22/98/532082298.db2.gz GIDFHTBMFYBMRZ-CYBMUJFWSA-N 2 1 398.301 1.507 20 0 GDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC1CCOCC1 ZINC000431554251 532268160 /nfs/dbraw/zinc/26/81/60/532268160.db2.gz ZHONASSJWYEBSF-SFHVURJKSA-N 2 1 375.579 1.481 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC1CCOCC1 ZINC000431554251 532268162 /nfs/dbraw/zinc/26/81/62/532268162.db2.gz ZHONASSJWYEBSF-SFHVURJKSA-N 2 1 375.579 1.481 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]C(C)(C)COc2ncccc2Br)CC1 ZINC000275229384 532278915 /nfs/dbraw/zinc/27/89/15/532278915.db2.gz LBJYNZACURTJPU-UHFFFAOYSA-N 2 1 399.333 1.755 20 0 GDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000359928798 206270677 /nfs/dbraw/zinc/27/06/77/206270677.db2.gz ZWRZGOXYYAQJQL-HUUCEWRRSA-N 2 1 384.484 1.751 20 0 GDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000359928798 206270681 /nfs/dbraw/zinc/27/06/81/206270681.db2.gz ZWRZGOXYYAQJQL-HUUCEWRRSA-N 2 1 384.484 1.751 20 0 GDADMP Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000826250614 607668968 /nfs/dbraw/zinc/66/89/68/607668968.db2.gz JFYCGERSAVBRIP-UHFFFAOYSA-N 2 1 378.440 1.574 20 0 GDADMP C[C@@H]1C[N@@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824983986 608170725 /nfs/dbraw/zinc/17/07/25/608170725.db2.gz FLXMOTVYQRZEIL-XLIONFOSSA-N 2 1 399.543 1.593 20 0 GDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826390292 608509794 /nfs/dbraw/zinc/50/97/94/608509794.db2.gz VYBHHZKSCHNMRQ-WMZOPIPTSA-N 2 1 383.500 1.421 20 0 GDADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1cccc(Br)c1 ZINC000567110439 650886051 /nfs/dbraw/zinc/88/60/51/650886051.db2.gz DZJLRAGEYAXHGJ-HOTGVXAUSA-N 2 1 387.318 1.625 20 0 GDADMP O[C@H](CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1cccc(Br)c1 ZINC000320872550 645253974 /nfs/dbraw/zinc/25/39/74/645253974.db2.gz ZMEFHXRMWBBVLL-INMHGKMJSA-N 2 1 385.302 1.642 20 0 GDADMP O[C@H](CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1)COc1cccc(Br)c1 ZINC000320872550 645253979 /nfs/dbraw/zinc/25/39/79/645253979.db2.gz ZMEFHXRMWBBVLL-INMHGKMJSA-N 2 1 385.302 1.642 20 0 GDADMP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1OC ZINC000420350975 645941467 /nfs/dbraw/zinc/94/14/67/645941467.db2.gz VKQFCEHPIXQJEH-CQSZACIVSA-N 2 1 384.318 1.946 20 0 GDADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1OC ZINC000420350975 645941468 /nfs/dbraw/zinc/94/14/68/645941468.db2.gz VKQFCEHPIXQJEH-CQSZACIVSA-N 2 1 384.318 1.946 20 0 GDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000442762459 647162785 /nfs/dbraw/zinc/16/27/85/647162785.db2.gz QSGSCDFFZYFOEU-KGLIPLIRSA-N 2 1 384.318 1.955 20 0 GDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000442762459 647162787 /nfs/dbraw/zinc/16/27/87/647162787.db2.gz QSGSCDFFZYFOEU-KGLIPLIRSA-N 2 1 384.318 1.955 20 0 GDADMP COc1c(Br)cc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1Br ZINC000577828953 651756151 /nfs/dbraw/zinc/75/61/51/651756151.db2.gz AACIGWPVQYSVGC-VIFPVBQESA-N 2 1 382.096 1.972 20 0 GDADMP COc1c(Br)cc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1Br ZINC000577828953 651756154 /nfs/dbraw/zinc/75/61/54/651756154.db2.gz AACIGWPVQYSVGC-VIFPVBQESA-N 2 1 382.096 1.972 20 0 GDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3n[nH]cc3Br)CC2)CC1 ZINC000580783577 651939324 /nfs/dbraw/zinc/93/93/24/651939324.db2.gz KMHZADVANVKMFM-UHFFFAOYSA-N 2 1 384.322 2.307 20 0 GDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595952176 652429587 /nfs/dbraw/zinc/42/95/87/652429587.db2.gz YIASWHFTCWWPEQ-CBAPKCEASA-N 2 1 391.278 1.826 20 0 GDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000629653144 653180635 /nfs/dbraw/zinc/18/06/35/653180635.db2.gz FZNFDVCYNLVKFQ-UHFFFAOYSA-N 2 1 386.334 1.954 20 0 GDADMP C[C@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000642808432 653579451 /nfs/dbraw/zinc/57/94/51/653579451.db2.gz OZBPHDFDHXGYHF-NSHDSACASA-N 2 1 387.311 1.537 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1Br ZINC000652634143 653894748 /nfs/dbraw/zinc/89/47/48/653894748.db2.gz RSSQWSJEDONEOA-UHFFFAOYSA-N 2 1 397.317 1.694 20 0 GDADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)CC2)C1 ZINC000662461888 654294153 /nfs/dbraw/zinc/29/41/53/654294153.db2.gz FKATZLKZDQUCMB-PBHICJAKSA-N 2 1 395.345 1.687 20 0 GDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)CC2)C1 ZINC000662461888 654294155 /nfs/dbraw/zinc/29/41/55/654294155.db2.gz FKATZLKZDQUCMB-PBHICJAKSA-N 2 1 395.345 1.687 20 0 GDADMP COCCC[N@H+](C)CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662474879 654295195 /nfs/dbraw/zinc/29/51/95/654295195.db2.gz FCYSKQYVNDNWMZ-UHFFFAOYSA-N 2 1 376.320 1.812 20 0 GDADMP COCCC[N@@H+](C)CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662474879 654295197 /nfs/dbraw/zinc/29/51/97/654295197.db2.gz FCYSKQYVNDNWMZ-UHFFFAOYSA-N 2 1 376.320 1.812 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ncn(C)c1Cl ZINC000725830375 654843344 /nfs/dbraw/zinc/84/33/44/654843344.db2.gz FIJJLALETMUDNN-ZDUSSCGKSA-N 2 1 377.942 1.110 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2I)C1 ZINC000843048039 655387319 /nfs/dbraw/zinc/38/73/19/655387319.db2.gz JTOGOOXWENHJLX-ZDUSSCGKSA-N 2 1 387.265 1.578 20 0 GDADMP [NH3+][C@@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000877328905 656667345 /nfs/dbraw/zinc/66/73/45/656667345.db2.gz OBVSHGDRPOIKDH-SWLSCSKDSA-N 2 1 382.302 1.724 20 0 GDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789385 656984459 /nfs/dbraw/zinc/98/44/59/656984459.db2.gz DRKHFZWIFLFNCV-HOTGVXAUSA-N 2 1 375.579 1.262 20 0 GDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789385 656984463 /nfs/dbraw/zinc/98/44/63/656984463.db2.gz DRKHFZWIFLFNCV-HOTGVXAUSA-N 2 1 375.579 1.262 20 0 GDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789385 656984465 /nfs/dbraw/zinc/98/44/65/656984465.db2.gz DRKHFZWIFLFNCV-HOTGVXAUSA-N 2 1 375.579 1.262 20 0 GDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789385 656984467 /nfs/dbraw/zinc/98/44/67/656984467.db2.gz DRKHFZWIFLFNCV-HOTGVXAUSA-N 2 1 375.579 1.262 20 0 GDADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c2c1C ZINC001164401813 718853002 /nfs/dbraw/zinc/85/30/02/718853002.db2.gz CZPTURFQCRLACY-QRWLVFNGSA-N 2 1 387.553 1.922 20 0 GDADMP COC(OC)c1c(CO)ccnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681548 719631126 /nfs/dbraw/zinc/63/11/26/719631126.db2.gz HSXIGGUQTDRETA-UHFFFAOYSA-N 2 1 389.500 1.537 20 0 GDADMP COC(OC)c1c(CO)ccnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681548 719631137 /nfs/dbraw/zinc/63/11/37/719631137.db2.gz HSXIGGUQTDRETA-UHFFFAOYSA-N 2 1 389.500 1.537 20 0 GDADMP COC(=O)CSc1cncc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680598 719645922 /nfs/dbraw/zinc/64/59/22/719645922.db2.gz XRQUWJVSCRZRKI-UHFFFAOYSA-N 2 1 390.513 1.413 20 0 GDADMP COC(=O)CSc1cncc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680598 719645928 /nfs/dbraw/zinc/64/59/28/719645928.db2.gz XRQUWJVSCRZRKI-UHFFFAOYSA-N 2 1 390.513 1.413 20 0 GDADMP CNC(=O)C[N@H+]1CCCC12CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164684612 719735216 /nfs/dbraw/zinc/73/52/16/719735216.db2.gz IODXVRHDGJNXPM-UHFFFAOYSA-N 3 1 386.544 1.190 20 0 GDADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164684612 719735227 /nfs/dbraw/zinc/73/52/27/719735227.db2.gz IODXVRHDGJNXPM-UHFFFAOYSA-N 2 1 386.544 1.190 20 0 GDADMP CNC(=O)C[N@H+]1CCCC12CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164684612 719735234 /nfs/dbraw/zinc/73/52/34/719735234.db2.gz IODXVRHDGJNXPM-UHFFFAOYSA-N 2 1 386.544 1.190 20 0 GDADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)C2 ZINC001164810583 720132131 /nfs/dbraw/zinc/13/21/31/720132131.db2.gz KDDIDQMDIULYCI-YCRPNKLZSA-N 2 1 399.495 1.929 20 0 GDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)C2 ZINC001164810583 720132139 /nfs/dbraw/zinc/13/21/39/720132139.db2.gz KDDIDQMDIULYCI-YCRPNKLZSA-N 2 1 399.495 1.929 20 0 GDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001164812407 720149585 /nfs/dbraw/zinc/14/95/85/720149585.db2.gz AKCXGETYBIHSPO-SIKLNZKXSA-N 2 1 385.556 1.676 20 0 GDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH+]ccc3c2NC(=O)CO3)CC1 ZINC001164830909 720320535 /nfs/dbraw/zinc/32/05/35/720320535.db2.gz QLWISCXKDWNHQZ-HZPDHXFCSA-N 2 1 399.495 1.324 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741218 720816078 /nfs/dbraw/zinc/81/60/78/720816078.db2.gz MLDAVZSQTOTECH-ZIFCJYIRSA-N 2 1 392.511 1.939 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741218 720816079 /nfs/dbraw/zinc/81/60/79/720816079.db2.gz MLDAVZSQTOTECH-ZIFCJYIRSA-N 2 1 392.511 1.939 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCCC4)[nH+]c(C)n3)CC[C@@H]2C1 ZINC001164854275 720836590 /nfs/dbraw/zinc/83/65/90/720836590.db2.gz QYMFQYRHEQLZGB-QZTJIDSGSA-N 2 1 375.517 1.559 20 0 GDADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCCC4)nc(C)[nH+]3)CC[C@@H]2C1 ZINC001164854275 720836591 /nfs/dbraw/zinc/83/65/91/720836591.db2.gz QYMFQYRHEQLZGB-QZTJIDSGSA-N 2 1 375.517 1.559 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCCC4)nc(C)[nH+]3)CC[C@@H]2C1 ZINC001164854275 720836594 /nfs/dbraw/zinc/83/65/94/720836594.db2.gz QYMFQYRHEQLZGB-QZTJIDSGSA-N 2 1 375.517 1.559 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164772699 721088467 /nfs/dbraw/zinc/08/84/67/721088467.db2.gz VTKXOVWENVYSSC-GJZGRUSLSA-N 2 1 387.919 1.468 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)C[C@H]3C2)cn1 ZINC001164762032 721176249 /nfs/dbraw/zinc/17/62/49/721176249.db2.gz BYPOZQGYKLOPGM-RBUKOAKNSA-N 2 1 381.528 1.183 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164770780 721205039 /nfs/dbraw/zinc/20/50/39/721205039.db2.gz OJNIKANRXBYKGL-ROUUACIJSA-N 2 1 397.527 1.299 20 0 GDADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164894071 721389120 /nfs/dbraw/zinc/38/91/20/721389120.db2.gz XEALEZJJZGANTF-KNQAVFIVSA-N 2 1 385.556 1.493 20 0 GDADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571272475 945663757 /nfs/dbraw/zinc/66/37/57/945663757.db2.gz UEMDMWUNDKFNGM-PBHICJAKSA-N 2 1 386.504 1.275 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571282863 945866107 /nfs/dbraw/zinc/86/61/07/945866107.db2.gz SYUKVHVAAJNZSO-JKSUJKDBSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574918633 948854261 /nfs/dbraw/zinc/85/42/61/948854261.db2.gz PFCWKAAWGSYIAE-CYBMUJFWSA-N 2 1 377.468 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574926446 949002149 /nfs/dbraw/zinc/00/21/49/949002149.db2.gz QOHRUNYROOLQTN-CYBMUJFWSA-N 2 1 375.452 1.038 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574704161 949368257 /nfs/dbraw/zinc/36/82/57/949368257.db2.gz ABMSWYZUJNCLDC-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574709263 949504036 /nfs/dbraw/zinc/50/40/36/949504036.db2.gz YUIIVVPAZGFHBB-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575268975 949537998 /nfs/dbraw/zinc/53/79/98/949537998.db2.gz QLPMFOAFUJWGJT-GOEBONIOSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575873735 949585501 /nfs/dbraw/zinc/58/55/01/949585501.db2.gz CDIKBUKWUONTGW-MAUKXSAKSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575879758 949694967 /nfs/dbraw/zinc/69/49/67/949694967.db2.gz RKNBEGKOEJVNNX-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575879758 949694987 /nfs/dbraw/zinc/69/49/87/949694987.db2.gz RKNBEGKOEJVNNX-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576170337 949715140 /nfs/dbraw/zinc/71/51/40/949715140.db2.gz KIBXAJFSJWNJEQ-WMLDXEAASA-N 2 1 386.504 1.063 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575881485 949722942 /nfs/dbraw/zinc/72/29/42/949722942.db2.gz YODOFCQMFHIITO-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574718462 949779627 /nfs/dbraw/zinc/77/96/27/949779627.db2.gz XOQONDQFMYWCGG-MAUKXSAKSA-N 2 1 385.516 1.678 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574151220 950064005 /nfs/dbraw/zinc/06/40/05/950064005.db2.gz NUAZVKIMKXNVBB-MSOLQXFVSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574741153 950235083 /nfs/dbraw/zinc/23/50/83/950235083.db2.gz HBAFLSGWOHGHLQ-MPGHIAIKSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192345 950238165 /nfs/dbraw/zinc/23/81/65/950238165.db2.gz LYNHROGRFYQRES-RWBZWWBESA-N 2 1 383.500 1.288 20 0 GDADMP CC1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001576196670 950368423 /nfs/dbraw/zinc/36/84/23/950368423.db2.gz FQORXKFHLFNBGD-UHFFFAOYSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576196982 950381143 /nfs/dbraw/zinc/38/11/43/950381143.db2.gz KXCKFLQWHWTLAL-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576205047 950491473 /nfs/dbraw/zinc/49/14/73/950491473.db2.gz FXOLBECTUDJTKK-HIFRSBDPSA-N 2 1 391.545 1.500 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574774030 950997125 /nfs/dbraw/zinc/99/71/25/950997125.db2.gz BIRMXTLIWFFABO-LRDDRELGSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574774030 950997144 /nfs/dbraw/zinc/99/71/44/950997144.db2.gz BIRMXTLIWFFABO-LRDDRELGSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574774030 950997162 /nfs/dbraw/zinc/99/71/62/950997162.db2.gz BIRMXTLIWFFABO-LRDDRELGSA-N 2 1 375.452 1.037 20 0 GDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001574774864 951008782 /nfs/dbraw/zinc/00/87/82/951008782.db2.gz FLOHQYBFYPAIDN-GUYCJALGSA-N 2 1 391.495 1.529 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575078923 951686001 /nfs/dbraw/zinc/68/60/01/951686001.db2.gz NVGHDQGJSDNNAJ-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079368 951689998 /nfs/dbraw/zinc/68/99/98/951689998.db2.gz DCDBDUXNAXMSBZ-ZFWWWQNUSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101375 951857963 /nfs/dbraw/zinc/85/79/63/951857963.db2.gz CJOQPNOQBRRAPJ-GZBFAFLISA-N 2 1 389.479 1.188 20 0 GDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571234494 953203077 /nfs/dbraw/zinc/20/30/77/953203077.db2.gz ZSXBJQFPINGVMC-SOLBZPMBSA-N 2 1 383.500 1.478 20 0 GDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235105 953208782 /nfs/dbraw/zinc/20/87/82/953208782.db2.gz SZBRDRZIMILHFJ-SFHVURJKSA-N 2 1 383.500 1.241 20 0 GDADMP Cc1cc(N(C)[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252539 953329483 /nfs/dbraw/zinc/32/94/83/953329483.db2.gz PDONOEKDEIAFPY-HNNXBMFYSA-N 2 1 384.488 1.092 20 0 GDADMP COCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)CC1 ZINC000090580192 530808618 /nfs/dbraw/zinc/80/86/18/530808618.db2.gz AKXAEJCSCJDAEZ-UHFFFAOYSA-N 2 1 375.560 1.344 20 0 GDADMP C[C@@H]1CN(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000521000482 531238125 /nfs/dbraw/zinc/23/81/25/531238125.db2.gz JYOJNCONOXZXCZ-DGCLKSJQSA-N 2 1 397.321 1.407 20 0 GDADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CCS(=O)(=O)CC1 ZINC000527513554 531326649 /nfs/dbraw/zinc/32/66/49/531326649.db2.gz CYVWYSCOUMYUSE-RDJZCZTQSA-N 2 1 385.599 1.840 20 0 GDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000414125050 531431366 /nfs/dbraw/zinc/43/13/66/531431366.db2.gz PXYMRYMLSZMVRW-ZBFHGGJFSA-N 2 1 386.334 1.682 20 0 GDADMP C[N@@H+](C[C@@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1)C1CC1 ZINC000641222035 531789697 /nfs/dbraw/zinc/78/96/97/531789697.db2.gz JNROVYITTBHKNR-GDBMZVCRSA-N 2 1 380.290 1.544 20 0 GDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000641803808 531853742 /nfs/dbraw/zinc/85/37/42/531853742.db2.gz HWMGVWTYYVZMIQ-CHWSQXEVSA-N 2 1 383.290 1.219 20 0 GDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595949438 531895591 /nfs/dbraw/zinc/89/55/91/531895591.db2.gz DKVRNSXQIMMKKD-APPZFPTMSA-N 2 1 391.278 1.684 20 0 GDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595949540 531896070 /nfs/dbraw/zinc/89/60/70/531896070.db2.gz WPOJVKJWNUBRBP-HTQZYQBOSA-N 2 1 391.278 1.765 20 0 GDADMP [NH3+]CCCNC(=O)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000419782339 531969363 /nfs/dbraw/zinc/96/93/63/531969363.db2.gz RGJYIEZFPSJLSK-UHFFFAOYSA-N 2 1 387.311 1.539 20 0 GDADMP [NH3+]C[C@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000600728363 532053530 /nfs/dbraw/zinc/05/35/30/532053530.db2.gz TWHIMEJXRZYODT-DTWKUNHWSA-N 2 1 378.317 1.224 20 0 GDADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000600728363 532053537 /nfs/dbraw/zinc/05/35/37/532053537.db2.gz TWHIMEJXRZYODT-DTWKUNHWSA-N 2 1 378.317 1.224 20 0 GDADMP CN(C)CC[N@@H+](C)CCCN(C)CC(=O)Nc1ccc(Br)cn1 ZINC000289461582 532324926 /nfs/dbraw/zinc/32/49/26/532324926.db2.gz QDQXRRNEEUPWNX-UHFFFAOYSA-N 2 1 386.338 1.598 20 0 GDADMP CN(CCCN(C)CC(=O)Nc1ccc(Br)cn1)CC[NH+](C)C ZINC000289461582 532324927 /nfs/dbraw/zinc/32/49/27/532324927.db2.gz QDQXRRNEEUPWNX-UHFFFAOYSA-N 2 1 386.338 1.598 20 0 GDADMP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000737549722 598749687 /nfs/dbraw/zinc/74/96/87/598749687.db2.gz YASPRGILYICUSK-GFCCVEGCSA-N 2 1 375.477 1.677 20 0 GDADMP C[N@@H+](CCNC(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000736800339 598784012 /nfs/dbraw/zinc/78/40/12/598784012.db2.gz KFIUYELJAYVFPL-UHFFFAOYSA-N 2 1 398.515 1.178 20 0 GDADMP C[NH+](CCNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000736800339 598784013 /nfs/dbraw/zinc/78/40/13/598784013.db2.gz KFIUYELJAYVFPL-UHFFFAOYSA-N 2 1 398.515 1.178 20 0 GDADMP C[NH+](CCNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000736800339 598784014 /nfs/dbraw/zinc/78/40/14/598784014.db2.gz KFIUYELJAYVFPL-UHFFFAOYSA-N 2 1 398.515 1.178 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000825850813 607525233 /nfs/dbraw/zinc/52/52/33/607525233.db2.gz SGVSTCACVYIVNV-NEWSRXKRSA-N 2 1 386.500 1.819 20 0 GDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)CC)CC2)[C@@H](C)C1 ZINC000539065550 650327625 /nfs/dbraw/zinc/32/76/25/650327625.db2.gz INXISLDAXMQREF-FUHWJXTLSA-N 2 1 375.579 1.527 20 0 GDADMP CN(CCC[NH3+])C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000568972567 650978762 /nfs/dbraw/zinc/97/87/62/650978762.db2.gz CUCCTSXMZAXWGA-UHFFFAOYSA-N 2 1 385.310 1.408 20 0 GDADMP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351628 645941515 /nfs/dbraw/zinc/94/15/15/645941515.db2.gz XRDHVUWCYPAAGX-CZUORRHYSA-N 2 1 381.318 1.756 20 0 GDADMP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351628 645941516 /nfs/dbraw/zinc/94/15/16/645941516.db2.gz XRDHVUWCYPAAGX-CZUORRHYSA-N 2 1 381.318 1.756 20 0 GDADMP C[N@H+](C[C@H](O)C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C1CC1 ZINC000578619270 651800623 /nfs/dbraw/zinc/80/06/23/651800623.db2.gz INKVKGXDBPTKMI-CQSZACIVSA-N 2 1 375.922 1.053 20 0 GDADMP C[N@@H+](C[C@H](O)C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C1CC1 ZINC000578619270 651800634 /nfs/dbraw/zinc/80/06/34/651800634.db2.gz INKVKGXDBPTKMI-CQSZACIVSA-N 2 1 375.922 1.053 20 0 GDADMP CC[NH2+]CCCNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595919094 652426569 /nfs/dbraw/zinc/42/65/69/652426569.db2.gz HPIJUVVBTGEOFP-UHFFFAOYSA-N 2 1 379.267 1.685 20 0 GDADMP C[C@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC[C@H]1[NH3+] ZINC000595924651 652427283 /nfs/dbraw/zinc/42/72/83/652427283.db2.gz OYAXYBDASQLTAZ-IONNQARKSA-N 2 1 391.278 1.765 20 0 GDADMP [NH3+][C@H]1CCC[C@@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595952127 652429582 /nfs/dbraw/zinc/42/95/82/652429582.db2.gz XLZNKVYCSAZYMN-JGVFFNPUSA-N 2 1 391.278 1.956 20 0 GDADMP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@H]1C[NH3+] ZINC000631839580 653258309 /nfs/dbraw/zinc/25/83/09/653258309.db2.gz IAVNZATWTQPMDZ-CHWSQXEVSA-N 2 1 386.327 1.564 20 0 GDADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@H]1C[NH3+] ZINC000631839580 653258313 /nfs/dbraw/zinc/25/83/13/653258313.db2.gz IAVNZATWTQPMDZ-CHWSQXEVSA-N 2 1 386.327 1.564 20 0 GDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000633039506 653423473 /nfs/dbraw/zinc/42/34/73/653423473.db2.gz LEHLPMGMZRWHIV-ZYHUDNBSSA-N 2 1 383.290 1.397 20 0 GDADMP COc1nsc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1Br ZINC000638548382 653539396 /nfs/dbraw/zinc/53/93/96/653539396.db2.gz BMWHJXDXHVZZPF-LLVKDONJSA-N 2 1 377.352 1.887 20 0 GDADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000642808431 653579436 /nfs/dbraw/zinc/57/94/36/653579436.db2.gz OZBPHDFDHXGYHF-LLVKDONJSA-N 2 1 387.311 1.537 20 0 GDADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817952131 655362869 /nfs/dbraw/zinc/36/28/69/655362869.db2.gz CEPALEGIZPPISW-AWEZNQCLSA-N 2 1 391.559 1.451 20 0 GDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000818083054 655365880 /nfs/dbraw/zinc/36/58/80/655365880.db2.gz SZOYXVUYRVQHMO-CYBMUJFWSA-N 2 1 390.531 1.106 20 0 GDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000818083054 655365881 /nfs/dbraw/zinc/36/58/81/655365881.db2.gz SZOYXVUYRVQHMO-CYBMUJFWSA-N 2 1 390.531 1.106 20 0 GDADMP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000851763320 655593822 /nfs/dbraw/zinc/59/38/22/655593822.db2.gz PAATTYBEPYNIRI-IAGOWNOFSA-N 2 1 377.466 1.673 20 0 GDADMP [NH3+]C[C@H]1CC(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)=NO1 ZINC000852872029 655624718 /nfs/dbraw/zinc/62/47/18/655624718.db2.gz GWMIFNOYKWSVLK-OAHLLOKOSA-N 2 1 395.301 1.633 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nccn2c(Br)cnc12 ZINC000855346160 655692428 /nfs/dbraw/zinc/69/24/28/655692428.db2.gz PPMIBPKCFMYTGV-LBPRGKRZSA-N 2 1 397.321 1.494 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nccn2c(Br)cnc12 ZINC000855346160 655692430 /nfs/dbraw/zinc/69/24/30/655692430.db2.gz PPMIBPKCFMYTGV-LBPRGKRZSA-N 2 1 397.321 1.494 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnc(F)c(Br)c1 ZINC000855346879 655692484 /nfs/dbraw/zinc/69/24/84/655692484.db2.gz MYGSNWBVICDJQY-NSHDSACASA-N 2 1 375.286 1.985 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnc(F)c(Br)c1 ZINC000855346879 655692486 /nfs/dbraw/zinc/69/24/86/655692486.db2.gz MYGSNWBVICDJQY-NSHDSACASA-N 2 1 375.286 1.985 20 0 GDADMP COc1cc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c(Br)cn1 ZINC000857243669 655731817 /nfs/dbraw/zinc/73/18/17/655731817.db2.gz STMFNSYJPYLFCK-ZDUSSCGKSA-N 2 1 387.278 1.960 20 0 GDADMP COc1cc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c(Br)cn1 ZINC000857243669 655731819 /nfs/dbraw/zinc/73/18/19/655731819.db2.gz STMFNSYJPYLFCK-ZDUSSCGKSA-N 2 1 387.278 1.960 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000923413137 656551413 /nfs/dbraw/zinc/55/14/13/656551413.db2.gz CBWAPYZMKMZCLJ-FZKCQIBNSA-N 2 1 396.285 1.349 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000923413137 656551416 /nfs/dbraw/zinc/55/14/16/656551416.db2.gz CBWAPYZMKMZCLJ-FZKCQIBNSA-N 2 1 396.285 1.349 20 0 GDADMP CCOP(=O)(CCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)OCC ZINC000876685959 656624240 /nfs/dbraw/zinc/62/42/40/656624240.db2.gz YDDGTSSETOGWHI-UHFFFAOYSA-N 2 1 375.450 1.883 20 0 GDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)c3ccccc3Br)nn2)CC1 ZINC000881420453 656935468 /nfs/dbraw/zinc/93/54/68/656935468.db2.gz XIAAOTYIDGGVID-QGZVFWFLSA-N 2 1 394.317 1.740 20 0 GDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000930525274 657031794 /nfs/dbraw/zinc/03/17/94/657031794.db2.gz FGHZIPFISYMECG-UHFFFAOYSA-N 2 1 392.257 1.949 20 0 GDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906383645 659536109 /nfs/dbraw/zinc/53/61/09/659536109.db2.gz BCJSDSPWIOBKGF-LBPRGKRZSA-N 2 1 381.691 1.893 20 0 GDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2I)C1 ZINC000911821395 660019078 /nfs/dbraw/zinc/01/90/78/660019078.db2.gz GKHVTKZMWWAUPA-WDMOLILDSA-N 2 1 387.265 1.877 20 0 GDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc4c(nn3)CC[NH2+]C4)CC[C@@H]21 ZINC001164835849 720571373 /nfs/dbraw/zinc/57/13/73/720571373.db2.gz INGDKKJIPPNXTN-HBFSDRIKSA-N 2 1 381.528 1.697 20 0 GDADMP c1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C[NH+]2CCCC2)c1 ZINC001164746133 720802954 /nfs/dbraw/zinc/80/29/54/720802954.db2.gz LVARUSIVFRPCMN-RTBURBONSA-N 2 1 380.496 1.809 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164859527 720859672 /nfs/dbraw/zinc/85/96/72/720859672.db2.gz UFRSNAUKILNHNK-FUHWJXTLSA-N 2 1 389.500 1.251 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001164859527 720859674 /nfs/dbraw/zinc/85/96/74/720859674.db2.gz UFRSNAUKILNHNK-FUHWJXTLSA-N 2 1 389.500 1.251 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)CC[C@@H]2C1 ZINC001164860188 720867161 /nfs/dbraw/zinc/86/71/61/720867161.db2.gz VTIVHQZFGKBDHW-IEBWSBKVSA-N 2 1 375.517 1.117 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(N5CCC([NH3+])CC5)n4)C[C@H]3C2)cn1 ZINC001164773401 721168500 /nfs/dbraw/zinc/16/85/00/721168500.db2.gz WYVXOMORPNJNEQ-ZWKOTPCHSA-N 2 1 396.543 1.096 20 0 GDADMP Cc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164866463 721196820 /nfs/dbraw/zinc/19/68/20/721196820.db2.gz AYFMZTWXZCYFBA-OALUTQOASA-N 2 1 380.496 1.347 20 0 GDADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001571282148 945832331 /nfs/dbraw/zinc/83/23/31/945832331.db2.gz FCPVPHRHYCSMSM-YOEHRIQHSA-N 2 1 387.463 1.133 20 0 GDADMP C[NH+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001571282148 945832343 /nfs/dbraw/zinc/83/23/43/945832343.db2.gz FCPVPHRHYCSMSM-YOEHRIQHSA-N 2 1 387.463 1.133 20 0 GDADMP C[NH+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001571282148 945832355 /nfs/dbraw/zinc/83/23/55/945832355.db2.gz FCPVPHRHYCSMSM-YOEHRIQHSA-N 2 1 387.463 1.133 20 0 GDADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001571282147 945832756 /nfs/dbraw/zinc/83/27/56/945832756.db2.gz FCPVPHRHYCSMSM-WMLDXEAASA-N 2 1 387.463 1.133 20 0 GDADMP C[NH+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001571282147 945832767 /nfs/dbraw/zinc/83/27/67/945832767.db2.gz FCPVPHRHYCSMSM-WMLDXEAASA-N 2 1 387.463 1.133 20 0 GDADMP C[NH+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001571282147 945832778 /nfs/dbraw/zinc/83/27/78/945832778.db2.gz FCPVPHRHYCSMSM-WMLDXEAASA-N 2 1 387.463 1.133 20 0 GDADMP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823689854 946467619 /nfs/dbraw/zinc/46/76/19/946467619.db2.gz JWEAQOUTZOHWFO-FUHWJXTLSA-N 2 1 386.500 1.414 20 0 GDADMP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823689854 946467631 /nfs/dbraw/zinc/46/76/31/946467631.db2.gz JWEAQOUTZOHWFO-FUHWJXTLSA-N 2 1 386.500 1.414 20 0 GDADMP OCC[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOC1 ZINC000826508935 948427874 /nfs/dbraw/zinc/42/78/74/948427874.db2.gz GNRGZESKMNUCDS-HXUWFJFHSA-N 2 1 386.500 1.210 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707664 949471623 /nfs/dbraw/zinc/47/16/23/949471623.db2.gz PWPORUJCUILRGZ-OCCSQVGLSA-N 2 1 377.518 1.349 20 0 GDADMP C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575268977 949539249 /nfs/dbraw/zinc/53/92/49/949539249.db2.gz QLPMFOAFUJWGJT-ZBFHGGJFSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575270762 949602425 /nfs/dbraw/zinc/60/24/25/949602425.db2.gz GBXGTQPYHLBCAW-MAUKXSAKSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575270761 949602728 /nfs/dbraw/zinc/60/27/28/949602728.db2.gz GBXGTQPYHLBCAW-CRAIPNDOSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574716856 949713164 /nfs/dbraw/zinc/71/31/64/949713164.db2.gz RLPHURBRZUGJRC-HIFRSBDPSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574962424 949735978 /nfs/dbraw/zinc/73/59/78/949735978.db2.gz AGEXWWORECGXHW-YDHLFZDLSA-N 2 1 389.479 1.330 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574962450 949736049 /nfs/dbraw/zinc/73/60/49/949736049.db2.gz AQDKMVBRSFXETJ-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574962450 949736072 /nfs/dbraw/zinc/73/60/72/949736072.db2.gz AQDKMVBRSFXETJ-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574962450 949736086 /nfs/dbraw/zinc/73/60/86/949736086.db2.gz AQDKMVBRSFXETJ-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574724879 949885492 /nfs/dbraw/zinc/88/54/92/949885492.db2.gz KZKOSJZYUZKUIY-OAHLLOKOSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574726337 949935970 /nfs/dbraw/zinc/93/59/70/949935970.db2.gz ZIRVOGJUURQSHZ-OAHLLOKOSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576191032 950178868 /nfs/dbraw/zinc/17/88/68/950178868.db2.gz CPYMRUJFNVMPRI-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576191035 950180955 /nfs/dbraw/zinc/18/09/55/950180955.db2.gz CPYMRUJFNVMPRI-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576192262 950235047 /nfs/dbraw/zinc/23/50/47/950235047.db2.gz LGSGMRVACIZZQL-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192682 950259892 /nfs/dbraw/zinc/25/98/92/950259892.db2.gz OSROJAQQLLCLQA-YJBOKZPZSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192682 950259911 /nfs/dbraw/zinc/25/99/11/950259911.db2.gz OSROJAQQLLCLQA-YJBOKZPZSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192682 950259930 /nfs/dbraw/zinc/25/99/30/950259930.db2.gz OSROJAQQLLCLQA-YJBOKZPZSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192789 950264898 /nfs/dbraw/zinc/26/48/98/950264898.db2.gz OYKUGLUFNVRSLN-MAUKXSAKSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192789 950264918 /nfs/dbraw/zinc/26/49/18/950264918.db2.gz OYKUGLUFNVRSLN-MAUKXSAKSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192789 950264940 /nfs/dbraw/zinc/26/49/40/950264940.db2.gz OYKUGLUFNVRSLN-MAUKXSAKSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192789 950264960 /nfs/dbraw/zinc/26/49/60/950264960.db2.gz OYKUGLUFNVRSLN-MAUKXSAKSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194482 950345958 /nfs/dbraw/zinc/34/59/58/950345958.db2.gz ZHQRJLKNIFSSMX-NNGSBXSVSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194483 950347976 /nfs/dbraw/zinc/34/79/76/950347976.db2.gz ZHQRJLKNIFSSMX-RWBZWWBESA-N 2 1 383.500 1.288 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576196960 950375219 /nfs/dbraw/zinc/37/52/19/950375219.db2.gz KMLBIDQGMLDZDO-INIZCTEOSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576196960 950375241 /nfs/dbraw/zinc/37/52/41/950375241.db2.gz KMLBIDQGMLDZDO-INIZCTEOSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576196960 950375261 /nfs/dbraw/zinc/37/52/61/950375261.db2.gz KMLBIDQGMLDZDO-INIZCTEOSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576204980 950489207 /nfs/dbraw/zinc/48/92/07/950489207.db2.gz FCGOSMHJIOBUTB-RDTXWAMCSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576205229 950501972 /nfs/dbraw/zinc/50/19/72/950501972.db2.gz HKZJRKNPDRFPDN-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576205229 950501989 /nfs/dbraw/zinc/50/19/89/950501989.db2.gz HKZJRKNPDRFPDN-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576205229 950502005 /nfs/dbraw/zinc/50/20/05/950502005.db2.gz HKZJRKNPDRFPDN-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205254 950506403 /nfs/dbraw/zinc/50/64/03/950506403.db2.gz HZBKNBKUEUMZIG-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205254 950506418 /nfs/dbraw/zinc/50/64/18/950506418.db2.gz HZBKNBKUEUMZIG-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205254 950506438 /nfs/dbraw/zinc/50/64/38/950506438.db2.gz HZBKNBKUEUMZIG-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205254 950506451 /nfs/dbraw/zinc/50/64/51/950506451.db2.gz HZBKNBKUEUMZIG-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576213943 950657312 /nfs/dbraw/zinc/65/73/12/950657312.db2.gz LCYWMTLKMXGZCZ-WQVCFCJDSA-N 2 1 387.463 1.084 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576215479 950705599 /nfs/dbraw/zinc/70/55/99/950705599.db2.gz VPJYSTYFTHPCJB-DAXOMENPSA-N 2 1 387.463 1.084 20 0 GDADMP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574521253 950770293 /nfs/dbraw/zinc/77/02/93/950770293.db2.gz DOAOKDYAVNLZSV-HUUCEWRRSA-N 2 1 385.516 1.724 20 0 GDADMP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001574771642 950933157 /nfs/dbraw/zinc/93/31/57/950933157.db2.gz IHZBPHZFBQDBOV-CYBMUJFWSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001574771642 950933169 /nfs/dbraw/zinc/93/31/69/950933169.db2.gz IHZBPHZFBQDBOV-CYBMUJFWSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575089703 951753114 /nfs/dbraw/zinc/75/31/14/951753114.db2.gz HUBGTPVNTWPKDQ-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575090316 951760114 /nfs/dbraw/zinc/76/01/14/951760114.db2.gz KMVSNJFAIUVGBH-LRDDRELGSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099597 951837323 /nfs/dbraw/zinc/83/73/23/951837323.db2.gz NMURSGYKMXYCES-LBPRGKRZSA-N 2 1 377.518 1.254 20 0 GDADMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099808 951840283 /nfs/dbraw/zinc/84/02/83/951840283.db2.gz OVHCXRVFEJEOQK-ZIAGYGMSSA-N 2 1 391.545 1.645 20 0 GDADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101280 951855579 /nfs/dbraw/zinc/85/55/79/951855579.db2.gz BKDMGLMNDUTBQS-HIFRSBDPSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575102424 951867336 /nfs/dbraw/zinc/86/73/36/951867336.db2.gz NBDYOPTZNJXBPO-MJBXVCDLSA-N 2 1 391.545 1.595 20 0 GDADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575110209 951936633 /nfs/dbraw/zinc/93/66/33/951936633.db2.gz YBYSCHNDTATWOO-MPGHIAIKSA-N 2 1 385.516 1.534 20 0 GDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575145288 952181424 /nfs/dbraw/zinc/18/14/24/952181424.db2.gz VGVLTSSFYFYDGA-RHSMWYFYSA-N 2 1 386.504 1.205 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169660 952777399 /nfs/dbraw/zinc/77/73/99/952777399.db2.gz JVNLLESCZVHZGL-MRXNPFEDSA-N 2 1 380.456 1.152 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@H+]1C ZINC001571234625 953203694 /nfs/dbraw/zinc/20/36/94/953203694.db2.gz DJOKUPSKUHBURD-UWWQBHOKSA-N 2 1 383.500 1.145 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234668 953204227 /nfs/dbraw/zinc/20/42/27/953204227.db2.gz FQUAIDPTJWWGAU-FUHWJXTLSA-N 2 1 383.500 1.147 20 0 GDADMP CC(C)(C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+]1CCCC1 ZINC001571251471 953318063 /nfs/dbraw/zinc/31/80/63/953318063.db2.gz YKQVTJMDUWFVRZ-UHFFFAOYSA-N 2 1 384.488 1.175 20 0 GDADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174353536 530647103 /nfs/dbraw/zinc/64/71/03/530647103.db2.gz LOACMMWQYCZGMW-INIZCTEOSA-N 2 1 384.318 1.670 20 0 GDADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174353536 530647109 /nfs/dbraw/zinc/64/71/09/530647109.db2.gz LOACMMWQYCZGMW-INIZCTEOSA-N 2 1 384.318 1.670 20 0 GDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261661557 531095389 /nfs/dbraw/zinc/09/53/89/531095389.db2.gz FFMYRFJXRDUFDW-NVXWUHKLSA-N 2 1 384.318 1.850 20 0 GDADMP C[C@@H](NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000415787907 531530254 /nfs/dbraw/zinc/53/02/54/531530254.db2.gz LNNUSZIMDWLFOV-WDEREUQCSA-N 2 1 385.310 1.453 20 0 GDADMP C[C@@H](CCC[NH3+])NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415785731 531530416 /nfs/dbraw/zinc/53/04/16/531530416.db2.gz IQIGQUPVECBLSA-LBPRGKRZSA-N 2 1 399.337 1.845 20 0 GDADMP C[NH2+][C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cccc(Cl)c1Cl ZINC000662426529 531678283 /nfs/dbraw/zinc/67/82/83/531678283.db2.gz TTWYIIHGPRAUET-LBPRGKRZSA-N 2 1 384.271 1.420 20 0 GDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)C2)CC1 ZINC000595930398 531894360 /nfs/dbraw/zinc/89/43/60/531894360.db2.gz VTZCNMDOLSGBSQ-PBHICJAKSA-N 2 1 395.345 1.687 20 0 GDADMP CN(C(=O)c1sc2c(c1I)C[NH2+]C2)[C@@H](C[NH3+])C1CC1 ZINC000595965449 531901201 /nfs/dbraw/zinc/90/12/01/531901201.db2.gz YTJGXQCNWKPKFK-VIFPVBQESA-N 2 1 391.278 1.765 20 0 GDADMP C[NH2+]CCNC(=O)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000419784053 531969143 /nfs/dbraw/zinc/96/91/43/531969143.db2.gz TZFCETGNCKDBAQ-UHFFFAOYSA-N 2 1 387.311 1.410 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000430617229 532253315 /nfs/dbraw/zinc/25/33/15/532253315.db2.gz KWVSNASNJFOMBT-ZDUSSCGKSA-N 2 1 397.317 1.565 20 0 GDADMP C[NH+]1CCN(c2ncc(C[NH2+]CCCn3cc(Br)cn3)cn2)CC1 ZINC000288357115 532284569 /nfs/dbraw/zinc/28/45/69/532284569.db2.gz CPBMUWOSAYIZEM-UHFFFAOYSA-N 2 1 394.321 1.367 20 0 GDADMP C[C@@H]1C[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824984162 608170710 /nfs/dbraw/zinc/17/07/10/608170710.db2.gz HDEGBPPTYHQKIE-XLIONFOSSA-N 2 1 399.543 1.593 20 0 GDADMP O=C1[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477193 609415855 /nfs/dbraw/zinc/41/58/55/609415855.db2.gz XRPFQRWDWCZGCA-GDBMZVCRSA-N 2 1 378.440 1.163 20 0 GDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716650 650809805 /nfs/dbraw/zinc/80/98/05/650809805.db2.gz KIMFZIBXJJUBBC-HIFRSBDPSA-N 2 1 389.309 1.784 20 0 GDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716650 650809807 /nfs/dbraw/zinc/80/98/07/650809807.db2.gz KIMFZIBXJJUBBC-HIFRSBDPSA-N 2 1 389.309 1.784 20 0 GDADMP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000048750396 644394365 /nfs/dbraw/zinc/39/43/65/644394365.db2.gz DVMUOWUPFURCQS-AWEZNQCLSA-N 2 1 385.921 1.889 20 0 GDADMP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000571645319 651080255 /nfs/dbraw/zinc/08/02/55/651080255.db2.gz CQBOROXPFFXBTQ-CQSZACIVSA-N 2 1 396.333 1.400 20 0 GDADMP C[NH+](C)C[C@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637470657 653529265 /nfs/dbraw/zinc/52/92/65/653529265.db2.gz BDGAWPBJWOZWIV-CJNGLKHVSA-N 2 1 389.327 1.962 20 0 GDADMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000664248237 654370391 /nfs/dbraw/zinc/37/03/91/654370391.db2.gz QNIHMKWGRGCLOU-UHFFFAOYSA-N 2 1 382.452 1.648 20 0 GDADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000664248237 654370397 /nfs/dbraw/zinc/37/03/97/654370397.db2.gz QNIHMKWGRGCLOU-UHFFFAOYSA-N 2 1 382.452 1.648 20 0 GDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000779656863 654765883 /nfs/dbraw/zinc/76/58/83/654765883.db2.gz YGEDIASXZRYROO-CYBMUJFWSA-N 2 1 388.921 1.968 20 0 GDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000779656863 654765885 /nfs/dbraw/zinc/76/58/85/654765885.db2.gz YGEDIASXZRYROO-CYBMUJFWSA-N 2 1 388.921 1.968 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c(Br)nnn1C ZINC000810299520 655154835 /nfs/dbraw/zinc/15/48/35/655154835.db2.gz CMUOZWUEGDSDJE-GFCCVEGCSA-N 2 1 387.326 1.066 20 0 GDADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817961213 655363033 /nfs/dbraw/zinc/36/30/33/655363033.db2.gz YSCXRAXJPYYUTK-CYBMUJFWSA-N 2 1 391.559 1.580 20 0 GDADMP C[C@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000843061800 655387672 /nfs/dbraw/zinc/38/76/72/655387672.db2.gz IKOZXUUMWHSHKX-BBRMVZONSA-N 2 1 375.282 1.842 20 0 GDADMP CCOP(=O)(OCC)[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000851882965 655602238 /nfs/dbraw/zinc/60/22/38/655602238.db2.gz MGZLTWRYNUOLSL-ZACQAIPSSA-N 2 1 377.466 1.529 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000866714455 655956264 /nfs/dbraw/zinc/95/62/64/655956264.db2.gz PHHLOQUERJVYPD-BMFZPTHFSA-N 2 1 396.285 1.695 20 0 GDADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)nn1 ZINC000923412853 656550859 /nfs/dbraw/zinc/55/08/59/656550859.db2.gz YQTORCXLFKYMIQ-KGLIPLIRSA-N 2 1 386.283 1.730 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923414153 656551372 /nfs/dbraw/zinc/55/13/72/656551372.db2.gz KNHCHHLGYWEKRC-FWYOQMDTSA-N 2 1 386.279 1.894 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923414153 656551376 /nfs/dbraw/zinc/55/13/76/656551376.db2.gz KNHCHHLGYWEKRC-FWYOQMDTSA-N 2 1 386.279 1.894 20 0 GDADMP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)Nc1ccc(Br)cn1)CC2 ZINC000923448238 656553706 /nfs/dbraw/zinc/55/37/06/656553706.db2.gz ACVUIDHJIWCFCD-ZDUSSCGKSA-N 2 1 383.290 1.612 20 0 GDADMP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1Cl ZINC000923493956 656556275 /nfs/dbraw/zinc/55/62/75/656556275.db2.gz XIOMCMDFGFRRLW-LBPRGKRZSA-N 2 1 388.921 1.200 20 0 GDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894260567 658529345 /nfs/dbraw/zinc/52/93/45/658529345.db2.gz MPUQVXQXKXJTTA-CQSZACIVSA-N 2 1 388.965 1.960 20 0 GDADMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(C)nc1I ZINC000894483447 658567496 /nfs/dbraw/zinc/56/74/96/658567496.db2.gz MJQCNFBCYZLMML-LBPRGKRZSA-N 2 1 391.301 1.140 20 0 GDADMP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])c1ccccc1I ZINC000911763546 660018064 /nfs/dbraw/zinc/01/80/64/660018064.db2.gz ZHZRNFGBHZCALP-ZDUSSCGKSA-N 2 1 375.254 1.795 20 0 GDADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164440725 718985069 /nfs/dbraw/zinc/98/50/69/718985069.db2.gz RKCMHSFRINJTPV-BSXFFOKHSA-N 2 1 387.528 1.274 20 0 GDADMP CCOC(=O)c1cnc(CC)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680153 719648024 /nfs/dbraw/zinc/64/80/24/719648024.db2.gz QHQLSMBCAQHKPT-UHFFFAOYSA-N 2 1 386.500 1.887 20 0 GDADMP CCOC(=O)c1cnc(CC)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680153 719648033 /nfs/dbraw/zinc/64/80/33/719648033.db2.gz QHQLSMBCAQHKPT-UHFFFAOYSA-N 2 1 386.500 1.887 20 0 GDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC001164817613 720284327 /nfs/dbraw/zinc/28/43/27/720284327.db2.gz DYLILMYIQXTYDA-MOPGFXCFSA-N 2 1 398.555 1.988 20 0 GDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC001164817615 720284970 /nfs/dbraw/zinc/28/49/70/720284970.db2.gz DYLILMYIQXTYDA-RBUKOAKNSA-N 2 1 398.555 1.988 20 0 GDADMP c1cc(N2CCOCC2)[nH+]c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164745292 720740130 /nfs/dbraw/zinc/74/01/30/720740130.db2.gz UYRYKKUPQNGLCM-IRXDYDNUSA-N 2 1 382.468 1.050 20 0 GDADMP c1cc(N2CCOCC2)[nH+]c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164745292 720740144 /nfs/dbraw/zinc/74/01/44/720740144.db2.gz UYRYKKUPQNGLCM-IRXDYDNUSA-N 2 1 382.468 1.050 20 0 GDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164745839 720742634 /nfs/dbraw/zinc/74/26/34/720742634.db2.gz WALUQFWEQCFGSR-ROUUACIJSA-N 2 1 395.511 1.141 20 0 GDADMP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)[nH+]2)CC1 ZINC001164745839 720742643 /nfs/dbraw/zinc/74/26/43/720742643.db2.gz WALUQFWEQCFGSR-ROUUACIJSA-N 3 1 395.511 1.141 20 0 GDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)[nH+]2)CC1 ZINC001164745839 720742651 /nfs/dbraw/zinc/74/26/51/720742651.db2.gz WALUQFWEQCFGSR-ROUUACIJSA-N 3 1 395.511 1.141 20 0 GDADMP c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746250 720818550 /nfs/dbraw/zinc/81/85/50/720818550.db2.gz YRNOQVGRPYZGBL-MBOZVWFJSA-N 2 1 394.527 1.093 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)C[C@@H]3C2)cn1 ZINC001164766797 721172971 /nfs/dbraw/zinc/17/29/71/721172971.db2.gz JGTYHWHUCFVAIB-MOPGFXCFSA-N 2 1 382.512 1.610 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164985765 722106651 /nfs/dbraw/zinc/10/66/51/722106651.db2.gz WMIPRRIPBOQMAV-YLJYHZDGSA-N 2 1 380.496 1.245 20 0 GDADMP C[C@@H](CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@@H+](C)Cc1ccccc1 ZINC000820241129 945391882 /nfs/dbraw/zinc/39/18/82/945391882.db2.gz DSSVSYUTTHDFPV-RDJZCZTQSA-N 2 1 395.515 1.605 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294298 946132660 /nfs/dbraw/zinc/13/26/60/946132660.db2.gz FACHMCXYQJPIPP-KBPBESRZSA-N 2 1 389.529 1.351 20 0 GDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571294703 946143183 /nfs/dbraw/zinc/14/31/83/946143183.db2.gz KWQCGJQZRRDKCT-OAHLLOKOSA-N 2 1 389.529 1.445 20 0 GDADMP Cn1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361383 948131100 /nfs/dbraw/zinc/13/11/00/948131100.db2.gz VKERDHCNACMKCN-INIZCTEOSA-N 2 1 375.440 1.568 20 0 GDADMP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000826513633 948438439 /nfs/dbraw/zinc/43/84/39/948438439.db2.gz QSAVXRJFVYDNOP-HXUWFJFHSA-N 2 1 381.528 1.905 20 0 GDADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266063 949466401 /nfs/dbraw/zinc/46/64/01/949466401.db2.gz XDPIEXBBJFBWMC-KDOFPFPSSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707665 949469987 /nfs/dbraw/zinc/46/99/87/949469987.db2.gz PWPORUJCUILRGZ-TZMCWYRMSA-N 2 1 377.518 1.349 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574709261 949503470 /nfs/dbraw/zinc/50/34/70/949503470.db2.gz YUIIVVPAZGFHBB-LRDDRELGSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574956981 949592385 /nfs/dbraw/zinc/59/23/85/949592385.db2.gz OVRMSFLQBPOTKC-GZBFAFLISA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574956981 949592401 /nfs/dbraw/zinc/59/24/01/949592401.db2.gz OVRMSFLQBPOTKC-GZBFAFLISA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574956981 949592415 /nfs/dbraw/zinc/59/24/15/949592415.db2.gz OVRMSFLQBPOTKC-GZBFAFLISA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574957016 949597490 /nfs/dbraw/zinc/59/74/90/949597490.db2.gz QAOPTPPGMRWDBK-WBMJQRKESA-N 2 1 375.452 1.084 20 0 GDADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576170335 949713447 /nfs/dbraw/zinc/71/34/47/949713447.db2.gz KIBXAJFSJWNJEQ-RHSMWYFYSA-N 2 1 386.504 1.063 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574964269 949769841 /nfs/dbraw/zinc/76/98/41/949769841.db2.gz SQTQATROETUVCB-YDHLFZDLSA-N 2 1 389.479 1.330 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574151223 950063395 /nfs/dbraw/zinc/06/33/95/950063395.db2.gz NUAZVKIMKXNVBB-ZWKOTPCHSA-N 2 1 385.516 1.439 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574151221 950066176 /nfs/dbraw/zinc/06/61/76/950066176.db2.gz NUAZVKIMKXNVBB-QZTJIDSGSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001576197409 950388555 /nfs/dbraw/zinc/38/85/55/950388555.db2.gz NFMYJIRIMXXISP-HNNXBMFYSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576199491 950424399 /nfs/dbraw/zinc/42/43/99/950424399.db2.gz ZRRVUIUGNIFBCL-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576202599 950434245 /nfs/dbraw/zinc/43/42/45/950434245.db2.gz BRHCXEYUWTURLG-GJZGRUSLSA-N 2 1 383.500 1.145 20 0 GDADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001576203764 950448386 /nfs/dbraw/zinc/44/83/86/950448386.db2.gz JFRSLYLIWKIDFW-SFHVURJKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576203756 950450999 /nfs/dbraw/zinc/45/09/99/950450999.db2.gz JEPQMDVMITXVJG-KDOFPFPSSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576204979 950488236 /nfs/dbraw/zinc/48/82/36/950488236.db2.gz FCGOSMHJIOBUTB-KSSFIOAISA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576205152 950498600 /nfs/dbraw/zinc/49/86/00/950498600.db2.gz VMAAQTBEXFTTQH-LSDHHAIUSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576205596 950529013 /nfs/dbraw/zinc/52/90/13/950529013.db2.gz KHRPRCOPCIZBNM-HSBZDZAISA-N 2 1 389.529 1.254 20 0 GDADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001576207831 950598357 /nfs/dbraw/zinc/59/83/57/950598357.db2.gz JTMORKBZFPRPBP-VQIMIIECSA-N 2 1 397.527 1.535 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576216425 950733568 /nfs/dbraw/zinc/73/35/68/950733568.db2.gz YZBUTAGOAPAVCI-YUELXQCFSA-N 2 1 387.463 1.084 20 0 GDADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001574771907 950946605 /nfs/dbraw/zinc/94/66/05/950946605.db2.gz MRNCCACTTYCEMA-CXAGYDPISA-N 2 1 391.495 1.529 20 0 GDADMP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574773322 950987605 /nfs/dbraw/zinc/98/76/05/950987605.db2.gz XIHWIUZPRFWYKI-ZDUSSCGKSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574773322 950987622 /nfs/dbraw/zinc/98/76/22/950987622.db2.gz XIHWIUZPRFWYKI-ZDUSSCGKSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575090618 951761904 /nfs/dbraw/zinc/76/19/04/951761904.db2.gz KWAUANZIUJHIAJ-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575100647 951847581 /nfs/dbraw/zinc/84/75/81/951847581.db2.gz VDHCNHYRJJLNGY-OLZOCXBDSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101376 951857299 /nfs/dbraw/zinc/85/72/99/951857299.db2.gz CJOQPNOQBRRAPJ-UMVBOHGHSA-N 2 1 389.479 1.188 20 0 GDADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575108455 951924581 /nfs/dbraw/zinc/92/45/81/951924581.db2.gz MUDBAJZSWQNAGG-HNNXBMFYSA-N 2 1 387.532 1.781 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571169342 952773065 /nfs/dbraw/zinc/77/30/65/952773065.db2.gz ADMISGHSYXNKPA-CXAGYDPISA-N 2 1 380.456 1.008 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571169342 952773068 /nfs/dbraw/zinc/77/30/68/952773068.db2.gz ADMISGHSYXNKPA-CXAGYDPISA-N 2 1 380.456 1.008 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571169619 952776011 /nfs/dbraw/zinc/77/60/11/952776011.db2.gz IHGXFAYFOYYNTA-QGZVFWFLSA-N 2 1 380.456 1.152 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001571234772 953205420 /nfs/dbraw/zinc/20/54/20/953205420.db2.gz IMUSBQIQAQGQID-KRWDZBQOSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571235145 953209039 /nfs/dbraw/zinc/20/90/39/953209039.db2.gz UZCNTKHZTWAXMB-ZOBUZTSGSA-N 2 1 383.500 1.193 20 0 GDADMP O[C@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129308730 531049247 /nfs/dbraw/zinc/04/92/47/531049247.db2.gz RBKOGQZAKVOYBF-WBVHZDCISA-N 2 1 399.329 1.843 20 0 GDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000414109300 531431748 /nfs/dbraw/zinc/43/17/48/531431748.db2.gz HBZWYXIZDUWOPF-OAHLLOKOSA-N 2 1 399.377 1.863 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C[NH+]1CCCC1 ZINC000414292121 531438066 /nfs/dbraw/zinc/43/80/66/531438066.db2.gz OPMLJEHOFSQOMV-GFCCVEGCSA-N 2 1 390.347 1.918 20 0 GDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414303784 531438788 /nfs/dbraw/zinc/43/87/88/531438788.db2.gz DQSPPWIMGDNVIS-GFCCVEGCSA-N 2 1 376.320 1.528 20 0 GDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414303784 531438792 /nfs/dbraw/zinc/43/87/92/531438792.db2.gz DQSPPWIMGDNVIS-GFCCVEGCSA-N 2 1 376.320 1.528 20 0 GDADMP C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415784101 531529388 /nfs/dbraw/zinc/52/93/88/531529388.db2.gz GZSGSKYVVTWNMH-GFCCVEGCSA-N 2 1 399.337 1.573 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415826205 531538256 /nfs/dbraw/zinc/53/82/56/531538256.db2.gz AURHLNYXQBAFOE-YPMHNXCESA-N 2 1 397.317 1.693 20 0 GDADMP CN(C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C1CC([NH3+])C1 ZINC000415795355 531533381 /nfs/dbraw/zinc/53/33/81/531533381.db2.gz XXOQECOWZKFRMF-UHFFFAOYSA-N 2 1 383.290 1.397 20 0 GDADMP C[NH+](C)Cc1ccsc1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000269175528 531620087 /nfs/dbraw/zinc/62/00/87/531620087.db2.gz GXSNYFIOMNRFNK-UHFFFAOYSA-N 2 1 382.511 1.299 20 0 GDADMP [NH3+][C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccccc1Br ZINC000638986297 531680560 /nfs/dbraw/zinc/68/05/60/531680560.db2.gz ZZPNPOPLMVHMOQ-MRXNPFEDSA-N 2 1 390.285 1.892 20 0 GDADMP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178563 531685358 /nfs/dbraw/zinc/68/53/58/531685358.db2.gz MKQAGEOFLJAJQM-BXUZGUMPSA-N 2 1 390.347 1.869 20 0 GDADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178563 531685362 /nfs/dbraw/zinc/68/53/62/531685362.db2.gz MKQAGEOFLJAJQM-BXUZGUMPSA-N 2 1 390.347 1.869 20 0 GDADMP C(C[NH+]1CCS[C@H]2COCC[C@H]21)OCC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000366372473 531741947 /nfs/dbraw/zinc/74/19/47/531741947.db2.gz RRBABBTXQKZXRY-FZDBZEDMSA-N 2 1 388.599 1.416 20 0 GDADMP C(C[NH+]1CCS[C@@H]2COCC[C@@H]21)OCC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000366372473 531741955 /nfs/dbraw/zinc/74/19/55/531741955.db2.gz RRBABBTXQKZXRY-FZDBZEDMSA-N 2 1 388.599 1.416 20 0 GDADMP C(C[NH+]1CCS[C@@H]2COCC[C@@H]21)OCC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000366372473 531741965 /nfs/dbraw/zinc/74/19/65/531741965.db2.gz RRBABBTXQKZXRY-FZDBZEDMSA-N 2 1 388.599 1.416 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC[NH2+]C2CC2)cc1Br ZINC000667293316 531775181 /nfs/dbraw/zinc/77/51/81/531775181.db2.gz PGIDFTYPHALRGZ-UHFFFAOYSA-N 2 1 383.290 1.317 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634705396 532055739 /nfs/dbraw/zinc/05/57/39/532055739.db2.gz ZZHKVTMFULJFPP-OAHLLOKOSA-N 2 1 390.311 1.487 20 0 GDADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731020 532065675 /nfs/dbraw/zinc/06/56/75/532065675.db2.gz YPIFASHXBZIXDN-BBWFWOEESA-N 2 1 399.329 1.950 20 0 GDADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731020 532065679 /nfs/dbraw/zinc/06/56/79/532065679.db2.gz YPIFASHXBZIXDN-BBWFWOEESA-N 2 1 399.329 1.950 20 0 GDADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731020 532065680 /nfs/dbraw/zinc/06/56/80/532065680.db2.gz YPIFASHXBZIXDN-BBWFWOEESA-N 2 1 399.329 1.950 20 0 GDADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423207961 532073612 /nfs/dbraw/zinc/07/36/12/532073612.db2.gz HKSCQYSCRLCBJW-QWRGUYRKSA-N 2 1 376.320 1.747 20 0 GDADMP O=c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc2ccc(Br)cn12 ZINC000324189523 532072881 /nfs/dbraw/zinc/07/28/81/532072881.db2.gz QZPLGRHYQQHQEN-BETUJISGSA-N 2 1 377.286 1.888 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(I)s2)CC1 ZINC000602539451 532079830 /nfs/dbraw/zinc/07/98/30/532079830.db2.gz GKEAXAHDWBBJKZ-UHFFFAOYSA-N 2 1 393.294 1.606 20 0 GDADMP O=C(COC1C[NH2+]C1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000431019347 532259655 /nfs/dbraw/zinc/25/96/55/532259655.db2.gz OFCSSJYBMWGQQL-UHFFFAOYSA-N 2 1 382.302 1.518 20 0 GDADMP C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359893812 209200420 /nfs/dbraw/zinc/20/04/20/209200420.db2.gz CZEMRLGLULFCDJ-QUCCMNQESA-N 2 1 388.556 1.995 20 0 GDADMP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000736767067 598974428 /nfs/dbraw/zinc/97/44/28/598974428.db2.gz KMSXCFNEALIZBH-QGZVFWFLSA-N 2 1 398.515 1.177 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000825848828 607525662 /nfs/dbraw/zinc/52/56/62/607525662.db2.gz GCVIUQDXGAGGLB-NUJGCVRESA-N 2 1 381.484 1.803 20 0 GDADMP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000819921816 606204900 /nfs/dbraw/zinc/20/49/00/606204900.db2.gz AVENRVZDCJRONV-UHFFFAOYSA-N 2 1 375.477 1.176 20 0 GDADMP O[C@@H](C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681741 606853475 /nfs/dbraw/zinc/85/34/75/606853475.db2.gz JYWXJTPYAOWKLA-FQEVSTJZSA-N 2 1 378.480 1.938 20 0 GDADMP O[C@@H](C[NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681741 606853477 /nfs/dbraw/zinc/85/34/77/606853477.db2.gz JYWXJTPYAOWKLA-FQEVSTJZSA-N 2 1 378.480 1.938 20 0 GDADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351630 645941587 /nfs/dbraw/zinc/94/15/87/645941587.db2.gz XRDHVUWCYPAAGX-XJKSGUPXSA-N 2 1 381.318 1.756 20 0 GDADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351630 645941589 /nfs/dbraw/zinc/94/15/89/645941589.db2.gz XRDHVUWCYPAAGX-XJKSGUPXSA-N 2 1 381.318 1.756 20 0 GDADMP CN(CC[NH+](C)C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455906329 647392105 /nfs/dbraw/zinc/39/21/05/647392105.db2.gz RUMYNPNOGJMWKA-UHFFFAOYSA-N 2 1 399.337 1.621 20 0 GDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000484984258 647921715 /nfs/dbraw/zinc/92/17/15/647921715.db2.gz BVZFFOARLNMKSL-KBPBESRZSA-N 2 1 384.318 1.955 20 0 GDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000484984258 647921717 /nfs/dbraw/zinc/92/17/17/647921717.db2.gz BVZFFOARLNMKSL-KBPBESRZSA-N 2 1 384.318 1.955 20 0 GDADMP O=C(C[NH2+][C@H](CO)c1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000521099167 648653338 /nfs/dbraw/zinc/65/33/38/648653338.db2.gz WOBRWNXUFFEDKD-QGZVFWFLSA-N 2 1 396.329 1.815 20 0 GDADMP C[S@](=O)C1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH2+]CC1 ZINC000602469578 652638458 /nfs/dbraw/zinc/63/84/58/652638458.db2.gz URFHKICSWMDDEI-MQNRADLISA-N 2 1 383.583 1.577 20 0 GDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC[C@@H]1CCOC1 ZINC000645508635 653603445 /nfs/dbraw/zinc/60/34/45/653603445.db2.gz XMJCYYGJLCTVSY-MSOLQXFVSA-N 2 1 375.579 1.481 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC[C@@H]1CCOC1 ZINC000645508635 653603446 /nfs/dbraw/zinc/60/34/46/653603446.db2.gz XMJCYYGJLCTVSY-MSOLQXFVSA-N 2 1 375.579 1.481 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCOc3cccc(Br)c3C2)C1 ZINC000656195253 654010944 /nfs/dbraw/zinc/01/09/44/654010944.db2.gz XDGQDXWWCHBHRM-CYBMUJFWSA-N 2 1 382.302 1.841 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCOc3cccc(Br)c3C2)C1 ZINC000656195253 654010948 /nfs/dbraw/zinc/01/09/48/654010948.db2.gz XDGQDXWWCHBHRM-CYBMUJFWSA-N 2 1 382.302 1.841 20 0 GDADMP O=C(C[NH2+][C@@H](CO)c1ccc(Br)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000679832593 654707302 /nfs/dbraw/zinc/70/73/02/654707302.db2.gz RQVYPKZYGGKDSG-KRWDZBQOSA-N 2 1 396.329 1.815 20 0 GDADMP CC(C)[NH+](CCN(C(=S)NCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000747760341 654790826 /nfs/dbraw/zinc/79/08/26/654790826.db2.gz PYXLVNVDTZTJHD-MRXNPFEDSA-N 2 1 392.635 1.030 20 0 GDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)CC2)C1 ZINC000870888825 656252887 /nfs/dbraw/zinc/25/28/87/656252887.db2.gz QPQOWSYOYJHDTK-SJORKVTESA-N 2 1 395.345 1.687 20 0 GDADMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(Br)nn3C)C2)[C@H]1C(C)C ZINC000922392993 656474012 /nfs/dbraw/zinc/47/40/12/656474012.db2.gz ISJBVLVVAPUHEO-ZNEHSRBWSA-N 2 1 386.338 1.537 20 0 GDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(Br)nn3C)C2)[C@H]1C(C)C ZINC000922392993 656474017 /nfs/dbraw/zinc/47/40/17/656474017.db2.gz ISJBVLVVAPUHEO-ZNEHSRBWSA-N 2 1 386.338 1.537 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)cc1Br ZINC000927886764 656850726 /nfs/dbraw/zinc/85/07/26/656850726.db2.gz IPNKYVBORPJALD-LBPRGKRZSA-N 2 1 397.317 1.647 20 0 GDADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@H]4C[NH2+]CC[C@H]4C3)C2)cc1 ZINC001164404275 718862439 /nfs/dbraw/zinc/86/24/39/718862439.db2.gz PDUXNHAJEFUVEE-RXVVDRJESA-N 2 1 379.508 1.850 20 0 GDADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@H]4C[NH2+]CC[C@H]4C3)C2)cc1 ZINC001164404275 718862440 /nfs/dbraw/zinc/86/24/40/718862440.db2.gz PDUXNHAJEFUVEE-RXVVDRJESA-N 2 1 379.508 1.850 20 0 GDADMP C[NH+]1CCN(c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nn2)CC1 ZINC001164729784 720337526 /nfs/dbraw/zinc/33/75/26/720337526.db2.gz YBSGSCTWOSRSRS-OALUTQOASA-N 2 1 379.512 1.477 20 0 GDADMP O=C(c1cccnc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1)N1CC[NH2+]CC1 ZINC001164722568 720406594 /nfs/dbraw/zinc/40/65/94/720406594.db2.gz DMVRLYFZGSUTKV-PMACEKPBSA-N 2 1 392.507 1.375 20 0 GDADMP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1C[NH+]1CCCC1 ZINC001164742378 720755370 /nfs/dbraw/zinc/75/53/70/720755370.db2.gz OJQIZVPBCUEWQD-OALUTQOASA-N 2 1 380.496 1.809 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)CC[C@H]2C1 ZINC001164859588 720871238 /nfs/dbraw/zinc/87/12/38/720871238.db2.gz UOWXOWJMBDYOIZ-KSSFIOAISA-N 2 1 380.920 1.554 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)C[C@@H]3C2)cn1 ZINC001164765765 721182007 /nfs/dbraw/zinc/18/20/07/721182007.db2.gz IGFFGAIXZMIRIM-MOPGFXCFSA-N 3 1 395.555 1.701 20 0 GDADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cccc(N5CCC([NH3+])CC5)n4)C[C@@H]3C2)cn1 ZINC001164765765 721182015 /nfs/dbraw/zinc/18/20/15/721182015.db2.gz IGFFGAIXZMIRIM-MOPGFXCFSA-N 2 1 395.555 1.701 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(N5CCC([NH3+])CC5)n4)C[C@@H]3C2)cn1 ZINC001164765765 721182022 /nfs/dbraw/zinc/18/20/22/721182022.db2.gz IGFFGAIXZMIRIM-MOPGFXCFSA-N 2 1 395.555 1.701 20 0 GDADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@H+]3C2)c1 ZINC001164899170 721509884 /nfs/dbraw/zinc/50/98/84/721509884.db2.gz KPIYWRIOWOAXGZ-WMZOPIPTSA-N 2 1 383.471 1.646 20 0 GDADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164896939 721519632 /nfs/dbraw/zinc/51/96/32/721519632.db2.gz CSCJVBQKYHKKRU-IEBWSBKVSA-N 2 1 398.486 1.367 20 0 GDADMP c1cc(C[N@H+]2CCOCC3(CCN(c4cc(C5C[NH2+]C5)ncn4)CC3)C2)ccn1 ZINC001164966419 722062231 /nfs/dbraw/zinc/06/22/31/722062231.db2.gz SOSQXOLOLVLTBX-UHFFFAOYSA-N 2 1 394.523 1.677 20 0 GDADMP Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164971310 722159201 /nfs/dbraw/zinc/15/92/01/722159201.db2.gz BQTPOBRSVURIFL-UYAOXDASSA-N 2 1 394.523 1.594 20 0 GDADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571284888 945908778 /nfs/dbraw/zinc/90/87/78/945908778.db2.gz VYUXRTPDGKDHIW-ZDUSSCGKSA-N 2 1 387.513 1.057 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294301 946131151 /nfs/dbraw/zinc/13/11/51/946131151.db2.gz FACHMCXYQJPIPP-ZIAGYGMSSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)CC[N@H+]1C ZINC001571294775 946142528 /nfs/dbraw/zinc/14/25/28/946142528.db2.gz MARZKJNWZDIPFW-VNHYZAJKSA-N 2 1 389.529 1.301 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571294775 946142536 /nfs/dbraw/zinc/14/25/36/946142536.db2.gz MARZKJNWZDIPFW-VNHYZAJKSA-N 2 1 389.529 1.301 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571294775 946142544 /nfs/dbraw/zinc/14/25/44/946142544.db2.gz MARZKJNWZDIPFW-VNHYZAJKSA-N 2 1 389.529 1.301 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571294731 946143117 /nfs/dbraw/zinc/14/31/17/946143117.db2.gz LIOVBDDEJINFPD-UKRRQHHQSA-N 2 1 389.529 1.493 20 0 GDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824974727 947014065 /nfs/dbraw/zinc/01/40/65/947014065.db2.gz DZBMSMXRUSTAFF-FOIQADDNSA-N 2 1 381.528 1.903 20 0 GDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824974727 947014069 /nfs/dbraw/zinc/01/40/69/947014069.db2.gz DZBMSMXRUSTAFF-FOIQADDNSA-N 2 1 381.528 1.903 20 0 GDADMP C[C@@H](C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573673916 948116767 /nfs/dbraw/zinc/11/67/67/948116767.db2.gz MDMMMIXYOVXVEY-GJZGRUSLSA-N 2 1 384.488 1.221 20 0 GDADMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575876043 949636696 /nfs/dbraw/zinc/63/66/96/949636696.db2.gz IUAKTQMBMCYMDR-MAUKXSAKSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575878831 949683638 /nfs/dbraw/zinc/68/36/38/949683638.db2.gz PNSNRCIMLRNHRO-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574733316 950104227 /nfs/dbraw/zinc/10/42/27/950104227.db2.gz YQQDSESPGIMEKC-GZBFAFLISA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576205151 950497495 /nfs/dbraw/zinc/49/74/95/950497495.db2.gz VMAAQTBEXFTTQH-HUUCEWRRSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576205227 950503845 /nfs/dbraw/zinc/50/38/45/950503845.db2.gz HKZJRKNPDRFPDN-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576205227 950503866 /nfs/dbraw/zinc/50/38/66/950503866.db2.gz HKZJRKNPDRFPDN-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576205227 950503884 /nfs/dbraw/zinc/50/38/84/950503884.db2.gz HKZJRKNPDRFPDN-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576206589 950575839 /nfs/dbraw/zinc/57/58/39/950575839.db2.gz YBAVXAWXUCZTAV-KBPBESRZSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001575080104 951704286 /nfs/dbraw/zinc/70/42/86/951704286.db2.gz UWPFQDKNAMVMEF-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575089446 951748966 /nfs/dbraw/zinc/74/89/66/951748966.db2.gz FSQYZMNQMBTRAB-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089803 951755382 /nfs/dbraw/zinc/75/53/82/951755382.db2.gz IQZJBKJUYUNMPQ-CRAIPNDOSA-N 2 1 385.516 1.583 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575090312 951760409 /nfs/dbraw/zinc/76/04/09/951760409.db2.gz KMVSNJFAIUVGBH-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091494 951776668 /nfs/dbraw/zinc/77/66/68/951776668.db2.gz SPAFCKCHVADPNC-SUMWQHHRSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091491 951777356 /nfs/dbraw/zinc/77/73/56/951777356.db2.gz SPAFCKCHVADPNC-CXAGYDPISA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575095730 951812263 /nfs/dbraw/zinc/81/22/63/951812263.db2.gz WBHUZRYWGBSESZ-MAUKXSAKSA-N 2 1 385.516 1.678 20 0 GDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233832 953195919 /nfs/dbraw/zinc/19/59/19/953195919.db2.gz FPQWRKIIYWGBIP-ROUUACIJSA-N 2 1 383.500 1.432 20 0 GDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233832 953195921 /nfs/dbraw/zinc/19/59/21/953195921.db2.gz FPQWRKIIYWGBIP-ROUUACIJSA-N 2 1 383.500 1.432 20 0 GDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233832 953195925 /nfs/dbraw/zinc/19/59/25/953195925.db2.gz FPQWRKIIYWGBIP-ROUUACIJSA-N 2 1 383.500 1.432 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001571252690 953332025 /nfs/dbraw/zinc/33/20/25/953332025.db2.gz UCSXUHJPNJJWAD-HUUCEWRRSA-N 2 1 384.488 1.173 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001571252690 953332031 /nfs/dbraw/zinc/33/20/31/953332031.db2.gz UCSXUHJPNJJWAD-HUUCEWRRSA-N 2 1 384.488 1.173 20 0 GDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cncc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261866034 531100553 /nfs/dbraw/zinc/10/05/53/531100553.db2.gz KSZKTVMRWUTNRO-CZUORRHYSA-N 2 1 381.318 1.924 20 0 GDADMP O=C(NC[C@H]1CCC[N@H+](Cc2cncc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261866034 531100557 /nfs/dbraw/zinc/10/05/57/531100557.db2.gz KSZKTVMRWUTNRO-CZUORRHYSA-N 2 1 381.318 1.924 20 0 GDADMP CC[N@@H+](CCOc1ccc(Br)cc1)CCC(=O)N1CC[NH2+]CC1 ZINC000262098867 531108084 /nfs/dbraw/zinc/10/80/84/531108084.db2.gz LYZBDJYNRVKAOC-UHFFFAOYSA-N 2 1 384.318 1.972 20 0 GDADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000415393431 531482224 /nfs/dbraw/zinc/48/22/24/531482224.db2.gz KZLLFGSGVWRRLK-GFCCVEGCSA-N 2 1 397.317 1.517 20 0 GDADMP CO[C@H]1CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000363673787 531498603 /nfs/dbraw/zinc/49/86/03/531498603.db2.gz MBALFFVBHWHIPY-ROUUACIJSA-N 2 1 376.563 1.403 20 0 GDADMP CO[C@H]1CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000363673787 531498610 /nfs/dbraw/zinc/49/86/10/531498610.db2.gz MBALFFVBHWHIPY-ROUUACIJSA-N 2 1 376.563 1.403 20 0 GDADMP C[N@@H+]1CC[C@@H](CC(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000636001175 531529665 /nfs/dbraw/zinc/52/96/65/531529665.db2.gz WLGQMFPADUPXIZ-ZDUSSCGKSA-N 2 1 396.333 1.876 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000636001175 531529672 /nfs/dbraw/zinc/52/96/72/531529672.db2.gz WLGQMFPADUPXIZ-ZDUSSCGKSA-N 2 1 396.333 1.876 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NC(C)(C)C[NH3+])CC1 ZINC000415793170 531531085 /nfs/dbraw/zinc/53/10/85/531531085.db2.gz TZHRZEFVESIULZ-UHFFFAOYSA-N 2 1 385.310 1.455 20 0 GDADMP C[C@H](C[NH3+])N(C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415791071 531531232 /nfs/dbraw/zinc/53/12/32/531531232.db2.gz QJAQBAOXUGZNJM-LLVKDONJSA-N 2 1 385.310 1.407 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCCC[NH2+]C2CC2)cc1Br ZINC000415860997 531544290 /nfs/dbraw/zinc/54/42/90/531544290.db2.gz DAIHPIKQCGRONJ-UHFFFAOYSA-N 2 1 397.317 1.708 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000617505785 531661516 /nfs/dbraw/zinc/66/15/16/531661516.db2.gz QAUFGSMFAGSZHF-ZDUSSCGKSA-N 2 1 390.575 1.000 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000617505785 531661523 /nfs/dbraw/zinc/66/15/23/531661523.db2.gz QAUFGSMFAGSZHF-ZDUSSCGKSA-N 2 1 390.575 1.000 20 0 GDADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@H]3CNS(C)(=O)=O)sc2C1 ZINC000500543767 531661740 /nfs/dbraw/zinc/66/17/40/531661740.db2.gz FMYGEBJNMBFCIO-KBPBESRZSA-N 2 1 386.587 1.717 20 0 GDADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@H]3CNS(C)(=O)=O)sc2C1 ZINC000500543767 531661747 /nfs/dbraw/zinc/66/17/47/531661747.db2.gz FMYGEBJNMBFCIO-KBPBESRZSA-N 2 1 386.587 1.717 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCC[NH2+]C2CC2)CC1 ZINC000667663966 531783414 /nfs/dbraw/zinc/78/34/14/531783414.db2.gz LVUJEVYDGXXIJP-UHFFFAOYSA-N 2 1 397.321 1.469 20 0 GDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000641804595 531853271 /nfs/dbraw/zinc/85/32/71/531853271.db2.gz ZIWJSNIOYQNFGW-KBPBESRZSA-N 2 1 386.327 1.752 20 0 GDADMP [NH3+][C@@H](CNC(=O)c1sc2c(c1I)C[NH2+]C2)C1CC1 ZINC000595949664 531895954 /nfs/dbraw/zinc/89/59/54/531895954.db2.gz YPVVVFQOSRJDKT-QMMMGPOBSA-N 2 1 377.251 1.423 20 0 GDADMP C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595960006 531897122 /nfs/dbraw/zinc/89/71/22/531897122.db2.gz RMXGCECISMEATF-JGVFFNPUSA-N 2 1 391.278 1.908 20 0 GDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000625796667 531916057 /nfs/dbraw/zinc/91/60/57/531916057.db2.gz KZJUWHOCKKLKPN-ROUUACIJSA-N 2 1 383.330 1.714 20 0 GDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000625796667 531916060 /nfs/dbraw/zinc/91/60/60/531916060.db2.gz KZJUWHOCKKLKPN-ROUUACIJSA-N 2 1 383.330 1.714 20 0 GDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000428236310 532200986 /nfs/dbraw/zinc/20/09/86/532200986.db2.gz KAXCKQUTKPJERF-GDBMZVCRSA-N 2 1 386.334 1.826 20 0 GDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000736860369 598618691 /nfs/dbraw/zinc/61/86/91/598618691.db2.gz OBBSIMPLSYJYPE-GOSISDBHSA-N 2 1 394.527 1.721 20 0 GDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000736860369 598618692 /nfs/dbraw/zinc/61/86/92/598618692.db2.gz OBBSIMPLSYJYPE-GOSISDBHSA-N 2 1 394.527 1.721 20 0 GDADMP CC[N@H+](C)C[C@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821159980 599330320 /nfs/dbraw/zinc/33/03/20/599330320.db2.gz FJAANLLOZRBKJY-OAHLLOKOSA-N 2 1 381.488 1.665 20 0 GDADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821159980 599330322 /nfs/dbraw/zinc/33/03/22/599330322.db2.gz FJAANLLOZRBKJY-OAHLLOKOSA-N 2 1 381.488 1.665 20 0 GDADMP CC[NH+](C)C[C@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821159980 599330325 /nfs/dbraw/zinc/33/03/25/599330325.db2.gz FJAANLLOZRBKJY-OAHLLOKOSA-N 2 1 381.488 1.665 20 0 GDADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821159980 599330328 /nfs/dbraw/zinc/33/03/28/599330328.db2.gz FJAANLLOZRBKJY-OAHLLOKOSA-N 2 1 381.488 1.665 20 0 GDADMP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738389012 599590347 /nfs/dbraw/zinc/59/03/47/599590347.db2.gz VHOMDHSVCZBJKY-ZWKOTPCHSA-N 2 1 386.500 1.557 20 0 GDADMP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738389012 599590349 /nfs/dbraw/zinc/59/03/49/599590349.db2.gz VHOMDHSVCZBJKY-ZWKOTPCHSA-N 2 1 386.500 1.557 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000825848283 607524466 /nfs/dbraw/zinc/52/44/66/607524466.db2.gz BQCYWPLHBDIQFH-BHIYHBOVSA-N 2 1 386.500 1.819 20 0 GDADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361359 609337791 /nfs/dbraw/zinc/33/77/91/609337791.db2.gz UKDHWJAXMININO-ZWKOTPCHSA-N 2 1 378.484 1.984 20 0 GDADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361359 609337793 /nfs/dbraw/zinc/33/77/93/609337793.db2.gz UKDHWJAXMININO-ZWKOTPCHSA-N 2 1 378.484 1.984 20 0 GDADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261604230 645114556 /nfs/dbraw/zinc/11/45/56/645114556.db2.gz AAIXFTMODZSMRC-OAHLLOKOSA-N 2 1 381.318 1.676 20 0 GDADMP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261604230 645114560 /nfs/dbraw/zinc/11/45/60/645114560.db2.gz AAIXFTMODZSMRC-OAHLLOKOSA-N 2 1 381.318 1.676 20 0 GDADMP COCCCS(=O)(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370267488 645678294 /nfs/dbraw/zinc/67/82/94/645678294.db2.gz YXMRFYMACGKWAC-UHFFFAOYSA-N 2 1 375.579 1.481 20 0 GDADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000420350837 645940834 /nfs/dbraw/zinc/94/08/34/645940834.db2.gz VAAPWUCVNSPIKQ-HNNXBMFYSA-N 2 1 385.339 1.632 20 0 GDADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000420350837 645940837 /nfs/dbraw/zinc/94/08/37/645940837.db2.gz VAAPWUCVNSPIKQ-HNNXBMFYSA-N 2 1 385.339 1.632 20 0 GDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423352787 646123110 /nfs/dbraw/zinc/12/31/10/646123110.db2.gz BTNFCJFCXHWNIW-CMPLNLGQSA-N 2 1 376.320 1.889 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000578523284 651797253 /nfs/dbraw/zinc/79/72/53/651797253.db2.gz VJLORRDWLZYUIA-UHFFFAOYSA-N 2 1 397.317 1.531 20 0 GDADMP O=C(NCCC[NH2+]C1CC1)c1sc2c(c1I)C[NH2+]C2 ZINC000595955999 652430514 /nfs/dbraw/zinc/43/05/14/652430514.db2.gz FXJLRPUVFASRFK-UHFFFAOYSA-N 2 1 391.278 1.828 20 0 GDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000631835819 653257977 /nfs/dbraw/zinc/25/79/77/653257977.db2.gz YIWALSXWZVUUFK-OAHLLOKOSA-N 2 1 390.311 1.487 20 0 GDADMP O=C([C@@H]1CCC[N@H+](CCOc2ccccc2Br)C1)N1CC[NH2+]CC1 ZINC000647825606 653635504 /nfs/dbraw/zinc/63/55/04/653635504.db2.gz RKRLRWBYEMHYDB-OAHLLOKOSA-N 2 1 396.329 1.972 20 0 GDADMP C[NH+]1CCN([C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655910601 653993209 /nfs/dbraw/zinc/99/32/09/653993209.db2.gz ZYSJUQGRYASWEL-DGCLKSJQSA-N 2 1 379.452 1.225 20 0 GDADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000662751548 654301595 /nfs/dbraw/zinc/30/15/95/654301595.db2.gz KESOPSLEPZMKMW-IRXDYDNUSA-N 2 1 396.329 1.894 20 0 GDADMP [NH3+]CCCCCC[NH+]1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000846217152 655449999 /nfs/dbraw/zinc/44/99/99/655449999.db2.gz BJNCVIDWIKXJJS-UHFFFAOYSA-N 2 1 383.543 1.517 20 0 GDADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1sc2c(c1Br)C[NH2+]C2 ZINC000852798441 655622910 /nfs/dbraw/zinc/62/29/10/655622910.db2.gz KGEXGUJHZYUPBH-NXEZZACHSA-N 2 1 386.315 1.707 20 0 GDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1sc2c(c1Br)C[NH2+]C2 ZINC000852798441 655622911 /nfs/dbraw/zinc/62/29/11/655622911.db2.gz KGEXGUJHZYUPBH-NXEZZACHSA-N 2 1 386.315 1.707 20 0 GDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)nn1 ZINC000923375273 656547400 /nfs/dbraw/zinc/54/74/00/656547400.db2.gz IDPIQAIXWOFBDU-JKSUJKDBSA-N 2 1 380.290 1.870 20 0 GDADMP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CCCO1 ZINC000923379014 656547557 /nfs/dbraw/zinc/54/75/57/656547557.db2.gz MWIWPJZBJHRSDQ-QWHCGFSZSA-N 2 1 393.709 1.892 20 0 GDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CCCO1 ZINC000923379014 656547561 /nfs/dbraw/zinc/54/75/61/656547561.db2.gz MWIWPJZBJHRSDQ-QWHCGFSZSA-N 2 1 393.709 1.892 20 0 GDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@@H]2C1 ZINC000931434095 657099934 /nfs/dbraw/zinc/09/99/34/657099934.db2.gz MFANJGTZCFBEMF-OLZOCXBDSA-N 2 1 377.286 1.841 20 0 GDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@@H]2C1 ZINC000931434095 657099942 /nfs/dbraw/zinc/09/99/42/657099942.db2.gz MFANJGTZCFBEMF-OLZOCXBDSA-N 2 1 377.286 1.841 20 0 GDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@@H]2C1 ZINC000931434095 657099949 /nfs/dbraw/zinc/09/99/49/657099949.db2.gz MFANJGTZCFBEMF-OLZOCXBDSA-N 2 1 377.286 1.841 20 0 GDADMP COCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000884232256 657338303 /nfs/dbraw/zinc/33/83/03/657338303.db2.gz MJIJBJZTEHZDAP-INIZCTEOSA-N 2 1 384.318 1.894 20 0 GDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)CC2)C1 ZINC000884236610 657339251 /nfs/dbraw/zinc/33/92/51/657339251.db2.gz ZSQFYLOGZZMUDH-IAGOWNOFSA-N 2 1 395.345 1.687 20 0 GDADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164715537 720108974 /nfs/dbraw/zinc/10/89/74/720108974.db2.gz HMVTWELPIPVXHQ-SFHVURJKSA-N 2 1 394.523 1.982 20 0 GDADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164715537 720108980 /nfs/dbraw/zinc/10/89/80/720108980.db2.gz HMVTWELPIPVXHQ-SFHVURJKSA-N 2 1 394.523 1.982 20 0 GDADMP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(N(C)C)[nH+]1 ZINC001164748945 720814038 /nfs/dbraw/zinc/81/40/38/720814038.db2.gz SBLOGQKYDMYVEZ-CEXWTWQISA-N 2 1 396.543 1.822 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164748945 720814042 /nfs/dbraw/zinc/81/40/42/720814042.db2.gz SBLOGQKYDMYVEZ-CEXWTWQISA-N 2 1 396.543 1.822 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164748945 720814044 /nfs/dbraw/zinc/81/40/44/720814044.db2.gz SBLOGQKYDMYVEZ-CEXWTWQISA-N 2 1 396.543 1.822 20 0 GDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncc5c(n4)C[NH2+]C5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164745029 720828000 /nfs/dbraw/zinc/82/80/00/720828000.db2.gz VYACCMHCAMBLJL-AYBZRNKSSA-N 2 1 380.500 1.051 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cccc(N4CCOCC4)[nH+]3)CC[C@H]2C1 ZINC001164852052 720867790 /nfs/dbraw/zinc/86/77/90/720867790.db2.gz BYIMUBHFTKVAHF-ZWKOTPCHSA-N 2 1 376.501 1.092 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC[C@@H]2C1 ZINC001164859514 720869684 /nfs/dbraw/zinc/86/96/84/720869684.db2.gz UFHYMNQISBRRLE-IEBWSBKVSA-N 3 1 389.544 1.183 20 0 GDADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)CC[C@@H]2C1 ZINC001164859514 720869688 /nfs/dbraw/zinc/86/96/88/720869688.db2.gz UFHYMNQISBRRLE-IEBWSBKVSA-N 2 1 389.544 1.183 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)CC[C@@H]2C1 ZINC001164859514 720869689 /nfs/dbraw/zinc/86/96/89/720869689.db2.gz UFHYMNQISBRRLE-IEBWSBKVSA-N 2 1 389.544 1.183 20 0 GDADMP Clc1nc2c(c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164787667 721396890 /nfs/dbraw/zinc/39/68/90/721396890.db2.gz QPAGXKPZGRKMGS-TXEJJXNPSA-N 2 1 376.917 1.800 20 0 GDADMP Clc1nc2c(c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164787667 721396891 /nfs/dbraw/zinc/39/68/91/721396891.db2.gz QPAGXKPZGRKMGS-TXEJJXNPSA-N 2 1 376.917 1.800 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571294576 946139247 /nfs/dbraw/zinc/13/92/47/946139247.db2.gz JDOXPHIKVVATCJ-ZIAGYGMSSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[N@H+]1C ZINC001571295585 946170145 /nfs/dbraw/zinc/17/01/45/946170145.db2.gz YIUNFBTUZNLNRI-RVZJWNSFSA-N 2 1 389.529 1.349 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571295585 946170150 /nfs/dbraw/zinc/17/01/50/946170150.db2.gz YIUNFBTUZNLNRI-RVZJWNSFSA-N 2 1 389.529 1.349 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571295585 946170157 /nfs/dbraw/zinc/17/01/57/946170157.db2.gz YIUNFBTUZNLNRI-RVZJWNSFSA-N 2 1 389.529 1.349 20 0 GDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000826037793 947415671 /nfs/dbraw/zinc/41/56/71/947415671.db2.gz DZOPXXTVOHDWEM-UHFFFAOYSA-N 2 1 395.458 1.537 20 0 GDADMP CSC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826227633 947667285 /nfs/dbraw/zinc/66/72/85/947667285.db2.gz UWGDXRUMQZWFJZ-SFHVURJKSA-N 2 1 376.530 1.535 20 0 GDADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574917812 948829522 /nfs/dbraw/zinc/82/95/22/948829522.db2.gz CFUJVSBFXQVEST-CYBMUJFWSA-N 2 1 377.468 1.284 20 0 GDADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574917812 948829541 /nfs/dbraw/zinc/82/95/41/948829541.db2.gz CFUJVSBFXQVEST-CYBMUJFWSA-N 2 1 377.468 1.284 20 0 GDADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+]1CCCC1 ZINC001573774521 949011258 /nfs/dbraw/zinc/01/12/58/949011258.db2.gz UBVUPHGXJAZPMV-KRWDZBQOSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873685 949584548 /nfs/dbraw/zinc/58/45/48/949584548.db2.gz BOWFWIWNXKXQOM-MAUKXSAKSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873685 949584558 /nfs/dbraw/zinc/58/45/58/949584558.db2.gz BOWFWIWNXKXQOM-MAUKXSAKSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574718247 949773772 /nfs/dbraw/zinc/77/37/72/949773772.db2.gz ZNWSVDQSLNJQAH-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574724014 949860840 /nfs/dbraw/zinc/86/08/40/949860840.db2.gz DUVAGDXQTANKTF-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574151566 950084264 /nfs/dbraw/zinc/08/42/64/950084264.db2.gz VFIPMBFSTLZNEU-ROUUACIJSA-N 2 1 385.516 1.581 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576196945 950377124 /nfs/dbraw/zinc/37/71/24/950377124.db2.gz JWNOKONWRUYIID-NVXWUHKLSA-N 2 1 383.500 1.289 20 0 GDADMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576205048 950490341 /nfs/dbraw/zinc/49/03/41/950490341.db2.gz FXOLBECTUDJTKK-UKRRQHHQSA-N 2 1 391.545 1.500 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205995 950553234 /nfs/dbraw/zinc/55/32/34/950553234.db2.gz SMZDRJREJBBSJL-HPUBIQBYSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576207849 950600652 /nfs/dbraw/zinc/60/06/52/950600652.db2.gz KHRPRCOPCIZBNM-MGPQQGTHSA-N 2 1 389.529 1.254 20 0 GDADMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001574771617 950933004 /nfs/dbraw/zinc/93/30/04/950933004.db2.gz HPLGKDNUWSGTIN-DYVFJYSZSA-N 2 1 391.495 1.529 20 0 GDADMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001574771617 950933022 /nfs/dbraw/zinc/93/30/22/950933022.db2.gz HPLGKDNUWSGTIN-DYVFJYSZSA-N 2 1 391.495 1.529 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001575089872 951755662 /nfs/dbraw/zinc/75/56/62/951755662.db2.gz IDGNSSAEPACHRE-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571251388 953316640 /nfs/dbraw/zinc/31/66/40/953316640.db2.gz WWMZVLSBJSRVMO-YOEHRIQHSA-N 2 1 384.488 1.221 20 0 GDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571251388 953316643 /nfs/dbraw/zinc/31/66/43/953316643.db2.gz WWMZVLSBJSRVMO-YOEHRIQHSA-N 2 1 384.488 1.221 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000414318878 531438430 /nfs/dbraw/zinc/43/84/30/531438430.db2.gz YHILEICDNRDZGV-OLZOCXBDSA-N 2 1 388.331 1.813 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000414318878 531438435 /nfs/dbraw/zinc/43/84/35/531438435.db2.gz YHILEICDNRDZGV-OLZOCXBDSA-N 2 1 388.331 1.813 20 0 GDADMP C[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000294059616 531460007 /nfs/dbraw/zinc/46/00/07/531460007.db2.gz KCZWJMCVKLSYQT-DYVFJYSZSA-N 2 1 384.318 1.708 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCOc3ccc(Br)cc3C2)C1 ZINC000414757925 531462787 /nfs/dbraw/zinc/46/27/87/531462787.db2.gz MATQAERMIZNRFU-CYBMUJFWSA-N 2 1 382.302 1.841 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCOc3ccc(Br)cc3C2)C1 ZINC000414757925 531462791 /nfs/dbraw/zinc/46/27/91/531462791.db2.gz MATQAERMIZNRFU-CYBMUJFWSA-N 2 1 382.302 1.841 20 0 GDADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415497259 531490658 /nfs/dbraw/zinc/49/06/58/531490658.db2.gz OZXAKKJPGXHHGE-CQSZACIVSA-N 2 1 397.317 1.660 20 0 GDADMP C[C@H](CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[NH+](C)C ZINC000658429155 531511169 /nfs/dbraw/zinc/51/11/69/531511169.db2.gz VWQDGMKIQVRIFN-GFCCVEGCSA-N 2 1 399.333 1.906 20 0 GDADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000415560498 531494612 /nfs/dbraw/zinc/49/46/12/531494612.db2.gz FWKSOSWZRBJJLE-NEPJUHHUSA-N 2 1 397.317 1.645 20 0 GDADMP C[NH2+]CCCNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415781203 531528748 /nfs/dbraw/zinc/52/87/48/531528748.db2.gz CITHRZOCJXWSPN-UHFFFAOYSA-N 2 1 385.310 1.327 20 0 GDADMP C[C@H]([NH3+])CCNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415786573 531530022 /nfs/dbraw/zinc/53/00/22/531530022.db2.gz JWMQMKXJBXZDBB-NSHDSACASA-N 2 1 385.310 1.455 20 0 GDADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000659106202 531541593 /nfs/dbraw/zinc/54/15/93/531541593.db2.gz JUUSSXTXWCCLNQ-OAHLLOKOSA-N 2 1 399.333 1.939 20 0 GDADMP [NH3+]CCN(CCO)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000417572778 531781385 /nfs/dbraw/zinc/78/13/85/531781385.db2.gz PEYVSFFSKKZVEY-UHFFFAOYSA-N 2 1 389.327 1.920 20 0 GDADMP C[C@H](NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000320692984 532068514 /nfs/dbraw/zinc/06/85/14/532068514.db2.gz GXYJRQMPWSBTSJ-AWEZNQCLSA-N 2 1 383.334 1.463 20 0 GDADMP C[C@H](NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000320692984 532068520 /nfs/dbraw/zinc/06/85/20/532068520.db2.gz GXYJRQMPWSBTSJ-AWEZNQCLSA-N 2 1 383.334 1.463 20 0 GDADMP Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000423111225 532071847 /nfs/dbraw/zinc/07/18/47/532071847.db2.gz QGWKCYKESQRZTO-QWHCGFSZSA-N 2 1 376.320 1.505 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)c2cn(CCC[NH3+])nn2)cc1Br ZINC000423807314 532081132 /nfs/dbraw/zinc/08/11/32/532081132.db2.gz JLURBFBQOZCVAB-UHFFFAOYSA-N 2 1 381.278 1.703 20 0 GDADMP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccc(Cl)s1 ZINC000430622428 532253281 /nfs/dbraw/zinc/25/32/81/532253281.db2.gz FYILLFVSFQCQDG-ZDUSSCGKSA-N 2 1 384.933 1.162 20 0 GDADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccc(Cl)s1 ZINC000430622428 532253283 /nfs/dbraw/zinc/25/32/83/532253283.db2.gz FYILLFVSFQCQDG-ZDUSSCGKSA-N 2 1 384.933 1.162 20 0 GDADMP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C2 ZINC000738450677 598569369 /nfs/dbraw/zinc/56/93/69/598569369.db2.gz UKGUYHHTVZNKNL-SJORKVTESA-N 2 1 399.547 1.739 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825851765 607525494 /nfs/dbraw/zinc/52/54/94/607525494.db2.gz YCRNSLPRSIRNAD-KURKYZTESA-N 2 1 399.499 1.379 20 0 GDADMP CC1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820722571 606773586 /nfs/dbraw/zinc/77/35/86/606773586.db2.gz KBZFDBAOHUMOBI-UHFFFAOYSA-N 2 1 397.527 1.633 20 0 GDADMP COCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)CC1 ZINC000552100226 650619596 /nfs/dbraw/zinc/61/95/96/650619596.db2.gz CJASVARGMDFTOP-UHFFFAOYSA-N 2 1 389.949 1.627 20 0 GDADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261604228 645114494 /nfs/dbraw/zinc/11/44/94/645114494.db2.gz AAIXFTMODZSMRC-HNNXBMFYSA-N 2 1 381.318 1.676 20 0 GDADMP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261604228 645114497 /nfs/dbraw/zinc/11/44/97/645114497.db2.gz AAIXFTMODZSMRC-HNNXBMFYSA-N 2 1 381.318 1.676 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1Br ZINC000467238420 647638295 /nfs/dbraw/zinc/63/82/95/647638295.db2.gz MXBQMLFNUXCQOD-LBPRGKRZSA-N 2 1 397.317 1.517 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1Br ZINC000467238420 647638297 /nfs/dbraw/zinc/63/82/97/647638297.db2.gz MXBQMLFNUXCQOD-LBPRGKRZSA-N 2 1 397.317 1.517 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1Br ZINC000469482609 647712910 /nfs/dbraw/zinc/71/29/10/647712910.db2.gz VXPGUNNFSQOBDS-INIZCTEOSA-N 2 1 381.318 1.839 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1Br ZINC000469482609 647712916 /nfs/dbraw/zinc/71/29/16/647712916.db2.gz VXPGUNNFSQOBDS-INIZCTEOSA-N 2 1 381.318 1.839 20 0 GDADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000470177956 647721080 /nfs/dbraw/zinc/72/10/80/647721080.db2.gz GTKFBWHZNOZGQP-CYBMUJFWSA-N 2 1 386.338 1.566 20 0 GDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000515069066 648479382 /nfs/dbraw/zinc/47/93/82/648479382.db2.gz XCDKIMXUCWYUAH-LRDDRELGSA-N 2 1 385.306 1.465 20 0 GDADMP O=C([C@@H]1CCC[N@H+](CCOc2cccc(Br)c2)C1)N1CC[NH2+]CC1 ZINC000518979642 648616520 /nfs/dbraw/zinc/61/65/20/648616520.db2.gz PLHMBAUTOQYWOI-OAHLLOKOSA-N 2 1 396.329 1.972 20 0 GDADMP O=C(NC[C@@H]1CCC[NH2+]C1)c1sc2c(c1I)C[NH2+]C2 ZINC000595920500 652426990 /nfs/dbraw/zinc/42/69/90/652426990.db2.gz RSSGIVAEHIBYCD-MRVPVSSYSA-N 2 1 391.278 1.685 20 0 GDADMP CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629561915 653172187 /nfs/dbraw/zinc/17/21/87/653172187.db2.gz KKZWKNFRFBGPJM-MRXNPFEDSA-N 2 1 398.345 1.844 20 0 GDADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000631910030 653267246 /nfs/dbraw/zinc/26/72/46/653267246.db2.gz VFHLGUDQPNKITN-WMLDXEAASA-N 2 1 387.933 1.385 20 0 GDADMP CN(CCC[NH+](C)C)CC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000656683051 654046893 /nfs/dbraw/zinc/04/68/93/654046893.db2.gz XDDQSKRNARWXEQ-HNNXBMFYSA-N 2 1 389.313 1.588 20 0 GDADMP O=C(NCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cn1 ZINC000658096866 654182071 /nfs/dbraw/zinc/18/20/71/654182071.db2.gz SRGQXADULIUZFA-OAHLLOKOSA-N 2 1 397.317 1.417 20 0 GDADMP CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000851763321 655593746 /nfs/dbraw/zinc/59/37/46/655593746.db2.gz PAATTYBEPYNIRI-IRXDYDNUSA-N 2 1 377.466 1.673 20 0 GDADMP CC[N@@H+](C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@H]1CCC[NH2+]CC1 ZINC000923334059 656545906 /nfs/dbraw/zinc/54/59/06/656545906.db2.gz AJZQUNBWNZOMRD-JKSUJKDBSA-N 2 1 375.579 1.452 20 0 GDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878158562 656709595 /nfs/dbraw/zinc/70/95/95/656709595.db2.gz JGYDDUHWKPHBIM-STQMWFEESA-N 2 1 376.295 1.903 20 0 GDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878158562 656709598 /nfs/dbraw/zinc/70/95/98/656709598.db2.gz JGYDDUHWKPHBIM-STQMWFEESA-N 2 1 376.295 1.903 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)cc1Br ZINC000927886763 656850734 /nfs/dbraw/zinc/85/07/34/656850734.db2.gz IPNKYVBORPJALD-GFCCVEGCSA-N 2 1 397.317 1.647 20 0 GDADMP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000884362530 657350428 /nfs/dbraw/zinc/35/04/28/657350428.db2.gz MVRYTWALDHIRRF-RKDXNWHRSA-N 2 1 391.278 1.812 20 0 GDADMP CCN(C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000887004627 657735130 /nfs/dbraw/zinc/73/51/30/657735130.db2.gz SBEMCNVWZLBYEV-AWEZNQCLSA-N 2 1 397.317 1.660 20 0 GDADMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(C)nc2I)CC1 ZINC000894175763 658516917 /nfs/dbraw/zinc/51/69/17/658516917.db2.gz KXOHOFZOIOURKO-LBPRGKRZSA-N 2 1 391.301 1.140 20 0 GDADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(I)cnn2C)CC1 ZINC000894328950 658539125 /nfs/dbraw/zinc/53/91/25/658539125.db2.gz DGPYGADMUBMABX-UHFFFAOYSA-N 2 1 392.285 1.350 20 0 GDADMP C[NH+]1CCN(c2ncc(CNCc3cnc(Br)cn3)cn2)CC1 ZINC000895408996 658695151 /nfs/dbraw/zinc/69/51/51/658695151.db2.gz QIHBENQHTQBENE-UHFFFAOYSA-N 2 1 378.278 1.071 20 0 GDADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905029566 659417782 /nfs/dbraw/zinc/41/77/82/659417782.db2.gz YKUMMCVTPJJFGT-MRXNPFEDSA-N 2 1 375.579 1.450 20 0 GDADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCNC(=O)C23C[NH2+]C3)n1 ZINC001164411118 718879115 /nfs/dbraw/zinc/87/91/15/718879115.db2.gz MTGKSITYZKDRDF-UHFFFAOYSA-N 2 1 388.541 1.428 20 0 GDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ncc4c(n3)CC[NH2+]C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835767 720518682 /nfs/dbraw/zinc/51/86/82/720518682.db2.gz LGFSTZALPNBCJY-IMFGXOCKSA-N 2 1 381.528 1.697 20 0 GDADMP CC(C)n1ccc2c1nc[nH+]c2N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164749828 720961779 /nfs/dbraw/zinc/96/17/79/720961779.db2.gz HHZQMCLNGSFHDV-UHFFFAOYSA-N 2 1 397.483 1.854 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)C[C@H]3C2)cn1 ZINC001164765772 721181556 /nfs/dbraw/zinc/18/15/56/721181556.db2.gz IGFFGAIXZMIRIM-RBUKOAKNSA-N 3 1 395.555 1.701 20 0 GDADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cccc(N5CCC([NH3+])CC5)n4)C[C@H]3C2)cn1 ZINC001164765772 721181570 /nfs/dbraw/zinc/18/15/70/721181570.db2.gz IGFFGAIXZMIRIM-RBUKOAKNSA-N 2 1 395.555 1.701 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(N5CCC([NH3+])CC5)n4)C[C@H]3C2)cn1 ZINC001164765772 721181587 /nfs/dbraw/zinc/18/15/87/721181587.db2.gz IGFFGAIXZMIRIM-RBUKOAKNSA-N 2 1 395.555 1.701 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2CC[NH2+]CC3)[C@H]2CCCO[C@@H]12 ZINC001164795409 721526646 /nfs/dbraw/zinc/52/66/46/721526646.db2.gz OQIWNGQGXQDZST-PWRODBHTSA-N 2 1 394.523 1.428 20 0 GDADMP Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1C1C[NH2+]C1 ZINC001164801449 721592175 /nfs/dbraw/zinc/59/21/75/721592175.db2.gz DVANARDHSFSBSB-ZJOUEHCJSA-N 2 1 394.523 1.735 20 0 GDADMP Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1C1C[NH2+]C1 ZINC001164801449 721592176 /nfs/dbraw/zinc/59/21/76/721592176.db2.gz DVANARDHSFSBSB-ZJOUEHCJSA-N 2 1 394.523 1.735 20 0 GDADMP C(C[NH+]1CCCC1)[C@H]1CCCCN1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001165049053 721974594 /nfs/dbraw/zinc/97/45/94/721974594.db2.gz LWIPBDQSTCHECZ-QGZVFWFLSA-N 2 1 386.544 1.761 20 0 GDADMP C[C@H](CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@@H+](C)Cc1ccccc1 ZINC000820241128 945391340 /nfs/dbraw/zinc/39/13/40/945391340.db2.gz DSSVSYUTTHDFPV-NVXWUHKLSA-N 2 1 395.515 1.605 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571281698 945810133 /nfs/dbraw/zinc/81/01/33/945810133.db2.gz LZEPLVMDISAVKM-MWHAMWOXSA-N 2 1 387.463 1.084 20 0 GDADMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571281904 945820237 /nfs/dbraw/zinc/82/02/37/945820237.db2.gz BOSIURWCBBZREY-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571281904 945820251 /nfs/dbraw/zinc/82/02/51/945820251.db2.gz BOSIURWCBBZREY-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571281904 945820256 /nfs/dbraw/zinc/82/02/56/945820256.db2.gz BOSIURWCBBZREY-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571281904 945820266 /nfs/dbraw/zinc/82/02/66/945820266.db2.gz BOSIURWCBBZREY-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001571282145 945830119 /nfs/dbraw/zinc/83/01/19/945830119.db2.gz FCPVPHRHYCSMSM-PBHICJAKSA-N 2 1 387.463 1.133 20 0 GDADMP C[NH+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001571282145 945830133 /nfs/dbraw/zinc/83/01/33/945830133.db2.gz FCPVPHRHYCSMSM-PBHICJAKSA-N 2 1 387.463 1.133 20 0 GDADMP C[NH+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001571282145 945830144 /nfs/dbraw/zinc/83/01/44/945830144.db2.gz FCPVPHRHYCSMSM-PBHICJAKSA-N 2 1 387.463 1.133 20 0 GDADMP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575271366 949619909 /nfs/dbraw/zinc/61/99/09/949619909.db2.gz JWMKPICFWLPRLV-MAUKXSAKSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574962897 949744586 /nfs/dbraw/zinc/74/45/86/949744586.db2.gz DPURZWBKXOCXOD-IPYPFGDCSA-N 2 1 389.479 1.330 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574151273 950065894 /nfs/dbraw/zinc/06/58/94/950065894.db2.gz OLLDXSLLHCMXFZ-ZFWWWQNUSA-N 2 1 391.545 1.643 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574151835 950095882 /nfs/dbraw/zinc/09/58/82/950095882.db2.gz ZBFIHKPOAMHHOT-ZIAGYGMSSA-N 2 1 391.545 1.500 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001576198930 950417896 /nfs/dbraw/zinc/41/78/96/950417896.db2.gz WVPPEFOHDLYNLY-XJKSGUPXSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001576204520 950462366 /nfs/dbraw/zinc/46/23/66/950462366.db2.gz PWVCTMJACJSUBR-HNNXBMFYSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CCC2)C1 ZINC001576204836 950479223 /nfs/dbraw/zinc/47/92/23/950479223.db2.gz CWKHLGBORRXVSX-ZDUSSCGKSA-N 2 1 389.529 1.399 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001576205604 950527075 /nfs/dbraw/zinc/52/70/75/950527075.db2.gz KRQFVBVRWXEWKM-INIZCTEOSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576208684 950615166 /nfs/dbraw/zinc/61/51/66/950615166.db2.gz SMZDRJREJBBSJL-BFYDXBDKSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001574771389 950920075 /nfs/dbraw/zinc/92/00/75/950920075.db2.gz CTVUOZDUYDIWOA-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574771389 950920093 /nfs/dbraw/zinc/92/00/93/950920093.db2.gz CTVUOZDUYDIWOA-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574771389 950920110 /nfs/dbraw/zinc/92/01/10/950920110.db2.gz CTVUOZDUYDIWOA-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001574771910 950946680 /nfs/dbraw/zinc/94/66/80/950946680.db2.gz MRNCCACTTYCEMA-SUMWQHHRSA-N 2 1 391.495 1.529 20 0 GDADMP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CCC[NH+](C)C ZINC001574773708 950993804 /nfs/dbraw/zinc/99/38/04/950993804.db2.gz YPAXBGFXOLLDTB-ZDUSSCGKSA-N 2 1 377.468 1.284 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CCC[NH+](C)C ZINC001574773708 950993812 /nfs/dbraw/zinc/99/38/12/950993812.db2.gz YPAXBGFXOLLDTB-ZDUSSCGKSA-N 2 1 377.468 1.284 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575080452 951710155 /nfs/dbraw/zinc/71/01/55/951710155.db2.gz MDOALCJOLSLAHR-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575090622 951762183 /nfs/dbraw/zinc/76/21/83/951762183.db2.gz KWAUANZIUJHIAJ-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098704 951825133 /nfs/dbraw/zinc/82/51/33/951825133.db2.gz FGCODEDJOBTPCO-ZFWWWQNUSA-N 2 1 391.545 1.643 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575099422 951834698 /nfs/dbraw/zinc/83/46/98/951834698.db2.gz LQIUXHGOWFXGPR-UONOGXRCSA-N 2 1 391.545 1.739 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100208 951844470 /nfs/dbraw/zinc/84/44/70/951844470.db2.gz SBQFDTZGRRHXIZ-CHWSQXEVSA-N 2 1 377.518 1.112 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575105454 951893416 /nfs/dbraw/zinc/89/34/16/951893416.db2.gz JVVXYXOGBFFSBT-UKRRQHHQSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001571234088 953198954 /nfs/dbraw/zinc/19/89/54/953198954.db2.gz MYAHNPSHZIITMK-MRXNPFEDSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001571234088 953198958 /nfs/dbraw/zinc/19/89/58/953198958.db2.gz MYAHNPSHZIITMK-MRXNPFEDSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001571234088 953198963 /nfs/dbraw/zinc/19/89/63/953198963.db2.gz MYAHNPSHZIITMK-MRXNPFEDSA-N 2 1 383.500 1.243 20 0 GDADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001571234295 953200203 /nfs/dbraw/zinc/20/02/03/953200203.db2.gz STFGQPKLQKIYCD-SFHVURJKSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001571234295 953200206 /nfs/dbraw/zinc/20/02/06/953200206.db2.gz STFGQPKLQKIYCD-SFHVURJKSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1ccc(-c2nn[nH]n2)cc1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001571234295 953200208 /nfs/dbraw/zinc/20/02/08/953200208.db2.gz STFGQPKLQKIYCD-SFHVURJKSA-N 2 1 383.500 1.384 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571234572 953203566 /nfs/dbraw/zinc/20/35/66/953203566.db2.gz CBRVVWTWDLHZBP-KZNAEPCWSA-N 2 1 383.500 1.478 20 0 GDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571249658 953305176 /nfs/dbraw/zinc/30/51/76/953305176.db2.gz KEGLFCRAZXBJBU-WMLDXEAASA-N 2 1 384.488 1.077 20 0 GDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571249658 953305180 /nfs/dbraw/zinc/30/51/80/953305180.db2.gz KEGLFCRAZXBJBU-WMLDXEAASA-N 2 1 384.488 1.077 20 0 GDADMP Cc1cc(N2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571251963 953321992 /nfs/dbraw/zinc/32/19/92/953321992.db2.gz CVEBFXNPUNYCJM-INIZCTEOSA-N 2 1 384.488 1.093 20 0 GDADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CCS(=O)(=O)CC1 ZINC000527513555 531327141 /nfs/dbraw/zinc/32/71/41/531327141.db2.gz CYVWYSCOUMYUSE-WBVHZDCISA-N 2 1 385.599 1.840 20 0 GDADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414277053 531437158 /nfs/dbraw/zinc/43/71/58/531437158.db2.gz YUFBYEGXHXIZPL-UHFFFAOYSA-N 2 1 378.336 1.916 20 0 GDADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414277053 531437163 /nfs/dbraw/zinc/43/71/63/531437163.db2.gz YUFBYEGXHXIZPL-UHFFFAOYSA-N 2 1 378.336 1.916 20 0 GDADMP COCC[N@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414269232 531437191 /nfs/dbraw/zinc/43/71/91/531437191.db2.gz KMNPDUQQVSLLAV-UHFFFAOYSA-N 2 1 394.335 1.154 20 0 GDADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414269232 531437194 /nfs/dbraw/zinc/43/71/94/531437194.db2.gz KMNPDUQQVSLLAV-UHFFFAOYSA-N 2 1 394.335 1.154 20 0 GDADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414975732 531464136 /nfs/dbraw/zinc/46/41/36/531464136.db2.gz MMSYBXGCYLJBAD-QGZVFWFLSA-N 2 1 381.362 1.907 20 0 GDADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]([NH3+])c3ccccc3Br)C2)nn1 ZINC000662573511 531688739 /nfs/dbraw/zinc/68/87/39/531688739.db2.gz GFFOEHUAUDEGPZ-IUODEOHRSA-N 2 1 393.289 1.363 20 0 GDADMP [NH3+]CC12CC(C1)CN2C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595966959 531900845 /nfs/dbraw/zinc/90/08/45/531900845.db2.gz UGULCPUYFJFRES-UHFFFAOYSA-N 2 1 389.262 1.519 20 0 GDADMP Cc1cc(S(=O)(=O)NCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c(C)s1 ZINC000647909446 531903382 /nfs/dbraw/zinc/90/33/82/531903382.db2.gz OMMOPPAMBPIOLO-UHFFFAOYSA-N 2 1 389.587 1.468 20 0 GDADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649346688 531925900 /nfs/dbraw/zinc/92/59/00/531925900.db2.gz ANENIWYNKOLFES-FVQHAEBGSA-N 2 1 378.314 1.995 20 0 GDADMP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000571762870 531954479 /nfs/dbraw/zinc/95/44/79/531954479.db2.gz NSIVVIKQBFKKPN-UHFFFAOYSA-N 2 1 388.921 1.340 20 0 GDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000600731210 532053360 /nfs/dbraw/zinc/05/33/60/532053360.db2.gz PSWFYXQVMYEZSY-UHFFFAOYSA-N 2 1 391.253 1.398 20 0 GDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000600731210 532053366 /nfs/dbraw/zinc/05/33/66/532053366.db2.gz PSWFYXQVMYEZSY-UHFFFAOYSA-N 2 1 391.253 1.398 20 0 GDADMP C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430620205 532252902 /nfs/dbraw/zinc/25/29/02/532252902.db2.gz BWDMNVLUJNBAHM-UHFFFAOYSA-N 2 1 383.290 1.141 20 0 GDADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430647571 532254411 /nfs/dbraw/zinc/25/44/11/532254411.db2.gz YEUVXNPHAYKPJB-QWHCGFSZSA-N 2 1 397.317 1.563 20 0 GDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736236759 599028866 /nfs/dbraw/zinc/02/88/66/599028866.db2.gz MSYOOFDZLJHQGJ-IYBDPMFKSA-N 2 1 385.516 1.630 20 0 GDADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000736510226 598530832 /nfs/dbraw/zinc/53/08/32/598530832.db2.gz SHEWDYLQJAQXBE-INIZCTEOSA-N 2 1 381.488 1.346 20 0 GDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000736859911 598618659 /nfs/dbraw/zinc/61/86/59/598618659.db2.gz KBASJHTZZLGJAC-KRWDZBQOSA-N 2 1 385.516 1.347 20 0 GDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000736859911 598618660 /nfs/dbraw/zinc/61/86/60/598618660.db2.gz KBASJHTZZLGJAC-KRWDZBQOSA-N 2 1 385.516 1.347 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825849221 607525513 /nfs/dbraw/zinc/52/55/13/607525513.db2.gz IPEJFACQPSMSFJ-KZNAEPCWSA-N 2 1 399.499 1.379 20 0 GDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820684195 606891158 /nfs/dbraw/zinc/89/11/58/606891158.db2.gz MZIDCBPRHHOSOF-HLIPFELVSA-N 2 1 399.543 1.391 20 0 GDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000825594005 608281550 /nfs/dbraw/zinc/28/15/50/608281550.db2.gz HKHSFCBOWZLRRA-APWZRJJASA-N 2 1 388.516 1.972 20 0 GDADMP COc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1-c1nn[nH]n1 ZINC000826192194 608419255 /nfs/dbraw/zinc/41/92/55/608419255.db2.gz CXZDRGHJOZZJPY-KRWDZBQOSA-N 2 1 385.516 1.476 20 0 GDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000570162857 651027377 /nfs/dbraw/zinc/02/73/77/651027377.db2.gz SAPVATGVUMTFPF-RYUDHWBXSA-N 2 1 399.337 1.843 20 0 GDADMP C[C@H](C[NH2+]Cc1ncc(I)s1)CN1CC[NH+](C)CC1 ZINC000512135762 648397702 /nfs/dbraw/zinc/39/77/02/648397702.db2.gz OLKVLLPGZUSJDW-LLVKDONJSA-N 2 1 394.326 1.721 20 0 GDADMP C[NH2+][C@@H]1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595919564 652426387 /nfs/dbraw/zinc/42/63/87/652426387.db2.gz KDPMINMJQRFQTP-SSDOTTSWSA-N 2 1 377.251 1.390 20 0 GDADMP C[C@@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)C[C@@H](C)[NH2+]1 ZINC000595925298 652427604 /nfs/dbraw/zinc/42/76/04/652427604.db2.gz XTYCLMVKKCMLTQ-HTQZYQBOSA-N 2 1 391.278 1.778 20 0 GDADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C[NH2+]1 ZINC000626891884 653063557 /nfs/dbraw/zinc/06/35/57/653063557.db2.gz CPHQGHHFDNCGRF-BXUZGUMPSA-N 2 1 397.317 1.706 20 0 GDADMP [NH3+]C[C@@H](NC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C(F)(F)F ZINC000655914204 653993534 /nfs/dbraw/zinc/99/35/34/653993534.db2.gz LFXVWSRRNNURIG-SNVBAGLBSA-N 2 1 380.333 1.172 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000868163212 656142430 /nfs/dbraw/zinc/14/24/30/656142430.db2.gz FVUCGQKWAYLBJB-AULYBMBSSA-N 2 1 397.321 1.455 20 0 GDADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923288265 656542952 /nfs/dbraw/zinc/54/29/52/656542952.db2.gz ZAEQOTKFLQMGOO-OAHLLOKOSA-N 2 1 390.297 1.165 20 0 GDADMP C[NH+](C)C[C@@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000923661582 656580857 /nfs/dbraw/zinc/58/08/57/656580857.db2.gz HEBQDUGRRRQDQV-HUUCEWRRSA-N 2 1 379.448 1.980 20 0 GDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000878875592 656755184 /nfs/dbraw/zinc/75/51/84/656755184.db2.gz CJQBJSKJUMUNPB-HNNXBMFYSA-N 2 1 397.317 1.508 20 0 GDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000878875592 656755190 /nfs/dbraw/zinc/75/51/90/656755190.db2.gz CJQBJSKJUMUNPB-HNNXBMFYSA-N 2 1 397.317 1.508 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Br)nn1C ZINC000879637673 656810845 /nfs/dbraw/zinc/81/08/45/656810845.db2.gz VGACTRPJLNSYMW-NSHDSACASA-N 2 1 375.315 1.576 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Br)nn1C ZINC000879637673 656810852 /nfs/dbraw/zinc/81/08/52/656810852.db2.gz VGACTRPJLNSYMW-NSHDSACASA-N 2 1 375.315 1.576 20 0 GDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)CC2)C1 ZINC000884236612 657339071 /nfs/dbraw/zinc/33/90/71/657339071.db2.gz ZSQFYLOGZZMUDH-SJORKVTESA-N 2 1 395.345 1.687 20 0 GDADMP O=S(=O)(C(F)F)N1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903121115 659295487 /nfs/dbraw/zinc/29/54/87/659295487.db2.gz RNZOFPSSJYEACS-VHRNVKJDSA-N 2 1 377.501 1.998 20 0 GDADMP CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2C[N@@H+](C)CC3)c2c1CC[NH2+]C2 ZINC001164680625 719650211 /nfs/dbraw/zinc/65/02/11/719650211.db2.gz ZEHQRRHVCNWQOP-UHFFFAOYSA-N 2 1 389.935 1.790 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c2C[NH+](C)CC3)c2c1CC[NH2+]C2 ZINC001164680625 719650218 /nfs/dbraw/zinc/65/02/18/719650218.db2.gz ZEHQRRHVCNWQOP-UHFFFAOYSA-N 3 1 389.935 1.790 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c2C[NH+](C)CC3)c2c1CC[NH2+]C2 ZINC001164680625 719650223 /nfs/dbraw/zinc/65/02/23/719650223.db2.gz ZEHQRRHVCNWQOP-UHFFFAOYSA-N 3 1 389.935 1.790 20 0 GDADMP CC(C)[NH+](C)Cc1nn(-c2nc(Cl)nc3c2C[N@H+](C)CC3)c2c1CC[NH2+]C2 ZINC001164680625 719650228 /nfs/dbraw/zinc/65/02/28/719650228.db2.gz ZEHQRRHVCNWQOP-UHFFFAOYSA-N 3 1 389.935 1.790 20 0 GDADMP CC(C)[NH+](C)Cc1nn(-c2nc(Cl)nc3c2C[N@@H+](C)CC3)c2c1CC[NH2+]C2 ZINC001164680625 719650236 /nfs/dbraw/zinc/65/02/36/719650236.db2.gz ZEHQRRHVCNWQOP-UHFFFAOYSA-N 3 1 389.935 1.790 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)CC1 ZINC001164735089 720461877 /nfs/dbraw/zinc/46/18/77/720461877.db2.gz VYBFWLKMANHNMR-MOPGFXCFSA-N 2 1 379.512 1.477 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164735089 720461884 /nfs/dbraw/zinc/46/18/84/720461884.db2.gz VYBFWLKMANHNMR-MOPGFXCFSA-N 2 1 379.512 1.477 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)cc(C)[nH+]3)CC[C@H]2C1 ZINC001164847950 720831227 /nfs/dbraw/zinc/83/12/27/720831227.db2.gz LDNOBSSFMIGEAA-ZWKOTPCHSA-N 2 1 375.517 1.559 20 0 GDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(N3CC[NH+](C)CC3)nn1)[C@@H]2C ZINC001164855542 720926509 /nfs/dbraw/zinc/92/65/09/720926509.db2.gz IFZSBQRONYYDRW-QGZVFWFLSA-N 2 1 398.559 1.846 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)C[C@H]3C2)cn1 ZINC001164763337 721172362 /nfs/dbraw/zinc/17/23/62/721172362.db2.gz FLLBUCLKFUEMJS-RTBURBONSA-N 2 1 381.528 1.635 20 0 GDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)CC[NH2+]C3)[C@@H]2CCCO[C@H]12 ZINC001164806121 721536245 /nfs/dbraw/zinc/53/62/45/721536245.db2.gz OCIFLYGFHAOKAO-AQNXPRMDSA-N 2 1 380.496 1.386 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)CC[NH2+]C3)[C@@H]2CCCO[C@H]12 ZINC001164806121 721536249 /nfs/dbraw/zinc/53/62/49/721536249.db2.gz OCIFLYGFHAOKAO-AQNXPRMDSA-N 2 1 380.496 1.386 20 0 GDADMP CC(C)[C@H](C(=O)N1CCC[C@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571272477 945663315 /nfs/dbraw/zinc/66/33/15/945663315.db2.gz UEMDMWUNDKFNGM-WMLDXEAASA-N 2 1 386.504 1.275 20 0 GDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281856 945815607 /nfs/dbraw/zinc/81/56/07/945815607.db2.gz AXYYGYVCTSGPIF-HUUCEWRRSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281856 945815614 /nfs/dbraw/zinc/81/56/14/945815614.db2.gz AXYYGYVCTSGPIF-HUUCEWRRSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281856 945815623 /nfs/dbraw/zinc/81/56/23/945815623.db2.gz AXYYGYVCTSGPIF-HUUCEWRRSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281856 945815633 /nfs/dbraw/zinc/81/56/33/945815633.db2.gz AXYYGYVCTSGPIF-HUUCEWRRSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283140 945878339 /nfs/dbraw/zinc/87/83/39/945878339.db2.gz ZXYVWALKIGQLLO-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283140 945878347 /nfs/dbraw/zinc/87/83/47/945878347.db2.gz ZXYVWALKIGQLLO-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283140 945878356 /nfs/dbraw/zinc/87/83/56/945878356.db2.gz ZXYVWALKIGQLLO-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283140 945878369 /nfs/dbraw/zinc/87/83/69/945878369.db2.gz ZXYVWALKIGQLLO-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571294104 946125202 /nfs/dbraw/zinc/12/52/02/946125202.db2.gz ANXRFZLMQDXKJA-KBPBESRZSA-N 2 1 389.529 1.351 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571294104 946125208 /nfs/dbraw/zinc/12/52/08/946125208.db2.gz ANXRFZLMQDXKJA-KBPBESRZSA-N 2 1 389.529 1.351 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571294104 946125212 /nfs/dbraw/zinc/12/52/12/946125212.db2.gz ANXRFZLMQDXKJA-KBPBESRZSA-N 2 1 389.529 1.351 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294942 946150499 /nfs/dbraw/zinc/15/04/99/946150499.db2.gz MQSRWCAVWKAEOB-YDHLFZDLSA-N 2 1 389.529 1.397 20 0 GDADMP C[C@H](C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573673918 948117368 /nfs/dbraw/zinc/11/73/68/948117368.db2.gz MDMMMIXYOVXVEY-HUUCEWRRSA-N 2 1 384.488 1.221 20 0 GDADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873684 949588004 /nfs/dbraw/zinc/58/80/04/949588004.db2.gz BOWFWIWNXKXQOM-CRAIPNDOSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873684 949588016 /nfs/dbraw/zinc/58/80/16/949588016.db2.gz BOWFWIWNXKXQOM-CRAIPNDOSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575873991 949595757 /nfs/dbraw/zinc/59/57/57/949595757.db2.gz DEXBOUMWFDIGJF-TZMCWYRMSA-N 2 1 377.518 1.349 20 0 GDADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575879766 949692820 /nfs/dbraw/zinc/69/28/20/949692820.db2.gz RKNBEGKOEJVNNX-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575879766 949692833 /nfs/dbraw/zinc/69/28/33/949692833.db2.gz RKNBEGKOEJVNNX-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575285907 949962372 /nfs/dbraw/zinc/96/23/72/949962372.db2.gz RQUKTTKCXCSCBH-CQSZACIVSA-N 2 1 383.500 1.288 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574150638 950036968 /nfs/dbraw/zinc/03/69/68/950036968.db2.gz CVVAVAAOWKBUBD-QZTJIDSGSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574733181 950099735 /nfs/dbraw/zinc/09/97/35/950099735.db2.gz VCAHIYUTCJAVCH-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576191113 950185221 /nfs/dbraw/zinc/18/52/21/950185221.db2.gz DOADOXNTUSIOPC-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192681 950262266 /nfs/dbraw/zinc/26/22/66/950262266.db2.gz OSROJAQQLLCLQA-QAPCUYQASA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192681 950262285 /nfs/dbraw/zinc/26/22/85/950262285.db2.gz OSROJAQQLLCLQA-QAPCUYQASA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192681 950262310 /nfs/dbraw/zinc/26/23/10/950262310.db2.gz OSROJAQQLLCLQA-QAPCUYQASA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001576196469 950366111 /nfs/dbraw/zinc/36/61/11/950366111.db2.gz FDDSYVMWBQKGSW-INIZCTEOSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001576196469 950366132 /nfs/dbraw/zinc/36/61/32/950366132.db2.gz FDDSYVMWBQKGSW-INIZCTEOSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001576196469 950366155 /nfs/dbraw/zinc/36/61/55/950366155.db2.gz FDDSYVMWBQKGSW-INIZCTEOSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576197482 950400872 /nfs/dbraw/zinc/40/08/72/950400872.db2.gz OTQLERCMJBJTFT-AWEZNQCLSA-N 2 1 391.545 1.550 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576197482 950400887 /nfs/dbraw/zinc/40/08/87/950400887.db2.gz OTQLERCMJBJTFT-AWEZNQCLSA-N 2 1 391.545 1.550 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576197482 950400902 /nfs/dbraw/zinc/40/09/02/950400902.db2.gz OTQLERCMJBJTFT-AWEZNQCLSA-N 2 1 391.545 1.550 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001576198003 950405867 /nfs/dbraw/zinc/40/58/67/950405867.db2.gz RBAOUVUKIFAMPY-MRXNPFEDSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001576198003 950405878 /nfs/dbraw/zinc/40/58/78/950405878.db2.gz RBAOUVUKIFAMPY-MRXNPFEDSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001576198003 950405905 /nfs/dbraw/zinc/40/59/05/950405905.db2.gz RBAOUVUKIFAMPY-MRXNPFEDSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@H](CCC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576202820 950433724 /nfs/dbraw/zinc/43/37/24/950433724.db2.gz CDDGWYSXCWUYNT-JKSUJKDBSA-N 2 1 385.516 1.583 20 0 GDADMP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575912894 950469768 /nfs/dbraw/zinc/46/97/68/950469768.db2.gz RJJDNCFNCANETO-KSSFIOAISA-N 2 1 383.500 1.430 20 0 GDADMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576205046 950494218 /nfs/dbraw/zinc/49/42/18/950494218.db2.gz FXOLBECTUDJTKK-DZGCQCFKSA-N 2 1 391.545 1.500 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576205597 950527954 /nfs/dbraw/zinc/52/79/54/950527954.db2.gz KHRPRCOPCIZBNM-IYXRBSQSSA-N 2 1 389.529 1.254 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576205869 950543093 /nfs/dbraw/zinc/54/30/93/950543093.db2.gz QQYNXUWLSYAIAP-MXWWQKGMSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576206531 950571386 /nfs/dbraw/zinc/57/13/86/950571386.db2.gz XGYAORGIJFFLPM-ZIAGYGMSSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576214084 950661650 /nfs/dbraw/zinc/66/16/50/950661650.db2.gz MOSVVBRRFNWQHX-YUELXQCFSA-N 2 1 387.463 1.084 20 0 GDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001574771618 950933408 /nfs/dbraw/zinc/93/34/08/950933408.db2.gz HPLGKDNUWSGTIN-GUYCJALGSA-N 2 1 391.495 1.529 20 0 GDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001574771618 950933424 /nfs/dbraw/zinc/93/34/24/950933424.db2.gz HPLGKDNUWSGTIN-GUYCJALGSA-N 2 1 391.495 1.529 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[NH+](C)C1CCC1 ZINC001574774583 951006975 /nfs/dbraw/zinc/00/69/75/951006975.db2.gz DFMLADBUHDVAJQ-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574774583 951006988 /nfs/dbraw/zinc/00/69/88/951006988.db2.gz DFMLADBUHDVAJQ-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574774583 951007009 /nfs/dbraw/zinc/00/70/09/951007009.db2.gz DFMLADBUHDVAJQ-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089110 951745794 /nfs/dbraw/zinc/74/57/94/951745794.db2.gz DMEDKNVHJQQPSS-KGLIPLIRSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089114 951745818 /nfs/dbraw/zinc/74/58/18/951745818.db2.gz DMEDKNVHJQQPSS-ZIAGYGMSSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575091902 951784916 /nfs/dbraw/zinc/78/49/16/951784916.db2.gz YKNWGIZTDPTORO-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098701 951825338 /nfs/dbraw/zinc/82/53/38/951825338.db2.gz FGCODEDJOBTPCO-DZGCQCFKSA-N 2 1 391.545 1.643 20 0 GDADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575109933 951935672 /nfs/dbraw/zinc/93/56/72/951935672.db2.gz WBDYTMHDGSDIMO-QAPCUYQASA-N 2 1 385.516 1.678 20 0 GDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)[NH+](C)C ZINC001571234478 953202386 /nfs/dbraw/zinc/20/23/86/953202386.db2.gz ZFRXRFSYHACWLG-RCCFBDPRSA-N 2 1 383.500 1.240 20 0 GDADMP Cc1cc(N(C)[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252469 953328334 /nfs/dbraw/zinc/32/83/34/953328334.db2.gz NJDPAIUVAHNJHZ-ZBFHGGJFSA-N 2 1 384.488 1.092 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001571252689 953332160 /nfs/dbraw/zinc/33/21/60/953332160.db2.gz UCSXUHJPNJJWAD-GJZGRUSLSA-N 2 1 384.488 1.173 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001571252689 953332164 /nfs/dbraw/zinc/33/21/64/953332164.db2.gz UCSXUHJPNJJWAD-GJZGRUSLSA-N 2 1 384.488 1.173 20 0 GDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252778 953333194 /nfs/dbraw/zinc/33/31/94/953333194.db2.gz WFGQVOBIZDJDNZ-HNNXBMFYSA-N 2 1 384.488 1.031 20 0 GDADMP Cn1ncc(Br)c1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000278490120 531364529 /nfs/dbraw/zinc/36/45/29/531364529.db2.gz LYVQAMDFIFJXDQ-UHFFFAOYSA-N 2 1 394.317 1.764 20 0 GDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000442785798 531376301 /nfs/dbraw/zinc/37/63/01/531376301.db2.gz YJRGMDLEUYPASA-STQMWFEESA-N 2 1 386.327 1.706 20 0 GDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000442785798 531376306 /nfs/dbraw/zinc/37/63/06/531376306.db2.gz YJRGMDLEUYPASA-STQMWFEESA-N 2 1 386.327 1.706 20 0 GDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000484912384 531427246 /nfs/dbraw/zinc/42/72/46/531427246.db2.gz FCSKPCPFVDZSBD-CHWSQXEVSA-N 2 1 386.327 1.706 20 0 GDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000484912384 531427250 /nfs/dbraw/zinc/42/72/50/531427250.db2.gz FCSKPCPFVDZSBD-CHWSQXEVSA-N 2 1 386.327 1.706 20 0 GDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000414109296 531431753 /nfs/dbraw/zinc/43/17/53/531431753.db2.gz HBZWYXIZDUWOPF-HNNXBMFYSA-N 2 1 399.377 1.863 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415645355 531507070 /nfs/dbraw/zinc/50/70/70/531507070.db2.gz LNGZVPHAAMAZNO-CHWSQXEVSA-N 2 1 397.317 1.835 20 0 GDADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641221806 531788817 /nfs/dbraw/zinc/78/88/17/531788817.db2.gz IOFZJUCDUSGMGY-ZBFHGGJFSA-N 2 1 398.305 1.028 20 0 GDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1cccc(Br)c1 ZINC000297987425 531840149 /nfs/dbraw/zinc/84/01/49/531840149.db2.gz AERYNTMJQOIUOO-MRXNPFEDSA-N 2 1 384.318 1.578 20 0 GDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1cccc(Br)c1 ZINC000297987425 531840154 /nfs/dbraw/zinc/84/01/54/531840154.db2.gz AERYNTMJQOIUOO-MRXNPFEDSA-N 2 1 384.318 1.578 20 0 GDADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595949550 531895518 /nfs/dbraw/zinc/89/55/18/531895518.db2.gz WPOJVKJWNUBRBP-YUMQZZPRSA-N 2 1 391.278 1.765 20 0 GDADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000284311702 531947267 /nfs/dbraw/zinc/94/72/67/531947267.db2.gz ZBRLULQJCBRYIY-RHSMWYFYSA-N 2 1 384.571 1.021 20 0 GDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631063315 531998098 /nfs/dbraw/zinc/99/80/98/531998098.db2.gz BRICUZOPVYJOSR-UHFFFAOYSA-N 2 1 388.965 1.351 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)cnn1C ZINC000429822414 532235407 /nfs/dbraw/zinc/23/54/07/532235407.db2.gz UHZOBNYZBNZOET-CYBMUJFWSA-N 2 1 377.942 1.110 20 0 GDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825411679 608736199 /nfs/dbraw/zinc/73/61/99/608736199.db2.gz BSCPMRSGRYLKNO-QGZVFWFLSA-N 2 1 384.488 1.447 20 0 GDADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000568108837 650937737 /nfs/dbraw/zinc/93/77/37/650937737.db2.gz OVLXCLBFRGQHEE-UONOGXRCSA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000568108837 650937738 /nfs/dbraw/zinc/93/77/38/650937738.db2.gz OVLXCLBFRGQHEE-UONOGXRCSA-N 2 1 381.274 1.022 20 0 GDADMP C[C@@H]1C[NH+](CCCCCC[N@H+]2CC[S@](=O)C[C@@H](C)C2)CC[S@@](=O)C1 ZINC000369730944 645656300 /nfs/dbraw/zinc/65/63/00/645656300.db2.gz HBEKNYNLBQTHIX-LYWNTADJSA-N 2 1 376.632 1.948 20 0 GDADMP C[C@@H]1C[N@H+](CCCCCC[NH+]2CC[S@](=O)C[C@@H](C)C2)CC[S@@](=O)C1 ZINC000369730944 645656304 /nfs/dbraw/zinc/65/63/04/645656304.db2.gz HBEKNYNLBQTHIX-LYWNTADJSA-N 2 1 376.632 1.948 20 0 GDADMP C[C@@H]1C[N@@H+](CCCCCC[NH+]2CC[S@](=O)C[C@@H](C)C2)CC[S@@](=O)C1 ZINC000369730944 645656307 /nfs/dbraw/zinc/65/63/07/645656307.db2.gz HBEKNYNLBQTHIX-LYWNTADJSA-N 2 1 376.632 1.948 20 0 GDADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423390389 646123797 /nfs/dbraw/zinc/12/37/97/646123797.db2.gz VXBPYMMUABGTNH-FOGDFJRCSA-N 2 1 376.320 1.888 20 0 GDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000501077861 648128629 /nfs/dbraw/zinc/12/86/29/648128629.db2.gz PHFBGDCCQAMLQB-UHFFFAOYSA-N 2 1 399.329 1.987 20 0 GDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000515069071 648479436 /nfs/dbraw/zinc/47/94/36/648479436.db2.gz XCDKIMXUCWYUAH-WBMJQRKESA-N 2 1 385.306 1.465 20 0 GDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301719 651987527 /nfs/dbraw/zinc/98/75/27/651987527.db2.gz RPWLEXJVYHLSSZ-BLLLJJGKSA-N 2 1 389.309 1.784 20 0 GDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301719 651987531 /nfs/dbraw/zinc/98/75/31/651987531.db2.gz RPWLEXJVYHLSSZ-BLLLJJGKSA-N 2 1 389.309 1.784 20 0 GDADMP C[C@@](C[NH3+])(NC(=O)c1sc2c(c1I)C[NH2+]C2)C1CC1 ZINC000595923662 652426951 /nfs/dbraw/zinc/42/69/51/652426951.db2.gz AVBVVQQNRUYREP-ZDUSSCGKSA-N 2 1 391.278 1.813 20 0 GDADMP O=C(NCC[NH2+]C1CC1)c1sc2c(c1I)C[NH2+]C2 ZINC000595924875 652427258 /nfs/dbraw/zinc/42/72/58/652427258.db2.gz SONQSEBILUGTRA-UHFFFAOYSA-N 2 1 377.251 1.438 20 0 GDADMP C[N@@H+]1CC[C@H](CNC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595943467 652428471 /nfs/dbraw/zinc/42/84/71/652428471.db2.gz OYCSSVNAEPULRI-MRVPVSSYSA-N 2 1 391.278 1.637 20 0 GDADMP C[N@H+]1CC[C@H](CNC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595943467 652428473 /nfs/dbraw/zinc/42/84/73/652428473.db2.gz OYCSSVNAEPULRI-MRVPVSSYSA-N 2 1 391.278 1.637 20 0 GDADMP CN(CCOCC[NH3+])C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000602550244 652640855 /nfs/dbraw/zinc/64/08/55/652640855.db2.gz JNJPGYFVJZWNRI-UHFFFAOYSA-N 2 1 395.266 1.003 20 0 GDADMP C[C@]([NH3+])(C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000662905595 654317178 /nfs/dbraw/zinc/31/71/78/654317178.db2.gz FGYVLXJMYRSWID-DOTOQJQBSA-N 2 1 381.318 1.129 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000750855466 654862774 /nfs/dbraw/zinc/86/27/74/654862774.db2.gz GAZRCYWRLDXXPA-CQSZACIVSA-N 2 1 391.969 1.419 20 0 GDADMP C[C@]12CC[N@@H+](CCN3CC[NH2+]CC3)C[C@H]1C2(Br)Br ZINC000852755087 655622287 /nfs/dbraw/zinc/62/22/87/655622287.db2.gz XCFKZNDKUNDEQK-NEPJUHHUSA-N 2 1 381.156 1.720 20 0 GDADMP COc1cc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)c(Br)cn1 ZINC000857243668 655731777 /nfs/dbraw/zinc/73/17/77/655731777.db2.gz STMFNSYJPYLFCK-CYBMUJFWSA-N 2 1 387.278 1.960 20 0 GDADMP COc1cc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)c(Br)cn1 ZINC000857243668 655731778 /nfs/dbraw/zinc/73/17/78/655731778.db2.gz STMFNSYJPYLFCK-CYBMUJFWSA-N 2 1 387.278 1.960 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncc(Br)cn1 ZINC000931397776 657096912 /nfs/dbraw/zinc/09/69/12/657096912.db2.gz XXGXIHPGEADDPG-CQSZACIVSA-N 2 1 384.322 1.727 20 0 GDADMP Cc1nn(C)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1Br ZINC000903980128 659392060 /nfs/dbraw/zinc/39/20/60/659392060.db2.gz IXCYRNOJTRKMSO-GASCZTMLSA-N 2 1 382.350 1.892 20 0 GDADMP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1C[NH+]1CCCC1 ZINC001164742385 720758137 /nfs/dbraw/zinc/75/81/37/720758137.db2.gz OJQIZVPBCUEWQD-RTBURBONSA-N 2 1 380.496 1.809 20 0 GDADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164751739 720959455 /nfs/dbraw/zinc/95/94/55/720959455.db2.gz SVLRXOVXTFHJTA-UHFFFAOYSA-N 2 1 399.499 1.309 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2CC[NH2+]CC3)[C@@H]2CCCO[C@H]12 ZINC001164795408 721526334 /nfs/dbraw/zinc/52/63/34/721526334.db2.gz OQIWNGQGXQDZST-NJYVYQBISA-N 2 1 394.523 1.428 20 0 GDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)CC[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164806123 721536976 /nfs/dbraw/zinc/53/69/76/721536976.db2.gz OCIFLYGFHAOKAO-VAMGGRTRSA-N 2 1 380.496 1.386 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)CC[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164806123 721536977 /nfs/dbraw/zinc/53/69/77/721536977.db2.gz OCIFLYGFHAOKAO-VAMGGRTRSA-N 2 1 380.496 1.386 20 0 GDADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164908744 721537176 /nfs/dbraw/zinc/53/71/76/721537176.db2.gz QLKAGSOUWJAZCA-HKUYNNGSSA-N 2 1 398.486 1.367 20 0 GDADMP Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1C1C[NH2+]C1 ZINC001164801444 721592178 /nfs/dbraw/zinc/59/21/78/721592178.db2.gz DVANARDHSFSBSB-SVFBPWRDSA-N 2 1 394.523 1.735 20 0 GDADMP Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1C1C[NH2+]C1 ZINC001164801444 721592179 /nfs/dbraw/zinc/59/21/79/721592179.db2.gz DVANARDHSFSBSB-SVFBPWRDSA-N 2 1 394.523 1.735 20 0 GDADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001571266056 945528455 /nfs/dbraw/zinc/52/84/55/945528455.db2.gz VDCFWDUESHAFBL-QZTJIDSGSA-N 2 1 385.516 1.630 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571281610 945807862 /nfs/dbraw/zinc/80/78/62/945807862.db2.gz JXSGMSVUGYFFGL-RHSMWYFYSA-N 2 1 387.463 1.181 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926216 948991508 /nfs/dbraw/zinc/99/15/08/948991508.db2.gz LBZJYFVEICIDFE-GFCCVEGCSA-N 2 1 375.452 1.084 20 0 GDADMP C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268524 949521358 /nfs/dbraw/zinc/52/13/58/949521358.db2.gz NHMCEQRBGBLNDU-QWHCGFSZSA-N 2 1 389.529 1.207 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575878830 949686335 /nfs/dbraw/zinc/68/63/35/949686335.db2.gz PNSNRCIMLRNHRO-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574717750 949743235 /nfs/dbraw/zinc/74/32/35/949743235.db2.gz XBGMRPBWVLMYHH-CHWSQXEVSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574724962 949888188 /nfs/dbraw/zinc/88/81/88/949888188.db2.gz MZMUFFVWAISWBD-GFCCVEGCSA-N 2 1 377.518 1.349 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574725941 949919787 /nfs/dbraw/zinc/91/97/87/949919787.db2.gz WBTCKMMOYUDKTN-CYBMUJFWSA-N 2 1 377.468 1.283 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574153937 950157604 /nfs/dbraw/zinc/15/76/04/950157604.db2.gz YETQMTJOJYBTKZ-IAGOWNOFSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576194185 950331835 /nfs/dbraw/zinc/33/18/35/950331835.db2.gz XMCWOUCOYQDZOG-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576196981 950379401 /nfs/dbraw/zinc/37/94/01/950379401.db2.gz KXCKFLQWHWTLAL-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H](CCC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576202819 950433686 /nfs/dbraw/zinc/43/36/86/950433686.db2.gz CDDGWYSXCWUYNT-HZPDHXFCSA-N 2 1 385.516 1.583 20 0 GDADMP C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576202601 950435333 /nfs/dbraw/zinc/43/53/33/950435333.db2.gz BRHCXEYUWTURLG-LSDHHAIUSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576204724 950474305 /nfs/dbraw/zinc/47/43/05/950474305.db2.gz BBJWQCPMSWFCHR-KGLIPLIRSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001576205372 950515300 /nfs/dbraw/zinc/51/53/00/950515300.db2.gz YRXOEMGHFMQUKO-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576205372 950515320 /nfs/dbraw/zinc/51/53/20/950515320.db2.gz YRXOEMGHFMQUKO-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576205372 950515339 /nfs/dbraw/zinc/51/53/39/950515339.db2.gz YRXOEMGHFMQUKO-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576205595 950529595 /nfs/dbraw/zinc/52/95/95/950529595.db2.gz KHPZOYJFZYYILA-MRXNPFEDSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)CC2)C1 ZINC001576206337 950572886 /nfs/dbraw/zinc/57/28/86/950572886.db2.gz WQZRPRLQJUPPDM-ZDUSSCGKSA-N 2 1 387.463 1.086 20 0 GDADMP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575925734 950693335 /nfs/dbraw/zinc/69/33/35/950693335.db2.gz IFDYXRMBJQVGAC-HIFRSBDPSA-N 2 1 386.504 1.063 20 0 GDADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079363 951690083 /nfs/dbraw/zinc/69/00/83/951690083.db2.gz DCDBDUXNAXMSBZ-HIFRSBDPSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079909 951699636 /nfs/dbraw/zinc/69/96/36/951699636.db2.gz STYUODKUDNBUCR-KGLIPLIRSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575089704 951753912 /nfs/dbraw/zinc/75/39/12/951753912.db2.gz HUBGTPVNTWPKDQ-WBMJQRKESA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100467 951844062 /nfs/dbraw/zinc/84/40/62/951844062.db2.gz SNZCTRQXFOZURQ-CHWSQXEVSA-N 2 1 377.518 1.112 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001575104438 951886270 /nfs/dbraw/zinc/88/62/70/951886270.db2.gz COMOLFJTXPQVOO-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575106750 951907556 /nfs/dbraw/zinc/90/75/56/951907556.db2.gz UHFIFMBCPOZMCQ-GZBFAFLISA-N 2 1 389.479 1.283 20 0 GDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000189996185 530923735 /nfs/dbraw/zinc/92/37/35/530923735.db2.gz LZFYMKVLVVZOHL-SQNIBIBYSA-N 2 1 375.579 1.385 20 0 GDADMP O[C@@]1(C(F)(F)F)CC[NH+](CCOCC[N@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000246385984 531066401 /nfs/dbraw/zinc/06/64/01/531066401.db2.gz PGSAJGDNPKSLGR-RYUDHWBXSA-N 2 1 380.329 1.001 20 0 GDADMP O[C@@]1(C(F)(F)F)CC[NH+](CCOCC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000246385984 531066405 /nfs/dbraw/zinc/06/64/05/531066405.db2.gz PGSAJGDNPKSLGR-RYUDHWBXSA-N 2 1 380.329 1.001 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000262126567 531109419 /nfs/dbraw/zinc/10/94/19/531109419.db2.gz NEMXDLRYDHVOAG-GFCCVEGCSA-N 2 1 388.281 1.754 20 0 GDADMP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000435735887 531269655 /nfs/dbraw/zinc/26/96/55/531269655.db2.gz REWKHXVJFRBFHG-HOTGVXAUSA-N 2 1 386.587 1.535 20 0 GDADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000435735887 531269662 /nfs/dbraw/zinc/26/96/62/531269662.db2.gz REWKHXVJFRBFHG-HOTGVXAUSA-N 2 1 386.587 1.535 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000414318880 531439317 /nfs/dbraw/zinc/43/93/17/531439317.db2.gz YHILEICDNRDZGV-STQMWFEESA-N 2 1 388.331 1.813 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000414318880 531439319 /nfs/dbraw/zinc/43/93/19/531439319.db2.gz YHILEICDNRDZGV-STQMWFEESA-N 2 1 388.331 1.813 20 0 GDADMP C[N@@H+](CCOc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414680655 531461751 /nfs/dbraw/zinc/46/17/51/531461751.db2.gz NJUDRTRXCAVXQG-CQSZACIVSA-N 2 1 384.318 1.957 20 0 GDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000641803809 531853617 /nfs/dbraw/zinc/85/36/17/531853617.db2.gz HWMGVWTYYVZMIQ-OLZOCXBDSA-N 2 1 383.290 1.219 20 0 GDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595948588 531895140 /nfs/dbraw/zinc/89/51/40/531895140.db2.gz SLBHKZPDQSICJR-YUMQZZPRSA-N 2 1 391.278 1.765 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000825850811 607525465 /nfs/dbraw/zinc/52/54/65/607525465.db2.gz SGVSTCACVYIVNV-BHIYHBOVSA-N 2 1 386.500 1.819 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821266470 606544228 /nfs/dbraw/zinc/54/42/28/606544228.db2.gz DOLLYWQKJHBKAP-GOSISDBHSA-N 2 1 385.516 1.284 20 0 GDADMP O=C(NC1C[NH2+]C1)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000557250840 650722090 /nfs/dbraw/zinc/72/20/90/650722090.db2.gz HOIBLCMTPIOEOU-UHFFFAOYSA-N 2 1 385.295 1.162 20 0 GDADMP COCC[NH2+]CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000237173010 645082891 /nfs/dbraw/zinc/08/28/91/645082891.db2.gz BEOOOFQCKVCAOT-UHFFFAOYSA-N 2 1 384.318 1.766 20 0 GDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ncccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000323965245 645258967 /nfs/dbraw/zinc/25/89/67/645258967.db2.gz HHBLOBYVVMOTCV-HIFRSBDPSA-N 2 1 381.318 1.924 20 0 GDADMP O=C(NC[C@H]1CCC[N@H+](Cc2ncccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000323965245 645258972 /nfs/dbraw/zinc/25/89/72/645258972.db2.gz HHBLOBYVVMOTCV-HIFRSBDPSA-N 2 1 381.318 1.924 20 0 GDADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420345231 645940990 /nfs/dbraw/zinc/94/09/90/645940990.db2.gz ACEYCEIVQLGQMH-HNNXBMFYSA-N 2 1 385.339 1.931 20 0 GDADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000420350839 645941488 /nfs/dbraw/zinc/94/14/88/645941488.db2.gz VAAPWUCVNSPIKQ-OAHLLOKOSA-N 2 1 385.339 1.632 20 0 GDADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000420350839 645941491 /nfs/dbraw/zinc/94/14/91/645941491.db2.gz VAAPWUCVNSPIKQ-OAHLLOKOSA-N 2 1 385.339 1.632 20 0 GDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCc1scnc1C ZINC000571293564 651071928 /nfs/dbraw/zinc/07/19/28/651071928.db2.gz ANUCTEHZQSPBOF-INIZCTEOSA-N 2 1 388.603 1.672 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCc1scnc1C ZINC000571293564 651071931 /nfs/dbraw/zinc/07/19/31/651071931.db2.gz ANUCTEHZQSPBOF-INIZCTEOSA-N 2 1 388.603 1.672 20 0 GDADMP Cc1ccc(C[C@@H](CO)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1Br ZINC000572039567 651088832 /nfs/dbraw/zinc/08/88/32/651088832.db2.gz QQUGPRKPYDQROX-NVXWUHKLSA-N 2 1 385.346 1.953 20 0 GDADMP Cc1ccc(C[C@@H](CO)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1Br ZINC000572039567 651088833 /nfs/dbraw/zinc/08/88/33/651088833.db2.gz QQUGPRKPYDQROX-NVXWUHKLSA-N 2 1 385.346 1.953 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1Br ZINC000583563323 652041353 /nfs/dbraw/zinc/04/13/53/652041353.db2.gz PRKYGYQBQHBODA-CQSZACIVSA-N 2 1 383.290 1.317 20 0 GDADMP [NH3+][C@H]1CCCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595919078 652426406 /nfs/dbraw/zinc/42/64/06/652426406.db2.gz GWIOGTQJYPXQMR-ZETCQYMHSA-N 2 1 377.251 1.519 20 0 GDADMP C[NH+](C)C[C@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000637473254 653529330 /nfs/dbraw/zinc/52/93/30/653529330.db2.gz JSZBYSKHEXUJBD-RDJZCZTQSA-N 2 1 389.327 1.962 20 0 GDADMP CC(C)(O)C[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000638771708 653543337 /nfs/dbraw/zinc/54/33/37/653543337.db2.gz HUKJQVZUGABEHO-UHFFFAOYSA-N 2 1 395.978 1.505 20 0 GDADMP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662756512 654302201 /nfs/dbraw/zinc/30/22/01/654302201.db2.gz IJMWHBZZHYZJJY-CJNGLKHVSA-N 2 1 383.334 1.591 20 0 GDADMP O=S(=O)(NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1Cl ZINC000669851969 654511789 /nfs/dbraw/zinc/51/17/89/654511789.db2.gz FAXPRBALYHRZGC-ZIAGYGMSSA-N 2 1 375.897 1.974 20 0 GDADMP O=S(=O)(NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1Cl ZINC000669851969 654511791 /nfs/dbraw/zinc/51/17/91/654511791.db2.gz FAXPRBALYHRZGC-ZIAGYGMSSA-N 2 1 375.897 1.974 20 0 GDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc(Br)cc1F ZINC000849100796 655517290 /nfs/dbraw/zinc/51/72/90/655517290.db2.gz DGUKRWJJQLWQBX-UHFFFAOYSA-N 2 1 387.297 1.967 20 0 GDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000923321686 656544532 /nfs/dbraw/zinc/54/45/32/656544532.db2.gz OQXISFHUTINIGP-SAXRGWBVSA-N 2 1 383.290 1.345 20 0 GDADMP COCC[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)CC1CC[NH+](C)CC1 ZINC000877664805 656686835 /nfs/dbraw/zinc/68/68/35/656686835.db2.gz XNTUJVBDHPIXGW-UHFFFAOYSA-N 2 1 389.949 1.778 20 0 GDADMP C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000903228720 659307247 /nfs/dbraw/zinc/30/72/47/659307247.db2.gz AFBSZCHNOVHTOI-AWEZNQCLSA-N 2 1 391.559 1.335 20 0 GDADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000903426372 659315650 /nfs/dbraw/zinc/31/56/50/659315650.db2.gz IRGSMCPSCQOTBJ-QWHCGFSZSA-N 2 1 381.527 1.125 20 0 GDADMP C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000903809560 659382290 /nfs/dbraw/zinc/38/22/90/659382290.db2.gz DOOUDHDMYRJHKE-AWEZNQCLSA-N 2 1 391.281 1.768 20 0 GDADMP C[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000903809560 659382297 /nfs/dbraw/zinc/38/22/97/659382297.db2.gz DOOUDHDMYRJHKE-AWEZNQCLSA-N 2 1 391.281 1.768 20 0 GDADMP CCNS(=O)(=O)c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679435 719638008 /nfs/dbraw/zinc/63/80/08/719638008.db2.gz ALDURWCNKMOASJ-UHFFFAOYSA-N 2 1 392.529 1.051 20 0 GDADMP CCNS(=O)(=O)c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679435 719638017 /nfs/dbraw/zinc/63/80/17/719638017.db2.gz ALDURWCNKMOASJ-UHFFFAOYSA-N 2 1 392.529 1.051 20 0 GDADMP C[NH+]1CCN(c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nn2)CC1 ZINC001164729786 720337624 /nfs/dbraw/zinc/33/76/24/720337624.db2.gz YBSGSCTWOSRSRS-RBUKOAKNSA-N 2 1 379.512 1.477 20 0 GDADMP c1cc(C2CC[NH2+]CC2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737162 720735362 /nfs/dbraw/zinc/73/53/62/720735362.db2.gz AGGNIGDZANDFMS-DLBZAZTESA-N 2 1 381.484 1.076 20 0 GDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746246 720818711 /nfs/dbraw/zinc/81/87/11/720818711.db2.gz YRNOQVGRPYZGBL-ABSDTBQOSA-N 2 1 394.527 1.093 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(N5CCC([NH3+])CC5)n4)C[C@@H]3C2)cn1 ZINC001164773398 721167159 /nfs/dbraw/zinc/16/71/59/721167159.db2.gz WYVXOMORPNJNEQ-MSOLQXFVSA-N 2 1 396.543 1.096 20 0 GDADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@H+]3C2)c1 ZINC001164899168 721510388 /nfs/dbraw/zinc/51/03/88/721510388.db2.gz KPIYWRIOWOAXGZ-SJLPKXTDSA-N 2 1 383.471 1.646 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2CC[NH2+]C3)[C@H]2CCCO[C@@H]12 ZINC001164811203 721539038 /nfs/dbraw/zinc/53/90/38/721539038.db2.gz ZLLSIEXQBWUFST-XUVXKRRUSA-N 2 1 380.496 1.386 20 0 GDADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164906409 721546590 /nfs/dbraw/zinc/54/65/90/721546590.db2.gz LADHCAZYXAQAPN-CTNGQTDRSA-N 2 1 397.498 1.972 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc5c(n4)CC[NH2+]C5)CC[C@H]3C2)c1 ZINC001164980826 722104020 /nfs/dbraw/zinc/10/40/20/722104020.db2.gz KNEBZSMBGHNOEP-PZJWPPBQSA-N 2 1 379.508 1.850 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164980764 722105301 /nfs/dbraw/zinc/10/53/01/722105301.db2.gz KHUHQTTYNKDADR-XLIONFOSSA-N 2 1 380.496 1.245 20 0 GDADMP C[NH+](C)Cc1ccnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1 ZINC001165001949 722238661 /nfs/dbraw/zinc/23/86/61/722238661.db2.gz PJRHRDKULSACGP-UHFFFAOYSA-N 2 1 381.528 1.290 20 0 GDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571282639 945854339 /nfs/dbraw/zinc/85/43/39/945854339.db2.gz MWGWOGVAUYKEBX-VMBOVVBDSA-N 2 1 387.463 1.179 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571282862 945866318 /nfs/dbraw/zinc/86/63/18/945866318.db2.gz SYUKVHVAAJNZSO-HZPDHXFCSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571294730 946142756 /nfs/dbraw/zinc/14/27/56/946142756.db2.gz LIOVBDDEJINFPD-HIFRSBDPSA-N 2 1 389.529 1.493 20 0 GDADMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574918608 948856645 /nfs/dbraw/zinc/85/66/45/948856645.db2.gz OQBLYITZIMQGAN-CQSZACIVSA-N 2 1 391.545 1.741 20 0 GDADMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574918608 948856663 /nfs/dbraw/zinc/85/66/63/948856663.db2.gz OQBLYITZIMQGAN-CQSZACIVSA-N 2 1 391.545 1.741 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926296 948995202 /nfs/dbraw/zinc/99/52/02/948995202.db2.gz MYWFZTKCBNBPCK-HNNXBMFYSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926296 948995213 /nfs/dbraw/zinc/99/52/13/948995213.db2.gz MYWFZTKCBNBPCK-HNNXBMFYSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926296 948995226 /nfs/dbraw/zinc/99/52/26/948995226.db2.gz MYWFZTKCBNBPCK-HNNXBMFYSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575264180 949421414 /nfs/dbraw/zinc/42/14/14/949421414.db2.gz MJAWXJIIAWUAJT-YVEFUNNKSA-N 2 1 387.463 1.037 20 0 GDADMP C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268525 949524513 /nfs/dbraw/zinc/52/45/13/949524513.db2.gz NHMCEQRBGBLNDU-STQMWFEESA-N 2 1 389.529 1.207 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575872382 949542078 /nfs/dbraw/zinc/54/20/78/949542078.db2.gz IRQBWJAYAYEXTH-HIFRSBDPSA-N 2 1 384.488 1.077 20 0 GDADMP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574715973 949673789 /nfs/dbraw/zinc/67/37/89/949673789.db2.gz GQQKVTFHNYRBFD-ZIAGYGMSSA-N 2 1 391.545 1.739 20 0 GDADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575878331 949677338 /nfs/dbraw/zinc/67/73/38/949677338.db2.gz OOWQVKTZTZCIOH-CRAIPNDOSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575878331 949677346 /nfs/dbraw/zinc/67/73/46/949677346.db2.gz OOWQVKTZTZCIOH-CRAIPNDOSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574732959 950085244 /nfs/dbraw/zinc/08/52/44/950085244.db2.gz NYQHQFODYWAOKG-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574740254 950226670 /nfs/dbraw/zinc/22/66/70/950226670.db2.gz CXDKNYGYOLFEKH-MPGHIAIKSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576196216 950355122 /nfs/dbraw/zinc/35/51/22/950355122.db2.gz AXKQQPBDBVVEMM-CVEARBPZSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576197897 950398758 /nfs/dbraw/zinc/39/87/58/950398758.db2.gz PHSYFVPCAQNRJA-HIFRSBDPSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576202546 950428649 /nfs/dbraw/zinc/42/86/49/950428649.db2.gz ASQPCCMIBZRQMG-IIDMSEBBSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576202905 950437707 /nfs/dbraw/zinc/43/77/07/950437707.db2.gz FFGJOJQMZWUUEM-QRWLVFNGSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576202905 950437727 /nfs/dbraw/zinc/43/77/27/950437727.db2.gz FFGJOJQMZWUUEM-QRWLVFNGSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576202905 950437747 /nfs/dbraw/zinc/43/77/47/950437747.db2.gz FFGJOJQMZWUUEM-QRWLVFNGSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204297 950458809 /nfs/dbraw/zinc/45/88/09/950458809.db2.gz NMUVHQUGXQHPDA-YWZLYKJASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204297 950458818 /nfs/dbraw/zinc/45/88/18/950458818.db2.gz NMUVHQUGXQHPDA-YWZLYKJASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204297 950458831 /nfs/dbraw/zinc/45/88/31/950458831.db2.gz NMUVHQUGXQHPDA-YWZLYKJASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205255 950505541 /nfs/dbraw/zinc/50/55/41/950505541.db2.gz HZBKNBKUEUMZIG-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205255 950505555 /nfs/dbraw/zinc/50/55/55/950505555.db2.gz HZBKNBKUEUMZIG-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205255 950505568 /nfs/dbraw/zinc/50/55/68/950505568.db2.gz HZBKNBKUEUMZIG-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205255 950505583 /nfs/dbraw/zinc/50/55/83/950505583.db2.gz HZBKNBKUEUMZIG-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576205950 950549492 /nfs/dbraw/zinc/54/94/92/950549492.db2.gz RNVDJVMLJGDSQB-YJBOKZPZSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576206594 950576556 /nfs/dbraw/zinc/57/65/56/950576556.db2.gz YBAVXAWXUCZTAV-ZIAGYGMSSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576216057 950722547 /nfs/dbraw/zinc/72/25/47/950722547.db2.gz YETQJKXCOGOGNH-BFYDXBDKSA-N 2 1 383.500 1.193 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574521804 950786314 /nfs/dbraw/zinc/78/63/14/950786314.db2.gz HYBJSFOIBSFXQF-KBPBESRZSA-N 2 1 391.495 1.719 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574524670 950865365 /nfs/dbraw/zinc/86/53/65/950865365.db2.gz YHZDFSWPEIHFSS-UONOGXRCSA-N 2 1 391.495 1.719 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574524671 950866056 /nfs/dbraw/zinc/86/60/56/950866056.db2.gz YHZDFSWPEIHFSS-ZIAGYGMSSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082165 951731268 /nfs/dbraw/zinc/73/12/68/951731268.db2.gz VHHFUXPXLNIHRY-GZBFAFLISA-N 2 1 389.479 1.188 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575101926 951866557 /nfs/dbraw/zinc/86/65/57/951866557.db2.gz KAACFCRTXKULGC-WBMJQRKESA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571233803 953196139 /nfs/dbraw/zinc/19/61/39/953196139.db2.gz DOTWZRYXEVHBNB-HDMKZQKVSA-N 2 1 383.500 1.145 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234682 953204319 /nfs/dbraw/zinc/20/43/19/953204319.db2.gz FTVZRIDXHQENAK-SJORKVTESA-N 2 1 383.500 1.147 20 0 GDADMP Cc1cc(N(C)[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252540 953329811 /nfs/dbraw/zinc/32/98/11/953329811.db2.gz PDONOEKDEIAFPY-OAHLLOKOSA-N 2 1 384.488 1.092 20 0 GDADMP Brc1cccc(-c2noc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000261602637 531093684 /nfs/dbraw/zinc/09/36/84/531093684.db2.gz BUBLSEFSWRTMIR-OAHLLOKOSA-N 2 1 392.301 1.979 20 0 GDADMP Brc1cccc(-c2noc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000261602637 531093688 /nfs/dbraw/zinc/09/36/88/531093688.db2.gz BUBLSEFSWRTMIR-OAHLLOKOSA-N 2 1 392.301 1.979 20 0 GDADMP COC(=O)[C@H]1CSCC[NH+](CCC[N@H+]2CCSC[C@H](C(=O)OC)C2)C1 ZINC000412088312 531359080 /nfs/dbraw/zinc/35/90/80/531359080.db2.gz WMNDJDKVATVYFS-HUUCEWRRSA-N 2 1 390.571 1.053 20 0 GDADMP COC(=O)[C@H]1CSCC[NH+](CCC[N@@H+]2CCSC[C@H](C(=O)OC)C2)C1 ZINC000412088312 531359085 /nfs/dbraw/zinc/35/90/85/531359085.db2.gz WMNDJDKVATVYFS-HUUCEWRRSA-N 2 1 390.571 1.053 20 0 GDADMP C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)CC1CC[NH+](C)CC1 ZINC000638029510 531641629 /nfs/dbraw/zinc/64/16/29/531641629.db2.gz QFOIIXYWBKTFOU-UHFFFAOYSA-N 2 1 390.347 1.870 20 0 GDADMP C[NH2+][C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cccc(Cl)c1Cl ZINC000662426528 531678336 /nfs/dbraw/zinc/67/83/36/531678336.db2.gz TTWYIIHGPRAUET-GFCCVEGCSA-N 2 1 384.271 1.420 20 0 GDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595950373 531896080 /nfs/dbraw/zinc/89/60/80/531896080.db2.gz KZQULNJFHXUFRR-VXNVDRBHSA-N 2 1 391.278 1.684 20 0 GDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(COC)CCC1 ZINC000651543692 531936958 /nfs/dbraw/zinc/93/69/58/531936958.db2.gz BWMOBVKHDPVWJP-KRWDZBQOSA-N 2 1 375.579 1.481 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(COC)CCC1 ZINC000651543692 531936973 /nfs/dbraw/zinc/93/69/73/531936973.db2.gz BWMOBVKHDPVWJP-KRWDZBQOSA-N 2 1 375.579 1.481 20 0 GDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000572992649 531973618 /nfs/dbraw/zinc/97/36/18/531973618.db2.gz XEMQJZWJWUDWBF-LLVKDONJSA-N 2 1 395.305 1.374 20 0 GDADMP COC(=O)C[C@H](N)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000574914764 532002846 /nfs/dbraw/zinc/00/28/46/532002846.db2.gz JGADKRCVAXMTJJ-HNNXBMFYSA-N 2 1 388.295 1.964 20 0 GDADMP C[N@H+](C[C@H](O)C[NH2+]CCCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000577384839 532035960 /nfs/dbraw/zinc/03/59/60/532035960.db2.gz BYDXGILAUJULBR-MRXNPFEDSA-N 2 1 384.318 1.614 20 0 GDADMP C[N@@H+](C[C@H](O)C[NH2+]CCCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000577384839 532035964 /nfs/dbraw/zinc/03/59/64/532035964.db2.gz BYDXGILAUJULBR-MRXNPFEDSA-N 2 1 384.318 1.614 20 0 GDADMP [NH3+]C[C@@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000600728366 532053328 /nfs/dbraw/zinc/05/33/28/532053328.db2.gz TWHIMEJXRZYODT-RKDXNWHRSA-N 2 1 378.317 1.224 20 0 GDADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000600728366 532053335 /nfs/dbraw/zinc/05/33/35/532053335.db2.gz TWHIMEJXRZYODT-RKDXNWHRSA-N 2 1 378.317 1.224 20 0 GDADMP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430624209 532253198 /nfs/dbraw/zinc/25/31/98/532253198.db2.gz ISVNFWWVPURTOS-CHWSQXEVSA-N 2 1 397.317 1.563 20 0 GDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000736857317 598620086 /nfs/dbraw/zinc/62/00/86/598620086.db2.gz QHUOEOZKPQFAOY-UHFFFAOYSA-N 2 1 383.500 1.243 20 0 GDADMP O[C@@H](C[NH+]1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1)c1ccccc1 ZINC000823675586 599431880 /nfs/dbraw/zinc/43/18/80/599431880.db2.gz YDEYNLIOPAKACL-SFHVURJKSA-N 2 1 382.468 1.995 20 0 GDADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821188582 599590386 /nfs/dbraw/zinc/59/03/86/599590386.db2.gz AKJLLLIZLWAFPT-ZDUSSCGKSA-N 2 1 377.518 1.921 20 0 GDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821188582 599590389 /nfs/dbraw/zinc/59/03/89/599590389.db2.gz AKJLLLIZLWAFPT-ZDUSSCGKSA-N 2 1 377.518 1.921 20 0 GDADMP CCC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC000825226270 607792284 /nfs/dbraw/zinc/79/22/84/607792284.db2.gz ZNGRRQYGWAHNTF-SFHVURJKSA-N 2 1 385.516 1.631 20 0 GDADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361354 609337773 /nfs/dbraw/zinc/33/77/73/609337773.db2.gz UJWWQQDYQYJAPW-AWEZNQCLSA-N 2 1 378.484 1.841 20 0 GDADMP O=C1[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477194 609415676 /nfs/dbraw/zinc/41/56/76/609415676.db2.gz XRPFQRWDWCZGCA-GOEBONIOSA-N 2 1 378.440 1.163 20 0 GDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423406361 646124718 /nfs/dbraw/zinc/12/47/18/646124718.db2.gz USKAQEPRNLDCAT-GBIKHYSHSA-N 2 1 376.320 1.745 20 0 GDADMP [NH3+]C1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC1 ZINC000595919053 652426394 /nfs/dbraw/zinc/42/63/94/652426394.db2.gz FNPPSNNEOWYJFD-UHFFFAOYSA-N 2 1 377.251 1.519 20 0 GDADMP C[C@H]1CC[C@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C[NH2+]1 ZINC000602552182 652640816 /nfs/dbraw/zinc/64/08/16/652640816.db2.gz GLLWVDCGNFSLOP-YUMQZZPRSA-N 2 1 391.278 1.826 20 0 GDADMP CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629561914 653172319 /nfs/dbraw/zinc/17/23/19/653172319.db2.gz KKZWKNFRFBGPJM-INIZCTEOSA-N 2 1 398.345 1.844 20 0 GDADMP CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC000631977245 653283819 /nfs/dbraw/zinc/28/38/19/653283819.db2.gz NDGOWPHGYABJNO-QZTJIDSGSA-N 2 1 375.579 1.529 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000632952543 653416300 /nfs/dbraw/zinc/41/63/00/653416300.db2.gz KLVBUYLZEKCWAV-STQMWFEESA-N 2 1 395.305 1.174 20 0 GDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000639776683 653553764 /nfs/dbraw/zinc/55/37/64/653553764.db2.gz OTXVKNOSUMBVMU-HNNXBMFYSA-N 2 1 397.317 1.461 20 0 GDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000639776683 653553768 /nfs/dbraw/zinc/55/37/68/653553768.db2.gz OTXVKNOSUMBVMU-HNNXBMFYSA-N 2 1 397.317 1.461 20 0 GDADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1ccc(Br)cc1 ZINC000647517850 653628030 /nfs/dbraw/zinc/62/80/30/653628030.db2.gz MCLFDZPWUCRVSS-JKSUJKDBSA-N 2 1 387.318 1.625 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000787920404 654975967 /nfs/dbraw/zinc/97/59/67/654975967.db2.gz HDPHLPKKXJYXNF-CYBMUJFWSA-N 2 1 392.928 1.911 20 0 GDADMP COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cnc1Br ZINC000855346883 655692469 /nfs/dbraw/zinc/69/24/69/655692469.db2.gz NCNTXLASDLKQER-LBPRGKRZSA-N 2 1 387.322 1.855 20 0 GDADMP COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cnc1Br ZINC000855346883 655692471 /nfs/dbraw/zinc/69/24/71/655692471.db2.gz NCNTXLASDLKQER-LBPRGKRZSA-N 2 1 387.322 1.855 20 0 GDADMP O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923308573 656543835 /nfs/dbraw/zinc/54/38/35/656543835.db2.gz FHKUSMSFKMSUSM-INIZCTEOSA-N 2 1 394.313 1.585 20 0 GDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)nn1 ZINC000923375272 656547540 /nfs/dbraw/zinc/54/75/40/656547540.db2.gz IDPIQAIXWOFBDU-HZPDHXFCSA-N 2 1 380.290 1.870 20 0 GDADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000925204308 656700541 /nfs/dbraw/zinc/70/05/41/656700541.db2.gz FJGRDUYBUPBWJM-MRXNPFEDSA-N 2 1 375.579 1.526 20 0 GDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905065750 659420328 /nfs/dbraw/zinc/42/03/28/659420328.db2.gz KUZXWOGHLCQBSB-JKSUJKDBSA-N 2 1 375.579 1.309 20 0 GDADMP COCCn1ccc2c1ncnc2-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681293 719626233 /nfs/dbraw/zinc/62/62/33/719626233.db2.gz GEKNQMFXYBFMLH-UHFFFAOYSA-N 2 1 383.500 1.749 20 0 GDADMP COCCn1ccc2c1ncnc2-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681293 719626239 /nfs/dbraw/zinc/62/62/39/719626239.db2.gz GEKNQMFXYBFMLH-UHFFFAOYSA-N 2 1 383.500 1.749 20 0 GDADMP COCc1nn(-c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c2c1C[NH2+]C2 ZINC001164712387 720079480 /nfs/dbraw/zinc/07/94/80/720079480.db2.gz PGQWGUUBMHSRSR-UHFFFAOYSA-N 2 1 376.464 1.970 20 0 GDADMP COCc1nn(-c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c2c1C[NH2+]C2 ZINC001164712387 720079488 /nfs/dbraw/zinc/07/94/88/720079488.db2.gz PGQWGUUBMHSRSR-UHFFFAOYSA-N 2 1 376.464 1.970 20 0 GDADMP CCN(C)c1cc[nH+]c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164818691 720285709 /nfs/dbraw/zinc/28/57/09/720285709.db2.gz MDCNFHRIETVBSR-ROUUACIJSA-N 2 1 386.544 1.844 20 0 GDADMP Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164738715 720626521 /nfs/dbraw/zinc/62/65/21/720626521.db2.gz DEBYRCLFZBWHAK-IRXDYDNUSA-N 2 1 381.484 1.517 20 0 GDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5c4C[NH2+]C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738829 720820865 /nfs/dbraw/zinc/82/08/65/720820865.db2.gz GVRASKVZMQIFOI-TXPKVOOTSA-N 2 1 380.500 1.051 20 0 GDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5c4C[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738829 720820868 /nfs/dbraw/zinc/82/08/68/720820868.db2.gz GVRASKVZMQIFOI-TXPKVOOTSA-N 2 1 380.500 1.051 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282782 945862307 /nfs/dbraw/zinc/86/23/07/945862307.db2.gz QVGJJULCAXDHFU-LSDHHAIUSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282782 945862319 /nfs/dbraw/zinc/86/23/19/945862319.db2.gz QVGJJULCAXDHFU-LSDHHAIUSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282782 945862337 /nfs/dbraw/zinc/86/23/37/945862337.db2.gz QVGJJULCAXDHFU-LSDHHAIUSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294126 946125503 /nfs/dbraw/zinc/12/55/03/946125503.db2.gz BGNGLWLAVNBMSQ-DZGCQCFKSA-N 2 1 389.529 1.351 20 0 GDADMP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000826513595 948436876 /nfs/dbraw/zinc/43/68/76/948436876.db2.gz PURVDFZMPHDIMA-UXHICEINSA-N 2 1 397.527 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574926175 948986250 /nfs/dbraw/zinc/98/62/50/948986250.db2.gz JXJYDEIGTCHATR-LBPRGKRZSA-N 2 1 375.452 1.084 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574957031 949596681 /nfs/dbraw/zinc/59/66/81/949596681.db2.gz QNDNCRXNDQQRIM-GZBFAFLISA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574957031 949596694 /nfs/dbraw/zinc/59/66/94/949596694.db2.gz QNDNCRXNDQQRIM-GZBFAFLISA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574957031 949596708 /nfs/dbraw/zinc/59/67/08/949596708.db2.gz QNDNCRXNDQQRIM-GZBFAFLISA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575874011 949600589 /nfs/dbraw/zinc/60/05/89/949600589.db2.gz DKCCZCSUAMJACA-CRAIPNDOSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574716159 949684768 /nfs/dbraw/zinc/68/47/68/949684768.db2.gz NJVUGQZQYIBNKD-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576194280 950337580 /nfs/dbraw/zinc/33/75/80/950337580.db2.gz YQTLUQVDJDDOLF-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576198346 950405612 /nfs/dbraw/zinc/40/56/12/950405612.db2.gz SBIHACLVANNMDP-NVXWUHKLSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576203754 950451621 /nfs/dbraw/zinc/45/16/21/950451621.db2.gz JEPQMDVMITXVJG-KBXCAEBGSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CCC2)C1 ZINC001576204834 950476865 /nfs/dbraw/zinc/47/68/65/950476865.db2.gz CWKHLGBORRXVSX-CYBMUJFWSA-N 2 1 389.529 1.399 20 0 GDADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576205043 950493939 /nfs/dbraw/zinc/49/39/39/950493939.db2.gz FWBFJPGTGMYQEA-UONOGXRCSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576205594 950528228 /nfs/dbraw/zinc/52/82/28/950528228.db2.gz KHPZOYJFZYYILA-INIZCTEOSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576205996 950553126 /nfs/dbraw/zinc/55/31/26/950553126.db2.gz SMZDRJREJBBSJL-UQPPLGOBSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576206110 950557363 /nfs/dbraw/zinc/55/73/63/950557363.db2.gz URROBHMBYYOOQI-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576206110 950557379 /nfs/dbraw/zinc/55/73/79/950557379.db2.gz URROBHMBYYOOQI-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576206110 950557393 /nfs/dbraw/zinc/55/73/93/950557393.db2.gz URROBHMBYYOOQI-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576207847 950599476 /nfs/dbraw/zinc/59/94/76/950599476.db2.gz KHRPRCOPCIZBNM-MELADBBJSA-N 2 1 389.529 1.254 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576207802 950600060 /nfs/dbraw/zinc/60/00/60/950600060.db2.gz JLRQTVFDKMCIIT-OAHLLOKOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576207802 950600077 /nfs/dbraw/zinc/60/00/77/950600077.db2.gz JLRQTVFDKMCIIT-OAHLLOKOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576207802 950600095 /nfs/dbraw/zinc/60/00/95/950600095.db2.gz JLRQTVFDKMCIIT-OAHLLOKOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576208686 950618403 /nfs/dbraw/zinc/61/84/03/950618403.db2.gz SMZDRJREJBBSJL-YQQAZPJKSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576215482 950704814 /nfs/dbraw/zinc/70/48/14/950704814.db2.gz VPJYSTYFTHPCJB-VBNZEHGJSA-N 2 1 387.463 1.084 20 0 GDADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001574771619 950933347 /nfs/dbraw/zinc/93/33/47/950933347.db2.gz HPLGKDNUWSGTIN-SUMWQHHRSA-N 2 1 391.495 1.529 20 0 GDADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001574771619 950933362 /nfs/dbraw/zinc/93/33/62/950933362.db2.gz HPLGKDNUWSGTIN-SUMWQHHRSA-N 2 1 391.495 1.529 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575079916 951699293 /nfs/dbraw/zinc/69/92/93/951699293.db2.gz SUZMMAJEXCWQMF-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089570 951751212 /nfs/dbraw/zinc/75/12/12/951751212.db2.gz GTPAGFFUEIZGLZ-KBPBESRZSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089830 951755511 /nfs/dbraw/zinc/75/55/11/951755511.db2.gz IQZJBKJUYUNMPQ-YJBOKZPZSA-N 2 1 385.516 1.583 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575090325 951759916 /nfs/dbraw/zinc/75/99/16/951759916.db2.gz KMVSNJFAIUVGBH-WBMJQRKESA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099804 951840159 /nfs/dbraw/zinc/84/01/59/951840159.db2.gz OVHCXRVFEJEOQK-KGLIPLIRSA-N 2 1 391.545 1.645 20 0 GDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104830 951888587 /nfs/dbraw/zinc/88/85/87/951888587.db2.gz DZMXVXIOUXOYRG-YJBOKZPZSA-N 2 1 385.516 1.581 20 0 GDADMP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001571234929 953206994 /nfs/dbraw/zinc/20/69/94/953206994.db2.gz NFECQMBFFWUFQR-GOSISDBHSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001571235256 953210225 /nfs/dbraw/zinc/21/02/25/953210225.db2.gz YKFYFDZKTAWNOO-ZTQAJYAQSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[NH+]1C ZINC001571235256 953210228 /nfs/dbraw/zinc/21/02/28/953210228.db2.gz YKFYFDZKTAWNOO-ZTQAJYAQSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[NH+]1C ZINC001571235256 953210230 /nfs/dbraw/zinc/21/02/30/953210230.db2.gz YKFYFDZKTAWNOO-ZTQAJYAQSA-N 2 1 383.500 1.288 20 0 GDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)CC2)CC1 ZINC000910178865 981775305 /nfs/dbraw/zinc/77/53/05/981775305.db2.gz FYQRRKDCVSGCGF-UHFFFAOYSA-N 2 1 394.560 1.190 20 0 GDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N3CCOCC3)s1)C2 ZINC000922388344 1126134827 /nfs/dbraw/zinc/13/48/27/1126134827.db2.gz PFYAWTYBYSFWMS-MTNOOBJLSA-N 2 1 380.558 1.549 20 0 GDADMP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000261680690 531095767 /nfs/dbraw/zinc/09/57/67/531095767.db2.gz GXSCQGUPAHTLGT-QGZVFWFLSA-N 2 1 386.327 1.708 20 0 GDADMP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000261680690 531095769 /nfs/dbraw/zinc/09/57/69/531095769.db2.gz GXSCQGUPAHTLGT-QGZVFWFLSA-N 2 1 386.327 1.708 20 0 GDADMP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1Br ZINC000261711737 531096749 /nfs/dbraw/zinc/09/67/49/531096749.db2.gz PSCZFJFSHYPPPW-ZDUSSCGKSA-N 2 1 397.317 1.483 20 0 GDADMP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1Br ZINC000261711737 531096751 /nfs/dbraw/zinc/09/67/51/531096751.db2.gz PSCZFJFSHYPPPW-ZDUSSCGKSA-N 2 1 397.317 1.483 20 0 GDADMP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1cccc(Cl)c1 ZINC000261999842 531104969 /nfs/dbraw/zinc/10/49/69/531104969.db2.gz UKOAZIZADWOEDC-BBWFWOEESA-N 2 1 387.933 1.365 20 0 GDADMP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000261869010 531101648 /nfs/dbraw/zinc/10/16/48/531101648.db2.gz CYKKBORBKZVQLD-BBWFWOEESA-N 2 1 396.329 1.926 20 0 GDADMP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000261915657 531102172 /nfs/dbraw/zinc/10/21/72/531102172.db2.gz JOHZORLLXUCSHW-BBWFWOEESA-N 2 1 396.329 1.926 20 0 GDADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1ccccc1Br ZINC000262244562 531113950 /nfs/dbraw/zinc/11/39/50/531113950.db2.gz WKHQGJRQCOKPAI-UHFFFAOYSA-N 2 1 383.290 1.141 20 0 GDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1ccccc1Br ZINC000262244562 531113952 /nfs/dbraw/zinc/11/39/52/531113952.db2.gz WKHQGJRQCOKPAI-UHFFFAOYSA-N 2 1 383.290 1.141 20 0 GDADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415428551 531484953 /nfs/dbraw/zinc/48/49/53/531484953.db2.gz ACYSXVAGGHGVMC-AWEZNQCLSA-N 2 1 385.306 1.549 20 0 GDADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC[C@H]1[NH3+] ZINC000415440949 531486310 /nfs/dbraw/zinc/48/63/10/531486310.db2.gz MVRMYXQHUIKSMV-XHDPSFHLSA-N 2 1 397.317 1.645 20 0 GDADMP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415518980 531491697 /nfs/dbraw/zinc/49/16/97/531491697.db2.gz JEIZXTWQKFPAJJ-UHFFFAOYSA-N 2 1 385.306 1.565 20 0 GDADMP C[C@@H](CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[NH+](C)C ZINC000658429157 531510896 /nfs/dbraw/zinc/51/08/96/531510896.db2.gz VWQDGMKIQVRIFN-LBPRGKRZSA-N 2 1 399.333 1.906 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1Br ZINC000582288826 531546838 /nfs/dbraw/zinc/54/68/38/531546838.db2.gz BTMKWYBVWGYVMB-GFCCVEGCSA-N 2 1 397.317 1.647 20 0 GDADMP C[NH2+][C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662405210 531675593 /nfs/dbraw/zinc/67/55/93/531675593.db2.gz MALCCMHIDOXTFS-ABAIWWIYSA-N 2 1 387.311 1.567 20 0 GDADMP [NH3+][C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1Br ZINC000662569751 531689574 /nfs/dbraw/zinc/68/95/74/531689574.db2.gz UYSOGRPNUJORGY-PMPSAXMXSA-N 2 1 382.302 1.804 20 0 GDADMP [NH3+][C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000662710801 531693114 /nfs/dbraw/zinc/69/31/14/531693114.db2.gz ZFGPHPKAYQXWSE-CZUORRHYSA-N 2 1 382.302 1.818 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1Br ZINC000667265874 531773007 /nfs/dbraw/zinc/77/30/07/531773007.db2.gz DXHXTIPUTITMIK-CQSZACIVSA-N 2 1 397.317 1.708 20 0 GDADMP [NH3+]CCN(CCO)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417880588 531787355 /nfs/dbraw/zinc/78/73/55/531787355.db2.gz DEUHQXNHBSGKQM-UHFFFAOYSA-N 2 1 399.333 1.376 20 0 GDADMP [NH3+]CCN(CCO)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000417988234 531795411 /nfs/dbraw/zinc/79/54/11/531795411.db2.gz IJRIBEZBNXUFHF-UHFFFAOYSA-N 2 1 389.327 1.920 20 0 GDADMP C[N@H+](CCOCC[NH3+])CC(=O)Nc1cccc(I)c1 ZINC000600733229 532053762 /nfs/dbraw/zinc/05/37/62/532053762.db2.gz HZGFTBVUCREFDS-UHFFFAOYSA-N 2 1 377.226 1.137 20 0 GDADMP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1cccc(I)c1 ZINC000600733229 532053766 /nfs/dbraw/zinc/05/37/66/532053766.db2.gz HZGFTBVUCREFDS-UHFFFAOYSA-N 2 1 377.226 1.137 20 0 GDADMP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CCOCC[NH3+] ZINC000600735355 532053390 /nfs/dbraw/zinc/05/33/90/532053390.db2.gz MGKMZNHWEMTZMD-LLVKDONJSA-N 2 1 391.253 1.525 20 0 GDADMP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000600735355 532053395 /nfs/dbraw/zinc/05/33/95/532053395.db2.gz MGKMZNHWEMTZMD-LLVKDONJSA-N 2 1 391.253 1.525 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000737526193 598852107 /nfs/dbraw/zinc/85/21/07/598852107.db2.gz XXHKITKSQGQCSV-UHFFFAOYSA-N 2 1 381.488 1.665 20 0 GDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736759852 598898707 /nfs/dbraw/zinc/89/87/07/598898707.db2.gz XRYZFLNBWHBSEP-GFCCVEGCSA-N 2 1 377.880 1.732 20 0 GDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736857282 598620109 /nfs/dbraw/zinc/62/01/09/598620109.db2.gz PUZNJDFADXOGKR-UHFFFAOYSA-N 2 1 383.500 1.243 20 0 GDADMP CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000563952559 650744644 /nfs/dbraw/zinc/74/46/44/650744644.db2.gz LDVMHIMAKMGDPZ-INIZCTEOSA-N 2 1 398.345 1.842 20 0 GDADMP CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000563952559 650744650 /nfs/dbraw/zinc/74/46/50/650744650.db2.gz LDVMHIMAKMGDPZ-INIZCTEOSA-N 2 1 398.345 1.842 20 0 GDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716651 650809900 /nfs/dbraw/zinc/80/99/00/650809900.db2.gz KIMFZIBXJJUBBC-UKRRQHHQSA-N 2 1 389.309 1.784 20 0 GDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716651 650809903 /nfs/dbraw/zinc/80/99/03/650809903.db2.gz KIMFZIBXJJUBBC-UKRRQHHQSA-N 2 1 389.309 1.784 20 0 GDADMP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1cccc(Br)c1 ZINC000420349410 645940979 /nfs/dbraw/zinc/94/09/79/645940979.db2.gz OSXGQNXXIXLNLJ-INIZCTEOSA-N 2 1 381.318 1.757 20 0 GDADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423352788 646123142 /nfs/dbraw/zinc/12/31/42/646123142.db2.gz BTNFCJFCXHWNIW-ZYHUDNBSSA-N 2 1 376.320 1.889 20 0 GDADMP C[C@H](NCC(F)(F)C[NH3+])c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423342936 646123163 /nfs/dbraw/zinc/12/31/63/646123163.db2.gz ZNUGVYNUIFXQBL-ZDUSSCGKSA-N 2 1 378.489 1.161 20 0 GDADMP CN(C)Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cc1Br ZINC000467244442 647639481 /nfs/dbraw/zinc/63/94/81/647639481.db2.gz WOLBVAULYTUTSO-CQSZACIVSA-N 2 1 397.317 1.660 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cc1Br ZINC000467244442 647639485 /nfs/dbraw/zinc/63/94/85/647639485.db2.gz WOLBVAULYTUTSO-CQSZACIVSA-N 2 1 397.317 1.660 20 0 GDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000484984259 647921648 /nfs/dbraw/zinc/92/16/48/647921648.db2.gz BVZFFOARLNMKSL-KGLIPLIRSA-N 2 1 384.318 1.955 20 0 GDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000484984259 647921652 /nfs/dbraw/zinc/92/16/52/647921652.db2.gz BVZFFOARLNMKSL-KGLIPLIRSA-N 2 1 384.318 1.955 20 0 GDADMP CCN(C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000522548814 648678109 /nfs/dbraw/zinc/67/81/09/648678109.db2.gz MQICYFRREXAXDX-HRCADAONSA-N 2 1 375.579 1.367 20 0 GDADMP O[C@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000573206744 651471468 /nfs/dbraw/zinc/47/14/68/651471468.db2.gz MCLFDZPWUCRVSS-CVEARBPZSA-N 2 1 387.318 1.625 20 0 GDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000573516552 651482203 /nfs/dbraw/zinc/48/22/03/651482203.db2.gz JRKWHXCZCLKGSE-SNVBAGLBSA-N 2 1 387.303 1.723 20 0 GDADMP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000578776102 651813552 /nfs/dbraw/zinc/81/35/52/651813552.db2.gz VRWUNUPPKFXQBU-ZDUSSCGKSA-N 2 1 386.327 1.708 20 0 GDADMP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000578776102 651813553 /nfs/dbraw/zinc/81/35/53/651813553.db2.gz VRWUNUPPKFXQBU-ZDUSSCGKSA-N 2 1 386.327 1.708 20 0 GDADMP C[N@H+](CCNC(=O)c1sc2c(c1I)C[NH2+]C2)C1CC1 ZINC000595942188 652428501 /nfs/dbraw/zinc/42/85/01/652428501.db2.gz BJHXTCWTEMFBOO-UHFFFAOYSA-N 2 1 391.278 1.780 20 0 GDADMP C[N@@H+](CCNC(=O)c1sc2c(c1I)C[NH2+]C2)C1CC1 ZINC000595942188 652428503 /nfs/dbraw/zinc/42/85/03/652428503.db2.gz BJHXTCWTEMFBOO-UHFFFAOYSA-N 2 1 391.278 1.780 20 0 GDADMP CC1(C)CN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC[NH2+]1 ZINC000595952222 652429456 /nfs/dbraw/zinc/42/94/56/652429456.db2.gz NOVXNLGEUOINBK-UHFFFAOYSA-N 2 1 391.278 1.780 20 0 GDADMP CN(C(=O)c1sc2c(c1I)C[NH2+]C2)C1CC([NH3+])C1 ZINC000595952322 652429480 /nfs/dbraw/zinc/42/94/80/652429480.db2.gz OVTGRDYVDFMTCC-UHFFFAOYSA-N 2 1 377.251 1.518 20 0 GDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000602596056 652642682 /nfs/dbraw/zinc/64/26/82/652642682.db2.gz MRDZWXQNNVQWQV-RQJHMYQMSA-N 2 1 377.251 1.518 20 0 GDADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000647492850 653627616 /nfs/dbraw/zinc/62/76/16/653627616.db2.gz DITRGODTZGFVIV-UHFFFAOYSA-N 2 1 378.318 1.972 20 0 GDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000647492850 653627619 /nfs/dbraw/zinc/62/76/19/653627619.db2.gz DITRGODTZGFVIV-UHFFFAOYSA-N 2 1 378.318 1.972 20 0 GDADMP C[NH+]1CCN([C@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)c2cccs2)CC1 ZINC000675724678 654623593 /nfs/dbraw/zinc/62/35/93/654623593.db2.gz YKIYUICKKLBEGE-MRXNPFEDSA-N 2 1 386.587 1.050 20 0 GDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)c1cccc(Br)c1 ZINC000848992802 655517050 /nfs/dbraw/zinc/51/70/50/655517050.db2.gz VWBPLDIYTCZCPN-OAHLLOKOSA-N 2 1 385.306 1.319 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)nc1F ZINC000866688628 655954688 /nfs/dbraw/zinc/95/46/88/655954688.db2.gz UQNQECZIRAHAHL-ZDUSSCGKSA-N 2 1 376.473 1.396 20 0 GDADMP O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923308574 656543887 /nfs/dbraw/zinc/54/38/87/656543887.db2.gz FHKUSMSFKMSUSM-MRXNPFEDSA-N 2 1 394.313 1.585 20 0 GDADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)nn1 ZINC000923410550 656550797 /nfs/dbraw/zinc/55/07/97/656550797.db2.gz HSGUCVMQXKCUAQ-UONOGXRCSA-N 2 1 386.283 1.730 20 0 GDADMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(I)cnn2C)CC1 ZINC000894175544 658516382 /nfs/dbraw/zinc/51/63/82/658516382.db2.gz IUHQSRACRPAHLO-LBPRGKRZSA-N 2 1 391.301 1.140 20 0 GDADMP Cn1ncc(I)c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000894660354 658595080 /nfs/dbraw/zinc/59/50/80/658595080.db2.gz MRMMGUQDMZQEPE-UHFFFAOYSA-N 2 1 391.301 1.140 20 0 GDADMP Cn1ncc(I)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000894660354 658595092 /nfs/dbraw/zinc/59/50/92/658595092.db2.gz MRMMGUQDMZQEPE-UHFFFAOYSA-N 2 1 391.301 1.140 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(O)c(OC)cc1Br)C2 ZINC000903978964 659392233 /nfs/dbraw/zinc/39/22/33/659392233.db2.gz PTXXPVFXEWUIHS-JKDFXYPNSA-N 2 1 399.285 1.876 20 0 GDADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)c2c1C ZINC001164401816 718853181 /nfs/dbraw/zinc/85/31/81/718853181.db2.gz CZPTURFQCRLACY-YWZLYKJASA-N 2 1 387.553 1.922 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2ncc(S(N)(=O)=O)cc2Cl)c2c1CC[NH2+]C2 ZINC001164683588 719616782 /nfs/dbraw/zinc/61/67/82/719616782.db2.gz JXOSKQSQPHTFJW-UHFFFAOYSA-N 2 1 398.920 1.054 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(S(N)(=O)=O)cc2Cl)c2c1CC[NH2+]C2 ZINC001164683588 719616791 /nfs/dbraw/zinc/61/67/91/719616791.db2.gz JXOSKQSQPHTFJW-UHFFFAOYSA-N 2 1 398.920 1.054 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164729522 720567955 /nfs/dbraw/zinc/56/79/55/720567955.db2.gz QAVFYGGWTOFVMV-UHFFFAOYSA-N 2 1 395.511 1.933 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)cc(C)[nH+]3)CC[C@@H]2C1 ZINC001164847943 720831253 /nfs/dbraw/zinc/83/12/53/720831253.db2.gz LDNOBSSFMIGEAA-MSOLQXFVSA-N 2 1 375.517 1.559 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)CC[C@H]2C1 ZINC001164854096 720864193 /nfs/dbraw/zinc/86/41/93/720864193.db2.gz JDDWOHVFCZUMNK-RBUKOAKNSA-N 2 1 389.544 1.007 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC[C@H]2C1 ZINC001164859513 720869758 /nfs/dbraw/zinc/86/97/58/720869758.db2.gz UFHYMNQISBRRLE-HKUYNNGSSA-N 3 1 389.544 1.183 20 0 GDADMP COCC[N@@H+]1CCO[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)CC[C@H]2C1 ZINC001164859513 720869760 /nfs/dbraw/zinc/86/97/60/720869760.db2.gz UFHYMNQISBRRLE-HKUYNNGSSA-N 2 1 389.544 1.183 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)CC[C@H]2C1 ZINC001164859513 720869761 /nfs/dbraw/zinc/86/97/61/720869761.db2.gz UFHYMNQISBRRLE-HKUYNNGSSA-N 2 1 389.544 1.183 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)C[C@H]3C2)cn1 ZINC001164762033 721176952 /nfs/dbraw/zinc/17/69/52/721176952.db2.gz BYPOZQGYKLOPGM-RTBURBONSA-N 2 1 381.528 1.183 20 0 GDADMP CC(C)Oc1cc[nH+]c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001164874541 721275385 /nfs/dbraw/zinc/27/53/85/721275385.db2.gz UKHJIFFMNICKEJ-UHFFFAOYSA-N 2 1 390.528 1.876 20 0 GDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C[NH3+])ncn3)C2)C1 ZINC001164776123 721343858 /nfs/dbraw/zinc/34/38/58/721343858.db2.gz AGVNEQTWBYDWHS-FQEVSTJZSA-N 2 1 386.500 1.659 20 0 GDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C[NH3+])ncn3)C2)C1 ZINC001164776123 721343861 /nfs/dbraw/zinc/34/38/61/721343861.db2.gz AGVNEQTWBYDWHS-FQEVSTJZSA-N 2 1 386.500 1.659 20 0 GDADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N)[nH+]cn1)CC2 ZINC001164790675 721465234 /nfs/dbraw/zinc/46/52/34/721465234.db2.gz UKJXEHQICUYMLM-QGZVFWFLSA-N 2 1 375.517 1.793 20 0 GDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N)[nH+]cn1)CC2 ZINC001164790675 721465236 /nfs/dbraw/zinc/46/52/36/721465236.db2.gz UKJXEHQICUYMLM-QGZVFWFLSA-N 2 1 375.517 1.793 20 0 GDADMP Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1C1C[NH2+]C1 ZINC001164801172 721591972 /nfs/dbraw/zinc/59/19/72/721591972.db2.gz DVANARDHSFSBSB-IRFCIJBXSA-N 2 1 394.523 1.735 20 0 GDADMP Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1C1C[NH2+]C1 ZINC001164801172 721591974 /nfs/dbraw/zinc/59/19/74/721591974.db2.gz DVANARDHSFSBSB-IRFCIJBXSA-N 2 1 394.523 1.735 20 0 GDADMP C[NH+](C)CCOCc1ncn2c1CN(c1nc(N3CCCC3)cc[nH+]1)CCC2 ZINC001165001678 722250169 /nfs/dbraw/zinc/25/01/69/722250169.db2.gz SDHHIKAHWOROBE-UHFFFAOYSA-N 2 1 385.516 1.762 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571281794 945813685 /nfs/dbraw/zinc/81/36/85/945813685.db2.gz AFVMGOCETSLCIF-DAXOMENPSA-N 2 1 387.463 1.084 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282049 945825814 /nfs/dbraw/zinc/82/58/14/945825814.db2.gz CNFJETIUZWEWBY-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282908 945865187 /nfs/dbraw/zinc/86/51/87/945865187.db2.gz VJXNCBVEGOQSOY-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282908 945865196 /nfs/dbraw/zinc/86/51/96/945865196.db2.gz VJXNCBVEGOQSOY-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282908 945865212 /nfs/dbraw/zinc/86/52/12/945865212.db2.gz VJXNCBVEGOQSOY-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282908 945865233 /nfs/dbraw/zinc/86/52/33/945865233.db2.gz VJXNCBVEGOQSOY-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575872384 949549844 /nfs/dbraw/zinc/54/98/44/949549844.db2.gz IRQBWJAYAYEXTH-ZFWWWQNUSA-N 2 1 384.488 1.077 20 0 GDADMP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575877215 949659415 /nfs/dbraw/zinc/65/94/15/949659415.db2.gz LBARLXZONMRCDM-YJBOKZPZSA-N 2 1 383.500 1.432 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574153066 950126072 /nfs/dbraw/zinc/12/60/72/950126072.db2.gz MESNYXIHMSOQBH-SJLPKXTDSA-N 2 1 385.516 1.581 20 0 GDADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192239 950233991 /nfs/dbraw/zinc/23/39/91/950233991.db2.gz LCDALJBCOFKICP-NVXWUHKLSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192239 950234010 /nfs/dbraw/zinc/23/40/10/950234010.db2.gz LCDALJBCOFKICP-NVXWUHKLSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192239 950234035 /nfs/dbraw/zinc/23/40/35/950234035.db2.gz LCDALJBCOFKICP-NVXWUHKLSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192239 950234055 /nfs/dbraw/zinc/23/40/55/950234055.db2.gz LCDALJBCOFKICP-NVXWUHKLSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576196405 950361613 /nfs/dbraw/zinc/36/16/13/950361613.db2.gz COSZKZSLLBCXPH-ZDUSSCGKSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576197895 950395167 /nfs/dbraw/zinc/39/51/67/950395167.db2.gz PHSYFVPCAQNRJA-DZGCQCFKSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576202900 950440357 /nfs/dbraw/zinc/44/03/57/950440357.db2.gz FDLDIRHWUOOUFX-WFASDCNBSA-N 2 1 389.529 1.254 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576204978 950488841 /nfs/dbraw/zinc/48/88/41/950488841.db2.gz FCGOSMHJIOBUTB-KDOFPFPSSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205256 950507394 /nfs/dbraw/zinc/50/73/94/950507394.db2.gz HZBKNBKUEUMZIG-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205256 950507409 /nfs/dbraw/zinc/50/74/09/950507409.db2.gz HZBKNBKUEUMZIG-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205256 950507423 /nfs/dbraw/zinc/50/74/23/950507423.db2.gz HZBKNBKUEUMZIG-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205256 950507437 /nfs/dbraw/zinc/50/74/37/950507437.db2.gz HZBKNBKUEUMZIG-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205857 950542984 /nfs/dbraw/zinc/54/29/84/950542984.db2.gz QMWKTTNKMMHTHB-YWVDXFKGSA-N 2 1 375.502 1.032 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576206320 950573854 /nfs/dbraw/zinc/57/38/54/950573854.db2.gz WMBNKWZKSGUIIZ-RDJZCZTQSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576206320 950573896 /nfs/dbraw/zinc/57/38/96/950573896.db2.gz WMBNKWZKSGUIIZ-RDJZCZTQSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576206320 950573928 /nfs/dbraw/zinc/57/39/28/950573928.db2.gz WMBNKWZKSGUIIZ-RDJZCZTQSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576208465 950609773 /nfs/dbraw/zinc/60/97/73/950609773.db2.gz QQYNXUWLSYAIAP-QILLFSRXSA-N 2 1 383.500 1.193 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574524669 950867780 /nfs/dbraw/zinc/86/77/80/950867780.db2.gz YHZDFSWPEIHFSS-KGLIPLIRSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001574774512 951002327 /nfs/dbraw/zinc/00/23/27/951002327.db2.gz CTXZJYLZPGQOKM-INIZCTEOSA-N 2 1 385.516 1.679 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575078926 951685568 /nfs/dbraw/zinc/68/55/68/951685568.db2.gz NVGHDQGJSDNNAJ-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575079847 951698130 /nfs/dbraw/zinc/69/81/30/951698130.db2.gz HIFDAKSMMMZTCA-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575080451 951709850 /nfs/dbraw/zinc/70/98/50/951709850.db2.gz MDOALCJOLSLAHR-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082388 951734833 /nfs/dbraw/zinc/73/48/33/951734833.db2.gz YAZZSKORZPTKOQ-XJKCOSOUSA-N 2 1 389.479 1.188 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575089453 951749791 /nfs/dbraw/zinc/74/97/91/951749791.db2.gz FSQYZMNQMBTRAB-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089575 951751757 /nfs/dbraw/zinc/75/17/57/951751757.db2.gz GTPAGFFUEIZGLZ-ZIAGYGMSSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575089701 951753665 /nfs/dbraw/zinc/75/36/65/951753665.db2.gz HUBGTPVNTWPKDQ-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575095123 951809690 /nfs/dbraw/zinc/80/96/90/951809690.db2.gz RWWFQZWQKFWIJW-MPGHIAIKSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098404 951822620 /nfs/dbraw/zinc/82/26/20/951822620.db2.gz CKYHHMWMYRAZBQ-JSGCOSHPSA-N 2 1 377.518 1.254 20 0 GDADMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099806 951839649 /nfs/dbraw/zinc/83/96/49/951839649.db2.gz OVHCXRVFEJEOQK-UONOGXRCSA-N 2 1 391.545 1.645 20 0 GDADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101277 951856038 /nfs/dbraw/zinc/85/60/38/951856038.db2.gz BKDMGLMNDUTBQS-DZGCQCFKSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575101924 951863935 /nfs/dbraw/zinc/86/39/35/951863935.db2.gz KAACFCRTXKULGC-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP Cc1[nH+]ccn1CC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172214 952803758 /nfs/dbraw/zinc/80/37/58/952803758.db2.gz PHYKBEGZUFSHIH-UHFFFAOYSA-N 2 1 380.456 1.056 20 0 GDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001571233775 953196322 /nfs/dbraw/zinc/19/63/22/953196322.db2.gz CWSJVXSOTMYVTB-OKZBNKHCSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234071 953198142 /nfs/dbraw/zinc/19/81/42/953198142.db2.gz MLWONXJPLXNOEO-DAYGRLMNSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234071 953198144 /nfs/dbraw/zinc/19/81/44/953198144.db2.gz MLWONXJPLXNOEO-DAYGRLMNSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234071 953198146 /nfs/dbraw/zinc/19/81/46/953198146.db2.gz MLWONXJPLXNOEO-DAYGRLMNSA-N 2 1 383.500 1.288 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571234687 953204543 /nfs/dbraw/zinc/20/45/43/953204543.db2.gz FUXXLGLTCRCNGV-JKSUJKDBSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001571235255 953210771 /nfs/dbraw/zinc/21/07/71/953210771.db2.gz YKFYFDZKTAWNOO-WIBUTAKZSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[NH+]1C ZINC001571235255 953210773 /nfs/dbraw/zinc/21/07/73/953210773.db2.gz YKFYFDZKTAWNOO-WIBUTAKZSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[NH+]1C ZINC001571235255 953210775 /nfs/dbraw/zinc/21/07/75/953210775.db2.gz YKFYFDZKTAWNOO-WIBUTAKZSA-N 2 1 383.500 1.288 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001571251795 953319926 /nfs/dbraw/zinc/31/99/26/953319926.db2.gz ABJJGWDYCXNIQT-HUUCEWRRSA-N 2 1 384.488 1.031 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001571251795 953319929 /nfs/dbraw/zinc/31/99/29/953319929.db2.gz ABJJGWDYCXNIQT-HUUCEWRRSA-N 2 1 384.488 1.031 20 0 GDADMP C[C@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000261674537 531096086 /nfs/dbraw/zinc/09/60/86/531096086.db2.gz MCDSDSBIPWOZOE-YOEHRIQHSA-N 2 1 395.345 1.606 20 0 GDADMP C[C@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000261674537 531096088 /nfs/dbraw/zinc/09/60/88/531096088.db2.gz MCDSDSBIPWOZOE-YOEHRIQHSA-N 2 1 395.345 1.606 20 0 GDADMP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1cccc(Cl)c1 ZINC000261999849 531104963 /nfs/dbraw/zinc/10/49/63/531104963.db2.gz UKOAZIZADWOEDC-ZACQAIPSSA-N 2 1 387.933 1.365 20 0 GDADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261727020 531097287 /nfs/dbraw/zinc/09/72/87/531097287.db2.gz RFVNDMCSASRWFA-ZDUSSCGKSA-N 2 1 397.317 1.483 20 0 GDADMP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261727020 531097290 /nfs/dbraw/zinc/09/72/90/531097290.db2.gz RFVNDMCSASRWFA-ZDUSSCGKSA-N 2 1 397.317 1.483 20 0 GDADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](CO)c1cccc(Br)c1 ZINC000414715623 531462746 /nfs/dbraw/zinc/46/27/46/531462746.db2.gz YWIGRZHXXIWIIM-XJKSGUPXSA-N 2 1 384.318 1.612 20 0 GDADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](CO)c1cccc(Br)c1 ZINC000414715618 531463258 /nfs/dbraw/zinc/46/32/58/531463258.db2.gz YWIGRZHXXIWIIM-CJNGLKHVSA-N 2 1 384.318 1.612 20 0 GDADMP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415665892 531510616 /nfs/dbraw/zinc/51/06/16/531510616.db2.gz VIQLCQCTRODSJA-LLVKDONJSA-N 2 1 385.306 1.563 20 0 GDADMP C[NH2+][C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662405213 531676615 /nfs/dbraw/zinc/67/66/15/531676615.db2.gz MALCCMHIDOXTFS-XHDPSFHLSA-N 2 1 387.311 1.567 20 0 GDADMP COCCN(CC[NH+](C)C)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662789617 531696254 /nfs/dbraw/zinc/69/62/54/531696254.db2.gz ARHLWKJCNMYNIF-UHFFFAOYSA-N 2 1 376.320 1.764 20 0 GDADMP O[C@H](COc1ccc(Cl)cc1Br)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000619725522 531717231 /nfs/dbraw/zinc/71/72/31/531717231.db2.gz VVEZRQGLECTVQF-GVXVVHGQSA-N 2 1 375.694 1.993 20 0 GDADMP O=S(=O)(CCC(F)(F)F)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000283777244 531893643 /nfs/dbraw/zinc/89/36/43/531893643.db2.gz BZTCVHYIZCYQSC-UHFFFAOYSA-N 2 1 380.436 1.466 20 0 GDADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595963518 531899400 /nfs/dbraw/zinc/89/94/00/531899400.db2.gz MCLGDZJRERCUHT-RNFRBKRXSA-N 2 1 379.267 1.812 20 0 GDADMP C[NH+]1CCC(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)CC1 ZINC000580402376 532073661 /nfs/dbraw/zinc/07/36/61/532073661.db2.gz SRFDFVFJOQCONT-UHFFFAOYSA-N 2 1 396.333 1.876 20 0 GDADMP Ic1cnc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000285536745 532092501 /nfs/dbraw/zinc/09/25/01/532092501.db2.gz SVJZMNFZXDWMJC-UHFFFAOYSA-N 2 1 381.283 1.950 20 0 GDADMP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430624210 532252797 /nfs/dbraw/zinc/25/27/97/532252797.db2.gz ISVNFWWVPURTOS-OLZOCXBDSA-N 2 1 397.317 1.563 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000430601936 532253037 /nfs/dbraw/zinc/25/30/37/532253037.db2.gz FJGRUADTPVIMMD-ZDUSSCGKSA-N 2 1 397.317 1.565 20 0 GDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000735875632 598915060 /nfs/dbraw/zinc/91/50/60/598915060.db2.gz PUNOGMABAZKGDK-UHFFFAOYSA-N 2 1 397.527 1.820 20 0 GDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000735875632 598915062 /nfs/dbraw/zinc/91/50/62/598915062.db2.gz PUNOGMABAZKGDK-UHFFFAOYSA-N 2 1 397.527 1.820 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000825848286 607524567 /nfs/dbraw/zinc/52/45/67/607524567.db2.gz BQCYWPLHBDIQFH-QRQLOZEOSA-N 2 1 386.500 1.819 20 0 GDADMP CC(C)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC000735692811 606760814 /nfs/dbraw/zinc/76/08/14/606760814.db2.gz UQGLVERKGOXOLQ-SFHVURJKSA-N 2 1 385.516 1.487 20 0 GDADMP Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nc(C)[nH+]1 ZINC000822207453 606859429 /nfs/dbraw/zinc/85/94/29/606859429.db2.gz XEYMRVGYVRROKX-QZTJIDSGSA-N 2 1 394.483 1.566 20 0 GDADMP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361355 609337959 /nfs/dbraw/zinc/33/79/59/609337959.db2.gz UJWWQQDYQYJAPW-CQSZACIVSA-N 2 1 378.484 1.841 20 0 GDADMP O=C1[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477195 609415348 /nfs/dbraw/zinc/41/53/48/609415348.db2.gz XRPFQRWDWCZGCA-HOCLYGCPSA-N 2 1 378.440 1.163 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1Br ZINC000564939522 650773555 /nfs/dbraw/zinc/77/35/55/650773555.db2.gz FKOWMJWSRUEWJY-HNNXBMFYSA-N 2 1 397.317 1.708 20 0 GDADMP O[C@H](CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1ccc(Br)cc1 ZINC000320755591 645254017 /nfs/dbraw/zinc/25/40/17/645254017.db2.gz IVKZSDHFWFHIAE-BFYDXBDKSA-N 2 1 385.302 1.642 20 0 GDADMP O[C@H](CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)COc1ccc(Br)cc1 ZINC000320755591 645254024 /nfs/dbraw/zinc/25/40/24/645254024.db2.gz IVKZSDHFWFHIAE-BFYDXBDKSA-N 2 1 385.302 1.642 20 0 GDADMP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1CC[NH3+] ZINC000903495949 659318339 /nfs/dbraw/zinc/31/83/39/659318339.db2.gz CXRBLEHZNREIMR-CHWSQXEVSA-N 2 1 397.317 1.421 20 0 GDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[NH+](C)C ZINC000453955205 647349579 /nfs/dbraw/zinc/34/95/79/647349579.db2.gz FUJJBIISRXPLQX-NSHDSACASA-N 2 1 385.306 1.516 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1Br ZINC000466829685 647620403 /nfs/dbraw/zinc/62/04/03/647620403.db2.gz XMXQXFRGFRDFIU-UHFFFAOYSA-N 2 1 397.317 1.660 20 0 GDADMP COc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(Br)c1O ZINC000470008572 647719672 /nfs/dbraw/zinc/71/96/72/647719672.db2.gz JAAMPRZKQVYTMD-LBPRGKRZSA-N 2 1 386.290 1.450 20 0 GDADMP COc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(Br)c1O ZINC000470008572 647719675 /nfs/dbraw/zinc/71/96/75/647719675.db2.gz JAAMPRZKQVYTMD-LBPRGKRZSA-N 2 1 386.290 1.450 20 0 GDADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1ccc(Br)cc1 ZINC000572363829 651095119 /nfs/dbraw/zinc/09/51/19/651095119.db2.gz JDAKHABYCITLLG-MRXNPFEDSA-N 2 1 387.318 1.625 20 0 GDADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000580999007 651953476 /nfs/dbraw/zinc/95/34/76/651953476.db2.gz BSEIEZXYWDFYQD-GFCCVEGCSA-N 2 1 376.320 1.528 20 0 GDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000580999007 651953480 /nfs/dbraw/zinc/95/34/80/651953480.db2.gz BSEIEZXYWDFYQD-GFCCVEGCSA-N 2 1 376.320 1.528 20 0 GDADMP [NH3+]CCCOCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000629535981 653169980 /nfs/dbraw/zinc/16/99/80/653169980.db2.gz DUSLFJFMEUVTSS-ZDUSSCGKSA-N 2 1 377.304 1.623 20 0 GDADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000629559848 653171924 /nfs/dbraw/zinc/17/19/24/653171924.db2.gz NZCKXUYTHHRHBN-OAHLLOKOSA-N 2 1 389.587 1.367 20 0 GDADMP C[NH+](C)CC[C@@H](N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000653124080 653906914 /nfs/dbraw/zinc/90/69/14/653906914.db2.gz QFNDERCKERHJIH-QGZVFWFLSA-N 2 1 397.361 1.809 20 0 GDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817943158 655362749 /nfs/dbraw/zinc/36/27/49/655362749.db2.gz JOPFPJFHEBCZBL-ZDUSSCGKSA-N 2 1 377.532 1.062 20 0 GDADMP O=S(=O)(C(F)F)N1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000848535442 655496474 /nfs/dbraw/zinc/49/64/74/655496474.db2.gz ZJQATOJEJXYHFY-OAHLLOKOSA-N 2 1 381.489 1.094 20 0 GDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)COc1ccccc1Br ZINC000849096172 655517259 /nfs/dbraw/zinc/51/72/59/655517259.db2.gz GQPSILICXQYIPL-UONOGXRCSA-N 2 1 399.333 1.787 20 0 GDADMP CN1CC[NH+](CC2(C)CC[NH+](CCn3cnc(Br)n3)CC2)CC1 ZINC000851934518 655604058 /nfs/dbraw/zinc/60/40/58/655604058.db2.gz LDPNGVGBMPUWKQ-UHFFFAOYSA-N 2 1 385.354 1.390 20 0 GDADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1sc2c(c1Br)C[NH2+]C2 ZINC000852798443 655622919 /nfs/dbraw/zinc/62/29/19/655622919.db2.gz KGEXGUJHZYUPBH-VHSXEESVSA-N 2 1 386.315 1.707 20 0 GDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1sc2c(c1Br)C[NH2+]C2 ZINC000852798443 655622920 /nfs/dbraw/zinc/62/29/20/655622920.db2.gz KGEXGUJHZYUPBH-VHSXEESVSA-N 2 1 386.315 1.707 20 0 GDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870856346 656250559 /nfs/dbraw/zinc/25/05/59/656250559.db2.gz VZLGOJKYBLQIAG-HOTGVXAUSA-N 2 1 384.318 1.922 20 0 GDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789388 656984409 /nfs/dbraw/zinc/98/44/09/656984409.db2.gz DRKHFZWIFLFNCV-JKSUJKDBSA-N 2 1 375.579 1.262 20 0 GDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789388 656984411 /nfs/dbraw/zinc/98/44/11/656984411.db2.gz DRKHFZWIFLFNCV-JKSUJKDBSA-N 2 1 375.579 1.262 20 0 GDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789388 656984415 /nfs/dbraw/zinc/98/44/15/656984415.db2.gz DRKHFZWIFLFNCV-JKSUJKDBSA-N 2 1 375.579 1.262 20 0 GDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789388 656984419 /nfs/dbraw/zinc/98/44/19/656984419.db2.gz DRKHFZWIFLFNCV-JKSUJKDBSA-N 2 1 375.579 1.262 20 0 GDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)CC2)C1 ZINC000884236609 657339206 /nfs/dbraw/zinc/33/92/06/657339206.db2.gz ZSQFYLOGZZMUDH-DLBZAZTESA-N 2 1 395.345 1.687 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1C[C@@H]2CSC[C@]2(C)C1)[NH+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934770465 657375644 /nfs/dbraw/zinc/37/56/44/657375644.db2.gz YWOFMACIVJPBFZ-RFLLJTPXSA-N 2 1 383.627 1.861 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1C[C@@H]2CSC[C@]2(C)C1)[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934770465 657375648 /nfs/dbraw/zinc/37/56/48/657375648.db2.gz YWOFMACIVJPBFZ-RFLLJTPXSA-N 2 1 383.627 1.861 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1C[C@@H]2CSC[C@]2(C)C1)[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934770465 657375655 /nfs/dbraw/zinc/37/56/55/657375655.db2.gz YWOFMACIVJPBFZ-RFLLJTPXSA-N 2 1 383.627 1.861 20 0 GDADMP C[C@H](NC(=O)[C@H]([NH3+])c1ccccc1I)[C@H]1CCC[NH2+]C1 ZINC000911724465 660017565 /nfs/dbraw/zinc/01/75/65/660017565.db2.gz CPTBALHNWFWYGX-COPLHBTASA-N 2 1 387.265 1.795 20 0 GDADMP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])c1ccccc1I ZINC000911856812 660019675 /nfs/dbraw/zinc/01/96/75/660019675.db2.gz BXYQTKYWHLBQCR-GFCCVEGCSA-N 2 1 375.254 1.925 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)n2)CC1 ZINC001164619768 719048982 /nfs/dbraw/zinc/04/89/82/719048982.db2.gz DTYMUIMZYYYDQO-DENIHFKCSA-N 2 1 378.524 1.812 20 0 GDADMP CCOC(=O)c1cnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(OC)c1 ZINC001164681106 719629543 /nfs/dbraw/zinc/62/95/43/719629543.db2.gz AMCZUAANVWXDRF-UHFFFAOYSA-N 2 1 387.484 1.939 20 0 GDADMP CCOC(=O)c1cnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(OC)c1 ZINC001164681106 719629550 /nfs/dbraw/zinc/62/95/50/719629550.db2.gz AMCZUAANVWXDRF-UHFFFAOYSA-N 2 1 387.484 1.939 20 0 GDADMP COC(=O)c1cc2cnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2n1C ZINC001164679799 719637028 /nfs/dbraw/zinc/63/70/28/719637028.db2.gz NJATUPNEEIIAMI-UHFFFAOYSA-N 2 1 397.483 1.427 20 0 GDADMP COC(=O)c1cc2cnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2n1C ZINC001164679799 719637035 /nfs/dbraw/zinc/63/70/35/719637035.db2.gz NJATUPNEEIIAMI-UHFFFAOYSA-N 2 1 397.483 1.427 20 0 GDADMP [NH3+]C1CCN(c2ccnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164735755 720411030 /nfs/dbraw/zinc/41/10/30/720411030.db2.gz YPWPPZXPYUWUIJ-MOPGFXCFSA-N 2 1 379.512 1.652 20 0 GDADMP c1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C[NH+]2CCCC2)c1 ZINC001164746130 720802778 /nfs/dbraw/zinc/80/27/78/720802778.db2.gz LVARUSIVFRPCMN-RBUKOAKNSA-N 2 1 380.496 1.809 20 0 GDADMP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(N(C)C)[nH+]1 ZINC001164748950 720813823 /nfs/dbraw/zinc/81/38/23/720813823.db2.gz SBLOGQKYDMYVEZ-IPMKNSEASA-N 2 1 396.543 1.822 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164748950 720813825 /nfs/dbraw/zinc/81/38/25/720813825.db2.gz SBLOGQKYDMYVEZ-IPMKNSEASA-N 2 1 396.543 1.822 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164748950 720813826 /nfs/dbraw/zinc/81/38/26/720813826.db2.gz SBLOGQKYDMYVEZ-IPMKNSEASA-N 2 1 396.543 1.822 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164769902 721145010 /nfs/dbraw/zinc/14/50/10/721145010.db2.gz PYPOGEYKRLADSK-ROUUACIJSA-N 2 1 395.511 1.770 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164769902 721145019 /nfs/dbraw/zinc/14/50/19/721145019.db2.gz PYPOGEYKRLADSK-ROUUACIJSA-N 2 1 395.511 1.770 20 0 GDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(N(C)C)cc[nH+]3)CC2)C1 ZINC001164868896 721272446 /nfs/dbraw/zinc/27/24/46/721272446.db2.gz GAVWMQYQJBHGBW-UHFFFAOYSA-N 2 1 375.517 1.155 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164985763 722106523 /nfs/dbraw/zinc/10/65/23/722106523.db2.gz WMIPRRIPBOQMAV-XLIONFOSSA-N 2 1 380.496 1.245 20 0 GDADMP CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC001571265142 945501119 /nfs/dbraw/zinc/50/11/19/945501119.db2.gz DVUITFVYFIHXEN-SFHVURJKSA-N 2 1 385.516 1.630 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571282860 945864907 /nfs/dbraw/zinc/86/49/07/945864907.db2.gz SYUKVHVAAJNZSO-CVEARBPZSA-N 2 1 387.463 1.038 20 0 GDADMP CC(C)C(=O)NCCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824178597 946610510 /nfs/dbraw/zinc/61/05/10/946610510.db2.gz ZDHZGYHKBRLOBH-UHFFFAOYSA-N 2 1 385.516 1.583 20 0 GDADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574432979 948946057 /nfs/dbraw/zinc/94/60/57/948946057.db2.gz RKDMSARNPKQNSZ-CQSZACIVSA-N 2 1 382.472 1.481 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574926413 948998676 /nfs/dbraw/zinc/99/86/76/948998676.db2.gz PRKXWBMUUAQBAI-LBPRGKRZSA-N 2 1 375.452 1.084 20 0 GDADMP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573782744 949133567 /nfs/dbraw/zinc/13/35/67/949133567.db2.gz XFOYGPCTDRHXLT-INIZCTEOSA-N 2 1 383.500 1.432 20 0 GDADMP CC(C)(C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573782744 949133577 /nfs/dbraw/zinc/13/35/77/949133577.db2.gz XFOYGPCTDRHXLT-INIZCTEOSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574708258 949487878 /nfs/dbraw/zinc/48/78/78/949487878.db2.gz UURPUTWWAYUSBC-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574956671 949585981 /nfs/dbraw/zinc/58/59/81/949585981.db2.gz LTBYBAUHADLMBI-OUCADQQQSA-N 2 1 377.518 1.205 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574956671 949585999 /nfs/dbraw/zinc/58/59/99/949585999.db2.gz LTBYBAUHADLMBI-OUCADQQQSA-N 2 1 377.518 1.205 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574956671 949586020 /nfs/dbraw/zinc/58/60/20/949586020.db2.gz LTBYBAUHADLMBI-OUCADQQQSA-N 2 1 377.518 1.205 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574956671 949586046 /nfs/dbraw/zinc/58/60/46/949586046.db2.gz LTBYBAUHADLMBI-OUCADQQQSA-N 2 1 377.518 1.205 20 0 GDADMP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575270882 949605938 /nfs/dbraw/zinc/60/59/38/949605938.db2.gz GQKOQSKPMWVCQC-CYBMUJFWSA-N 2 1 389.479 1.284 20 0 GDADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576170338 949714326 /nfs/dbraw/zinc/71/43/26/949714326.db2.gz KIBXAJFSJWNJEQ-YOEHRIQHSA-N 2 1 386.504 1.063 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574723639 949853283 /nfs/dbraw/zinc/85/32/83/949853283.db2.gz AFNMRTONOZEKTC-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574723712 949858618 /nfs/dbraw/zinc/85/86/18/949858618.db2.gz BZGTYNBZBCDNLT-CYBMUJFWSA-N 2 1 377.468 1.283 20 0 GDADMP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192241 950232409 /nfs/dbraw/zinc/23/24/09/950232409.db2.gz LCDALJBCOFKICP-RDJZCZTQSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192241 950232425 /nfs/dbraw/zinc/23/24/25/950232425.db2.gz LCDALJBCOFKICP-RDJZCZTQSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192241 950232446 /nfs/dbraw/zinc/23/24/46/950232446.db2.gz LCDALJBCOFKICP-RDJZCZTQSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192241 950232462 /nfs/dbraw/zinc/23/24/62/950232462.db2.gz LCDALJBCOFKICP-RDJZCZTQSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576196689 950366242 /nfs/dbraw/zinc/36/62/42/950366242.db2.gz FWTOSLRJRFHKAD-CQSZACIVSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576196689 950366265 /nfs/dbraw/zinc/36/62/65/950366265.db2.gz FWTOSLRJRFHKAD-CQSZACIVSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576196689 950366287 /nfs/dbraw/zinc/36/62/87/950366287.db2.gz FWTOSLRJRFHKAD-CQSZACIVSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576197424 950390402 /nfs/dbraw/zinc/39/04/02/950390402.db2.gz NJUFOCGCACOWKW-GJZGRUSLSA-N 2 1 384.488 1.031 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204037 950453479 /nfs/dbraw/zinc/45/34/79/950453479.db2.gz KCNNGBQYSYREIY-MRXNPFEDSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)CC2)C1 ZINC001576205759 950539012 /nfs/dbraw/zinc/53/90/12/950539012.db2.gz ONBWUYZQMRFXEB-ZDUSSCGKSA-N 2 1 387.463 1.086 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001576213448 950626422 /nfs/dbraw/zinc/62/64/22/950626422.db2.gz AFVMGOCETSLCIF-WQVCFCJDSA-N 2 1 387.463 1.084 20 0 GDADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077337 951665970 /nfs/dbraw/zinc/66/59/70/951665970.db2.gz FXHVBHRLCXKQFJ-KGLIPLIRSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575098079 951820177 /nfs/dbraw/zinc/82/01/77/951820177.db2.gz AGSXYDCXFHWMCG-TZMCWYRMSA-N 2 1 377.518 1.349 20 0 GDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001571191656 952946287 /nfs/dbraw/zinc/94/62/87/952946287.db2.gz PYWRYVMUNFWUCO-RYRKJORJSA-N 2 1 381.484 1.246 20 0 GDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001571191656 952946289 /nfs/dbraw/zinc/94/62/89/952946289.db2.gz PYWRYVMUNFWUCO-RYRKJORJSA-N 2 1 381.484 1.246 20 0 GDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]2C1 ZINC001571191656 952946291 /nfs/dbraw/zinc/94/62/91/952946291.db2.gz PYWRYVMUNFWUCO-RYRKJORJSA-N 2 1 381.484 1.246 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@H+]1C ZINC001571235223 953210166 /nfs/dbraw/zinc/21/01/66/953210166.db2.gz XMBHDKUTABHKKO-ZTFGCOKTSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[NH+]1C ZINC001571235223 953210169 /nfs/dbraw/zinc/21/01/69/953210169.db2.gz XMBHDKUTABHKKO-ZTFGCOKTSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[NH+]1C ZINC001571235223 953210170 /nfs/dbraw/zinc/21/01/70/953210170.db2.gz XMBHDKUTABHKKO-ZTFGCOKTSA-N 2 1 383.500 1.288 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235326 953211535 /nfs/dbraw/zinc/21/15/35/953211535.db2.gz ZZZNCYYWLHQXAJ-AEFFLSMTSA-N 2 1 383.500 1.432 20 0 GDADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000261995103 531104854 /nfs/dbraw/zinc/10/48/54/531104854.db2.gz DCKXFWCPBXADGX-UHFFFAOYSA-N 2 1 397.317 1.450 20 0 GDADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000261995103 531104856 /nfs/dbraw/zinc/10/48/56/531104856.db2.gz DCKXFWCPBXADGX-UHFFFAOYSA-N 2 1 397.317 1.450 20 0 GDADMP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1Br ZINC000261711734 531096444 /nfs/dbraw/zinc/09/64/44/531096444.db2.gz PSCZFJFSHYPPPW-CYBMUJFWSA-N 2 1 397.317 1.483 20 0 GDADMP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1Br ZINC000261711734 531096448 /nfs/dbraw/zinc/09/64/48/531096448.db2.gz PSCZFJFSHYPPPW-CYBMUJFWSA-N 2 1 397.317 1.483 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000264362155 531181024 /nfs/dbraw/zinc/18/10/24/531181024.db2.gz IVEPMBVIPPLRPZ-UHFFFAOYSA-N 2 1 394.313 1.979 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1Br ZINC000415382221 531481465 /nfs/dbraw/zinc/48/14/65/531481465.db2.gz RTKADVAFJKBSNT-ZDUSSCGKSA-N 2 1 383.290 1.317 20 0 GDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415622044 531505111 /nfs/dbraw/zinc/50/51/11/531505111.db2.gz XCTGNKLKYPHMES-IAQYHMDHSA-N 2 1 397.317 1.563 20 0 GDADMP CCN(CC)CCS(=O)(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000558487733 531563445 /nfs/dbraw/zinc/56/34/45/531563445.db2.gz GPNLEJXPFWGITQ-SFHVURJKSA-N 2 1 385.599 1.865 20 0 GDADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000638133125 531645841 /nfs/dbraw/zinc/64/58/41/531645841.db2.gz SQIZQPVAMHYGCK-CVEARBPZSA-N 2 1 382.302 1.646 20 0 GDADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662437422 531677553 /nfs/dbraw/zinc/67/75/53/531677553.db2.gz DRCXXIWPOHDTOA-DOMZBBRYSA-N 2 1 397.317 1.153 20 0 GDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662437422 531677561 /nfs/dbraw/zinc/67/75/61/531677561.db2.gz DRCXXIWPOHDTOA-DOMZBBRYSA-N 2 1 397.317 1.153 20 0 GDADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662437425 531678594 /nfs/dbraw/zinc/67/85/94/531678594.db2.gz DRCXXIWPOHDTOA-SWLSCSKDSA-N 2 1 397.317 1.153 20 0 GDADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662437425 531678603 /nfs/dbraw/zinc/67/86/03/531678603.db2.gz DRCXXIWPOHDTOA-SWLSCSKDSA-N 2 1 397.317 1.153 20 0 GDADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]([NH3+])c3ccccc3Br)C[C@H]2[NH3+])cn1 ZINC000662580449 531689768 /nfs/dbraw/zinc/68/97/68/531689768.db2.gz RQVZKIXFUPXDIA-CFVMTHIKSA-N 2 1 378.274 1.136 20 0 GDADMP Cn1cc([C@@H]2CN(C(=O)[C@H]([NH3+])c3ccccc3Br)C[C@H]2[NH3+])cn1 ZINC000662580450 531690180 /nfs/dbraw/zinc/69/01/80/531690180.db2.gz RQVZKIXFUPXDIA-NWANDNLSSA-N 2 1 378.274 1.136 20 0 GDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1cccc(Br)c1 ZINC000297987419 531840377 /nfs/dbraw/zinc/84/03/77/531840377.db2.gz AERYNTMJQOIUOO-INIZCTEOSA-N 2 1 384.318 1.578 20 0 GDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1cccc(Br)c1 ZINC000297987419 531840386 /nfs/dbraw/zinc/84/03/86/531840386.db2.gz AERYNTMJQOIUOO-INIZCTEOSA-N 2 1 384.318 1.578 20 0 GDADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000418808925 531842382 /nfs/dbraw/zinc/84/23/82/531842382.db2.gz RYNYPWDLGYNZNQ-NSHDSACASA-N 2 1 387.311 1.537 20 0 GDADMP [NH3+][C@H](CNC(=O)c1sc2c(c1I)C[NH2+]C2)C1CC1 ZINC000595949663 531895473 /nfs/dbraw/zinc/89/54/73/531895473.db2.gz YPVVVFQOSRJDKT-MRVPVSSYSA-N 2 1 377.251 1.423 20 0 GDADMP C[N@@H+](CCC(=O)Nc1cccc(Br)c1)CC(=O)N1CC[NH2+]CC1 ZINC000430613694 532253236 /nfs/dbraw/zinc/25/32/36/532253236.db2.gz ADXZVCZDBPQKRH-UHFFFAOYSA-N 2 1 383.290 1.141 20 0 GDADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430624485 532253666 /nfs/dbraw/zinc/25/36/66/532253666.db2.gz ISVNFWWVPURTOS-QWHCGFSZSA-N 2 1 397.317 1.563 20 0 GDADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000359866684 209198597 /nfs/dbraw/zinc/19/85/97/209198597.db2.gz ITNIKDCSUGTGRP-IBGZPJMESA-N 2 1 375.517 1.276 20 0 GDADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000328627084 209149014 /nfs/dbraw/zinc/14/90/14/209149014.db2.gz FUKNMCJQURCCFA-RBUKOAKNSA-N 2 1 385.516 1.455 20 0 GDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736572313 598540489 /nfs/dbraw/zinc/54/04/89/598540489.db2.gz YEHJEFGFEMDVLS-UHFFFAOYSA-N 2 1 397.527 1.633 20 0 GDADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCC3([NH+](C)C)CCOCC3)c2c1 ZINC000822195249 599558749 /nfs/dbraw/zinc/55/87/49/599558749.db2.gz LSEMHYWCPXPUNH-UHFFFAOYSA-N 2 1 381.484 1.976 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825851769 607525346 /nfs/dbraw/zinc/52/53/46/607525346.db2.gz YCRNSLPRSIRNAD-KZNAEPCWSA-N 2 1 399.499 1.379 20 0 GDADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596653 606097885 /nfs/dbraw/zinc/09/78/85/606097885.db2.gz QTYGVQJGTCIAMQ-SJLPKXTDSA-N 2 1 386.500 1.270 20 0 GDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596653 606097888 /nfs/dbraw/zinc/09/78/88/606097888.db2.gz QTYGVQJGTCIAMQ-SJLPKXTDSA-N 2 1 386.500 1.270 20 0 GDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596653 606097893 /nfs/dbraw/zinc/09/78/93/606097893.db2.gz QTYGVQJGTCIAMQ-SJLPKXTDSA-N 2 1 386.500 1.270 20 0 GDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596653 606097895 /nfs/dbraw/zinc/09/78/95/606097895.db2.gz QTYGVQJGTCIAMQ-SJLPKXTDSA-N 2 1 386.500 1.270 20 0 GDADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000823706836 607152278 /nfs/dbraw/zinc/15/22/78/607152278.db2.gz PSECAHIOOLBMAF-ROUUACIJSA-N 2 1 396.499 1.372 20 0 GDADMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1-c1nn[nH]n1 ZINC000826077149 608021342 /nfs/dbraw/zinc/02/13/42/608021342.db2.gz BIPCAFXHMGJWOL-CQSZACIVSA-N 2 1 387.492 1.087 20 0 GDADMP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000826169508 608374490 /nfs/dbraw/zinc/37/44/90/608374490.db2.gz VRVODEJNALYJKK-UHFFFAOYSA-N 2 1 399.543 1.866 20 0 GDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000824708125 608687034 /nfs/dbraw/zinc/68/70/34/608687034.db2.gz XIZMMZKWTJWKLV-CQSZACIVSA-N 2 1 384.488 1.039 20 0 GDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)COc1cc(F)cc(Br)c1 ZINC000566232956 650836529 /nfs/dbraw/zinc/83/65/29/650836529.db2.gz FNUWWIJLYDXQCZ-HUUCEWRRSA-N 2 1 391.281 1.374 20 0 GDADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000568108835 650937387 /nfs/dbraw/zinc/93/73/87/650937387.db2.gz OVLXCLBFRGQHEE-KBPBESRZSA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000568108835 650937390 /nfs/dbraw/zinc/93/73/90/650937390.db2.gz OVLXCLBFRGQHEE-KBPBESRZSA-N 2 1 381.274 1.022 20 0 GDADMP OCC[NH+]1CCN(CCCC[NH2+]Cc2cscc2Br)CC1 ZINC000511987343 648394274 /nfs/dbraw/zinc/39/42/74/648394274.db2.gz DLNJEHJJTCXJKH-UHFFFAOYSA-N 2 1 376.364 1.990 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000516632574 648530142 /nfs/dbraw/zinc/53/01/42/648530142.db2.gz AWTYOBGNBISBFQ-CYBMUJFWSA-N 2 1 397.321 1.469 20 0 GDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)COc1ccc(Br)cc1 ZINC000573206745 651471430 /nfs/dbraw/zinc/47/14/30/651471430.db2.gz MCLFDZPWUCRVSS-HZPDHXFCSA-N 2 1 387.318 1.625 20 0 GDADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574292337 651529823 /nfs/dbraw/zinc/52/98/23/651529823.db2.gz LPRHWRAZZOWNGQ-KBPBESRZSA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574292337 651529833 /nfs/dbraw/zinc/52/98/33/651529833.db2.gz LPRHWRAZZOWNGQ-KBPBESRZSA-N 2 1 381.274 1.022 20 0 GDADMP CN(C(=O)c1sc2c(c1I)C[NH2+]C2)C1CC[NH2+]CC1 ZINC000595919719 652427003 /nfs/dbraw/zinc/42/70/03/652427003.db2.gz MNWSQMZLSGHOCY-UHFFFAOYSA-N 2 1 391.278 1.780 20 0 GDADMP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595952664 652429820 /nfs/dbraw/zinc/42/98/20/652429820.db2.gz RRGBSMRMHWPASV-VIFPVBQESA-N 2 1 391.278 1.826 20 0 GDADMP C[S@@](=O)C1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH2+]CC1 ZINC000602469580 652638268 /nfs/dbraw/zinc/63/82/68/652638268.db2.gz URFHKICSWMDDEI-SGANQWHYSA-N 2 1 383.583 1.577 20 0 GDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccncc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000629516424 653167920 /nfs/dbraw/zinc/16/79/20/653167920.db2.gz FIPKYCAXVUGZOP-CJNGLKHVSA-N 2 1 381.318 1.924 20 0 GDADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccncc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000629516424 653167921 /nfs/dbraw/zinc/16/79/21/653167921.db2.gz FIPKYCAXVUGZOP-CJNGLKHVSA-N 2 1 381.318 1.924 20 0 GDADMP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000629511272 653168273 /nfs/dbraw/zinc/16/82/73/653168273.db2.gz LYKRLMOHYGRIBI-INIZCTEOSA-N 2 1 381.318 1.539 20 0 GDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000629511272 653168276 /nfs/dbraw/zinc/16/82/76/653168276.db2.gz LYKRLMOHYGRIBI-INIZCTEOSA-N 2 1 381.318 1.539 20 0 GDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000632953688 653416616 /nfs/dbraw/zinc/41/66/16/653416616.db2.gz TVVBGOYZSNNGGG-YPMHNXCESA-N 2 1 397.321 1.549 20 0 GDADMP Cc1ccc(S(=O)(=O)NCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000638783407 653543534 /nfs/dbraw/zinc/54/35/34/653543534.db2.gz KOYLZCDKMVNNDE-UHFFFAOYSA-N 2 1 375.560 1.160 20 0 GDADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1cccc(Br)c1 ZINC000647517873 653628078 /nfs/dbraw/zinc/62/80/78/653628078.db2.gz QDPVMGKQVRUSSO-MRXNPFEDSA-N 2 1 387.318 1.625 20 0 GDADMP C[N@@H+]1CC[C@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000923636418 656579008 /nfs/dbraw/zinc/57/90/08/656579008.db2.gz XOCUDGBOEMHDEA-CJNGLKHVSA-N 2 1 390.912 1.212 20 0 GDADMP C[N@H+]1CC[C@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000923636418 656579010 /nfs/dbraw/zinc/57/90/10/656579010.db2.gz XOCUDGBOEMHDEA-CJNGLKHVSA-N 2 1 390.912 1.212 20 0 GDADMP COC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000879664468 656817990 /nfs/dbraw/zinc/81/79/90/656817990.db2.gz XWPGHFWLZUSQFK-MRXNPFEDSA-N 2 1 384.318 1.937 20 0 GDADMP C[NH2+]CCN(C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C(C)C ZINC000927865065 656846452 /nfs/dbraw/zinc/84/64/52/656846452.db2.gz NEZIDCSLOMPUIN-UHFFFAOYSA-N 2 1 399.333 1.906 20 0 GDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)c3cccc(Br)c3)nn2)CC1 ZINC000881408216 656934133 /nfs/dbraw/zinc/93/41/33/656934133.db2.gz VMPVQOQRJGGMJQ-KRWDZBQOSA-N 2 1 394.317 1.740 20 0 GDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884180342 657333133 /nfs/dbraw/zinc/33/31/33/657333133.db2.gz VDFJPYXEYSGGPQ-JKSUJKDBSA-N 2 1 384.318 1.922 20 0 GDADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](N)c2ccc(Br)cc2)C[C@H]1C[NH+](C)C ZINC000884453639 657358122 /nfs/dbraw/zinc/35/81/22/657358122.db2.gz VAWNBMUQTKHYCA-BFYDXBDKSA-N 2 1 397.361 1.647 20 0 GDADMP Cn1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(I)n1 ZINC000894261435 658530425 /nfs/dbraw/zinc/53/04/25/658530425.db2.gz TWPWASJCVSZDKW-CYBMUJFWSA-N 2 1 392.285 1.351 20 0 GDADMP CC(C)[NH+]1CCC([NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905029565 659417810 /nfs/dbraw/zinc/41/78/10/659417810.db2.gz YKUMMCVTPJJFGT-INIZCTEOSA-N 2 1 375.579 1.450 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)cc1Br ZINC000906703838 659573544 /nfs/dbraw/zinc/57/35/44/659573544.db2.gz CAJBANKWDJPAPJ-AWEZNQCLSA-N 2 1 397.317 1.563 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1Br ZINC000906727443 659576995 /nfs/dbraw/zinc/57/69/95/659576995.db2.gz PIPFCOGOPQLACW-VHDGCEQUSA-N 2 1 395.301 1.458 20 0 GDADMP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]([NH3+])c2ccccc2I)CC1 ZINC000911761435 660018041 /nfs/dbraw/zinc/01/80/41/660018041.db2.gz PVPSJUTXIGSMFD-HZMBPMFUSA-N 2 1 387.265 1.877 20 0 GDADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]([NH3+])c2ccccc2I)CC1 ZINC000911761448 660018043 /nfs/dbraw/zinc/01/80/43/660018043.db2.gz PVPSJUTXIGSMFD-YGRLFVJLSA-N 2 1 387.265 1.877 20 0 GDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3CC[NH2+]CC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841699 720508274 /nfs/dbraw/zinc/50/82/74/720508274.db2.gz ZPBSUYQHBANQMO-LVCYWYKZSA-N 2 1 395.555 1.739 20 0 GDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3CC[NH2+]C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838886 720520836 /nfs/dbraw/zinc/52/08/36/720520836.db2.gz RSAQJMPWPOVNCX-FUHIMQAGSA-N 2 1 381.528 1.697 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCCC4)[nH+]c(C)n3)CC[C@H]2C1 ZINC001164854276 720836731 /nfs/dbraw/zinc/83/67/31/720836731.db2.gz QYMFQYRHEQLZGB-ROUUACIJSA-N 2 1 375.517 1.559 20 0 GDADMP COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCCC4)nc(C)[nH+]3)CC[C@H]2C1 ZINC001164854276 720836732 /nfs/dbraw/zinc/83/67/32/720836732.db2.gz QYMFQYRHEQLZGB-ROUUACIJSA-N 2 1 375.517 1.559 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCCC4)nc(C)[nH+]3)CC[C@H]2C1 ZINC001164854276 720836737 /nfs/dbraw/zinc/83/67/37/720836737.db2.gz QYMFQYRHEQLZGB-ROUUACIJSA-N 2 1 375.517 1.559 20 0 GDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164752023 720861028 /nfs/dbraw/zinc/86/10/28/720861028.db2.gz SNTOEYPXIJIDSZ-XKGZKEIXSA-N 2 1 394.527 1.134 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C3C[NH2+]C3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164808065 721591714 /nfs/dbraw/zinc/59/17/14/721591714.db2.gz PTHURDWRGLUTDD-ZVDOUQERSA-N 2 1 380.496 1.427 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc5c(n4)CC[NH2+]C5)CC[C@H]3C2)c1 ZINC001164980825 722103924 /nfs/dbraw/zinc/10/39/24/722103924.db2.gz KNEBZSMBGHNOEP-FPOVZHCZSA-N 2 1 379.508 1.850 20 0 GDADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001571265126 945502110 /nfs/dbraw/zinc/50/21/10/945502110.db2.gz DKCODAYSIKETGY-QZTJIDSGSA-N 2 1 385.516 1.630 20 0 GDADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281854 945818256 /nfs/dbraw/zinc/81/82/56/945818256.db2.gz AXYYGYVCTSGPIF-GJZGRUSLSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281854 945818259 /nfs/dbraw/zinc/81/82/59/945818259.db2.gz AXYYGYVCTSGPIF-GJZGRUSLSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281854 945818271 /nfs/dbraw/zinc/81/82/71/945818271.db2.gz AXYYGYVCTSGPIF-GJZGRUSLSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281854 945818279 /nfs/dbraw/zinc/81/82/79/945818279.db2.gz AXYYGYVCTSGPIF-GJZGRUSLSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294299 946131384 /nfs/dbraw/zinc/13/13/84/946131384.db2.gz FACHMCXYQJPIPP-KGLIPLIRSA-N 2 1 389.529 1.351 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571294729 946143964 /nfs/dbraw/zinc/14/39/64/946143964.db2.gz LIOVBDDEJINFPD-DZGCQCFKSA-N 2 1 389.529 1.493 20 0 GDADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824974730 947014802 /nfs/dbraw/zinc/01/48/02/947014802.db2.gz DZBMSMXRUSTAFF-YWZLYKJASA-N 2 1 381.528 1.903 20 0 GDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824974730 947014812 /nfs/dbraw/zinc/01/48/12/947014812.db2.gz DZBMSMXRUSTAFF-YWZLYKJASA-N 2 1 381.528 1.903 20 0 GDADMP OCC1(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOCC1 ZINC000826508627 948429163 /nfs/dbraw/zinc/42/91/63/948429163.db2.gz WMFFXGCWRXRZIG-UHFFFAOYSA-N 2 1 386.500 1.210 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926018 948979376 /nfs/dbraw/zinc/97/93/76/948979376.db2.gz GJUJAXSHSQPZJM-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926018 948979383 /nfs/dbraw/zinc/97/93/83/948979383.db2.gz GJUJAXSHSQPZJM-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926018 948979393 /nfs/dbraw/zinc/97/93/93/948979393.db2.gz GJUJAXSHSQPZJM-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574926876 949025877 /nfs/dbraw/zinc/02/58/77/949025877.db2.gz ZMNDGAJZHMAERX-GFCCVEGCSA-N 2 1 375.452 1.084 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574706754 949463088 /nfs/dbraw/zinc/46/30/88/949463088.db2.gz MRGLSIRQMHDVNX-LRDDRELGSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266096 949469626 /nfs/dbraw/zinc/46/96/26/949469626.db2.gz XDPIEXBBJFBWMC-RDTXWAMCSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574957354 949609903 /nfs/dbraw/zinc/60/99/03/949609903.db2.gz VZUZBWFNIOYGHH-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574957354 949609915 /nfs/dbraw/zinc/60/99/15/949609915.db2.gz VZUZBWFNIOYGHH-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574957354 949609933 /nfs/dbraw/zinc/60/99/33/949609933.db2.gz VZUZBWFNIOYGHH-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574957354 949609947 /nfs/dbraw/zinc/60/99/47/949609947.db2.gz VZUZBWFNIOYGHH-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575875917 949635743 /nfs/dbraw/zinc/63/57/43/949635743.db2.gz WLTUWYAFXBNWAZ-BBRMVZONSA-N 2 1 384.488 1.077 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574153067 950126523 /nfs/dbraw/zinc/12/65/23/950126523.db2.gz MESNYXIHMSOQBH-WMZOPIPTSA-N 2 1 385.516 1.581 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576208466 950611099 /nfs/dbraw/zinc/61/10/99/950611099.db2.gz QQYNXUWLSYAIAP-ZVZYQTTQSA-N 2 1 383.500 1.193 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574523973 950843917 /nfs/dbraw/zinc/84/39/17/950843917.db2.gz SQXHYCYOEHGFLT-KGLIPLIRSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001574772057 950957693 /nfs/dbraw/zinc/95/76/93/950957693.db2.gz PBUNPYOLSVNKLH-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001574772057 950957715 /nfs/dbraw/zinc/95/77/15/950957715.db2.gz PBUNPYOLSVNKLH-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574772057 950957731 /nfs/dbraw/zinc/95/77/31/950957731.db2.gz PBUNPYOLSVNKLH-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574772057 950957740 /nfs/dbraw/zinc/95/77/40/950957740.db2.gz PBUNPYOLSVNKLH-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090975 951766617 /nfs/dbraw/zinc/76/66/17/951766617.db2.gz OPYGPJBIBCIDAO-CYBMUJFWSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575101187 951855195 /nfs/dbraw/zinc/85/51/95/951855195.db2.gz ATAKVRDRWZCTFH-YRGRVCCFSA-N 2 1 377.518 1.205 20 0 GDADMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113624 951942649 /nfs/dbraw/zinc/94/26/49/951942649.db2.gz CIJGTKVAUSKHAE-NVXWUHKLSA-N 2 1 385.516 1.583 20 0 GDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575145290 952181841 /nfs/dbraw/zinc/18/18/41/952181841.db2.gz VGVLTSSFYFYDGA-YOEHRIQHSA-N 2 1 386.504 1.205 20 0 GDADMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1-c1nn[nH]n1)C2)[NH+](C)C ZINC001571233945 953197339 /nfs/dbraw/zinc/19/73/39/953197339.db2.gz IWDIFMQVXAEGIT-QGZVFWFLSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234326 953201321 /nfs/dbraw/zinc/20/13/21/953201321.db2.gz UKPUZFSMGCDLCH-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234326 953201323 /nfs/dbraw/zinc/20/13/23/953201323.db2.gz UKPUZFSMGCDLCH-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234326 953201326 /nfs/dbraw/zinc/20/13/26/953201326.db2.gz UKPUZFSMGCDLCH-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173393156 530629642 /nfs/dbraw/zinc/62/96/42/530629642.db2.gz YJCHWVKUUABDTI-AWEZNQCLSA-N 2 1 399.333 1.626 20 0 GDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000484912396 531427222 /nfs/dbraw/zinc/42/72/22/531427222.db2.gz FCSKPCPFVDZSBD-STQMWFEESA-N 2 1 386.327 1.706 20 0 GDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000484912396 531427225 /nfs/dbraw/zinc/42/72/25/531427225.db2.gz FCSKPCPFVDZSBD-STQMWFEESA-N 2 1 386.327 1.706 20 0 GDADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414247515 531437209 /nfs/dbraw/zinc/43/72/09/531437209.db2.gz UDMOGKKAQWVREW-UHFFFAOYSA-N 2 1 378.336 1.774 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CCC([NH3+])CC2)cc1Br ZINC000415274302 531470506 /nfs/dbraw/zinc/47/05/06/531470506.db2.gz WUCUFJSRLAWJRU-UHFFFAOYSA-N 2 1 383.290 1.399 20 0 GDADMP CC[NH2+]CCCNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000557018264 531506524 /nfs/dbraw/zinc/50/65/24/531506524.db2.gz BTPIGDFMKULLQJ-UHFFFAOYSA-N 2 1 399.337 1.717 20 0 GDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415787896 531530033 /nfs/dbraw/zinc/53/00/33/531530033.db2.gz LNNUSZIMDWLFOV-GHMZBOCLSA-N 2 1 385.310 1.453 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1Br ZINC000659097821 531540354 /nfs/dbraw/zinc/54/03/54/531540354.db2.gz MMKKZBSBBKZVKZ-UHFFFAOYSA-N 2 1 397.317 1.837 20 0 GDADMP [NH3+][C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000662710800 531694953 /nfs/dbraw/zinc/69/49/53/531694953.db2.gz ZFGPHPKAYQXWSE-CJNGLKHVSA-N 2 1 382.302 1.818 20 0 GDADMP C[N@@H+](C[C@@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1)C1CC1 ZINC000641222040 531788067 /nfs/dbraw/zinc/78/80/67/531788067.db2.gz JNROVYITTBHKNR-ZBFHGGJFSA-N 2 1 380.290 1.544 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCCC(C)(C)[NH3+])CC1 ZINC000641817569 531852761 /nfs/dbraw/zinc/85/27/61/531852761.db2.gz JYLDJZMRJSTYFV-UHFFFAOYSA-N 2 1 399.337 1.845 20 0 GDADMP CO[C@H](C)CS(=O)(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375583983 532171380 /nfs/dbraw/zinc/17/13/80/532171380.db2.gz MFHTZAYFQCILFV-MRXNPFEDSA-N 2 1 375.579 1.479 20 0 GDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000428232949 532200872 /nfs/dbraw/zinc/20/08/72/532200872.db2.gz PNXBJEHCYKWHIU-ZIAGYGMSSA-N 2 1 399.333 1.176 20 0 GDADMP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)CC(C)C ZINC000736534105 598522072 /nfs/dbraw/zinc/52/20/72/598522072.db2.gz LWRBBQYWICCGNW-HUUCEWRRSA-N 2 1 375.525 1.451 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000567358664 650901632 /nfs/dbraw/zinc/90/16/32/650901632.db2.gz AROXNSQQZXXBCI-CYBMUJFWSA-N 2 1 397.321 1.469 20 0 GDADMP C[NH+](CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000107694390 644616320 /nfs/dbraw/zinc/61/63/20/644616320.db2.gz UROHWKTXECZHBV-ROUUACIJSA-N 2 1 376.563 1.118 20 0 GDADMP C[NH+](CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000107694390 644616322 /nfs/dbraw/zinc/61/63/22/644616322.db2.gz UROHWKTXECZHBV-ROUUACIJSA-N 2 1 376.563 1.118 20 0 GDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])s1 ZINC000422942331 646102056 /nfs/dbraw/zinc/10/20/56/646102056.db2.gz WNNNYTIGERPJRT-AEGPPILISA-N 2 1 375.560 1.621 20 0 GDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCn2cc(Br)cn2)CC1 ZINC000580857370 651943786 /nfs/dbraw/zinc/94/37/86/651943786.db2.gz LZBKNUMKZHSTRE-UHFFFAOYSA-N 2 1 386.338 1.566 20 0 GDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCn2cc(Br)cn2)CC1 ZINC000580857370 651943790 /nfs/dbraw/zinc/94/37/90/651943790.db2.gz LZBKNUMKZHSTRE-UHFFFAOYSA-N 2 1 386.338 1.566 20 0 GDADMP O=C(NCC[C@H]1CC[NH2+]C1)c1sc2c(c1I)C[NH2+]C2 ZINC000595924548 652427317 /nfs/dbraw/zinc/42/73/17/652427317.db2.gz MHLSSGKCUNJXFD-MRVPVSSYSA-N 2 1 391.278 1.685 20 0 GDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)COc1ccc(Br)cn1 ZINC000631276801 653233432 /nfs/dbraw/zinc/23/34/32/653233432.db2.gz SPGVYMSBSFXZBI-UHFFFAOYSA-N 2 1 399.333 1.707 20 0 GDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)COc1ccc(Br)cn1 ZINC000631276801 653233435 /nfs/dbraw/zinc/23/34/35/653233435.db2.gz SPGVYMSBSFXZBI-UHFFFAOYSA-N 2 1 399.333 1.707 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCn1cc(Br)cn1 ZINC000854059026 655656650 /nfs/dbraw/zinc/65/66/50/655656650.db2.gz FIHKIOXUTGHXKE-ZDUSSCGKSA-N 2 1 389.342 1.217 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCn1cc(Br)cn1 ZINC000854059026 655656652 /nfs/dbraw/zinc/65/66/52/655656652.db2.gz FIHKIOXUTGHXKE-ZDUSSCGKSA-N 2 1 389.342 1.217 20 0 GDADMP Cn1ncc(Br)c1C[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873218805 656389819 /nfs/dbraw/zinc/38/98/19/656389819.db2.gz RJRFXUYIQIZFRO-UHFFFAOYSA-N 2 1 376.262 1.512 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000923280660 656542437 /nfs/dbraw/zinc/54/24/37/656542437.db2.gz IKRIJZFQFKSZQZ-OCCSQVGLSA-N 2 1 390.311 1.520 20 0 GDADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923464685 656553979 /nfs/dbraw/zinc/55/39/79/656553979.db2.gz RBUJITGGVGVTKR-AWEZNQCLSA-N 2 1 383.334 1.291 20 0 GDADMP Cc1[nH]nc(Br)c1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000930526858 657031873 /nfs/dbraw/zinc/03/18/73/657031873.db2.gz RXQPIZYICXGVFM-UHFFFAOYSA-N 2 1 379.262 1.880 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@](C)(CO)c2cccc(Br)c2)CC1 ZINC000934497103 657363618 /nfs/dbraw/zinc/36/36/18/657363618.db2.gz QYXATPVHJUOROW-QGZVFWFLSA-N 2 1 384.318 1.410 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C2 ZINC000903492735 659317755 /nfs/dbraw/zinc/31/77/55/659317755.db2.gz RKPAQVWCWUVAFL-JKDFXYPNSA-N 2 1 385.917 1.572 20 0 GDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906383644 659536236 /nfs/dbraw/zinc/53/62/36/659536236.db2.gz BCJSDSPWIOBKGF-GFCCVEGCSA-N 2 1 381.691 1.893 20 0 GDADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4C[NH2+]C[C@]4(CO)C3)c2c1C ZINC001164401808 718853240 /nfs/dbraw/zinc/85/32/40/718853240.db2.gz CZPTURFQCRLACY-FOIQADDNSA-N 2 1 387.553 1.922 20 0 GDADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001164404273 718862579 /nfs/dbraw/zinc/86/25/79/718862579.db2.gz PDUXNHAJEFUVEE-NQIIRXRSSA-N 2 1 379.508 1.850 20 0 GDADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001164404273 718862582 /nfs/dbraw/zinc/86/25/82/718862582.db2.gz PDUXNHAJEFUVEE-NQIIRXRSSA-N 2 1 379.508 1.850 20 0 GDADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]cnc3c1ccn3CCOC)CC2 ZINC001164684396 719723561 /nfs/dbraw/zinc/72/35/61/719723561.db2.gz GYFMXDGJIAKMRQ-UHFFFAOYSA-N 2 1 386.500 1.259 20 0 GDADMP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]cnc3c1ccn3CCOC)CC2 ZINC001164684396 719723577 /nfs/dbraw/zinc/72/35/77/719723577.db2.gz GYFMXDGJIAKMRQ-UHFFFAOYSA-N 2 1 386.500 1.259 20 0 GDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164810345 720083798 /nfs/dbraw/zinc/08/37/98/720083798.db2.gz KXDCWKDRAITICT-FOIQADDNSA-N 2 1 391.947 1.960 20 0 GDADMP C[NH+]1CCN(c2nccc(N([C@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)n2)CC1 ZINC001164734419 720547417 /nfs/dbraw/zinc/54/74/17/720547417.db2.gz IDIUXGBJSQTISK-QGZVFWFLSA-N 2 1 388.560 1.744 20 0 GDADMP C[N@@H+](Cc1ccc(N2CC[NH+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164745851 720775268 /nfs/dbraw/zinc/77/52/68/720775268.db2.gz WARLYKWSZOXCKI-OALUTQOASA-N 2 1 380.496 1.808 20 0 GDADMP C[NH+](Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164745851 720775283 /nfs/dbraw/zinc/77/52/83/720775283.db2.gz WARLYKWSZOXCKI-OALUTQOASA-N 2 1 380.496 1.808 20 0 GDADMP C[NH+](Cc1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164745851 720775290 /nfs/dbraw/zinc/77/52/90/720775290.db2.gz WARLYKWSZOXCKI-OALUTQOASA-N 2 1 380.496 1.808 20 0 GDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(-n4ccnc4)cc[nH+]3)CC2)C1 ZINC001164873834 721289979 /nfs/dbraw/zinc/28/99/79/721289979.db2.gz BOWVZYVRHZXAIZ-UHFFFAOYSA-N 2 1 398.511 1.274 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc5c(n4)CC[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164980827 722103805 /nfs/dbraw/zinc/10/38/05/722103805.db2.gz KNEBZSMBGHNOEP-TZIWHRDSSA-N 2 1 379.508 1.850 20 0 GDADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281857 945818581 /nfs/dbraw/zinc/81/85/81/945818581.db2.gz AXYYGYVCTSGPIF-LSDHHAIUSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281857 945818594 /nfs/dbraw/zinc/81/85/94/945818594.db2.gz AXYYGYVCTSGPIF-LSDHHAIUSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281857 945818599 /nfs/dbraw/zinc/81/85/99/945818599.db2.gz AXYYGYVCTSGPIF-LSDHHAIUSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281857 945818609 /nfs/dbraw/zinc/81/86/09/945818609.db2.gz AXYYGYVCTSGPIF-LSDHHAIUSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571282337 945839082 /nfs/dbraw/zinc/83/90/82/945839082.db2.gz HPWPOHOKILBVEQ-PBHICJAKSA-N 2 1 387.463 1.181 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571283045 945871458 /nfs/dbraw/zinc/87/14/58/945871458.db2.gz YLOSHNCPAJGXBA-NUTKFTJISA-N 2 1 387.463 1.084 20 0 GDADMP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000826513594 948437096 /nfs/dbraw/zinc/43/70/96/948437096.db2.gz PURVDFZMPHDIMA-PMACEKPBSA-N 2 1 397.527 1.284 20 0 GDADMP C[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCCC1 ZINC001573715214 948486608 /nfs/dbraw/zinc/48/66/08/948486608.db2.gz RCDVBVFYPYNTRT-MRXNPFEDSA-N 2 1 385.516 1.679 20 0 GDADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574918634 948854832 /nfs/dbraw/zinc/85/48/32/948854832.db2.gz PFCWKAAWGSYIAE-ZDUSSCGKSA-N 2 1 377.468 1.284 20 0 GDADMP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573782745 949133518 /nfs/dbraw/zinc/13/35/18/949133518.db2.gz XFOYGPCTDRHXLT-MRXNPFEDSA-N 2 1 383.500 1.432 20 0 GDADMP CC(C)(C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573782745 949133533 /nfs/dbraw/zinc/13/35/33/949133533.db2.gz XFOYGPCTDRHXLT-MRXNPFEDSA-N 2 1 383.500 1.432 20 0 GDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574704216 949378137 /nfs/dbraw/zinc/37/81/37/949378137.db2.gz BAOPCHMJLDSXNS-HIFRSBDPSA-N 2 1 391.545 1.738 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574705304 949420736 /nfs/dbraw/zinc/42/07/36/949420736.db2.gz HJFGIEFIPKABLH-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574708257 949489242 /nfs/dbraw/zinc/48/92/42/949489242.db2.gz UURPUTWWAYUSBC-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574723713 949858557 /nfs/dbraw/zinc/85/85/57/949858557.db2.gz BZGTYNBZBCDNLT-ZDUSSCGKSA-N 2 1 377.468 1.283 20 0 GDADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575285980 949961511 /nfs/dbraw/zinc/96/15/11/949961511.db2.gz RYMZRWMPTADQDQ-ZDUSSCGKSA-N 2 1 389.479 1.283 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574151270 950064230 /nfs/dbraw/zinc/06/42/30/950064230.db2.gz OLLDXSLLHCMXFZ-DZGCQCFKSA-N 2 1 391.545 1.643 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574151271 950064380 /nfs/dbraw/zinc/06/43/80/950064380.db2.gz OLLDXSLLHCMXFZ-HIFRSBDPSA-N 2 1 391.545 1.643 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576194505 950349036 /nfs/dbraw/zinc/34/90/36/950349036.db2.gz ZMNCXWLZUWWNAS-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576196218 950354665 /nfs/dbraw/zinc/35/46/65/950354665.db2.gz AXKQQPBDBVVEMM-HZPDHXFCSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576197431 950393098 /nfs/dbraw/zinc/39/30/98/950393098.db2.gz NMZGTPRBMTYYPE-KGLIPLIRSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576205398 950510887 /nfs/dbraw/zinc/51/08/87/950510887.db2.gz IKOMRKFAHGWLET-QWHCGFSZSA-N 2 1 377.518 1.254 20 0 GDADMP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574521234 950772006 /nfs/dbraw/zinc/77/20/06/950772006.db2.gz DJXFCPFULCPCHN-LSDHHAIUSA-N 2 1 385.516 1.724 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574521441 950779898 /nfs/dbraw/zinc/77/98/98/950779898.db2.gz GFDCJYGXHCVHST-ZIAGYGMSSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001574771826 950942828 /nfs/dbraw/zinc/94/28/28/950942828.db2.gz KWGIGUFJQFPHCZ-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574771826 950942843 /nfs/dbraw/zinc/94/28/43/950942843.db2.gz KWGIGUFJQFPHCZ-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574771826 950942857 /nfs/dbraw/zinc/94/28/57/950942857.db2.gz KWGIGUFJQFPHCZ-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575077398 951667841 /nfs/dbraw/zinc/66/78/41/951667841.db2.gz CJEVLRJCSBNNQC-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089112 951746203 /nfs/dbraw/zinc/74/62/03/951746203.db2.gz DMEDKNVHJQQPSS-UONOGXRCSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091078 951768129 /nfs/dbraw/zinc/76/81/29/951768129.db2.gz NOPQNMOFHFXVEH-OAHLLOKOSA-N 2 1 387.532 1.687 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575100648 951847369 /nfs/dbraw/zinc/84/73/69/951847369.db2.gz VDHCNHYRJJLNGY-QWHCGFSZSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575101919 951864139 /nfs/dbraw/zinc/86/41/39/951864139.db2.gz KAACFCRTXKULGC-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102027 951865474 /nfs/dbraw/zinc/86/54/74/951865474.db2.gz KSJSKAUDSUAGTK-ZIAGYGMSSA-N 2 1 389.479 1.190 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119944 952497786 /nfs/dbraw/zinc/49/77/86/952497786.db2.gz HKWIPRYKEAPZPO-GXTWGEPZSA-N 2 1 375.502 1.103 20 0 GDADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571234986 953208071 /nfs/dbraw/zinc/20/80/71/953208071.db2.gz OSTNOWNYVLJQOA-RDTXWAMCSA-N 2 1 383.500 1.288 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001571252691 953332149 /nfs/dbraw/zinc/33/21/49/953332149.db2.gz UCSXUHJPNJJWAD-LSDHHAIUSA-N 2 1 384.488 1.173 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001571252691 953332152 /nfs/dbraw/zinc/33/21/52/953332152.db2.gz UCSXUHJPNJJWAD-LSDHHAIUSA-N 2 1 384.488 1.173 20 0 GDADMP CC[NH2+][C@H](C)CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415788849 531532129 /nfs/dbraw/zinc/53/21/29/531532129.db2.gz NDMDAPITZPXIBK-GFCCVEGCSA-N 2 1 399.337 1.715 20 0 GDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1ccccc1Br ZINC000295256069 531550713 /nfs/dbraw/zinc/55/07/13/531550713.db2.gz GGSBSHKUVBTUEQ-MRXNPFEDSA-N 2 1 384.318 1.578 20 0 GDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1ccccc1Br ZINC000295256069 531550718 /nfs/dbraw/zinc/55/07/18/531550718.db2.gz GGSBSHKUVBTUEQ-MRXNPFEDSA-N 2 1 384.318 1.578 20 0 GDADMP CN(CCC[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1)CC[NH+](C)C ZINC000639185849 531684444 /nfs/dbraw/zinc/68/44/44/531684444.db2.gz FKXRJYBATULYGD-UHFFFAOYSA-N 2 1 376.954 1.303 20 0 GDADMP [NH3+][C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000662710799 531694208 /nfs/dbraw/zinc/69/42/08/531694208.db2.gz ZFGPHPKAYQXWSE-BBRMVZONSA-N 2 1 382.302 1.818 20 0 GDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC12CCOCC2 ZINC000662570171 531689706 /nfs/dbraw/zinc/68/97/06/531689706.db2.gz HIRHFAAPQHQJEY-DOMZBBRYSA-N 2 1 382.302 1.663 20 0 GDADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641223230 531789120 /nfs/dbraw/zinc/78/91/20/531789120.db2.gz QTQQNRCIYFBEBS-GOEBONIOSA-N 2 1 382.306 1.790 20 0 GDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595950370 531895988 /nfs/dbraw/zinc/89/59/88/531895988.db2.gz KZQULNJFHXUFRR-APPZFPTMSA-N 2 1 391.278 1.684 20 0 GDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000600729431 532052532 /nfs/dbraw/zinc/05/25/32/532052532.db2.gz GSRNTUNRLHRTJS-UHFFFAOYSA-N 2 1 391.253 1.398 20 0 GDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000600729431 532052537 /nfs/dbraw/zinc/05/25/37/532052537.db2.gz GSRNTUNRLHRTJS-UHFFFAOYSA-N 2 1 391.253 1.398 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634705395 532055603 /nfs/dbraw/zinc/05/56/03/532055603.db2.gz ZZHKVTMFULJFPP-HNNXBMFYSA-N 2 1 390.311 1.487 20 0 GDADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736402158 598712247 /nfs/dbraw/zinc/71/22/47/598712247.db2.gz LRQQQYMCSPJROU-GJZGRUSLSA-N 2 1 387.536 1.595 20 0 GDADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736402158 598712249 /nfs/dbraw/zinc/71/22/49/598712249.db2.gz LRQQQYMCSPJROU-GJZGRUSLSA-N 2 1 387.536 1.595 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821268324 606540182 /nfs/dbraw/zinc/54/01/82/606540182.db2.gz UXJSYEBQYZJLSC-AWEZNQCLSA-N 2 1 377.518 1.416 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000822505596 607172304 /nfs/dbraw/zinc/17/23/04/607172304.db2.gz OEAYICZHDGJRMW-MSOLQXFVSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000822505596 607172305 /nfs/dbraw/zinc/17/23/05/607172305.db2.gz OEAYICZHDGJRMW-MSOLQXFVSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000822505596 607172306 /nfs/dbraw/zinc/17/23/06/607172306.db2.gz OEAYICZHDGJRMW-MSOLQXFVSA-N 2 1 393.499 1.807 20 0 GDADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577134 609141006 /nfs/dbraw/zinc/14/10/06/609141006.db2.gz GXXHNBCKWRONTO-CQSZACIVSA-N 2 1 375.496 1.930 20 0 GDADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361357 609337538 /nfs/dbraw/zinc/33/75/38/609337538.db2.gz UKDHWJAXMININO-QZTJIDSGSA-N 2 1 378.484 1.984 20 0 GDADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361357 609337539 /nfs/dbraw/zinc/33/75/39/609337539.db2.gz UKDHWJAXMININO-QZTJIDSGSA-N 2 1 378.484 1.984 20 0 GDADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2Br)CC1 ZINC000545192005 650451103 /nfs/dbraw/zinc/45/11/03/650451103.db2.gz SEXLMTOAIONVGP-OAHLLOKOSA-N 2 1 387.318 1.889 20 0 GDADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351557 645941578 /nfs/dbraw/zinc/94/15/78/645941578.db2.gz XHDNOPQWIOTUCE-BBRMVZONSA-N 2 1 381.318 1.756 20 0 GDADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351557 645941579 /nfs/dbraw/zinc/94/15/79/645941579.db2.gz XHDNOPQWIOTUCE-BBRMVZONSA-N 2 1 381.318 1.756 20 0 GDADMP C[C@@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)C[C@H](C)[NH2+]1 ZINC000595925299 652427675 /nfs/dbraw/zinc/42/76/75/652427675.db2.gz XTYCLMVKKCMLTQ-OCAPTIKFSA-N 2 1 391.278 1.778 20 0 GDADMP C[C@H]1C[C@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)CC[NH2+]1 ZINC000595951890 652429122 /nfs/dbraw/zinc/42/91/22/652429122.db2.gz VCPHVIFMETXLPA-JGVFFNPUSA-N 2 1 391.278 1.826 20 0 GDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC[C@H]1CCOC1 ZINC000645508638 653603439 /nfs/dbraw/zinc/60/34/39/653603439.db2.gz XMJCYYGJLCTVSY-ZWKOTPCHSA-N 2 1 375.579 1.481 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC[C@H]1CCOC1 ZINC000645508638 653603440 /nfs/dbraw/zinc/60/34/40/653603440.db2.gz XMJCYYGJLCTVSY-ZWKOTPCHSA-N 2 1 375.579 1.481 20 0 GDADMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000664248465 654370632 /nfs/dbraw/zinc/37/06/32/654370632.db2.gz XSBNLOWVTBAGOX-UHFFFAOYSA-N 2 1 382.452 1.648 20 0 GDADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000664248465 654370636 /nfs/dbraw/zinc/37/06/36/654370636.db2.gz XSBNLOWVTBAGOX-UHFFFAOYSA-N 2 1 382.452 1.648 20 0 GDADMP O=S(=O)(NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1Cl ZINC000669851966 654511730 /nfs/dbraw/zinc/51/17/30/654511730.db2.gz FAXPRBALYHRZGC-KBPBESRZSA-N 2 1 375.897 1.974 20 0 GDADMP O=S(=O)(NCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1Cl ZINC000669851966 654511734 /nfs/dbraw/zinc/51/17/34/654511734.db2.gz FAXPRBALYHRZGC-KBPBESRZSA-N 2 1 375.897 1.974 20 0 GDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819004294 655383011 /nfs/dbraw/zinc/38/30/11/655383011.db2.gz NCCSFYZCDJKYAO-XJKSGUPXSA-N 2 1 384.318 1.660 20 0 GDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2nc(Br)c[nH]2)cc1 ZINC000921758326 656406408 /nfs/dbraw/zinc/40/64/08/656406408.db2.gz DBTNXPDEGXTYQG-UHFFFAOYSA-N 2 1 380.290 1.753 20 0 GDADMP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1C[NH3+] ZINC000923497721 656556172 /nfs/dbraw/zinc/55/61/72/656556172.db2.gz CXJJRUUCAMKASX-OLZOCXBDSA-N 2 1 397.317 1.421 20 0 GDADMP C[C@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1C[NH3+] ZINC000923497723 656556788 /nfs/dbraw/zinc/55/67/88/656556788.db2.gz CXJJRUUCAMKASX-STQMWFEESA-N 2 1 397.317 1.421 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nn2c(c1Br)CCC2 ZINC000898584607 658940593 /nfs/dbraw/zinc/94/05/93/658940593.db2.gz HFZNPNDSSPLQIB-LBPRGKRZSA-N 2 1 386.338 1.594 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nn2c(c1Br)CCC2 ZINC000898584607 658940594 /nfs/dbraw/zinc/94/05/94/658940594.db2.gz HFZNPNDSSPLQIB-LBPRGKRZSA-N 2 1 386.338 1.594 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCC2([NH3+])CC2)CC1 ZINC000904495951 659402938 /nfs/dbraw/zinc/40/29/38/659402938.db2.gz ZDMFGBLUDXKZTQ-UHFFFAOYSA-N 2 1 383.294 1.209 20 0 GDADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164714314 720117659 /nfs/dbraw/zinc/11/76/59/720117659.db2.gz BXRRSOLOUPPEDK-LJQANCHMSA-N 2 1 394.523 1.982 20 0 GDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001164812406 720149062 /nfs/dbraw/zinc/14/90/62/720149062.db2.gz AKCXGETYBIHSPO-KNQAVFIVSA-N 2 1 385.556 1.676 20 0 GDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3CC[NH2+]CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841696 720507758 /nfs/dbraw/zinc/50/77/58/720507758.db2.gz ZPBSUYQHBANQMO-BBTUJRGHSA-N 2 1 395.555 1.739 20 0 GDADMP C[NH+]1CCN(c2nccc(N([C@@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)n2)CC1 ZINC001164734417 720547251 /nfs/dbraw/zinc/54/72/51/720547251.db2.gz IDIUXGBJSQTISK-KRWDZBQOSA-N 2 1 388.560 1.744 20 0 GDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164742090 720816868 /nfs/dbraw/zinc/81/68/68/720816868.db2.gz PTCRASUOCGQBKZ-IMFGXOCKSA-N 2 1 394.527 1.093 20 0 GDADMP CCOc1cc[nH+]c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001164868934 721272067 /nfs/dbraw/zinc/27/20/67/721272067.db2.gz GKVBLABYBBFLIV-UHFFFAOYSA-N 2 1 376.501 1.487 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282781 945863430 /nfs/dbraw/zinc/86/34/30/945863430.db2.gz QVGJJULCAXDHFU-HUUCEWRRSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282781 945863436 /nfs/dbraw/zinc/86/34/36/945863436.db2.gz QVGJJULCAXDHFU-HUUCEWRRSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282781 945863445 /nfs/dbraw/zinc/86/34/45/945863445.db2.gz QVGJJULCAXDHFU-HUUCEWRRSA-N 2 1 387.463 1.038 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823689859 946467335 /nfs/dbraw/zinc/46/73/35/946467335.db2.gz JWEAQOUTZOHWFO-WMZOPIPTSA-N 2 1 386.500 1.414 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823689859 946467343 /nfs/dbraw/zinc/46/73/43/946467343.db2.gz JWEAQOUTZOHWFO-WMZOPIPTSA-N 2 1 386.500 1.414 20 0 GDADMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574918531 948850576 /nfs/dbraw/zinc/85/05/76/948850576.db2.gz MTQSNQNVGVARLD-INIZCTEOSA-N 2 1 385.516 1.679 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574926863 949024643 /nfs/dbraw/zinc/02/46/43/949024643.db2.gz ZAOGSIBNKCIQDE-ZDUSSCGKSA-N 2 1 375.452 1.038 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574708259 949488314 /nfs/dbraw/zinc/48/83/14/949488314.db2.gz UURPUTWWAYUSBC-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574715444 949651019 /nfs/dbraw/zinc/65/10/19/949651019.db2.gz CPKCUPONUMTGMW-QAPCUYQASA-N 2 1 385.516 1.678 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574962576 949737408 /nfs/dbraw/zinc/73/74/08/949737408.db2.gz CAMLSVYYGCYEHF-MJBXVCDLSA-N 2 1 391.545 1.595 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574962576 949737437 /nfs/dbraw/zinc/73/74/37/949737437.db2.gz CAMLSVYYGCYEHF-MJBXVCDLSA-N 2 1 391.545 1.595 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574962576 949737450 /nfs/dbraw/zinc/73/74/50/949737450.db2.gz CAMLSVYYGCYEHF-MJBXVCDLSA-N 2 1 391.545 1.595 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574962576 949737473 /nfs/dbraw/zinc/73/74/73/949737473.db2.gz CAMLSVYYGCYEHF-MJBXVCDLSA-N 2 1 391.545 1.595 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574962575 949738903 /nfs/dbraw/zinc/73/89/03/949738903.db2.gz CAMLSVYYGCYEHF-IHRRRGAJSA-N 2 1 391.545 1.595 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574962575 949738915 /nfs/dbraw/zinc/73/89/15/949738915.db2.gz CAMLSVYYGCYEHF-IHRRRGAJSA-N 2 1 391.545 1.595 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574962575 949738928 /nfs/dbraw/zinc/73/89/28/949738928.db2.gz CAMLSVYYGCYEHF-IHRRRGAJSA-N 2 1 391.545 1.595 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574962575 949738943 /nfs/dbraw/zinc/73/89/43/949738943.db2.gz CAMLSVYYGCYEHF-IHRRRGAJSA-N 2 1 391.545 1.595 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574740260 950226238 /nfs/dbraw/zinc/22/62/38/950226238.db2.gz CYUYQZWTSFCYLO-JYJNAYRXSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576193325 950293132 /nfs/dbraw/zinc/29/31/32/950293132.db2.gz SUROZGOCXLZTQY-CHWSQXEVSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576206525 950572146 /nfs/dbraw/zinc/57/21/46/950572146.db2.gz XGYAORGIJFFLPM-KGLIPLIRSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576207854 950600534 /nfs/dbraw/zinc/60/05/34/950600534.db2.gz KIHWPGYROSAHEO-OAHLLOKOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576207854 950600547 /nfs/dbraw/zinc/60/05/47/950600547.db2.gz KIHWPGYROSAHEO-OAHLLOKOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576207854 950600561 /nfs/dbraw/zinc/60/05/61/950600561.db2.gz KIHWPGYROSAHEO-OAHLLOKOSA-N 2 1 383.500 1.289 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574524532 950864110 /nfs/dbraw/zinc/86/41/10/950864110.db2.gz XZCFIYRXZXKGNP-KBPBESRZSA-N 2 1 391.495 1.719 20 0 GDADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001574774862 951007909 /nfs/dbraw/zinc/00/79/09/951007909.db2.gz FLOHQYBFYPAIDN-CXAGYDPISA-N 2 1 391.495 1.529 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091077 951768607 /nfs/dbraw/zinc/76/86/07/951768607.db2.gz NOPQNMOFHFXVEH-HNNXBMFYSA-N 2 1 387.532 1.687 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102026 951866263 /nfs/dbraw/zinc/86/62/63/951866263.db2.gz KSJSKAUDSUAGTK-UONOGXRCSA-N 2 1 389.479 1.190 20 0 GDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115128 951962151 /nfs/dbraw/zinc/96/21/51/951962151.db2.gz UXDFTZRMYZKHQO-YJBOKZPZSA-N 2 1 385.516 1.581 20 0 GDADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571234158 953199364 /nfs/dbraw/zinc/19/93/64/953199364.db2.gz OHOHINFHLGEENL-MRXNPFEDSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234327 953201688 /nfs/dbraw/zinc/20/16/88/953201688.db2.gz UKPUZFSMGCDLCH-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234327 953201691 /nfs/dbraw/zinc/20/16/91/953201691.db2.gz UKPUZFSMGCDLCH-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234327 953201692 /nfs/dbraw/zinc/20/16/92/953201692.db2.gz UKPUZFSMGCDLCH-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571234571 953203869 /nfs/dbraw/zinc/20/38/69/953203869.db2.gz CBRVVWTWDLHZBP-KURKYZTESA-N 2 1 383.500 1.478 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571234723 953204430 /nfs/dbraw/zinc/20/44/30/953204430.db2.gz GYVDWAWDACOJOA-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001571234840 953206149 /nfs/dbraw/zinc/20/61/49/953206149.db2.gz KCXDEGDSEGSHMP-ZWKOTPCHSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001571234840 953206152 /nfs/dbraw/zinc/20/61/52/953206152.db2.gz KCXDEGDSEGSHMP-ZWKOTPCHSA-N 2 1 383.500 1.384 20 0 GDADMP C[NH+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001571234840 953206155 /nfs/dbraw/zinc/20/61/55/953206155.db2.gz KCXDEGDSEGSHMP-ZWKOTPCHSA-N 2 1 383.500 1.384 20 0 GDADMP O=C(C[C@H]1CSCC[NH2+]1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000237863606 531051369 /nfs/dbraw/zinc/05/13/69/531051369.db2.gz KVRNJDDPRQKXEX-INIZCTEOSA-N 2 1 382.961 1.673 20 0 GDADMP C[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000294059642 531460327 /nfs/dbraw/zinc/46/03/27/531460327.db2.gz KCZWJMCVKLSYQT-SUMWQHHRSA-N 2 1 384.318 1.708 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000414670378 531461970 /nfs/dbraw/zinc/46/19/70/531461970.db2.gz DCVCSYOVOAZQQY-ZDUSSCGKSA-N 2 1 386.327 1.708 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000415671800 531512244 /nfs/dbraw/zinc/51/22/44/531512244.db2.gz JXLXORXGNWKWEJ-BETUJISGSA-N 2 1 395.301 1.127 20 0 GDADMP C[N@@H+]1CC[C@H](CC(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000636001165 531530378 /nfs/dbraw/zinc/53/03/78/531530378.db2.gz WLGQMFPADUPXIZ-CYBMUJFWSA-N 2 1 396.333 1.876 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000636001165 531530381 /nfs/dbraw/zinc/53/03/81/531530381.db2.gz WLGQMFPADUPXIZ-CYBMUJFWSA-N 2 1 396.333 1.876 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415826200 531537797 /nfs/dbraw/zinc/53/77/97/531537797.db2.gz AURHLNYXQBAFOE-DGCLKSJQSA-N 2 1 397.317 1.693 20 0 GDADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)C2)nn1 ZINC000662573510 531690344 /nfs/dbraw/zinc/69/03/44/531690344.db2.gz GFFOEHUAUDEGPZ-DOMZBBRYSA-N 2 1 393.289 1.363 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1cc(OC)ns1 ZINC000641311688 531802748 /nfs/dbraw/zinc/80/27/48/531802748.db2.gz QMGWTZWFLGRZEB-AWEZNQCLSA-N 2 1 390.575 1.329 20 0 GDADMP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595960003 531897133 /nfs/dbraw/zinc/89/71/33/531897133.db2.gz RMXGCECISMEATF-HTQZYQBOSA-N 2 1 391.278 1.908 20 0 GDADMP CN(CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)S(=O)(=O)c1cccs1 ZINC000655734172 531974942 /nfs/dbraw/zinc/97/49/42/531974942.db2.gz BFRIYPAVNRLBBV-INIZCTEOSA-N 2 1 387.571 1.602 20 0 GDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000428236513 532201068 /nfs/dbraw/zinc/20/10/68/532201068.db2.gz KAXCKQUTKPJERF-ZBFHGGJFSA-N 2 1 386.334 1.826 20 0 GDADMP C[NH+]1CCC(O)(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000289438739 532324505 /nfs/dbraw/zinc/32/45/05/532324505.db2.gz FRWQDMNFXISDRV-UHFFFAOYSA-N 2 1 380.290 1.576 20 0 GDADMP C[N@@H+](CCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Cc1ccccc1 ZINC000736799458 598518969 /nfs/dbraw/zinc/51/89/69/598518969.db2.gz FENVHFGKRUTZGT-MRXNPFEDSA-N 2 1 381.488 1.217 20 0 GDADMP CC[NH+](CC)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)CC(C)C ZINC000736534107 598521856 /nfs/dbraw/zinc/52/18/56/598521856.db2.gz LWRBBQYWICCGNW-LSDHHAIUSA-N 2 1 375.525 1.451 20 0 GDADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736759149 598749211 /nfs/dbraw/zinc/74/92/11/598749211.db2.gz OGRNUWIUOXHCEO-UHFFFAOYSA-N 2 1 377.880 1.732 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825849223 607525638 /nfs/dbraw/zinc/52/56/38/607525638.db2.gz IPEJFACQPSMSFJ-SQNIBIBYSA-N 2 1 399.499 1.379 20 0 GDADMP CN(CC[N@@H+](C)CCCOc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](C)CC1 ZINC000826023219 608416675 /nfs/dbraw/zinc/41/66/75/608416675.db2.gz YZFMGZFUDPVFNR-UHFFFAOYSA-N 2 1 387.532 1.593 20 0 GDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000540140318 650350249 /nfs/dbraw/zinc/35/02/49/650350249.db2.gz MKUHSXFKNNTNBE-FUHWJXTLSA-N 2 1 375.579 1.385 20 0 GDADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c2cccs2)CC1 ZINC000552072217 650618798 /nfs/dbraw/zinc/61/87/98/650618798.db2.gz LSZAPXLFQHOZGJ-IXDOHACOSA-N 2 1 385.599 1.982 20 0 GDADMP O[C@H](CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1ccc(Br)cc1 ZINC000320755595 645253819 /nfs/dbraw/zinc/25/38/19/645253819.db2.gz IVKZSDHFWFHIAE-INMHGKMJSA-N 2 1 385.302 1.642 20 0 GDADMP O[C@H](CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1)COc1ccc(Br)cc1 ZINC000320755595 645253822 /nfs/dbraw/zinc/25/38/22/645253822.db2.gz IVKZSDHFWFHIAE-INMHGKMJSA-N 2 1 385.302 1.642 20 0 GDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000423100529 646113873 /nfs/dbraw/zinc/11/38/73/646113873.db2.gz GZWZNVLTAGTRHV-JSGCOSHPSA-N 2 1 390.347 1.705 20 0 GDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000501106261 648129519 /nfs/dbraw/zinc/12/95/19/648129519.db2.gz ODEKGNAJWVTPKF-UHFFFAOYSA-N 2 1 399.329 1.987 20 0 GDADMP C[C@H]1C[C@@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)CC[NH2+]1 ZINC000595951892 652429522 /nfs/dbraw/zinc/42/95/22/652429522.db2.gz VCPHVIFMETXLPA-YUMQZZPRSA-N 2 1 391.278 1.826 20 0 GDADMP C[S@@](=O)C1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH2+]CC1 ZINC000602469579 652638406 /nfs/dbraw/zinc/63/84/06/652638406.db2.gz URFHKICSWMDDEI-ODCWNRFASA-N 2 1 383.583 1.577 20 0 GDADMP O=C(c1sc2c(c1I)C[NH2+]C2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593271 652642305 /nfs/dbraw/zinc/64/23/05/652642305.db2.gz YQBOPOGRRMPMAB-OCAPTIKFSA-N 2 1 389.262 1.532 20 0 GDADMP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000631910028 653267046 /nfs/dbraw/zinc/26/70/46/653267046.db2.gz VFHLGUDQPNKITN-PBHICJAKSA-N 2 1 387.933 1.385 20 0 GDADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000631922606 653271388 /nfs/dbraw/zinc/27/13/88/653271388.db2.gz AHHNFUDGWNXPGU-WMLDXEAASA-N 2 1 386.587 1.649 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000750855451 654862740 /nfs/dbraw/zinc/86/27/40/654862740.db2.gz GAZRCYWRLDXXPA-AWEZNQCLSA-N 2 1 391.969 1.419 20 0 GDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819004258 655383054 /nfs/dbraw/zinc/38/30/54/655383054.db2.gz LXXQVAMMKKHZPD-GDBMZVCRSA-N 2 1 384.318 1.660 20 0 GDADMP COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc1Br ZINC000855347079 655692414 /nfs/dbraw/zinc/69/24/14/655692414.db2.gz SFKGTAJLBSKGKU-LBPRGKRZSA-N 2 1 387.322 1.855 20 0 GDADMP COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc1Br ZINC000855347079 655692415 /nfs/dbraw/zinc/69/24/15/655692415.db2.gz SFKGTAJLBSKGKU-LBPRGKRZSA-N 2 1 387.322 1.855 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](CCOc2ccccc2Br)C1 ZINC000866711038 655955933 /nfs/dbraw/zinc/95/59/33/655955933.db2.gz ABKXQXATLLVYGV-XPKDYRNWSA-N 2 1 396.285 1.695 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](CCOc2ccccc2Br)C1 ZINC000866711038 655955934 /nfs/dbraw/zinc/95/59/34/655955934.db2.gz ABKXQXATLLVYGV-XPKDYRNWSA-N 2 1 396.285 1.695 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000923280659 656542269 /nfs/dbraw/zinc/54/22/69/656542269.db2.gz IKRIJZFQFKSZQZ-JSGCOSHPSA-N 2 1 390.311 1.520 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ncc(Br)s1 ZINC000875713825 656555685 /nfs/dbraw/zinc/55/56/85/656555685.db2.gz PUTFOHVIRZFQMF-NSHDSACASA-N 2 1 392.367 1.977 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ncc(Br)s1 ZINC000875713825 656555690 /nfs/dbraw/zinc/55/56/90/656555690.db2.gz PUTFOHVIRZFQMF-NSHDSACASA-N 2 1 392.367 1.977 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1)[NH+]1CC[C@H]2CSC[C@@H]2C1 ZINC000931551095 657106694 /nfs/dbraw/zinc/10/66/94/657106694.db2.gz VKSRICTUSGNUHE-ZBRFXRBCSA-N 2 1 383.627 1.861 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H]2CSC[C@@H]2C1)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000931551095 657106696 /nfs/dbraw/zinc/10/66/96/657106696.db2.gz VKSRICTUSGNUHE-ZBRFXRBCSA-N 2 1 383.627 1.861 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H]2CSC[C@@H]2C1)[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000931551095 657106701 /nfs/dbraw/zinc/10/67/01/657106701.db2.gz VKSRICTUSGNUHE-ZBRFXRBCSA-N 2 1 383.627 1.861 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(C)nc1Br ZINC000896041784 658746387 /nfs/dbraw/zinc/74/63/87/658746387.db2.gz ARFRPRLTPBFTAC-CYBMUJFWSA-N 2 1 386.338 1.671 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1Br ZINC000906742138 659578855 /nfs/dbraw/zinc/57/88/55/659578855.db2.gz QKXWREXNIIHYES-MJHDQNEOSA-N 2 1 383.290 1.303 20 0 GDADMP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]([NH3+])c1ccccc1I ZINC000911869195 660019868 /nfs/dbraw/zinc/01/98/68/660019868.db2.gz ZKDQWSJQLZBZPY-LBPRGKRZSA-N 2 1 375.254 1.734 20 0 GDADMP CCOC(=O)c1cnc(OC)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683519 719619253 /nfs/dbraw/zinc/61/92/53/719619253.db2.gz SQNFWLDHJWPOOE-UHFFFAOYSA-N 2 1 388.472 1.334 20 0 GDADMP CCOC(=O)c1cnc(OC)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683519 719619255 /nfs/dbraw/zinc/61/92/55/719619255.db2.gz SQNFWLDHJWPOOE-UHFFFAOYSA-N 2 1 388.472 1.334 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(S(=O)(=O)N(C)C)cn2)c2c1CC[NH2+]C2 ZINC001164679753 719639103 /nfs/dbraw/zinc/63/91/03/719639103.db2.gz LTIMTWIEZBYKJI-UHFFFAOYSA-N 2 1 392.529 1.004 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(S(=O)(=O)N(C)C)cn2)c2c1CC[NH2+]C2 ZINC001164679753 719639111 /nfs/dbraw/zinc/63/91/11/719639111.db2.gz LTIMTWIEZBYKJI-UHFFFAOYSA-N 2 1 392.529 1.004 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2ccnc(-n3ccccc3=O)n2)c2c1CC[NH2+]C2 ZINC001164679495 719642610 /nfs/dbraw/zinc/64/26/10/719642610.db2.gz CQSFAZLCVOFNQH-UHFFFAOYSA-N 2 1 379.468 1.299 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2ccnc(-n3ccccc3=O)n2)c2c1CC[NH2+]C2 ZINC001164679495 719642613 /nfs/dbraw/zinc/64/26/13/719642613.db2.gz CQSFAZLCVOFNQH-UHFFFAOYSA-N 2 1 379.468 1.299 20 0 GDADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164715536 720108645 /nfs/dbraw/zinc/10/86/45/720108645.db2.gz HMVTWELPIPVXHQ-GOSISDBHSA-N 2 1 394.523 1.982 20 0 GDADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164715536 720108659 /nfs/dbraw/zinc/10/86/59/720108659.db2.gz HMVTWELPIPVXHQ-GOSISDBHSA-N 2 1 394.523 1.982 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822627 720301255 /nfs/dbraw/zinc/30/12/55/720301255.db2.gz NSDGHGJWEJYPJM-ROUUACIJSA-N 2 1 382.512 1.880 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)CC1 ZINC001164735092 720462560 /nfs/dbraw/zinc/46/25/60/720462560.db2.gz VYBFWLKMANHNMR-RTBURBONSA-N 2 1 379.512 1.477 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164735092 720462568 /nfs/dbraw/zinc/46/25/68/720462568.db2.gz VYBFWLKMANHNMR-RTBURBONSA-N 2 1 379.512 1.477 20 0 GDADMP Clc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164744758 720748218 /nfs/dbraw/zinc/74/82/18/720748218.db2.gz SKFFGVUMCCQPRF-KBPBESRZSA-N 2 1 386.887 1.513 20 0 GDADMP Cc1[nH+]c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cc2[nH]ccc21 ZINC001164875506 721282687 /nfs/dbraw/zinc/28/26/87/721282687.db2.gz WPPRXFBNESFAMZ-UHFFFAOYSA-N 2 1 385.512 1.878 20 0 GDADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164894072 721388925 /nfs/dbraw/zinc/38/89/25/721388925.db2.gz XEALEZJJZGANTF-SIKLNZKXSA-N 2 1 385.556 1.493 20 0 GDADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@H+]3C2)c1 ZINC001164899166 721510412 /nfs/dbraw/zinc/51/04/12/721510412.db2.gz KPIYWRIOWOAXGZ-FUHWJXTLSA-N 2 1 383.471 1.646 20 0 GDADMP O=C1COc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2N1 ZINC001164983631 722120318 /nfs/dbraw/zinc/12/03/18/722120318.db2.gz YRXVXPOGCMUIMK-AEFFLSMTSA-N 2 1 395.463 1.535 20 0 GDADMP O=C1COc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2N1 ZINC001164983631 722120321 /nfs/dbraw/zinc/12/03/21/722120321.db2.gz YRXVXPOGCMUIMK-AEFFLSMTSA-N 2 1 395.463 1.535 20 0 GDADMP Cn1ccc2c1cc[nH+]c2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996493 722230994 /nfs/dbraw/zinc/23/09/94/722230994.db2.gz IGGXCUOZPVHESG-UHFFFAOYSA-N 2 1 377.496 1.720 20 0 GDADMP C[C@H](CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@@H+](C)Cc1ccccc1 ZINC000820241130 945392371 /nfs/dbraw/zinc/39/23/71/945392371.db2.gz DSSVSYUTTHDFPV-WBVHZDCISA-N 2 1 395.515 1.605 20 0 GDADMP C[C@@H](CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@@H+](C)Cc1ccccc1 ZINC000820241127 945392557 /nfs/dbraw/zinc/39/25/57/945392557.db2.gz DSSVSYUTTHDFPV-DOTOQJQBSA-N 2 1 395.515 1.605 20 0 GDADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001571265522 945514922 /nfs/dbraw/zinc/51/49/22/945514922.db2.gz LFGFLIQEVNWLTP-ZWKOTPCHSA-N 2 1 385.516 1.630 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571281597 945806829 /nfs/dbraw/zinc/80/68/29/945806829.db2.gz JPIAIYAHGNEKAZ-CXAGYDPISA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571281597 945806840 /nfs/dbraw/zinc/80/68/40/945806840.db2.gz JPIAIYAHGNEKAZ-CXAGYDPISA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571281597 945806850 /nfs/dbraw/zinc/80/68/50/945806850.db2.gz JPIAIYAHGNEKAZ-CXAGYDPISA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282761 945860795 /nfs/dbraw/zinc/86/07/95/945860795.db2.gz QBXPEXSETWSKLM-VBQJREDUSA-N 2 1 387.463 1.227 20 0 GDADMP OCC[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOC1 ZINC000826508934 948428743 /nfs/dbraw/zinc/42/87/43/948428743.db2.gz GNRGZESKMNUCDS-FQEVSTJZSA-N 2 1 386.500 1.210 20 0 GDADMP CC(C)(C(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573780276 949085838 /nfs/dbraw/zinc/08/58/38/949085838.db2.gz UZIVLIISGAQPIE-AWEZNQCLSA-N 2 1 384.488 1.221 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574706823 949461690 /nfs/dbraw/zinc/46/16/90/949461690.db2.gz MYFBZTYYDXHNGV-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575875924 949638058 /nfs/dbraw/zinc/63/80/58/949638058.db2.gz WLTUWYAFXBNWAZ-CJNGLKHVSA-N 2 1 384.488 1.077 20 0 GDADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575877205 949656612 /nfs/dbraw/zinc/65/66/12/949656612.db2.gz LBARLXZONMRCDM-CRAIPNDOSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575879762 949693385 /nfs/dbraw/zinc/69/33/85/949693385.db2.gz RKNBEGKOEJVNNX-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575879762 949693394 /nfs/dbraw/zinc/69/33/94/949693394.db2.gz RKNBEGKOEJVNNX-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574723638 949851289 /nfs/dbraw/zinc/85/12/89/949851289.db2.gz AFNMRTONOZEKTC-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192679 950261491 /nfs/dbraw/zinc/26/14/91/950261491.db2.gz OSROJAQQLLCLQA-CRAIPNDOSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192679 950261511 /nfs/dbraw/zinc/26/15/11/950261511.db2.gz OSROJAQQLLCLQA-CRAIPNDOSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576192679 950261530 /nfs/dbraw/zinc/26/15/30/950261530.db2.gz OSROJAQQLLCLQA-CRAIPNDOSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576202875 950439416 /nfs/dbraw/zinc/43/94/16/950439416.db2.gz DMENVXIERGABTQ-MRXNPFEDSA-N 2 1 385.516 1.535 20 0 GDADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576205264 950507336 /nfs/dbraw/zinc/50/73/36/950507336.db2.gz ICHFISSABDLVHN-QAPCUYQASA-N 2 1 385.516 1.439 20 0 GDADMP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205339 950514001 /nfs/dbraw/zinc/51/40/01/950514001.db2.gz XOGKECVLCVSBDW-HUUCEWRRSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576206994 950586846 /nfs/dbraw/zinc/58/68/46/950586846.db2.gz BEZQQGGXTJTXGF-KYJSFNMBSA-N 2 1 383.500 1.193 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234988 953207467 /nfs/dbraw/zinc/20/74/67/953207467.db2.gz OTAQBHWZKJMGAB-WMZOPIPTSA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234988 953207470 /nfs/dbraw/zinc/20/74/70/953207470.db2.gz OTAQBHWZKJMGAB-WMZOPIPTSA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234988 953207472 /nfs/dbraw/zinc/20/74/72/953207472.db2.gz OTAQBHWZKJMGAB-WMZOPIPTSA-N 2 1 383.500 1.289 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001571251794 953319500 /nfs/dbraw/zinc/31/95/00/953319500.db2.gz ABJJGWDYCXNIQT-GJZGRUSLSA-N 2 1 384.488 1.031 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571251794 953319504 /nfs/dbraw/zinc/31/95/04/953319504.db2.gz ABJJGWDYCXNIQT-GJZGRUSLSA-N 2 1 384.488 1.031 20 0 GDADMP COc1cc(Br)c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000261616178 531093826 /nfs/dbraw/zinc/09/38/26/531093826.db2.gz BSEKRVNVGLJBSU-AWEZNQCLSA-N 2 1 384.318 1.946 20 0 GDADMP COc1cc(Br)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000261616178 531093829 /nfs/dbraw/zinc/09/38/29/531093829.db2.gz BSEKRVNVGLJBSU-AWEZNQCLSA-N 2 1 384.318 1.946 20 0 GDADMP Brc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc2c1OCCO2 ZINC000262149019 531109744 /nfs/dbraw/zinc/10/97/44/531109744.db2.gz QYNSGEMFLMMAJM-CQSZACIVSA-N 2 1 382.302 1.700 20 0 GDADMP Brc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc2c1OCCO2 ZINC000262149019 531109747 /nfs/dbraw/zinc/10/97/47/531109747.db2.gz QYNSGEMFLMMAJM-CQSZACIVSA-N 2 1 382.302 1.700 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](CCO)Cc2ccc(Br)s2)C1 ZINC000414756440 531462287 /nfs/dbraw/zinc/46/22/87/531462287.db2.gz QVJSWIMZTVUJIJ-GFCCVEGCSA-N 2 1 390.347 1.502 20 0 GDADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC[C@H]1[NH3+] ZINC000415440945 531485871 /nfs/dbraw/zinc/48/58/71/531485871.db2.gz MVRMYXQHUIKSMV-IAQYHMDHSA-N 2 1 397.317 1.645 20 0 GDADMP COCC[N@H+](C)CCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662384690 531676416 /nfs/dbraw/zinc/67/64/16/531676416.db2.gz TWIFVROAGVKTEF-UHFFFAOYSA-N 2 1 376.320 1.812 20 0 GDADMP COCC[N@@H+](C)CCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662384690 531676426 /nfs/dbraw/zinc/67/64/26/531676426.db2.gz TWIFVROAGVKTEF-UHFFFAOYSA-N 2 1 376.320 1.812 20 0 GDADMP CN1CC[NH+](CCCCNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662382961 531676457 /nfs/dbraw/zinc/67/64/57/531676457.db2.gz GCIPKXGFUMMBNZ-MRXNPFEDSA-N 2 1 383.334 1.593 20 0 GDADMP [NH3+][C@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccccc1Br ZINC000662407441 531677190 /nfs/dbraw/zinc/67/71/90/531677190.db2.gz BJYHXHYMACVACB-INIZCTEOSA-N 2 1 390.285 1.892 20 0 GDADMP Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639177099 531684157 /nfs/dbraw/zinc/68/41/57/531684157.db2.gz PGFDVAWSWXFXCG-LBPRGKRZSA-N 2 1 399.314 1.820 20 0 GDADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639177099 531684170 /nfs/dbraw/zinc/68/41/70/531684170.db2.gz PGFDVAWSWXFXCG-LBPRGKRZSA-N 2 1 399.314 1.820 20 0 GDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000641803811 531853685 /nfs/dbraw/zinc/85/36/85/531853685.db2.gz HWMGVWTYYVZMIQ-STQMWFEESA-N 2 1 383.290 1.219 20 0 GDADMP C[N@H+](C[C@H](O)C[NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000573359034 531981174 /nfs/dbraw/zinc/98/11/74/531981174.db2.gz WYFBVTOWWHFOMF-MRXNPFEDSA-N 2 1 384.318 1.614 20 0 GDADMP C[N@@H+](C[C@H](O)C[NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000573359034 531981183 /nfs/dbraw/zinc/98/11/83/531981183.db2.gz WYFBVTOWWHFOMF-MRXNPFEDSA-N 2 1 384.318 1.614 20 0 GDADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430647561 532255100 /nfs/dbraw/zinc/25/51/00/532255100.db2.gz YEUVXNPHAYKPJB-CHWSQXEVSA-N 2 1 397.317 1.563 20 0 GDADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736402152 598712268 /nfs/dbraw/zinc/71/22/68/598712268.db2.gz LRQQQYMCSPJROU-CABCVRRESA-N 2 1 387.536 1.595 20 0 GDADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736402152 598712270 /nfs/dbraw/zinc/71/22/70/598712270.db2.gz LRQQQYMCSPJROU-CABCVRRESA-N 2 1 387.536 1.595 20 0 GDADMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736759859 598814705 /nfs/dbraw/zinc/81/47/05/598814705.db2.gz XWKIMTBOYQMUAP-UHFFFAOYSA-N 2 1 385.516 1.633 20 0 GDADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000823706837 607152385 /nfs/dbraw/zinc/15/23/85/607152385.db2.gz PSECAHIOOLBMAF-ZWKOTPCHSA-N 2 1 396.499 1.372 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000822505598 607172289 /nfs/dbraw/zinc/17/22/89/607172289.db2.gz OEAYICZHDGJRMW-ROUUACIJSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000822505598 607172290 /nfs/dbraw/zinc/17/22/90/607172290.db2.gz OEAYICZHDGJRMW-ROUUACIJSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000822505598 607172291 /nfs/dbraw/zinc/17/22/91/607172291.db2.gz OEAYICZHDGJRMW-ROUUACIJSA-N 2 1 393.499 1.807 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1Br ZINC000467240836 647638804 /nfs/dbraw/zinc/63/88/04/647638804.db2.gz GQZIFTRLPHCWEZ-UHFFFAOYSA-N 2 1 397.317 1.660 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1Br ZINC000467240836 647638807 /nfs/dbraw/zinc/63/88/07/647638807.db2.gz GQZIFTRLPHCWEZ-UHFFFAOYSA-N 2 1 397.317 1.660 20 0 GDADMP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467248781 647639948 /nfs/dbraw/zinc/63/99/48/647639948.db2.gz MSDQDJWUNDTTOV-UHFFFAOYSA-N 2 1 399.333 1.906 20 0 GDADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467248781 647639951 /nfs/dbraw/zinc/63/99/51/647639951.db2.gz MSDQDJWUNDTTOV-UHFFFAOYSA-N 2 1 399.333 1.906 20 0 GDADMP COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(Br)c1O ZINC000470008571 647719620 /nfs/dbraw/zinc/71/96/20/647719620.db2.gz JAAMPRZKQVYTMD-GFCCVEGCSA-N 2 1 386.290 1.450 20 0 GDADMP COc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(Br)c1O ZINC000470008571 647719621 /nfs/dbraw/zinc/71/96/21/647719621.db2.gz JAAMPRZKQVYTMD-GFCCVEGCSA-N 2 1 386.290 1.450 20 0 GDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574292339 651529969 /nfs/dbraw/zinc/52/99/69/651529969.db2.gz LPRHWRAZZOWNGQ-KGLIPLIRSA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574292339 651529975 /nfs/dbraw/zinc/52/99/75/651529975.db2.gz LPRHWRAZZOWNGQ-KGLIPLIRSA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595953216 652429805 /nfs/dbraw/zinc/42/98/05/652429805.db2.gz XPOCLVAEXYUERA-HTQZYQBOSA-N 2 1 391.278 1.813 20 0 GDADMP C[N@H+]1CCC[C@H](CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000602473657 652638982 /nfs/dbraw/zinc/63/89/82/652638982.db2.gz CBWNZRDTDOCZDH-ZCBSFCEKSA-N 2 1 383.583 1.748 20 0 GDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000631835818 653257775 /nfs/dbraw/zinc/25/77/75/653257775.db2.gz YIWALSXWZVUUFK-HNNXBMFYSA-N 2 1 390.311 1.487 20 0 GDADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000632953687 653416552 /nfs/dbraw/zinc/41/65/52/653416552.db2.gz TVVBGOYZSNNGGG-WCQYABFASA-N 2 1 397.321 1.549 20 0 GDADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000632953685 653416640 /nfs/dbraw/zinc/41/66/40/653416640.db2.gz TVVBGOYZSNNGGG-AAEUAGOBSA-N 2 1 397.321 1.549 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)COc1ccc(Br)cn1 ZINC000633613741 653458208 /nfs/dbraw/zinc/45/82/08/653458208.db2.gz DWXNYEGIYZENBJ-ZDUSSCGKSA-N 2 1 387.322 1.611 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)COc1ccc(Br)cn1 ZINC000633613741 653458215 /nfs/dbraw/zinc/45/82/15/653458215.db2.gz DWXNYEGIYZENBJ-ZDUSSCGKSA-N 2 1 387.322 1.611 20 0 GDADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000642052600 653576719 /nfs/dbraw/zinc/57/67/19/653576719.db2.gz WGUMTRZELDJBSF-LLVKDONJSA-N 2 1 387.311 1.537 20 0 GDADMP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)CCO2 ZINC000646102924 653608832 /nfs/dbraw/zinc/60/88/32/653608832.db2.gz XVYXAJGDKNERGC-MRXNPFEDSA-N 2 1 399.329 1.985 20 0 GDADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)CCO2 ZINC000646102924 653608833 /nfs/dbraw/zinc/60/88/33/653608833.db2.gz XVYXAJGDKNERGC-MRXNPFEDSA-N 2 1 399.329 1.985 20 0 GDADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)nn1 ZINC000923410548 656550903 /nfs/dbraw/zinc/55/09/03/656550903.db2.gz HSGUCVMQXKCUAQ-KBPBESRZSA-N 2 1 386.283 1.730 20 0 GDADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)Nc1c(F)cc(F)cc1Br ZINC000923464917 656554097 /nfs/dbraw/zinc/55/40/97/656554097.db2.gz RVQGSPDTTVPQMB-UHFFFAOYSA-N 2 1 377.233 1.161 20 0 GDADMP C[N@@H+]1CC[C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000923636415 656579033 /nfs/dbraw/zinc/57/90/33/656579033.db2.gz XOCUDGBOEMHDEA-BBRMVZONSA-N 2 1 390.912 1.212 20 0 GDADMP C[N@H+]1CC[C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000923636415 656579035 /nfs/dbraw/zinc/57/90/35/656579035.db2.gz XOCUDGBOEMHDEA-BBRMVZONSA-N 2 1 390.912 1.212 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2C(=O)N2CCCC2)c2c1CC[NH2+]C2 ZINC001164683400 719603795 /nfs/dbraw/zinc/60/37/95/719603795.db2.gz ITUXTMQBFSUNDP-UHFFFAOYSA-N 2 1 382.512 1.989 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2C(=O)N2CCCC2)c2c1CC[NH2+]C2 ZINC001164683400 719603802 /nfs/dbraw/zinc/60/38/02/719603802.db2.gz ITUXTMQBFSUNDP-UHFFFAOYSA-N 2 1 382.512 1.989 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(C(=O)NC3CCCC3)nn2)c2c1CC[NH2+]C2 ZINC001164679734 719644693 /nfs/dbraw/zinc/64/46/93/719644693.db2.gz KXWIHSZEGQGGDZ-UHFFFAOYSA-N 2 1 397.527 1.821 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(C(=O)NC3CCCC3)nn2)c2c1CC[NH2+]C2 ZINC001164679734 719644695 /nfs/dbraw/zinc/64/46/95/719644695.db2.gz KXWIHSZEGQGGDZ-UHFFFAOYSA-N 2 1 397.527 1.821 20 0 GDADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)C2 ZINC001164810581 720130774 /nfs/dbraw/zinc/13/07/74/720130774.db2.gz KDDIDQMDIULYCI-QVKFZJNVSA-N 2 1 399.495 1.929 20 0 GDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)C2 ZINC001164810581 720130779 /nfs/dbraw/zinc/13/07/79/720130779.db2.gz KDDIDQMDIULYCI-QVKFZJNVSA-N 2 1 399.495 1.929 20 0 GDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001164812408 720148780 /nfs/dbraw/zinc/14/87/80/720148780.db2.gz AKCXGETYBIHSPO-UGKGYDQZSA-N 2 1 385.556 1.676 20 0 GDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(NC3CC3)cc[nH+]2)CC1 ZINC001164817635 720286015 /nfs/dbraw/zinc/28/60/15/720286015.db2.gz FMIYMJDLTPOSIZ-MSOLQXFVSA-N 2 1 384.528 1.962 20 0 GDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3CC[NH2+]CC4)CC[C@@H]21 ZINC001164841698 720507898 /nfs/dbraw/zinc/50/78/98/720507898.db2.gz ZPBSUYQHBANQMO-LQWHRVPQSA-N 2 1 395.555 1.739 20 0 GDADMP Cc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164738713 720623340 /nfs/dbraw/zinc/62/33/40/720623340.db2.gz DEBYRCLFZBWHAK-DLBZAZTESA-N 2 1 381.484 1.517 20 0 GDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164742093 720816961 /nfs/dbraw/zinc/81/69/61/720816961.db2.gz PTCRASUOCGQBKZ-XKGZKEIXSA-N 2 1 394.527 1.093 20 0 GDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ncc5c(n4)C[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745035 720827859 /nfs/dbraw/zinc/82/78/59/720827859.db2.gz VYACCMHCAMBLJL-VDZJLULYSA-N 2 1 380.500 1.051 20 0 GDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164741332 720837953 /nfs/dbraw/zinc/83/79/53/720837953.db2.gz FCQISMPGRQLGID-HBFSDRIKSA-N 2 1 394.527 1.093 20 0 GDADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164753650 720963190 /nfs/dbraw/zinc/96/31/90/720963190.db2.gz GZCKNFRTJFMSRO-UHFFFAOYSA-N 2 1 399.499 1.309 20 0 GDADMP c1cncc(CO[C@H]2C[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164867670 721117879 /nfs/dbraw/zinc/11/78/79/721117879.db2.gz ZNFJPIVPMNZJHZ-PMACEKPBSA-N 2 1 394.523 1.818 20 0 GDADMP C[NH+](C)Cc1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164888690 721443032 /nfs/dbraw/zinc/44/30/32/721443032.db2.gz AKMXLGDSLCMLNL-IFMALSPDSA-N 2 1 387.572 1.909 20 0 GDADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164906411 721546979 /nfs/dbraw/zinc/54/69/79/721546979.db2.gz LADHCAZYXAQAPN-PZJWPPBQSA-N 2 1 397.498 1.972 20 0 GDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3c(nn2)CC[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164807263 721566675 /nfs/dbraw/zinc/56/66/75/721566675.db2.gz SBQZIUYLYVFKON-SFHLNBCPSA-N 2 1 380.496 1.386 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3c(nn2)CC[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164807263 721566677 /nfs/dbraw/zinc/56/66/77/721566677.db2.gz SBQZIUYLYVFKON-SFHLNBCPSA-N 2 1 380.496 1.386 20 0 GDADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001571266058 945528752 /nfs/dbraw/zinc/52/87/52/945528752.db2.gz VDCFWDUESHAFBL-ZWKOTPCHSA-N 2 1 385.516 1.630 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C(C)(C)C2)C1 ZINC001571294344 946132036 /nfs/dbraw/zinc/13/20/36/946132036.db2.gz GKWUNBKUGWBUSN-DOMZBBRYSA-N 2 1 389.529 1.207 20 0 GDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295398 946161510 /nfs/dbraw/zinc/16/15/10/946161510.db2.gz RSGMKSUJXDWCNB-ZFWWWQNUSA-N 2 1 389.529 1.492 20 0 GDADMP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000826513632 948436683 /nfs/dbraw/zinc/43/66/83/948436683.db2.gz QSAVXRJFVYDNOP-FQEVSTJZSA-N 2 1 381.528 1.905 20 0 GDADMP CC(C)(C(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573780277 949084698 /nfs/dbraw/zinc/08/46/98/949084698.db2.gz UZIVLIISGAQPIE-CQSZACIVSA-N 2 1 384.488 1.221 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574704256 949379138 /nfs/dbraw/zinc/37/91/38/949379138.db2.gz BMTBYBGMUWYWQP-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574706755 949461999 /nfs/dbraw/zinc/46/19/99/949461999.db2.gz MRGLSIRQMHDVNX-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707663 949471661 /nfs/dbraw/zinc/47/16/61/949471661.db2.gz PWPORUJCUILRGZ-JSGCOSHPSA-N 2 1 377.518 1.349 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576191442 950196431 /nfs/dbraw/zinc/19/64/31/950196431.db2.gz GKVXOPBFMGOXEK-AWEZNQCLSA-N 2 1 384.488 1.031 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196456 950366641 /nfs/dbraw/zinc/36/66/41/950366641.db2.gz DZSDTVQWWZTLJN-MAUKXSAKSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196456 950366661 /nfs/dbraw/zinc/36/66/61/950366661.db2.gz DZSDTVQWWZTLJN-MAUKXSAKSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196456 950366682 /nfs/dbraw/zinc/36/66/82/950366682.db2.gz DZSDTVQWWZTLJN-MAUKXSAKSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199289 950426850 /nfs/dbraw/zinc/42/68/50/950426850.db2.gz YGIWIXZLJROFGL-KBPBESRZSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199289 950426859 /nfs/dbraw/zinc/42/68/59/950426859.db2.gz YGIWIXZLJROFGL-KBPBESRZSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199289 950426869 /nfs/dbraw/zinc/42/68/69/950426869.db2.gz YGIWIXZLJROFGL-KBPBESRZSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199289 950426880 /nfs/dbraw/zinc/42/68/80/950426880.db2.gz YGIWIXZLJROFGL-KBPBESRZSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@@H](CCC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576202817 950433807 /nfs/dbraw/zinc/43/38/07/950433807.db2.gz CDDGWYSXCWUYNT-CVEARBPZSA-N 2 1 385.516 1.583 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001576205370 950513560 /nfs/dbraw/zinc/51/35/60/950513560.db2.gz YRXOEMGHFMQUKO-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576205370 950513577 /nfs/dbraw/zinc/51/35/77/950513577.db2.gz YRXOEMGHFMQUKO-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576205370 950513594 /nfs/dbraw/zinc/51/35/94/950513594.db2.gz YRXOEMGHFMQUKO-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208712 950615594 /nfs/dbraw/zinc/61/55/94/950615594.db2.gz ULZPMTZQCCMWJC-HDMKZQKVSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576208712 950615635 /nfs/dbraw/zinc/61/56/35/950615635.db2.gz ULZPMTZQCCMWJC-HDMKZQKVSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576208712 950615676 /nfs/dbraw/zinc/61/56/76/950615676.db2.gz ULZPMTZQCCMWJC-HDMKZQKVSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077339 951666633 /nfs/dbraw/zinc/66/66/33/951666633.db2.gz FXHVBHRLCXKQFJ-ZIAGYGMSSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079910 951699543 /nfs/dbraw/zinc/69/95/43/951699543.db2.gz STYUODKUDNBUCR-UONOGXRCSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575091646 951779759 /nfs/dbraw/zinc/77/97/59/951779759.db2.gz TUMZPBIJUJNCTO-ZFWWWQNUSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101166 951856105 /nfs/dbraw/zinc/85/61/05/951856105.db2.gz AMAGIWLVLJSRKW-GUYCJALGSA-N 2 1 389.479 1.332 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571170937 952790587 /nfs/dbraw/zinc/79/05/87/952790587.db2.gz ZYSLEEQYLJQZJA-UHFFFAOYSA-N 2 1 380.456 1.151 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234544 953202892 /nfs/dbraw/zinc/20/28/92/953202892.db2.gz BGURPCCNUMNYDN-WMZOPIPTSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571234724 953205550 /nfs/dbraw/zinc/20/55/50/953205550.db2.gz GYVDWAWDACOJOA-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(I)cc2)C1 ZINC000115902507 530902627 /nfs/dbraw/zinc/90/26/27/530902627.db2.gz PROZYSZLQHULIS-CYBMUJFWSA-N 2 1 387.265 1.578 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000115902507 530902629 /nfs/dbraw/zinc/90/26/29/530902629.db2.gz PROZYSZLQHULIS-CYBMUJFWSA-N 2 1 387.265 1.578 20 0 GDADMP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000261674534 531095779 /nfs/dbraw/zinc/09/57/79/531095779.db2.gz MCDSDSBIPWOZOE-WMLDXEAASA-N 2 1 395.345 1.606 20 0 GDADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000261674534 531095782 /nfs/dbraw/zinc/09/57/82/531095782.db2.gz MCDSDSBIPWOZOE-WMLDXEAASA-N 2 1 395.345 1.606 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000262126574 531109270 /nfs/dbraw/zinc/10/92/70/531109270.db2.gz NEMXDLRYDHVOAG-LBPRGKRZSA-N 2 1 388.281 1.754 20 0 GDADMP CC(C)C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)C(=O)NCC[NH+](C)C ZINC000414369992 531444509 /nfs/dbraw/zinc/44/45/09/531444509.db2.gz VRWCNIXRHSKNFP-AWEZNQCLSA-N 2 1 375.560 1.334 20 0 GDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000415560499 531494482 /nfs/dbraw/zinc/49/44/82/531494482.db2.gz FWKSOSWZRBJJLE-NWDGAFQWSA-N 2 1 397.317 1.645 20 0 GDADMP CN(CC(C)(C)[NH3+])C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000659016251 531536021 /nfs/dbraw/zinc/53/60/21/531536021.db2.gz VRSFMXDYUUTXSE-UHFFFAOYSA-N 2 1 399.337 1.797 20 0 GDADMP C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[NH2+]CCO1 ZINC000638131268 531644839 /nfs/dbraw/zinc/64/48/39/531644839.db2.gz LBJFWYOMACIJTO-SFHVURJKSA-N 2 1 396.329 1.908 20 0 GDADMP COCC[NH2+]C1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662581907 531690310 /nfs/dbraw/zinc/69/03/10/531690310.db2.gz XMNUXPITERNBLD-UHFFFAOYSA-N 2 1 388.331 1.954 20 0 GDADMP [NH3+][C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1Br ZINC000662569750 531690513 /nfs/dbraw/zinc/69/05/13/531690513.db2.gz UYSOGRPNUJORGY-OAGGEKHMSA-N 2 1 382.302 1.804 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1nn(C)cc1Br ZINC000665023576 531732363 /nfs/dbraw/zinc/73/23/63/531732363.db2.gz KZCCRGFQYZZNCR-LBPRGKRZSA-N 2 1 389.342 1.254 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1nn(C)cc1Br ZINC000665023576 531732368 /nfs/dbraw/zinc/73/23/68/531732368.db2.gz KZCCRGFQYZZNCR-LBPRGKRZSA-N 2 1 389.342 1.254 20 0 GDADMP O=C(NC1C[NH2+]C1)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000562825336 531782691 /nfs/dbraw/zinc/78/26/91/531782691.db2.gz XYMFNHKOGMPVMO-UHFFFAOYSA-N 2 1 385.295 1.162 20 0 GDADMP O=S(=O)(NCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1F ZINC000669618694 531817409 /nfs/dbraw/zinc/81/74/09/531817409.db2.gz LLPPRCRULDFBJN-UONOGXRCSA-N 2 1 375.897 1.974 20 0 GDADMP C[C@H](CCC[NH3+])NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595948918 531894893 /nfs/dbraw/zinc/89/48/93/531894893.db2.gz CORIXGPNFPMZIO-SSDOTTSWSA-N 2 1 379.267 1.813 20 0 GDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(COC)CCC1 ZINC000651543693 531937156 /nfs/dbraw/zinc/93/71/56/531937156.db2.gz BWMOBVKHDPVWJP-QGZVFWFLSA-N 2 1 375.579 1.481 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(COC)CCC1 ZINC000651543693 531937164 /nfs/dbraw/zinc/93/71/64/531937164.db2.gz BWMOBVKHDPVWJP-QGZVFWFLSA-N 2 1 375.579 1.481 20 0 GDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000626863262 531939274 /nfs/dbraw/zinc/93/92/74/531939274.db2.gz FRUXBNMELDOWCL-LSDHHAIUSA-N 2 1 397.317 1.706 20 0 GDADMP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000738440470 598520733 /nfs/dbraw/zinc/52/07/33/598520733.db2.gz FLDZPGBUDBZPLL-OAHLLOKOSA-N 2 1 393.499 1.143 20 0 GDADMP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCC[N@H+]1CCc3ccccc3C1)C2 ZINC000738440470 598520734 /nfs/dbraw/zinc/52/07/34/598520734.db2.gz FLDZPGBUDBZPLL-OAHLLOKOSA-N 2 1 393.499 1.143 20 0 GDADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000736510229 598531069 /nfs/dbraw/zinc/53/10/69/598531069.db2.gz SHEWDYLQJAQXBE-MRXNPFEDSA-N 2 1 381.488 1.346 20 0 GDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@H](C)C1 ZINC000821254947 606184336 /nfs/dbraw/zinc/18/43/36/606184336.db2.gz QPHMPXKFEPJLEB-TZMCWYRMSA-N 2 1 377.518 1.919 20 0 GDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@H](C)C1 ZINC000821254947 606184337 /nfs/dbraw/zinc/18/43/37/606184337.db2.gz QPHMPXKFEPJLEB-TZMCWYRMSA-N 2 1 377.518 1.919 20 0 GDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@H](C)C1 ZINC000821254947 606184339 /nfs/dbraw/zinc/18/43/39/606184339.db2.gz QPHMPXKFEPJLEB-TZMCWYRMSA-N 2 1 377.518 1.919 20 0 GDADMP CC(C)[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC000735692809 607151451 /nfs/dbraw/zinc/15/14/51/607151451.db2.gz UQGLVERKGOXOLQ-GOSISDBHSA-N 2 1 385.516 1.487 20 0 GDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000825594012 608281844 /nfs/dbraw/zinc/28/18/44/608281844.db2.gz HKHSFCBOWZLRRA-VQIMIIECSA-N 2 1 388.516 1.972 20 0 GDADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1cccc(Br)c1 ZINC000567110440 650886141 /nfs/dbraw/zinc/88/61/41/650886141.db2.gz DZJLRAGEYAXHGJ-JKSUJKDBSA-N 2 1 387.318 1.625 20 0 GDADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423556754 646130186 /nfs/dbraw/zinc/13/01/86/646130186.db2.gz MODPWLWXEPCHLR-SNVBAGLBSA-N 2 1 376.320 1.889 20 0 GDADMP COc1cc(Br)c(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1O ZINC000470018296 647719805 /nfs/dbraw/zinc/71/98/05/647719805.db2.gz NIJSWFDUYHUHRF-NSHDSACASA-N 2 1 386.290 1.450 20 0 GDADMP COc1cc(Br)c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1O ZINC000470018296 647719807 /nfs/dbraw/zinc/71/98/07/647719807.db2.gz NIJSWFDUYHUHRF-NSHDSACASA-N 2 1 386.290 1.450 20 0 GDADMP C[N@H+](CCn1cc(Br)cn1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000572075122 651089715 /nfs/dbraw/zinc/08/97/15/651089715.db2.gz GRHFZSDUDLUOPH-UHFFFAOYSA-N 2 1 384.322 1.320 20 0 GDADMP C[N@@H+](CCn1cc(Br)cn1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000572075122 651089716 /nfs/dbraw/zinc/08/97/16/651089716.db2.gz GRHFZSDUDLUOPH-UHFFFAOYSA-N 2 1 384.322 1.320 20 0 GDADMP C[NH+]1CCN([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c2cccs2)CC1 ZINC000575025642 651577363 /nfs/dbraw/zinc/57/73/63/651577363.db2.gz FVZMSOVIYNHPNK-STQMWFEESA-N 2 1 375.489 1.318 20 0 GDADMP O=C(NC[C@@H]1CCC[NH2+]1)c1sc2c(c1I)C[NH2+]C2 ZINC000595924603 652427298 /nfs/dbraw/zinc/42/72/98/652427298.db2.gz NQOGIEOHCPZNQR-ZETCQYMHSA-N 2 1 377.251 1.438 20 0 GDADMP C[NH+](C)C[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000637473252 653529270 /nfs/dbraw/zinc/52/92/70/653529270.db2.gz JSZBYSKHEXUJBD-DOTOQJQBSA-N 2 1 389.327 1.962 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000787920405 654975857 /nfs/dbraw/zinc/97/58/57/654975857.db2.gz HDPHLPKKXJYXNF-ZDUSSCGKSA-N 2 1 392.928 1.911 20 0 GDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000819004851 655382995 /nfs/dbraw/zinc/38/29/95/655382995.db2.gz UGEAXHYHWXBTTG-GOEBONIOSA-N 2 1 384.318 1.660 20 0 GDADMP Cn1nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1Br ZINC000825393385 655488713 /nfs/dbraw/zinc/48/87/13/655488713.db2.gz DRVZYMMJWDQBMK-UHFFFAOYSA-N 2 1 379.262 1.582 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)n(C)n1 ZINC000825568367 655491128 /nfs/dbraw/zinc/49/11/28/655491128.db2.gz OVARPYLCLJINLG-CYBMUJFWSA-N 2 1 386.338 1.671 20 0 GDADMP C[NH+](C)C[C@@H]1CN(C(=O)CSc2n[nH]c(=S)s2)C[C@H]1C[NH+](C)C ZINC000870022226 656214442 /nfs/dbraw/zinc/21/44/42/656214442.db2.gz ZHDZJXGZHDLGEH-GHMZBOCLSA-N 2 1 375.589 1.117 20 0 GDADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(Br)nn3C)C2)[C@H]1C(C)C ZINC000922392991 656474198 /nfs/dbraw/zinc/47/41/98/656474198.db2.gz ISJBVLVVAPUHEO-NCZKRNLISA-N 2 1 386.338 1.537 20 0 GDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(Br)nn3C)C2)[C@H]1C(C)C ZINC000922392991 656474201 /nfs/dbraw/zinc/47/42/01/656474201.db2.gz ISJBVLVVAPUHEO-NCZKRNLISA-N 2 1 386.338 1.537 20 0 GDADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](N)c2cccc(Br)c2)C[C@H]1C[NH+](C)C ZINC000877144907 656656282 /nfs/dbraw/zinc/65/62/82/656656282.db2.gz ZCZMRGZQHABSIC-INMHGKMJSA-N 2 1 397.361 1.647 20 0 GDADMP [NH3+][C@@H](C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000877328903 656667205 /nfs/dbraw/zinc/66/72/05/656667205.db2.gz OBVSHGDRPOIKDH-IUODEOHRSA-N 2 1 382.302 1.724 20 0 GDADMP COC[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000879664467 656818121 /nfs/dbraw/zinc/81/81/21/656818121.db2.gz XWPGHFWLZUSQFK-INIZCTEOSA-N 2 1 384.318 1.937 20 0 GDADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1 ZINC000904334147 659399413 /nfs/dbraw/zinc/39/94/13/659399413.db2.gz NHZZSNBAPTWZRD-XBXGTLAGSA-N 2 1 388.331 1.493 20 0 GDADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2I)C1 ZINC000911636290 660013090 /nfs/dbraw/zinc/01/30/90/660013090.db2.gz VOOUAVPYGNRTDZ-BXUZGUMPSA-N 2 1 387.265 1.749 20 0 GDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001164807091 720123280 /nfs/dbraw/zinc/12/32/80/720123280.db2.gz BIYNDJRRVJLDHL-RXVVDRJESA-N 2 1 386.544 1.071 20 0 GDADMP [NH3+]C1CCN(c2ccnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164735757 720411266 /nfs/dbraw/zinc/41/12/66/720411266.db2.gz YPWPPZXPYUWUIJ-RBUKOAKNSA-N 2 1 379.512 1.652 20 0 GDADMP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(N(C)C)[nH+]1 ZINC001164748949 720813800 /nfs/dbraw/zinc/81/38/00/720813800.db2.gz SBLOGQKYDMYVEZ-GUDVDZBRSA-N 2 1 396.543 1.822 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164748949 720813801 /nfs/dbraw/zinc/81/38/01/720813801.db2.gz SBLOGQKYDMYVEZ-GUDVDZBRSA-N 2 1 396.543 1.822 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164748949 720813802 /nfs/dbraw/zinc/81/38/02/720813802.db2.gz SBLOGQKYDMYVEZ-GUDVDZBRSA-N 2 1 396.543 1.822 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)cc(C)[nH+]3)CC[C@H]2C1 ZINC001164847948 720830803 /nfs/dbraw/zinc/83/08/03/720830803.db2.gz LDNOBSSFMIGEAA-ROUUACIJSA-N 2 1 375.517 1.559 20 0 GDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(N3CC[NH+](C)CC3)nn1)[C@H]2C ZINC001164855540 720928601 /nfs/dbraw/zinc/92/86/01/720928601.db2.gz IFZSBQRONYYDRW-KRWDZBQOSA-N 2 1 398.559 1.846 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164980766 722105176 /nfs/dbraw/zinc/10/51/76/722105176.db2.gz KHUHQTTYNKDADR-YLJYHZDGSA-N 2 1 380.496 1.245 20 0 GDADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571281902 945819537 /nfs/dbraw/zinc/81/95/37/945819537.db2.gz BOSIURWCBBZREY-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571281902 945819549 /nfs/dbraw/zinc/81/95/49/945819549.db2.gz BOSIURWCBBZREY-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571281902 945819561 /nfs/dbraw/zinc/81/95/61/945819561.db2.gz BOSIURWCBBZREY-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571281902 945819573 /nfs/dbraw/zinc/81/95/73/945819573.db2.gz BOSIURWCBBZREY-BBRMVZONSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282627 945854470 /nfs/dbraw/zinc/85/44/70/945854470.db2.gz MQVCPVHSHTZZAX-GDBMZVCRSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282627 945854487 /nfs/dbraw/zinc/85/44/87/945854487.db2.gz MQVCPVHSHTZZAX-GDBMZVCRSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282627 945854502 /nfs/dbraw/zinc/85/45/02/945854502.db2.gz MQVCPVHSHTZZAX-GDBMZVCRSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282627 945854509 /nfs/dbraw/zinc/85/45/09/945854509.db2.gz MQVCPVHSHTZZAX-GDBMZVCRSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282779 945861296 /nfs/dbraw/zinc/86/12/96/945861296.db2.gz QVGJJULCAXDHFU-CABCVRRESA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282779 945861303 /nfs/dbraw/zinc/86/13/03/945861303.db2.gz QVGJJULCAXDHFU-CABCVRRESA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282779 945861307 /nfs/dbraw/zinc/86/13/07/945861307.db2.gz QVGJJULCAXDHFU-CABCVRRESA-N 2 1 387.463 1.038 20 0 GDADMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282909 945867587 /nfs/dbraw/zinc/86/75/87/945867587.db2.gz VJXNCBVEGOQSOY-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282909 945867602 /nfs/dbraw/zinc/86/76/02/945867602.db2.gz VJXNCBVEGOQSOY-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282909 945867615 /nfs/dbraw/zinc/86/76/15/945867615.db2.gz VJXNCBVEGOQSOY-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282909 945867630 /nfs/dbraw/zinc/86/76/30/945867630.db2.gz VJXNCBVEGOQSOY-CJNGLKHVSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571294105 946124787 /nfs/dbraw/zinc/12/47/87/946124787.db2.gz ANXRFZLMQDXKJA-KGLIPLIRSA-N 2 1 389.529 1.351 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571294105 946124792 /nfs/dbraw/zinc/12/47/92/946124792.db2.gz ANXRFZLMQDXKJA-KGLIPLIRSA-N 2 1 389.529 1.351 20 0 GDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571294105 946124796 /nfs/dbraw/zinc/12/47/96/946124796.db2.gz ANXRFZLMQDXKJA-KGLIPLIRSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571294570 946139469 /nfs/dbraw/zinc/13/94/69/946139469.db2.gz JDOXPHIKVVATCJ-KBPBESRZSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)CC[N@H+]1C ZINC001571294773 946143198 /nfs/dbraw/zinc/14/31/98/946143198.db2.gz MARZKJNWZDIPFW-UMVBOHGHSA-N 2 1 389.529 1.301 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571294773 946143204 /nfs/dbraw/zinc/14/32/04/946143204.db2.gz MARZKJNWZDIPFW-UMVBOHGHSA-N 2 1 389.529 1.301 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)CC[NH+]1C ZINC001571294773 946143212 /nfs/dbraw/zinc/14/32/12/946143212.db2.gz MARZKJNWZDIPFW-UMVBOHGHSA-N 2 1 389.529 1.301 20 0 GDADMP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823689857 946467218 /nfs/dbraw/zinc/46/72/18/946467218.db2.gz JWEAQOUTZOHWFO-SJLPKXTDSA-N 2 1 386.500 1.414 20 0 GDADMP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823689857 946467231 /nfs/dbraw/zinc/46/72/31/946467231.db2.gz JWEAQOUTZOHWFO-SJLPKXTDSA-N 2 1 386.500 1.414 20 0 GDADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCOCC1 ZINC000826502850 948421588 /nfs/dbraw/zinc/42/15/88/948421588.db2.gz LLHHWRDCGHHHCV-IBGZPJMESA-N 2 1 386.500 1.208 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574926101 948983332 /nfs/dbraw/zinc/98/33/32/948983332.db2.gz ILQOPRPYOBNHCV-ZDUSSCGKSA-N 2 1 391.495 1.578 20 0 GDADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575878334 949681979 /nfs/dbraw/zinc/68/19/79/949681979.db2.gz OOWQVKTZTZCIOH-MAUKXSAKSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575878334 949681990 /nfs/dbraw/zinc/68/19/90/949681990.db2.gz OOWQVKTZTZCIOH-MAUKXSAKSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574718463 949783697 /nfs/dbraw/zinc/78/36/97/949783697.db2.gz XOQONDQFMYWCGG-QAPCUYQASA-N 2 1 385.516 1.678 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576196779 950370144 /nfs/dbraw/zinc/37/01/44/950370144.db2.gz HVCMADISGUUFJG-CQSZACIVSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576196779 950370164 /nfs/dbraw/zinc/37/01/64/950370164.db2.gz HVCMADISGUUFJG-CQSZACIVSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576196779 950370183 /nfs/dbraw/zinc/37/01/83/950370183.db2.gz HVCMADISGUUFJG-CQSZACIVSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576197509 950395470 /nfs/dbraw/zinc/39/54/70/950395470.db2.gz PDKVCNWVUGGTCX-DZGCQCFKSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001576204839 950478629 /nfs/dbraw/zinc/47/86/29/950478629.db2.gz RMJXIHWSWFTJLH-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576204839 950478642 /nfs/dbraw/zinc/47/86/42/950478642.db2.gz RMJXIHWSWFTJLH-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576204839 950478656 /nfs/dbraw/zinc/47/86/56/950478656.db2.gz RMJXIHWSWFTJLH-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576205586 950529327 /nfs/dbraw/zinc/52/93/27/950529327.db2.gz KEEVNDSUWIHUGG-SWLSCSKDSA-N 2 1 389.529 1.254 20 0 GDADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576206592 950576898 /nfs/dbraw/zinc/57/68/98/950576898.db2.gz YBAVXAWXUCZTAV-UONOGXRCSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576206819 950584782 /nfs/dbraw/zinc/58/47/82/950584782.db2.gz ZCPHYBZBSXEBMP-CQSZACIVSA-N 2 1 389.479 1.286 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576206819 950584800 /nfs/dbraw/zinc/58/48/00/950584800.db2.gz ZCPHYBZBSXEBMP-CQSZACIVSA-N 2 1 389.479 1.286 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576206819 950584819 /nfs/dbraw/zinc/58/48/19/950584819.db2.gz ZCPHYBZBSXEBMP-CQSZACIVSA-N 2 1 389.479 1.286 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576214074 950659504 /nfs/dbraw/zinc/65/95/04/950659504.db2.gz MMCUNLVGPMFNEZ-JHJVBQTASA-N 2 1 375.502 1.007 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077324 951665544 /nfs/dbraw/zinc/66/55/44/951665544.db2.gz FQTUPCPLVNTAEU-UONOGXRCSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575079917 951699190 /nfs/dbraw/zinc/69/91/90/951699190.db2.gz SUZMMAJEXCWQMF-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119945 952497485 /nfs/dbraw/zinc/49/74/85/952497485.db2.gz HKWIPRYKEAPZPO-TZMCWYRMSA-N 2 1 375.502 1.103 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571169618 952776320 /nfs/dbraw/zinc/77/63/20/952776320.db2.gz IHGXFAYFOYYNTA-KRWDZBQOSA-N 2 1 380.456 1.152 20 0 GDADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571234221 953199977 /nfs/dbraw/zinc/19/99/77/953199977.db2.gz QCBYTYALVBNQDO-KDOFPFPSSA-N 2 1 383.500 1.288 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571234696 953204698 /nfs/dbraw/zinc/20/46/98/953204698.db2.gz GDXKLZHVLDLEEI-RDJZCZTQSA-N 2 1 383.500 1.145 20 0 GDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571234696 953204703 /nfs/dbraw/zinc/20/47/03/953204703.db2.gz GDXKLZHVLDLEEI-RDJZCZTQSA-N 2 1 383.500 1.145 20 0 GDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571234696 953204707 /nfs/dbraw/zinc/20/47/07/953204707.db2.gz GDXKLZHVLDLEEI-RDJZCZTQSA-N 2 1 383.500 1.145 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234667 953204762 /nfs/dbraw/zinc/20/47/62/953204762.db2.gz FQUAIDPTJWWGAU-AEFFLSMTSA-N 2 1 383.500 1.147 20 0 GDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571235215 953210372 /nfs/dbraw/zinc/21/03/72/953210372.db2.gz XITKBYLOANCMJW-FAEJEUNOSA-N 2 1 383.500 1.288 20 0 GDADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3cnc(N4CCOCC4)s3)C2)[C@H]1C(C)C ZINC001550424022 1126206863 /nfs/dbraw/zinc/20/68/63/1126206863.db2.gz WWLMJSKGUUCQOJ-GNBUJSLZSA-N 2 1 394.585 1.939 20 0 GDADMP Cc1[nH+]ccn1CCC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000127356261 531029466 /nfs/dbraw/zinc/02/94/66/531029466.db2.gz SFKQHGBQWLMVJP-UHFFFAOYSA-N 2 1 382.452 1.870 20 0 GDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000484912394 531427124 /nfs/dbraw/zinc/42/71/24/531427124.db2.gz FCSKPCPFVDZSBD-OLZOCXBDSA-N 2 1 386.327 1.706 20 0 GDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000484912394 531427128 /nfs/dbraw/zinc/42/71/28/531427128.db2.gz FCSKPCPFVDZSBD-OLZOCXBDSA-N 2 1 386.327 1.706 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000414263225 531437217 /nfs/dbraw/zinc/43/72/17/531437217.db2.gz DPHAZARBSOGYEM-GFCCVEGCSA-N 2 1 388.331 1.670 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1Br ZINC000415310220 531473762 /nfs/dbraw/zinc/47/37/62/531473762.db2.gz ONBHTELADDZVBZ-UHFFFAOYSA-N 2 1 383.290 1.271 20 0 GDADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000414749820 531463205 /nfs/dbraw/zinc/46/32/05/531463205.db2.gz WRILPOQINQRTIX-BLLLJJGKSA-N 2 1 397.317 1.105 20 0 GDADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415497258 531490645 /nfs/dbraw/zinc/49/06/45/531490645.db2.gz OZXAKKJPGXHHGE-AWEZNQCLSA-N 2 1 397.317 1.660 20 0 GDADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000545457756 531492212 /nfs/dbraw/zinc/49/22/12/531492212.db2.gz VQQCLYIUHVYQSL-INIZCTEOSA-N 2 1 398.345 1.874 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1Br ZINC000415560564 531495161 /nfs/dbraw/zinc/49/51/61/531495161.db2.gz MGWZTGKAEJYTPX-UHFFFAOYSA-N 2 1 383.290 1.447 20 0 GDADMP CC(C)[C@H]([NH3+])CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415794728 531532461 /nfs/dbraw/zinc/53/24/61/531532461.db2.gz VZQSOADAOJCDBU-CYBMUJFWSA-N 2 1 399.337 1.701 20 0 GDADMP C[C@H](CC[NH3+])NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415785134 531530525 /nfs/dbraw/zinc/53/05/25/531530525.db2.gz HXBOLQMCISMAKF-LLVKDONJSA-N 2 1 385.310 1.455 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000561036844 531676765 /nfs/dbraw/zinc/67/67/65/531676765.db2.gz DEKABIDFLNXYFY-AWEZNQCLSA-N 2 1 397.321 1.455 20 0 GDADMP O=C(N[C@H]1CCC[NH2+]CC1)c1sc2c(c1I)C[NH2+]C2 ZINC000595950453 531896008 /nfs/dbraw/zinc/89/60/08/531896008.db2.gz LSDRWGQDAYKTCD-QMMMGPOBSA-N 2 1 391.278 1.828 20 0 GDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595963516 531899122 /nfs/dbraw/zinc/89/91/22/531899122.db2.gz MCLGDZJRERCUHT-BQBZGAKWSA-N 2 1 379.267 1.812 20 0 GDADMP O=c1ccc(Br)cn1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771596 531975367 /nfs/dbraw/zinc/97/53/67/531975367.db2.gz NKUKKYZEIVEJMX-MRXNPFEDSA-N 2 1 384.318 1.844 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C)c1Br ZINC000274192252 532193541 /nfs/dbraw/zinc/19/35/41/532193541.db2.gz KVFSFNZLHBTYEU-CYBMUJFWSA-N 2 1 386.338 1.671 20 0 GDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736237067 599028878 /nfs/dbraw/zinc/02/88/78/599028878.db2.gz OJKZFEFPAHUEJD-IAGOWNOFSA-N 2 1 397.527 1.774 20 0 GDADMP CC(C)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCC(C)CC1 ZINC000736277869 598521105 /nfs/dbraw/zinc/52/11/05/598521105.db2.gz NLNDIFWSKUQOJL-DOTOQJQBSA-N 2 1 387.536 1.451 20 0 GDADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821159977 599330277 /nfs/dbraw/zinc/33/02/77/599330277.db2.gz FJAANLLOZRBKJY-HNNXBMFYSA-N 2 1 381.488 1.665 20 0 GDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821159977 599330280 /nfs/dbraw/zinc/33/02/80/599330280.db2.gz FJAANLLOZRBKJY-HNNXBMFYSA-N 2 1 381.488 1.665 20 0 GDADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821159977 599330283 /nfs/dbraw/zinc/33/02/83/599330283.db2.gz FJAANLLOZRBKJY-HNNXBMFYSA-N 2 1 381.488 1.665 20 0 GDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821159977 599330285 /nfs/dbraw/zinc/33/02/85/599330285.db2.gz FJAANLLOZRBKJY-HNNXBMFYSA-N 2 1 381.488 1.665 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826504579 607478361 /nfs/dbraw/zinc/47/83/61/607478361.db2.gz ZELSGVBFIJXFGB-KPFFTGBYSA-N 2 1 398.511 1.555 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826504579 607478363 /nfs/dbraw/zinc/47/83/63/607478363.db2.gz ZELSGVBFIJXFGB-KPFFTGBYSA-N 2 1 398.511 1.555 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000826504579 607478365 /nfs/dbraw/zinc/47/83/65/607478365.db2.gz ZELSGVBFIJXFGB-KPFFTGBYSA-N 2 1 398.511 1.555 20 0 GDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625391 606898302 /nfs/dbraw/zinc/89/83/02/606898302.db2.gz MMOWUWLLTLZWND-MOPGFXCFSA-N 2 1 385.516 1.002 20 0 GDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625391 606898303 /nfs/dbraw/zinc/89/83/03/606898303.db2.gz MMOWUWLLTLZWND-MOPGFXCFSA-N 2 1 385.516 1.002 20 0 GDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625688 606989614 /nfs/dbraw/zinc/98/96/14/606989614.db2.gz UEHADFKUZIZCHR-GXTWGEPZSA-N 2 1 375.502 1.673 20 0 GDADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625688 606989616 /nfs/dbraw/zinc/98/96/16/606989616.db2.gz UEHADFKUZIZCHR-GXTWGEPZSA-N 2 1 375.502 1.673 20 0 GDADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625688 606989618 /nfs/dbraw/zinc/98/96/18/606989618.db2.gz UEHADFKUZIZCHR-GXTWGEPZSA-N 2 1 375.502 1.673 20 0 GDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625688 606989620 /nfs/dbraw/zinc/98/96/20/606989620.db2.gz UEHADFKUZIZCHR-GXTWGEPZSA-N 2 1 375.502 1.673 20 0 GDADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000823706834 607152142 /nfs/dbraw/zinc/15/21/42/607152142.db2.gz PSECAHIOOLBMAF-MSOLQXFVSA-N 2 1 396.499 1.372 20 0 GDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826390290 608509564 /nfs/dbraw/zinc/50/95/64/608509564.db2.gz VYBHHZKSCHNMRQ-FUHWJXTLSA-N 2 1 383.500 1.421 20 0 GDADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361358 609337897 /nfs/dbraw/zinc/33/78/97/609337897.db2.gz UKDHWJAXMININO-ROUUACIJSA-N 2 1 378.484 1.984 20 0 GDADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361358 609337900 /nfs/dbraw/zinc/33/79/00/609337900.db2.gz UKDHWJAXMININO-ROUUACIJSA-N 2 1 378.484 1.984 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422567764 646079483 /nfs/dbraw/zinc/07/94/83/646079483.db2.gz ZZQMSCBPSMPQFS-UHFFFAOYSA-N 2 1 399.337 1.845 20 0 GDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000515434913 648496322 /nfs/dbraw/zinc/49/63/22/648496322.db2.gz QDUIAXRNFDCYLP-DGCLKSJQSA-N 2 1 399.264 1.161 20 0 GDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000515434913 648496326 /nfs/dbraw/zinc/49/63/26/648496326.db2.gz QDUIAXRNFDCYLP-DGCLKSJQSA-N 2 1 399.264 1.161 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N2CC[NH2+]CC2)CC1 ZINC000516632825 648530058 /nfs/dbraw/zinc/53/00/58/648530058.db2.gz KRLQJNYBPKASDD-UHFFFAOYSA-N 2 1 383.294 1.033 20 0 GDADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000572379632 651095585 /nfs/dbraw/zinc/09/55/85/651095585.db2.gz MBMVDIWZMDLTEY-WCQYABFASA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000572379632 651095587 /nfs/dbraw/zinc/09/55/87/651095587.db2.gz MBMVDIWZMDLTEY-WCQYABFASA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+]C[C@@H]1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595918541 652426506 /nfs/dbraw/zinc/42/65/06/652426506.db2.gz FJNPSDXXGGAETN-ZETCQYMHSA-N 2 1 377.251 1.377 20 0 GDADMP C[C@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000595924649 652427118 /nfs/dbraw/zinc/42/71/18/652427118.db2.gz OYAXYBDASQLTAZ-CBAPKCEASA-N 2 1 391.278 1.765 20 0 GDADMP [NH3+]C[C@@H](NC(=O)c1sc2c(c1I)C[NH2+]C2)C1CC1 ZINC000595924823 652427246 /nfs/dbraw/zinc/42/72/46/652427246.db2.gz PVZOTVORHSUELU-MRVPVSSYSA-N 2 1 377.251 1.423 20 0 GDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCn2cc(Br)cn2)CC1 ZINC000619180108 652985787 /nfs/dbraw/zinc/98/57/87/652985787.db2.gz GBTBHPOESYMDCX-UHFFFAOYSA-N 2 1 393.289 1.821 20 0 GDADMP Cc1nn(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1Br ZINC000640169668 653556686 /nfs/dbraw/zinc/55/66/86/653556686.db2.gz MTLKREOFFAAXPT-NSHDSACASA-N 2 1 389.342 1.885 20 0 GDADMP Cc1nn(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1Br ZINC000640169668 653556687 /nfs/dbraw/zinc/55/66/87/653556687.db2.gz MTLKREOFFAAXPT-NSHDSACASA-N 2 1 389.342 1.885 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCOc3cccc(Br)c3C2)C1 ZINC000656195254 654010887 /nfs/dbraw/zinc/01/08/87/654010887.db2.gz XDGQDXWWCHBHRM-ZDUSSCGKSA-N 2 1 382.302 1.841 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCOc3cccc(Br)c3C2)C1 ZINC000656195254 654010890 /nfs/dbraw/zinc/01/08/90/654010890.db2.gz XDGQDXWWCHBHRM-ZDUSSCGKSA-N 2 1 382.302 1.841 20 0 GDADMP C[C@]([NH3+])(C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000662905596 654317591 /nfs/dbraw/zinc/31/75/91/654317591.db2.gz FGYVLXJMYRSWID-NVXWUHKLSA-N 2 1 381.318 1.129 20 0 GDADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156053 656318812 /nfs/dbraw/zinc/31/88/12/656318812.db2.gz DFWVLFZEJNVRBB-SJLPKXTDSA-N 2 1 375.579 1.562 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(N)nc(Br)c1 ZINC000874266705 656456736 /nfs/dbraw/zinc/45/67/36/656456736.db2.gz OXYPWALEPCXEMX-AWEZNQCLSA-N 2 1 398.349 1.914 20 0 GDADMP C[C@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@@H]1C[NH3+] ZINC000923497722 656556709 /nfs/dbraw/zinc/55/67/09/656556709.db2.gz CXJJRUUCAMKASX-QWHCGFSZSA-N 2 1 397.317 1.421 20 0 GDADMP [NH3+][C@H]1C[C@H](CNC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000877243839 656660383 /nfs/dbraw/zinc/66/03/83/656660383.db2.gz PWPXRLFQCXIYDZ-LJGSYFOKSA-N 2 1 377.251 1.423 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1Br ZINC000927853697 656845553 /nfs/dbraw/zinc/84/55/53/656845553.db2.gz QIZJYBPOQYMRPU-AWEZNQCLSA-N 2 1 397.317 1.645 20 0 GDADMP Cn1ncc(I)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000894260193 658528841 /nfs/dbraw/zinc/52/88/41/658528841.db2.gz LLUQSHNMBQQIGW-LBPRGKRZSA-N 2 1 392.285 1.351 20 0 GDADMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1c(I)cnn1C ZINC000894484155 658567546 /nfs/dbraw/zinc/56/75/46/658567546.db2.gz QVKWRIZEVFYRAJ-GFCCVEGCSA-N 2 1 391.301 1.140 20 0 GDADMP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1I ZINC000911882257 660020208 /nfs/dbraw/zinc/02/02/08/660020208.db2.gz UPBPINGAWOMART-ZWNOBZJWSA-N 2 1 375.254 1.925 20 0 GDADMP CCOc1ccc(C(=O)OC)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682017 719628360 /nfs/dbraw/zinc/62/83/60/719628360.db2.gz LCTFYZXDHBAHEF-UHFFFAOYSA-N 2 1 387.484 1.939 20 0 GDADMP CCOc1ccc(C(=O)OC)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682017 719628368 /nfs/dbraw/zinc/62/83/68/719628368.db2.gz LCTFYZXDHBAHEF-UHFFFAOYSA-N 2 1 387.484 1.939 20 0 GDADMP Cc1cc2c(nc[nH+]c2N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)[nH]1 ZINC001164717640 720175399 /nfs/dbraw/zinc/17/53/99/720175399.db2.gz KXZQOIKSQSKHEX-QGZVFWFLSA-N 2 1 396.499 1.611 20 0 GDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC001164817616 720285266 /nfs/dbraw/zinc/28/52/66/720285266.db2.gz DYLILMYIQXTYDA-RTBURBONSA-N 2 1 398.555 1.988 20 0 GDADMP c1cc(C2CC[NH2+]CC2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737164 720734637 /nfs/dbraw/zinc/73/46/37/720734637.db2.gz AGGNIGDZANDFMS-IRXDYDNUSA-N 2 1 381.484 1.076 20 0 GDADMP Clc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164744760 720748203 /nfs/dbraw/zinc/74/82/03/720748203.db2.gz SKFFGVUMCCQPRF-KGLIPLIRSA-N 2 1 386.887 1.513 20 0 GDADMP C[N@@H+](Cc1ccc(N2CC[NH+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164745852 720774640 /nfs/dbraw/zinc/77/46/40/720774640.db2.gz WARLYKWSZOXCKI-RBUKOAKNSA-N 2 1 380.496 1.808 20 0 GDADMP C[NH+](Cc1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164745852 720774651 /nfs/dbraw/zinc/77/46/51/720774651.db2.gz WARLYKWSZOXCKI-RBUKOAKNSA-N 2 1 380.496 1.808 20 0 GDADMP C[NH+](Cc1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164745852 720774661 /nfs/dbraw/zinc/77/46/61/720774661.db2.gz WARLYKWSZOXCKI-RBUKOAKNSA-N 2 1 380.496 1.808 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)CC[C@H]2C1 ZINC001164860192 720866995 /nfs/dbraw/zinc/86/69/95/720866995.db2.gz VTIVHQZFGKBDHW-PKOBYXMFSA-N 2 1 375.517 1.117 20 0 GDADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164867672 721119738 /nfs/dbraw/zinc/11/97/38/721119738.db2.gz ZNFJPIVPMNZJHZ-VQTJNVASSA-N 2 1 394.523 1.818 20 0 GDADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164864918 721120964 /nfs/dbraw/zinc/12/09/64/721120964.db2.gz HLYGWNTXQOBEOA-LEWJYISDSA-N 2 1 394.523 1.366 20 0 GDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cccc(N(C)C)[nH+]3)CC2)C1 ZINC001164870290 721264391 /nfs/dbraw/zinc/26/43/91/721264391.db2.gz VHWRLKVRNUVTFT-UHFFFAOYSA-N 2 1 375.517 1.155 20 0 GDADMP c1csc(C[NH+]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)C[C@H]3C2)n1 ZINC001164783966 721427873 /nfs/dbraw/zinc/42/78/73/721427873.db2.gz KCYXKLJMMNSQMF-HUUCEWRRSA-N 2 1 386.525 1.632 20 0 GDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C[NH3+])ncn1)CC2 ZINC001164789444 721455714 /nfs/dbraw/zinc/45/57/14/721455714.db2.gz WHKMNKLKIYWTCU-IBGZPJMESA-N 2 1 389.544 1.669 20 0 GDADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575881487 949722068 /nfs/dbraw/zinc/72/20/68/949722068.db2.gz YODOFCQMFHIITO-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283299 949860100 /nfs/dbraw/zinc/86/01/00/949860100.db2.gz FDFDJOUKVYTUKN-AWEZNQCLSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199292 950425590 /nfs/dbraw/zinc/42/55/90/950425590.db2.gz YGIWIXZLJROFGL-ZIAGYGMSSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199292 950425603 /nfs/dbraw/zinc/42/56/03/950425603.db2.gz YGIWIXZLJROFGL-ZIAGYGMSSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199292 950425622 /nfs/dbraw/zinc/42/56/22/950425622.db2.gz YGIWIXZLJROFGL-ZIAGYGMSSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199292 950425644 /nfs/dbraw/zinc/42/56/44/950425644.db2.gz YGIWIXZLJROFGL-ZIAGYGMSSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575912891 950468818 /nfs/dbraw/zinc/46/88/18/950468818.db2.gz RJJDNCFNCANETO-KDOFPFPSSA-N 2 1 383.500 1.430 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098406 951822327 /nfs/dbraw/zinc/82/23/27/951822327.db2.gz CKYHHMWMYRAZBQ-TZMCWYRMSA-N 2 1 377.518 1.254 20 0 GDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575145287 952182092 /nfs/dbraw/zinc/18/20/92/952182092.db2.gz VGVLTSSFYFYDGA-PBHICJAKSA-N 2 1 386.504 1.205 20 0 GDADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571234488 953203016 /nfs/dbraw/zinc/20/30/16/953203016.db2.gz ZQWJZNXAEPRERR-ZWKOTPCHSA-N 2 1 383.500 1.432 20 0 GDADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3cnc(N4CCOCC4)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424025 1126207195 /nfs/dbraw/zinc/20/71/95/1126207195.db2.gz WWLMJSKGUUCQOJ-RMJJICAUSA-N 2 1 394.585 1.939 20 0 GDADMP COc1cc(Br)c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000262119007 531108884 /nfs/dbraw/zinc/10/88/84/531108884.db2.gz LRTBLVJBKINJRF-ZDUSSCGKSA-N 2 1 384.318 1.946 20 0 GDADMP COc1cc(Br)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000262119007 531108885 /nfs/dbraw/zinc/10/88/85/531108885.db2.gz LRTBLVJBKINJRF-ZDUSSCGKSA-N 2 1 384.318 1.946 20 0 GDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000443059254 531384659 /nfs/dbraw/zinc/38/46/59/531384659.db2.gz MCXYWNIYCJUGQP-ZDUSSCGKSA-N 2 1 397.317 1.565 20 0 GDADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](CO)c1cccc(Br)c1 ZINC000414715616 531462759 /nfs/dbraw/zinc/46/27/59/531462759.db2.gz YWIGRZHXXIWIIM-BBRMVZONSA-N 2 1 384.318 1.612 20 0 GDADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000414749823 531463139 /nfs/dbraw/zinc/46/31/39/531463139.db2.gz WRILPOQINQRTIX-MLGOLLRUSA-N 2 1 397.317 1.105 20 0 GDADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000415393432 531482497 /nfs/dbraw/zinc/48/24/97/531482497.db2.gz KZLLFGSGVWRRLK-LBPRGKRZSA-N 2 1 397.317 1.517 20 0 GDADMP C[NH2+]CCCN(C)C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595964208 531898996 /nfs/dbraw/zinc/89/89/96/531898996.db2.gz PJPLTWVVJCMMTN-UHFFFAOYSA-N 2 1 379.267 1.637 20 0 GDADMP C[C@@H](CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000455891198 531886146 /nfs/dbraw/zinc/88/61/46/531886146.db2.gz GIURLFAIVLRQJU-LBPRGKRZSA-N 2 1 399.337 1.668 20 0 GDADMP CC1(OCC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[NH2+]C1 ZINC000649346909 531925654 /nfs/dbraw/zinc/92/56/54/531925654.db2.gz WMEGJGNWARVOGK-UHFFFAOYSA-N 2 1 396.329 1.908 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000286740487 532172977 /nfs/dbraw/zinc/17/29/77/532172977.db2.gz YEIIQVCUNUOCSV-KRWDZBQOSA-N 2 1 384.318 1.410 20 0 GDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000428236241 532200945 /nfs/dbraw/zinc/20/09/45/532200945.db2.gz JICNYOVCXCJPMD-HNNXBMFYSA-N 2 1 385.350 1.617 20 0 GDADMP COCCn1cc([C@H]2[C@H](C[NH2+]C3CC[NH+](C)CC3)CC(=O)N2C(C)(C)C)cn1 ZINC000328604872 212084128 /nfs/dbraw/zinc/08/41/28/212084128.db2.gz LQTPNPXYISWIRB-OXJNMPFZSA-N 2 1 391.560 1.901 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738389009 599590570 /nfs/dbraw/zinc/59/05/70/599590570.db2.gz VHOMDHSVCZBJKY-ROUUACIJSA-N 2 1 386.500 1.557 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738389009 599590573 /nfs/dbraw/zinc/59/05/73/599590573.db2.gz VHOMDHSVCZBJKY-ROUUACIJSA-N 2 1 386.500 1.557 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000825452534 607677548 /nfs/dbraw/zinc/67/75/48/607677548.db2.gz PYOXOQJCIPOMBQ-KRWDZBQOSA-N 2 1 385.516 1.663 20 0 GDADMP Cc1sc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000822559171 606110559 /nfs/dbraw/zinc/11/05/59/606110559.db2.gz WYLOTBJLSARHOW-UHFFFAOYSA-N 2 1 377.518 1.757 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000822505937 607003048 /nfs/dbraw/zinc/00/30/48/607003048.db2.gz ZJOBYIBMKDCXBD-ROUUACIJSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000822505937 607003049 /nfs/dbraw/zinc/00/30/49/607003049.db2.gz ZJOBYIBMKDCXBD-ROUUACIJSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000822505937 607003051 /nfs/dbraw/zinc/00/30/51/607003051.db2.gz ZJOBYIBMKDCXBD-ROUUACIJSA-N 2 1 393.499 1.807 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1Br ZINC000564939523 650773660 /nfs/dbraw/zinc/77/36/60/650773660.db2.gz FKOWMJWSRUEWJY-OAHLLOKOSA-N 2 1 397.317 1.708 20 0 GDADMP O[C@H](CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1cccc(Br)c1 ZINC000320872548 645254247 /nfs/dbraw/zinc/25/42/47/645254247.db2.gz ZMEFHXRMWBBVLL-BFYDXBDKSA-N 2 1 385.302 1.642 20 0 GDADMP O[C@H](CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)COc1cccc(Br)c1 ZINC000320872548 645254256 /nfs/dbraw/zinc/25/42/56/645254256.db2.gz ZMEFHXRMWBBVLL-BFYDXBDKSA-N 2 1 385.302 1.642 20 0 GDADMP O=C(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1cccc(Br)c1 ZINC000420349412 645940754 /nfs/dbraw/zinc/94/07/54/645940754.db2.gz OSXGQNXXIXLNLJ-MRXNPFEDSA-N 2 1 381.318 1.757 20 0 GDADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351558 645941462 /nfs/dbraw/zinc/94/14/62/645941462.db2.gz XHDNOPQWIOTUCE-CJNGLKHVSA-N 2 1 381.318 1.756 20 0 GDADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351558 645941464 /nfs/dbraw/zinc/94/14/64/645941464.db2.gz XHDNOPQWIOTUCE-CJNGLKHVSA-N 2 1 381.318 1.756 20 0 GDADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000420384178 645942102 /nfs/dbraw/zinc/94/21/02/645942102.db2.gz DEAWKRXJPIECMU-UHFFFAOYSA-N 2 1 390.937 1.460 20 0 GDADMP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467216867 647636767 /nfs/dbraw/zinc/63/67/67/647636767.db2.gz JWFLSBAASXZYKI-UHFFFAOYSA-N 2 1 385.306 1.469 20 0 GDADMP O=C([C@H]1CCC[N@H+](Cc2cc(O)ccc2Br)C1)N1CC[NH2+]CC1 ZINC000469996687 647719110 /nfs/dbraw/zinc/71/91/10/647719110.db2.gz PYKHIDIEEDQYTB-ZDUSSCGKSA-N 2 1 382.302 1.799 20 0 GDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000515069064 648479330 /nfs/dbraw/zinc/47/93/30/648479330.db2.gz XCDKIMXUCWYUAH-BLLLJJGKSA-N 2 1 385.306 1.465 20 0 GDADMP C[N@H+](C[C@@H](O)C[NH2+]CCc1ccc(I)s1)C1CC1 ZINC000517358634 648565195 /nfs/dbraw/zinc/56/51/95/648565195.db2.gz HKVKKBBOUPBGSV-NSHDSACASA-N 2 1 380.295 1.940 20 0 GDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCc1ccc(I)s1)C1CC1 ZINC000517358634 648565199 /nfs/dbraw/zinc/56/51/99/648565199.db2.gz HKVKKBBOUPBGSV-NSHDSACASA-N 2 1 380.295 1.940 20 0 GDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCc1scnc1C ZINC000571293569 651071960 /nfs/dbraw/zinc/07/19/60/651071960.db2.gz ANUCTEHZQSPBOF-MRXNPFEDSA-N 2 1 388.603 1.672 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCc1scnc1C ZINC000571293569 651071962 /nfs/dbraw/zinc/07/19/62/651071962.db2.gz ANUCTEHZQSPBOF-MRXNPFEDSA-N 2 1 388.603 1.672 20 0 GDADMP COc1c(Br)cc(C[N@H+](C)C[C@H](O)C[NH3+])cc1Br ZINC000577828952 651755946 /nfs/dbraw/zinc/75/59/46/651755946.db2.gz AACIGWPVQYSVGC-SECBINFHSA-N 2 1 382.096 1.972 20 0 GDADMP COc1c(Br)cc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1Br ZINC000577828952 651755949 /nfs/dbraw/zinc/75/59/49/651755949.db2.gz AACIGWPVQYSVGC-SECBINFHSA-N 2 1 382.096 1.972 20 0 GDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000633039504 653423381 /nfs/dbraw/zinc/42/33/81/653423381.db2.gz LEHLPMGMZRWHIV-PWSUYJOCSA-N 2 1 383.290 1.397 20 0 GDADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000643521862 653583333 /nfs/dbraw/zinc/58/33/33/653583333.db2.gz DMGWKKOCUWEGIV-ZYHUDNBSSA-N 2 1 376.320 1.889 20 0 GDADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000662751547 654301377 /nfs/dbraw/zinc/30/13/77/654301377.db2.gz KESOPSLEPZMKMW-IAGOWNOFSA-N 2 1 396.329 1.894 20 0 GDADMP C[C@@]([NH3+])(C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000662905599 654317555 /nfs/dbraw/zinc/31/75/55/654317555.db2.gz FGYVLXJMYRSWID-WBVHZDCISA-N 2 1 381.318 1.129 20 0 GDADMP C[NH+](C)CCC[N@H+](C)CCNc1cc(Br)cc(F)c1C(N)=O ZINC000664247897 654370292 /nfs/dbraw/zinc/37/02/92/654370292.db2.gz JWKYYNSRJQUGIH-UHFFFAOYSA-N 2 1 375.286 1.983 20 0 GDADMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(Br)cc(F)c1C(N)=O ZINC000664247897 654370299 /nfs/dbraw/zinc/37/02/99/654370299.db2.gz JWKYYNSRJQUGIH-UHFFFAOYSA-N 2 1 375.286 1.983 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ncn(C)c1Cl ZINC000725830372 654843308 /nfs/dbraw/zinc/84/33/08/654843308.db2.gz FIJJLALETMUDNN-CYBMUJFWSA-N 2 1 377.942 1.110 20 0 GDADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817983379 655363324 /nfs/dbraw/zinc/36/33/24/655363324.db2.gz BAWRYYXBKNJRBS-ZDUSSCGKSA-N 2 1 389.543 1.205 20 0 GDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819004260 655383072 /nfs/dbraw/zinc/38/30/72/655383072.db2.gz LXXQVAMMKKHZPD-HOCLYGCPSA-N 2 1 384.318 1.660 20 0 GDADMP C[C@@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000843061805 655387597 /nfs/dbraw/zinc/38/75/97/655387597.db2.gz IKOZXUUMWHSHKX-CZUORRHYSA-N 2 1 375.282 1.842 20 0 GDADMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(Br)cc1S(N)(=O)=O ZINC000865939833 655930652 /nfs/dbraw/zinc/93/06/52/655930652.db2.gz ZBTFGMPCACWBDA-UHFFFAOYSA-N 2 1 393.351 1.392 20 0 GDADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(Br)cc1S(N)(=O)=O ZINC000865939833 655930654 /nfs/dbraw/zinc/93/06/54/655930654.db2.gz ZBTFGMPCACWBDA-UHFFFAOYSA-N 2 1 393.351 1.392 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000866710309 655955918 /nfs/dbraw/zinc/95/59/18/655955918.db2.gz XWRZVSJOWJMABB-IMJJTQAJSA-N 2 1 396.285 1.695 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000923280655 656542382 /nfs/dbraw/zinc/54/23/82/656542382.db2.gz IKRIJZFQFKSZQZ-GXTWGEPZSA-N 2 1 390.311 1.520 20 0 GDADMP C[N@H+](CCOc1ccc(Br)cc1)CC(=O)NC1CC[NH+](C)CC1 ZINC000877944370 656698755 /nfs/dbraw/zinc/69/87/55/656698755.db2.gz BKSVQVURBCOMKV-UHFFFAOYSA-N 2 1 384.318 1.970 20 0 GDADMP C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)NC1CC[NH+](C)CC1 ZINC000877944370 656698758 /nfs/dbraw/zinc/69/87/58/656698758.db2.gz BKSVQVURBCOMKV-UHFFFAOYSA-N 2 1 384.318 1.970 20 0 GDADMP C[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000878645476 656739591 /nfs/dbraw/zinc/73/95/91/656739591.db2.gz MJFNULQKZFKBRA-OAHLLOKOSA-N 2 1 388.281 1.422 20 0 GDADMP COC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000879663739 656817941 /nfs/dbraw/zinc/81/79/41/656817941.db2.gz RPSGRQYOROPKII-INIZCTEOSA-N 2 1 384.318 1.890 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncc(Br)cn1 ZINC000931397775 657096997 /nfs/dbraw/zinc/09/69/97/657096997.db2.gz XXGXIHPGEADDPG-AWEZNQCLSA-N 2 1 384.322 1.727 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@](C)(CO)c2cccc(Br)c2)CC1 ZINC000934497102 657363400 /nfs/dbraw/zinc/36/34/00/657363400.db2.gz QYXATPVHJUOROW-KRWDZBQOSA-N 2 1 384.318 1.410 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2cc(N3CCSCC3)ncn2)c2c1CC[NH2+]C2 ZINC001164679462 719648364 /nfs/dbraw/zinc/64/83/64/719648364.db2.gz BIPGIVHIDQOEJM-UHFFFAOYSA-N 2 1 387.557 1.701 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(N3CCSCC3)ncn2)c2c1CC[NH2+]C2 ZINC001164679462 719648374 /nfs/dbraw/zinc/64/83/74/719648374.db2.gz BIPGIVHIDQOEJM-UHFFFAOYSA-N 2 1 387.557 1.701 20 0 GDADMP CNC(=O)c1cc(Cl)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680696 719652087 /nfs/dbraw/zinc/65/20/87/719652087.db2.gz HSAPFDWHDOQUSX-UHFFFAOYSA-N 2 1 377.880 1.161 20 0 GDADMP CNC(=O)c1cc(Cl)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680696 719652096 /nfs/dbraw/zinc/65/20/96/719652096.db2.gz HSAPFDWHDOQUSX-UHFFFAOYSA-N 2 1 377.880 1.161 20 0 GDADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C[NH3+])ncn1)CC2 ZINC001164714135 720109130 /nfs/dbraw/zinc/10/91/30/720109130.db2.gz AEHIAVZXTLLGBN-IBGZPJMESA-N 2 1 382.512 1.838 20 0 GDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C[NH+](C)C)ccn1)CCC2 ZINC001164812366 720242690 /nfs/dbraw/zinc/24/26/90/720242690.db2.gz GRFLDYLGCLTWEG-UHFFFAOYSA-N 2 1 384.528 1.950 20 0 GDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC001164817614 720284742 /nfs/dbraw/zinc/28/47/42/720284742.db2.gz DYLILMYIQXTYDA-OALUTQOASA-N 2 1 398.555 1.988 20 0 GDADMP O=C(c1cccnc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1)N1CC[NH2+]CC1 ZINC001164722571 720406567 /nfs/dbraw/zinc/40/65/67/720406567.db2.gz DMVRLYFZGSUTKV-WOJBJXKFSA-N 2 1 392.507 1.375 20 0 GDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc4c(nn3)CC[NH2+]C4)CC[C@@H]21 ZINC001164835847 720571387 /nfs/dbraw/zinc/57/13/87/720571387.db2.gz INGDKKJIPPNXTN-BJLQDIEVSA-N 2 1 381.528 1.697 20 0 GDADMP c1cc(C2CC[NH2+]CC2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737163 720734528 /nfs/dbraw/zinc/73/45/28/720734528.db2.gz AGGNIGDZANDFMS-IAGOWNOFSA-N 2 1 381.484 1.076 20 0 GDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164741330 720838398 /nfs/dbraw/zinc/83/83/98/720838398.db2.gz FCQISMPGRQLGID-BJLQDIEVSA-N 2 1 394.527 1.093 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)C[C@@H]3C2)cn1 ZINC001164762031 721175366 /nfs/dbraw/zinc/17/53/66/721175366.db2.gz BYPOZQGYKLOPGM-OALUTQOASA-N 2 1 381.528 1.183 20 0 GDADMP Cc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164866465 721197675 /nfs/dbraw/zinc/19/76/75/721197675.db2.gz AYFMZTWXZCYFBA-RTBURBONSA-N 2 1 380.496 1.347 20 0 GDADMP O=C(c1cccnc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164781735 721417748 /nfs/dbraw/zinc/41/77/48/721417748.db2.gz DKRXZLSSNKWRNN-HZPDHXFCSA-N 2 1 398.536 1.152 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[NH2+]C3)[C@H]2CCCO[C@H]12 ZINC001164809614 721533793 /nfs/dbraw/zinc/53/37/93/721533793.db2.gz VRJPTKKOBDFDEX-VWPQPMDRSA-N 2 1 379.508 1.991 20 0 GDADMP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000821584911 945724666 /nfs/dbraw/zinc/72/46/66/945724666.db2.gz XTWWHYNZGTXKEY-OAHLLOKOSA-N 2 1 389.529 1.697 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001571281775 945814032 /nfs/dbraw/zinc/81/40/32/945814032.db2.gz NRMYOLRRELPGCI-VHDGCEQUSA-N 2 1 387.463 1.037 20 0 GDADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001571282146 945830360 /nfs/dbraw/zinc/83/03/60/945830360.db2.gz FCPVPHRHYCSMSM-RHSMWYFYSA-N 2 1 387.463 1.133 20 0 GDADMP C[NH+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001571282146 945830371 /nfs/dbraw/zinc/83/03/71/945830371.db2.gz FCPVPHRHYCSMSM-RHSMWYFYSA-N 2 1 387.463 1.133 20 0 GDADMP C[NH+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001571282146 945830386 /nfs/dbraw/zinc/83/03/86/945830386.db2.gz FCPVPHRHYCSMSM-RHSMWYFYSA-N 2 1 387.463 1.133 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704383 949383635 /nfs/dbraw/zinc/38/36/35/949383635.db2.gz BTVVPWLKSINDMG-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873686 949585834 /nfs/dbraw/zinc/58/58/34/949585834.db2.gz BOWFWIWNXKXQOM-QAPCUYQASA-N 2 1 383.500 1.432 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873686 949585852 /nfs/dbraw/zinc/58/58/52/949585852.db2.gz BOWFWIWNXKXQOM-QAPCUYQASA-N 2 1 383.500 1.432 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576191111 950183575 /nfs/dbraw/zinc/18/35/75/950183575.db2.gz DOADOXNTUSIOPC-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194499 950348879 /nfs/dbraw/zinc/34/88/79/950348879.db2.gz ZKYQKFIAAVNXRR-MAUKXSAKSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194499 950348901 /nfs/dbraw/zinc/34/89/01/950348901.db2.gz ZKYQKFIAAVNXRR-MAUKXSAKSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576194499 950348919 /nfs/dbraw/zinc/34/89/19/950348919.db2.gz ZKYQKFIAAVNXRR-MAUKXSAKSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001576196470 950364747 /nfs/dbraw/zinc/36/47/47/950364747.db2.gz FDDSYVMWBQKGSW-MRXNPFEDSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001576196470 950364768 /nfs/dbraw/zinc/36/47/68/950364768.db2.gz FDDSYVMWBQKGSW-MRXNPFEDSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001576196470 950364785 /nfs/dbraw/zinc/36/47/85/950364785.db2.gz FDDSYVMWBQKGSW-MRXNPFEDSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576197249 950381512 /nfs/dbraw/zinc/38/15/12/950381512.db2.gz LYIZFIAGATVZFS-CZUORRHYSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203742 950450154 /nfs/dbraw/zinc/45/01/54/950450154.db2.gz IXHHLXVHYRQTNF-WBVHZDCISA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203742 950450171 /nfs/dbraw/zinc/45/01/71/950450171.db2.gz IXHHLXVHYRQTNF-WBVHZDCISA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203742 950450188 /nfs/dbraw/zinc/45/01/88/950450188.db2.gz IXHHLXVHYRQTNF-WBVHZDCISA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576203760 950450228 /nfs/dbraw/zinc/45/02/28/950450228.db2.gz JEPQMDVMITXVJG-RDTXWAMCSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204294 950460822 /nfs/dbraw/zinc/46/08/22/950460822.db2.gz NMUVHQUGXQHPDA-FOIQADDNSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204294 950460831 /nfs/dbraw/zinc/46/08/31/950460831.db2.gz NMUVHQUGXQHPDA-FOIQADDNSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204294 950460843 /nfs/dbraw/zinc/46/08/43/950460843.db2.gz NMUVHQUGXQHPDA-FOIQADDNSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205432 950516569 /nfs/dbraw/zinc/51/65/69/950516569.db2.gz IXVTWDCHIFYGLO-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205432 950516590 /nfs/dbraw/zinc/51/65/90/950516590.db2.gz IXVTWDCHIFYGLO-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205432 950516608 /nfs/dbraw/zinc/51/66/08/950516608.db2.gz IXVTWDCHIFYGLO-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576206942 950581923 /nfs/dbraw/zinc/58/19/23/950581923.db2.gz ZSLBYUUNXBLNAO-MAUKXSAKSA-N 2 1 385.516 1.439 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574524533 950860268 /nfs/dbraw/zinc/86/02/68/950860268.db2.gz XZCFIYRXZXKGNP-KGLIPLIRSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077322 951666359 /nfs/dbraw/zinc/66/63/59/951666359.db2.gz FQTUPCPLVNTAEU-KBPBESRZSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100470 951843325 /nfs/dbraw/zinc/84/33/25/951843325.db2.gz SNZCTRQXFOZURQ-STQMWFEESA-N 2 1 377.518 1.112 20 0 GDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233831 953195797 /nfs/dbraw/zinc/19/57/97/953195797.db2.gz FPQWRKIIYWGBIP-QZTJIDSGSA-N 2 1 383.500 1.432 20 0 GDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233831 953195799 /nfs/dbraw/zinc/19/57/99/953195799.db2.gz FPQWRKIIYWGBIP-QZTJIDSGSA-N 2 1 383.500 1.432 20 0 GDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233831 953195804 /nfs/dbraw/zinc/19/58/04/953195804.db2.gz FPQWRKIIYWGBIP-QZTJIDSGSA-N 2 1 383.500 1.432 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571235196 953209264 /nfs/dbraw/zinc/20/92/64/953209264.db2.gz WPSRQXCRNPNKIY-AEFFLSMTSA-N 2 1 383.500 1.432 20 0 GDADMP CN(C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571252401 953327883 /nfs/dbraw/zinc/32/78/83/953327883.db2.gz MBCAZJNOFMLAGW-CABCVRRESA-N 2 1 384.488 1.031 20 0 GDADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261725762 531097453 /nfs/dbraw/zinc/09/74/53/531097453.db2.gz RFVNDMCSASRWFA-CYBMUJFWSA-N 2 1 397.317 1.483 20 0 GDADMP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261725762 531097454 /nfs/dbraw/zinc/09/74/54/531097454.db2.gz RFVNDMCSASRWFA-CYBMUJFWSA-N 2 1 397.317 1.483 20 0 GDADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)c2cccnc12 ZINC000261864056 531100699 /nfs/dbraw/zinc/10/06/99/531100699.db2.gz KPIYVNKLWVXDCR-UHFFFAOYSA-N 2 1 377.286 1.861 20 0 GDADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)c2cccnc12 ZINC000261864056 531100700 /nfs/dbraw/zinc/10/07/00/531100700.db2.gz KPIYVNKLWVXDCR-UHFFFAOYSA-N 2 1 377.286 1.861 20 0 GDADMP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000261869013 531101234 /nfs/dbraw/zinc/10/12/34/531101234.db2.gz CYKKBORBKZVQLD-BRWVUGGUSA-N 2 1 396.329 1.926 20 0 GDADMP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000435735888 531269793 /nfs/dbraw/zinc/26/97/93/531269793.db2.gz REWKHXVJFRBFHG-HZPDHXFCSA-N 2 1 386.587 1.535 20 0 GDADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000435735888 531269798 /nfs/dbraw/zinc/26/97/98/531269798.db2.gz REWKHXVJFRBFHG-HZPDHXFCSA-N 2 1 386.587 1.535 20 0 GDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000442785794 531376492 /nfs/dbraw/zinc/37/64/92/531376492.db2.gz YJRGMDLEUYPASA-OLZOCXBDSA-N 2 1 386.327 1.706 20 0 GDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000442785794 531376493 /nfs/dbraw/zinc/37/64/93/531376493.db2.gz YJRGMDLEUYPASA-OLZOCXBDSA-N 2 1 386.327 1.706 20 0 GDADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)COc1ccccc1Br ZINC000484790275 531424558 /nfs/dbraw/zinc/42/45/58/531424558.db2.gz LGVWFZJLDIDGGH-WTTBNOFXSA-N 2 1 399.329 1.936 20 0 GDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000415560500 531495504 /nfs/dbraw/zinc/49/55/04/531495504.db2.gz FWKSOSWZRBJJLE-RYUDHWBXSA-N 2 1 397.317 1.645 20 0 GDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415752843 531525879 /nfs/dbraw/zinc/52/58/79/531525879.db2.gz XSUQLMKVPWCBKV-HZMBPMFUSA-N 2 1 383.290 1.397 20 0 GDADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000659090796 531539694 /nfs/dbraw/zinc/53/96/94/531539694.db2.gz UOWFGJONJVDKFH-UHFFFAOYSA-N 2 1 385.306 1.645 20 0 GDADMP COc1ncc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1Br ZINC000617502284 531660952 /nfs/dbraw/zinc/66/09/52/531660952.db2.gz KAEYTZOOJBIKKZ-LBPRGKRZSA-N 2 1 387.322 1.855 20 0 GDADMP COc1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC000617502284 531660962 /nfs/dbraw/zinc/66/09/62/531660962.db2.gz KAEYTZOOJBIKKZ-LBPRGKRZSA-N 2 1 387.322 1.855 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl ZINC000638668733 531664898 /nfs/dbraw/zinc/66/48/98/531664898.db2.gz LXGONOHLPQTMEB-CQSZACIVSA-N 2 1 387.933 1.578 20 0 GDADMP CCC[NH2+]CCNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595949517 531895814 /nfs/dbraw/zinc/89/58/14/531895814.db2.gz WFOABEGVDLSYKA-UHFFFAOYSA-N 2 1 379.267 1.685 20 0 GDADMP [NH3+]C1CC[NH+](CCc2cn(-c3cccc(I)c3)nn2)CC1 ZINC000600967969 532055926 /nfs/dbraw/zinc/05/59/26/532055926.db2.gz ZLWDPZRPVPWXPG-UHFFFAOYSA-N 2 1 397.264 1.838 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)cnn1C ZINC000429822417 532235846 /nfs/dbraw/zinc/23/58/46/532235846.db2.gz UHZOBNYZBNZOET-ZDUSSCGKSA-N 2 1 377.942 1.110 20 0 GDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC1CCOCC1 ZINC000431554248 532267841 /nfs/dbraw/zinc/26/78/41/532267841.db2.gz ZHONASSJWYEBSF-GOSISDBHSA-N 2 1 375.579 1.481 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC1CCOCC1 ZINC000431554248 532267843 /nfs/dbraw/zinc/26/78/43/532267843.db2.gz ZHONASSJWYEBSF-GOSISDBHSA-N 2 1 375.579 1.481 20 0 GDADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@H](O)C[NH+]3CCCCC3)c2c1 ZINC000822195156 599474122 /nfs/dbraw/zinc/47/41/22/599474122.db2.gz IXAPBKXVHXEUII-HNNXBMFYSA-N 2 1 381.484 1.712 20 0 GDADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821596899 606111428 /nfs/dbraw/zinc/11/14/28/606111428.db2.gz YAAUHCJTXQWYMZ-CQSZACIVSA-N 2 1 389.529 1.921 20 0 GDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821596899 606111430 /nfs/dbraw/zinc/11/14/30/606111430.db2.gz YAAUHCJTXQWYMZ-CQSZACIVSA-N 2 1 389.529 1.921 20 0 GDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821596899 606111433 /nfs/dbraw/zinc/11/14/33/606111433.db2.gz YAAUHCJTXQWYMZ-CQSZACIVSA-N 2 1 389.529 1.921 20 0 GDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821596899 606111436 /nfs/dbraw/zinc/11/14/36/606111436.db2.gz YAAUHCJTXQWYMZ-CQSZACIVSA-N 2 1 389.529 1.921 20 0 GDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821596644 606111580 /nfs/dbraw/zinc/11/15/80/606111580.db2.gz QRASFTZNPRIAGA-INIZCTEOSA-N 2 1 383.500 1.859 20 0 GDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821596644 606111581 /nfs/dbraw/zinc/11/15/81/606111581.db2.gz QRASFTZNPRIAGA-INIZCTEOSA-N 2 1 383.500 1.859 20 0 GDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821596644 606111583 /nfs/dbraw/zinc/11/15/83/606111583.db2.gz QRASFTZNPRIAGA-INIZCTEOSA-N 2 1 383.500 1.859 20 0 GDADMP C[C@H]1C[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824984159 608170880 /nfs/dbraw/zinc/17/08/80/608170880.db2.gz HDEGBPPTYHQKIE-FXAWDEMLSA-N 2 1 399.543 1.593 20 0 GDADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1-c1nn[nH]n1 ZINC000826202496 609382084 /nfs/dbraw/zinc/38/20/84/609382084.db2.gz BSBJOXHICGPMTD-SFHVURJKSA-N 2 1 394.479 1.732 20 0 GDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000564714441 650765391 /nfs/dbraw/zinc/76/53/91/650765391.db2.gz QRXIMBWLSCKMQC-UHFFFAOYSA-N 2 1 392.257 1.949 20 0 GDADMP CN(C(=O)c1cc(Br)nn1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365289168 645583669 /nfs/dbraw/zinc/58/36/69/645583669.db2.gz XFGLBGRQINACBA-CYBMUJFWSA-N 2 1 384.322 1.423 20 0 GDADMP O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000514926013 648472157 /nfs/dbraw/zinc/47/21/57/648472157.db2.gz MFBRYOSBHQTXOP-ZDUSSCGKSA-N 2 1 375.897 1.785 20 0 GDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3c(F)cncc3Br)C2)CC1 ZINC000631258926 653232592 /nfs/dbraw/zinc/23/25/92/653232592.db2.gz FOMVSIJDSDWUMV-LLVKDONJSA-N 2 1 385.281 1.882 20 0 GDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3c(F)cncc3Br)C2)CC1 ZINC000631258926 653232596 /nfs/dbraw/zinc/23/25/96/653232596.db2.gz FOMVSIJDSDWUMV-LLVKDONJSA-N 2 1 385.281 1.882 20 0 GDADMP [NH3+]C[C@H](NC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C(F)(F)F ZINC000655914203 653993550 /nfs/dbraw/zinc/99/35/50/653993550.db2.gz LFXVWSRRNNURIG-JTQLQIEISA-N 2 1 380.333 1.172 20 0 GDADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662756515 654302249 /nfs/dbraw/zinc/30/22/49/654302249.db2.gz IJMWHBZZHYZJJY-XJKSGUPXSA-N 2 1 383.334 1.591 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000663594749 654344620 /nfs/dbraw/zinc/34/46/20/654344620.db2.gz GRGYHZBWNAZZBI-INIZCTEOSA-N 2 1 397.321 1.469 20 0 GDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000779656882 654765928 /nfs/dbraw/zinc/76/59/28/654765928.db2.gz YGEDIASXZRYROO-ZDUSSCGKSA-N 2 1 388.921 1.968 20 0 GDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000779656882 654765930 /nfs/dbraw/zinc/76/59/30/654765930.db2.gz YGEDIASXZRYROO-ZDUSSCGKSA-N 2 1 388.921 1.968 20 0 GDADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)s1 ZINC000796321191 655210302 /nfs/dbraw/zinc/21/03/02/655210302.db2.gz DRMCQVZTCOYMBD-UHFFFAOYSA-N 2 1 386.465 1.608 20 0 GDADMP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(Br)c2O)C[C@H]1C[NH+](C)C ZINC000870022060 656214407 /nfs/dbraw/zinc/21/44/07/656214407.db2.gz NLWRYXMPSPEMQA-CHWSQXEVSA-N 2 1 384.318 1.966 20 0 GDADMP O=S(=O)([C@@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)N1CCOCC1 ZINC000873208924 656389798 /nfs/dbraw/zinc/38/97/98/656389798.db2.gz YCJIORKZYNJGPH-MRXNPFEDSA-N 2 1 385.555 1.020 20 0 GDADMP O=S(=O)([C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)N1CCOCC1 ZINC000873208924 656389802 /nfs/dbraw/zinc/38/98/02/656389802.db2.gz YCJIORKZYNJGPH-MRXNPFEDSA-N 2 1 385.555 1.020 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923280125 656542292 /nfs/dbraw/zinc/54/22/92/656542292.db2.gz FETBIPQZOWMMKJ-OLZOCXBDSA-N 2 1 390.311 1.520 20 0 GDADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CCCO1 ZINC000923379016 656547966 /nfs/dbraw/zinc/54/79/66/656547966.db2.gz MWIWPJZBJHRSDQ-STQMWFEESA-N 2 1 393.709 1.892 20 0 GDADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CCCO1 ZINC000923379016 656547967 /nfs/dbraw/zinc/54/79/67/656547967.db2.gz MWIWPJZBJHRSDQ-STQMWFEESA-N 2 1 393.709 1.892 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000923413133 656551330 /nfs/dbraw/zinc/55/13/30/656551330.db2.gz CBWAPYZMKMZCLJ-FPCVCCKLSA-N 2 1 396.285 1.349 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000923413133 656551339 /nfs/dbraw/zinc/55/13/39/656551339.db2.gz CBWAPYZMKMZCLJ-FPCVCCKLSA-N 2 1 396.285 1.349 20 0 GDADMP C[NH+](C)C[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000923661533 656580783 /nfs/dbraw/zinc/58/07/83/656580783.db2.gz HEBQDUGRRRQDQV-GJZGRUSLSA-N 2 1 379.448 1.980 20 0 GDADMP COC(=O)c1cc(Cl)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164683890 719602484 /nfs/dbraw/zinc/60/24/84/719602484.db2.gz LDEUPVGLDCKNAM-UHFFFAOYSA-N 2 1 378.864 1.588 20 0 GDADMP COC(=O)c1cc(Cl)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164683890 719602491 /nfs/dbraw/zinc/60/24/91/719602491.db2.gz LDEUPVGLDCKNAM-UHFFFAOYSA-N 2 1 378.864 1.588 20 0 GDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c4C[NH2+]C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738828 720820977 /nfs/dbraw/zinc/82/09/77/720820977.db2.gz GVRASKVZMQIFOI-JTDSTZFVSA-N 2 1 380.500 1.051 20 0 GDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c4C[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738828 720820979 /nfs/dbraw/zinc/82/09/79/720820979.db2.gz GVRASKVZMQIFOI-JTDSTZFVSA-N 2 1 380.500 1.051 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]2C1 ZINC001164859592 720871377 /nfs/dbraw/zinc/87/13/77/720871377.db2.gz UOWXOWJMBDYOIZ-RDTXWAMCSA-N 2 1 380.920 1.554 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4C[NH2+]CC5)C[C@H]3C2)cn1 ZINC001164762134 721074831 /nfs/dbraw/zinc/07/48/31/721074831.db2.gz COMZXFRDMMEBLL-HUUCEWRRSA-N 2 1 387.919 1.468 20 0 GDADMP Clc1nc2c(c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164780191 721389983 /nfs/dbraw/zinc/38/99/83/721389983.db2.gz FLVCJTUAOLQAAB-VXGBXAGGSA-N 2 1 376.917 1.800 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C3C[NH2+]C3)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164808064 721591835 /nfs/dbraw/zinc/59/18/35/721591835.db2.gz PTHURDWRGLUTDD-SFHLNBCPSA-N 2 1 380.496 1.427 20 0 GDADMP c1ccc(OCC[NH+]2CCN(c3ccc(OC4CC[NH2+]CC4)nn3)CC2)cc1 ZINC001165044903 721960331 /nfs/dbraw/zinc/96/03/31/721960331.db2.gz QDMVIDZXRYKLIH-UHFFFAOYSA-N 2 1 383.496 1.808 20 0 GDADMP Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164971306 722158717 /nfs/dbraw/zinc/15/87/17/722158717.db2.gz BQTPOBRSVURIFL-ICSRJNTNSA-N 2 1 394.523 1.594 20 0 GDADMP CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC001571265141 945501735 /nfs/dbraw/zinc/50/17/35/945501735.db2.gz DVUITFVYFIHXEN-GOSISDBHSA-N 2 1 385.516 1.630 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282778 945861107 /nfs/dbraw/zinc/86/11/07/945861107.db2.gz QQZHTUHFZBIUAW-NVXWUHKLSA-N 2 1 387.463 1.181 20 0 GDADMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574918607 948856873 /nfs/dbraw/zinc/85/68/73/948856873.db2.gz OQBLYITZIMQGAN-AWEZNQCLSA-N 2 1 391.545 1.741 20 0 GDADMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574918607 948856895 /nfs/dbraw/zinc/85/68/95/948856895.db2.gz OQBLYITZIMQGAN-AWEZNQCLSA-N 2 1 391.545 1.741 20 0 GDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574707660 949470030 /nfs/dbraw/zinc/47/00/30/949470030.db2.gz PUHHEABXOSYCFG-QAPCUYQASA-N 2 1 385.516 1.676 20 0 GDADMP C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268523 949521535 /nfs/dbraw/zinc/52/15/35/949521535.db2.gz NHMCEQRBGBLNDU-OLZOCXBDSA-N 2 1 389.529 1.207 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574964173 949763602 /nfs/dbraw/zinc/76/36/02/949763602.db2.gz RKXOZTWOSGCOIS-AVGNSLFASA-N 2 1 377.518 1.253 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574964133 949765388 /nfs/dbraw/zinc/76/53/88/949765388.db2.gz QQYIVBPKSMQYLC-JYJNAYRXSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574964133 949765398 /nfs/dbraw/zinc/76/53/98/949765398.db2.gz QQYIVBPKSMQYLC-JYJNAYRXSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574964133 949765408 /nfs/dbraw/zinc/76/54/08/949765408.db2.gz QQYIVBPKSMQYLC-JYJNAYRXSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574731256 950042233 /nfs/dbraw/zinc/04/22/33/950042233.db2.gz CHCJUUUDEIFWFW-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576193005 950283845 /nfs/dbraw/zinc/28/38/45/950283845.db2.gz QQQADSQRWOPNJY-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576193286 950291846 /nfs/dbraw/zinc/29/18/46/950291846.db2.gz SCOGSSNMPDCFKM-STQMWFEESA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576199490 950426776 /nfs/dbraw/zinc/42/67/76/950426776.db2.gz ZRRVUIUGNIFBCL-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204731 950472409 /nfs/dbraw/zinc/47/24/09/950472409.db2.gz BEZQQGGXTJTXGF-MXWWQKGMSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576206108 950562347 /nfs/dbraw/zinc/56/23/47/950562347.db2.gz URROBHMBYYOOQI-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576206108 950562374 /nfs/dbraw/zinc/56/23/74/950562374.db2.gz URROBHMBYYOOQI-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576206108 950562412 /nfs/dbraw/zinc/56/24/12/950562412.db2.gz URROBHMBYYOOQI-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576206269 950564648 /nfs/dbraw/zinc/56/46/48/950564648.db2.gz VWOOFHUKBSJFGJ-KBPBESRZSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576206269 950564667 /nfs/dbraw/zinc/56/46/67/950564667.db2.gz VWOOFHUKBSJFGJ-KBPBESRZSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576206269 950564684 /nfs/dbraw/zinc/56/46/84/950564684.db2.gz VWOOFHUKBSJFGJ-KBPBESRZSA-N 2 1 389.529 1.208 20 0 GDADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574521231 950771787 /nfs/dbraw/zinc/77/17/87/950771787.db2.gz DJXFCPFULCPCHN-CABCVRRESA-N 2 1 385.516 1.724 20 0 GDADMP C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574523919 950842227 /nfs/dbraw/zinc/84/22/27/950842227.db2.gz SETVJRRJOGBQNW-LSDHHAIUSA-N 2 1 385.516 1.724 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575079914 951698752 /nfs/dbraw/zinc/69/87/52/951698752.db2.gz SUZMMAJEXCWQMF-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089041 951745498 /nfs/dbraw/zinc/74/54/98/951745498.db2.gz CRJLJAGBPZSXJW-WOSRLPQWSA-N 2 1 389.479 1.188 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089042 951745968 /nfs/dbraw/zinc/74/59/68/951745968.db2.gz CRJLJAGBPZSXJW-XJKCOSOUSA-N 2 1 389.479 1.188 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575089449 951749832 /nfs/dbraw/zinc/74/98/32/951749832.db2.gz FSQYZMNQMBTRAB-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575108457 951924483 /nfs/dbraw/zinc/92/44/83/951924483.db2.gz MUDBAJZSWQNAGG-OAHLLOKOSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001571234087 953198895 /nfs/dbraw/zinc/19/88/95/953198895.db2.gz MYAHNPSHZIITMK-INIZCTEOSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001571234087 953198898 /nfs/dbraw/zinc/19/88/98/953198898.db2.gz MYAHNPSHZIITMK-INIZCTEOSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001571234087 953198899 /nfs/dbraw/zinc/19/88/99/953198899.db2.gz MYAHNPSHZIITMK-INIZCTEOSA-N 2 1 383.500 1.243 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234325 953201094 /nfs/dbraw/zinc/20/10/94/953201094.db2.gz UKPUZFSMGCDLCH-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234325 953201097 /nfs/dbraw/zinc/20/10/97/953201097.db2.gz UKPUZFSMGCDLCH-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571234325 953201100 /nfs/dbraw/zinc/20/11/00/953201100.db2.gz UKPUZFSMGCDLCH-CRAIPNDOSA-N 2 1 383.500 1.289 20 0 GDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(N4CCOCC4)s3)C2)[C@@H]1C(C)C ZINC000922394514 1126135311 /nfs/dbraw/zinc/13/53/11/1126135311.db2.gz WWLMJSKGUUCQOJ-XSYGEPLQSA-N 2 1 394.585 1.939 20 0 GDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000101576669 530824795 /nfs/dbraw/zinc/82/47/95/530824795.db2.gz HJWZGVDSRJCRSC-INIZCTEOSA-N 2 1 388.965 1.913 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000101576669 530824796 /nfs/dbraw/zinc/82/47/96/530824796.db2.gz HJWZGVDSRJCRSC-INIZCTEOSA-N 2 1 388.965 1.913 20 0 GDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000130219444 531058704 /nfs/dbraw/zinc/05/87/04/531058704.db2.gz MKUHSXFKNNTNBE-SJLPKXTDSA-N 2 1 375.579 1.385 20 0 GDADMP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000261680687 531096032 /nfs/dbraw/zinc/09/60/32/531096032.db2.gz GXSCQGUPAHTLGT-KRWDZBQOSA-N 2 1 386.327 1.708 20 0 GDADMP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000261680687 531096033 /nfs/dbraw/zinc/09/60/33/531096033.db2.gz GXSCQGUPAHTLGT-KRWDZBQOSA-N 2 1 386.327 1.708 20 0 GDADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CCS(=O)(=O)CC1 ZINC000527513552 531327146 /nfs/dbraw/zinc/32/71/46/531327146.db2.gz CYVWYSCOUMYUSE-DOTOQJQBSA-N 2 1 385.599 1.840 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000414670374 531461471 /nfs/dbraw/zinc/46/14/71/531461471.db2.gz DCVCSYOVOAZQQY-CYBMUJFWSA-N 2 1 386.327 1.708 20 0 GDADMP CO[C@@H]1CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000363673786 531498425 /nfs/dbraw/zinc/49/84/25/531498425.db2.gz MBALFFVBHWHIPY-QZTJIDSGSA-N 2 1 376.563 1.403 20 0 GDADMP CO[C@@H]1CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000363673786 531498429 /nfs/dbraw/zinc/49/84/29/531498429.db2.gz MBALFFVBHWHIPY-QZTJIDSGSA-N 2 1 376.563 1.403 20 0 GDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415652588 531508436 /nfs/dbraw/zinc/50/84/36/531508436.db2.gz HNOZMWTWIIAWRK-NHYWBVRUSA-N 2 1 397.317 1.706 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H](C)n1cc(Br)cn1 ZINC000617502660 531661666 /nfs/dbraw/zinc/66/16/66/531661666.db2.gz XYHHTBFMCLWEGI-KBPBESRZSA-N 2 1 388.354 1.985 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H](C)n1cc(Br)cn1 ZINC000617502660 531661672 /nfs/dbraw/zinc/66/16/72/531661672.db2.gz XYHHTBFMCLWEGI-KBPBESRZSA-N 2 1 388.354 1.985 20 0 GDADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@@H]3CNS(C)(=O)=O)sc2C1 ZINC000500543770 531662068 /nfs/dbraw/zinc/66/20/68/531662068.db2.gz FMYGEBJNMBFCIO-ZIAGYGMSSA-N 2 1 386.587 1.717 20 0 GDADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@@H]3CNS(C)(=O)=O)sc2C1 ZINC000500543770 531662072 /nfs/dbraw/zinc/66/20/72/531662072.db2.gz FMYGEBJNMBFCIO-ZIAGYGMSSA-N 2 1 386.587 1.717 20 0 GDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000561036863 531675395 /nfs/dbraw/zinc/67/53/95/531675395.db2.gz HQIFFAVEYFTXPR-AAEUAGOBSA-N 2 1 397.321 1.549 20 0 GDADMP C[N@@H+](C[C@H](O)CNCCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000563010265 531797838 /nfs/dbraw/zinc/79/78/38/531797838.db2.gz DMGOYJNOVMPJLM-GFCCVEGCSA-N 2 1 396.340 1.316 20 0 GDADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000284311703 531947284 /nfs/dbraw/zinc/94/72/84/531947284.db2.gz ZBRLULQJCBRYIY-WMLDXEAASA-N 2 1 384.571 1.021 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)cc1Br ZINC000419833914 531975794 /nfs/dbraw/zinc/97/57/94/531975794.db2.gz ZOQCPZIEQFUEFO-UHFFFAOYSA-N 2 1 397.317 1.660 20 0 GDADMP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737843148 599279366 /nfs/dbraw/zinc/27/93/66/599279366.db2.gz IADYBUQGWQUFQQ-UHFFFAOYSA-N 2 1 384.469 1.474 20 0 GDADMP CC(C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCC(C)CC1 ZINC000736277872 598521362 /nfs/dbraw/zinc/52/13/62/598521362.db2.gz NLNDIFWSKUQOJL-NVXWUHKLSA-N 2 1 387.536 1.451 20 0 GDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820684094 599697666 /nfs/dbraw/zinc/69/76/66/599697666.db2.gz LXBVDRQRKUJQHJ-IYBDPMFKSA-N 2 1 385.516 1.630 20 0 GDADMP C[NH+](C)CC1CC[NH+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000821583383 606318815 /nfs/dbraw/zinc/31/88/15/606318815.db2.gz TUSOHPPUTSNQGD-AWEZNQCLSA-N 2 1 375.502 1.307 20 0 GDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])s1 ZINC000422942332 646101994 /nfs/dbraw/zinc/10/19/94/646101994.db2.gz WNNNYTIGERPJRT-BPLDGKMQSA-N 2 1 375.560 1.621 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1Br ZINC000469482610 647712830 /nfs/dbraw/zinc/71/28/30/647712830.db2.gz VXPGUNNFSQOBDS-MRXNPFEDSA-N 2 1 381.318 1.839 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1Br ZINC000469482610 647712836 /nfs/dbraw/zinc/71/28/36/647712836.db2.gz VXPGUNNFSQOBDS-MRXNPFEDSA-N 2 1 381.318 1.839 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000571298774 651072229 /nfs/dbraw/zinc/07/22/29/651072229.db2.gz QYYJQMOYYWMAEX-LBPRGKRZSA-N 2 1 383.294 1.161 20 0 GDADMP O=C(NCC[C@@H]1CC[NH2+]C1)c1sc2c(c1I)C[NH2+]C2 ZINC000595924550 652427189 /nfs/dbraw/zinc/42/71/89/652427189.db2.gz MHLSSGKCUNJXFD-QMMMGPOBSA-N 2 1 391.278 1.685 20 0 GDADMP CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC000631977244 653283892 /nfs/dbraw/zinc/28/38/92/653283892.db2.gz NDGOWPHGYABJNO-MSOLQXFVSA-N 2 1 375.579 1.529 20 0 GDADMP CN(CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1)S(=O)(=O)c1cccs1 ZINC000638788445 653543698 /nfs/dbraw/zinc/54/36/98/653543698.db2.gz YMGVELMTYFTOOE-UHFFFAOYSA-N 2 1 375.560 1.194 20 0 GDADMP CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835688 653635787 /nfs/dbraw/zinc/63/57/87/653635787.db2.gz ISKODWOHMMGMBS-UHFFFAOYSA-N 2 1 389.363 1.306 20 0 GDADMP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835688 653635791 /nfs/dbraw/zinc/63/57/91/653635791.db2.gz ISKODWOHMMGMBS-UHFFFAOYSA-N 2 1 389.363 1.306 20 0 GDADMP C[NH+](C)C1CCN(CCNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662748231 654301035 /nfs/dbraw/zinc/30/10/35/654301035.db2.gz NCQOWTNVUSCGOL-INIZCTEOSA-N 2 1 383.334 1.591 20 0 GDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)Nc2ccc(Br)cc2)C1 ZINC000779647012 654765913 /nfs/dbraw/zinc/76/59/13/654765913.db2.gz XZYZTUAWPVJCIZ-AWEZNQCLSA-N 2 1 399.289 1.995 20 0 GDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)Nc2ccc(Br)cc2)C1 ZINC000779647012 654765916 /nfs/dbraw/zinc/76/59/16/654765916.db2.gz XZYZTUAWPVJCIZ-AWEZNQCLSA-N 2 1 399.289 1.995 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)COc1ccccc1Br ZINC000849096171 655517273 /nfs/dbraw/zinc/51/72/73/655517273.db2.gz GQPSILICXQYIPL-KGLIPLIRSA-N 2 1 399.333 1.787 20 0 GDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)nn1 ZINC000923375271 656547446 /nfs/dbraw/zinc/54/74/46/656547446.db2.gz IDPIQAIXWOFBDU-HOTGVXAUSA-N 2 1 380.290 1.870 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000923413139 656551309 /nfs/dbraw/zinc/55/13/09/656551309.db2.gz CBWAPYZMKMZCLJ-JJXSEGSLSA-N 2 1 396.285 1.349 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000923413139 656551316 /nfs/dbraw/zinc/55/13/16/656551316.db2.gz CBWAPYZMKMZCLJ-JJXSEGSLSA-N 2 1 396.285 1.349 20 0 GDADMP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)Nc1ccc(Br)cn1)CC2 ZINC000923448237 656553548 /nfs/dbraw/zinc/55/35/48/656553548.db2.gz ACVUIDHJIWCFCD-CYBMUJFWSA-N 2 1 383.290 1.612 20 0 GDADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)s1 ZINC000925488422 656713839 /nfs/dbraw/zinc/71/38/39/656713839.db2.gz CLANTSDJAZDJCF-ORAAPJFESA-N 2 1 383.583 1.907 20 0 GDADMP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(I)cnn2C)CC1 ZINC000894175542 658515939 /nfs/dbraw/zinc/51/59/39/658515939.db2.gz IUHQSRACRPAHLO-GFCCVEGCSA-N 2 1 391.301 1.140 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c2C[NH2+]CC3)c2c1CC[NH2+]C2 ZINC001164685134 719603713 /nfs/dbraw/zinc/60/37/13/719603713.db2.gz RTKBROTWTKBESI-UHFFFAOYSA-N 3 1 375.908 1.447 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c2C[NH2+]CC3)c2c1CC[NH2+]C2 ZINC001164685134 719603724 /nfs/dbraw/zinc/60/37/24/719603724.db2.gz RTKBROTWTKBESI-UHFFFAOYSA-N 3 1 375.908 1.447 20 0 GDADMP COC(=O)c1cc2c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)[nH]cnc-2n1 ZINC001164685971 719608419 /nfs/dbraw/zinc/60/84/19/719608419.db2.gz XKBIJDMVSACOMO-UHFFFAOYSA-N 2 1 383.456 1.368 20 0 GDADMP COC(=O)c1cc2c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)[nH]cnc-2n1 ZINC001164685971 719608433 /nfs/dbraw/zinc/60/84/33/719608433.db2.gz XKBIJDMVSACOMO-UHFFFAOYSA-N 2 1 383.456 1.368 20 0 GDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164810348 720084169 /nfs/dbraw/zinc/08/41/69/720084169.db2.gz KXDCWKDRAITICT-YWZLYKJASA-N 2 1 391.947 1.960 20 0 GDADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N4CCCC4)cc[nH+]3)C2)C1 ZINC001164722829 720267097 /nfs/dbraw/zinc/26/70/97/720267097.db2.gz SIEWRWFXYBNDID-OAQYLSRUSA-N 2 1 387.528 1.347 20 0 GDADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(N4CCCC4)cc[nH+]3)C2)C1 ZINC001164722829 720267101 /nfs/dbraw/zinc/26/71/01/720267101.db2.gz SIEWRWFXYBNDID-OAQYLSRUSA-N 2 1 387.528 1.347 20 0 GDADMP c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ccc(OC3CC[NH2+]CC3)nn2)c1 ZINC001164735903 720446388 /nfs/dbraw/zinc/44/63/88/720446388.db2.gz ZFYAFMBUDGMPLI-MOPGFXCFSA-N 2 1 380.496 1.856 20 0 GDADMP c1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C[NH+]2CCCC2)c1 ZINC001164746125 720803111 /nfs/dbraw/zinc/80/31/11/720803111.db2.gz LVARUSIVFRPCMN-MOPGFXCFSA-N 2 1 380.496 1.809 20 0 GDADMP Cc1nc(N2CCCC2)cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)[nH+]1 ZINC001164752354 720947246 /nfs/dbraw/zinc/94/72/46/720947246.db2.gz XZFNKUNPGYHLQD-UHFFFAOYSA-N 2 1 399.499 1.227 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)C[C@H]3C2)cn1 ZINC001164766812 721172906 /nfs/dbraw/zinc/17/29/06/721172906.db2.gz JGTYHWHUCFVAIB-RTBURBONSA-N 2 1 382.512 1.610 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)C[C@@H]3C2)cn1 ZINC001164762030 721176469 /nfs/dbraw/zinc/17/64/69/721176469.db2.gz BYPOZQGYKLOPGM-MOPGFXCFSA-N 2 1 381.528 1.183 20 0 GDADMP Clc1nc2c(c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164787668 721396393 /nfs/dbraw/zinc/39/63/93/721396393.db2.gz QPAGXKPZGRKMGS-VXGBXAGGSA-N 2 1 376.917 1.800 20 0 GDADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2cncc(N4CC[NH2+]CC4)n2)CC3)c1 ZINC001164953764 722018446 /nfs/dbraw/zinc/01/84/46/722018446.db2.gz YKGNJCMGBLSTAU-UHFFFAOYSA-N 2 1 393.539 1.774 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@H]3C2)c1 ZINC001164981678 722100127 /nfs/dbraw/zinc/10/01/27/722100127.db2.gz LYMQUCKRPRNGGU-GHTZIAJQSA-N 2 1 394.523 1.287 20 0 GDADMP Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(N(C)C)[nH+]1 ZINC001164982746 722103032 /nfs/dbraw/zinc/10/30/32/722103032.db2.gz OHSDZIDQASJDQX-RBUKOAKNSA-N 2 1 382.512 1.973 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164982746 722103033 /nfs/dbraw/zinc/10/30/33/722103033.db2.gz OHSDZIDQASJDQX-RBUKOAKNSA-N 2 1 382.512 1.973 20 0 GDADMP Cc1nc(N(C)C)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164982746 722103034 /nfs/dbraw/zinc/10/30/34/722103034.db2.gz OHSDZIDQASJDQX-RBUKOAKNSA-N 2 1 382.512 1.973 20 0 GDADMP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737837313 945134312 /nfs/dbraw/zinc/13/43/12/945134312.db2.gz DYRJKUPTQISXPY-CYBMUJFWSA-N 2 1 375.502 1.675 20 0 GDADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737837313 945134317 /nfs/dbraw/zinc/13/43/17/945134317.db2.gz DYRJKUPTQISXPY-CYBMUJFWSA-N 2 1 375.502 1.675 20 0 GDADMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574918610 948856183 /nfs/dbraw/zinc/85/61/83/948856183.db2.gz OQEWYYQFYXBESU-MRXNPFEDSA-N 2 1 385.516 1.679 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574926898 949027126 /nfs/dbraw/zinc/02/71/26/949027126.db2.gz ZMNDGAJZHMAERX-LBPRGKRZSA-N 2 1 375.452 1.084 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574704257 949379388 /nfs/dbraw/zinc/37/93/88/949379388.db2.gz BMTBYBGMUWYWQP-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574706753 949463894 /nfs/dbraw/zinc/46/38/94/949463894.db2.gz MRGLSIRQMHDVNX-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574723935 949859837 /nfs/dbraw/zinc/85/98/37/949859837.db2.gz CDONPURKCWNIHT-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001576202584 950430500 /nfs/dbraw/zinc/43/05/00/950430500.db2.gz BNZTZQAKTHAIHG-CHWSQXEVSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576202584 950430510 /nfs/dbraw/zinc/43/05/10/950430510.db2.gz BNZTZQAKTHAIHG-CHWSQXEVSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576202584 950430520 /nfs/dbraw/zinc/43/05/20/950430520.db2.gz BNZTZQAKTHAIHG-CHWSQXEVSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@H](C)C2)C1 ZINC001576202582 950431222 /nfs/dbraw/zinc/43/12/22/950431222.db2.gz BNRQBKJQKJMGGS-FRQCXROJSA-N 2 1 397.527 1.393 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576204716 950471703 /nfs/dbraw/zinc/47/17/03/950471703.db2.gz AYGGZNJVHZOAGI-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576204716 950471717 /nfs/dbraw/zinc/47/17/17/950471717.db2.gz AYGGZNJVHZOAGI-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576204716 950471738 /nfs/dbraw/zinc/47/17/38/950471738.db2.gz AYGGZNJVHZOAGI-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205434 950520111 /nfs/dbraw/zinc/52/01/11/950520111.db2.gz IXVTWDCHIFYGLO-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205434 950520125 /nfs/dbraw/zinc/52/01/25/950520125.db2.gz IXVTWDCHIFYGLO-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205434 950520139 /nfs/dbraw/zinc/52/01/39/950520139.db2.gz IXVTWDCHIFYGLO-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001574774865 951004941 /nfs/dbraw/zinc/00/49/41/951004941.db2.gz FLOHQYBFYPAIDN-SUMWQHHRSA-N 2 1 391.495 1.529 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575089702 951753591 /nfs/dbraw/zinc/75/35/91/951753591.db2.gz HUBGTPVNTWPKDQ-LRDDRELGSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575098076 951819289 /nfs/dbraw/zinc/81/92/89/951819289.db2.gz AGSXYDCXFHWMCG-GXTWGEPZSA-N 2 1 377.518 1.349 20 0 GDADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100468 951843740 /nfs/dbraw/zinc/84/37/40/951843740.db2.gz SNZCTRQXFOZURQ-OLZOCXBDSA-N 2 1 377.518 1.112 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101164 951855845 /nfs/dbraw/zinc/85/58/45/951855845.db2.gz AMAGIWLVLJSRKW-DYVFJYSZSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575101922 951863878 /nfs/dbraw/zinc/86/38/78/951863878.db2.gz KAACFCRTXKULGC-LRDDRELGSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575101727 951864328 /nfs/dbraw/zinc/86/43/28/951864328.db2.gz IXBKSFSOTURFSE-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP Cc1c[nH+]cn1CC(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170052 952782650 /nfs/dbraw/zinc/78/26/50/952782650.db2.gz RLWVYXNTJUUJTC-UHFFFAOYSA-N 2 1 380.456 1.056 20 0 GDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571234394 953201241 /nfs/dbraw/zinc/20/12/41/953201241.db2.gz WCJJBJOXIOSTGN-GOSISDBHSA-N 2 1 383.500 1.384 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc(SC)s1 ZINC000527101948 531314082 /nfs/dbraw/zinc/31/40/82/531314082.db2.gz XHUNLGSYGAPURG-ZDUSSCGKSA-N 2 1 386.591 1.818 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](CCO)Cc2cc(Br)cs2)C1 ZINC000414763270 531462457 /nfs/dbraw/zinc/46/24/57/531462457.db2.gz XGFUIMNCMCDHQJ-LBPRGKRZSA-N 2 1 390.347 1.502 20 0 GDADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000415366547 531480175 /nfs/dbraw/zinc/48/01/75/531480175.db2.gz WJQYWUJYMLEWCB-AWEZNQCLSA-N 2 1 397.317 1.660 20 0 GDADMP CCC[NH2+]CCNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415789267 531531855 /nfs/dbraw/zinc/53/18/55/531531855.db2.gz NYLZVAXXJXYWIL-UHFFFAOYSA-N 2 1 399.337 1.717 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000415826197 531537117 /nfs/dbraw/zinc/53/71/17/531537117.db2.gz AURHLNYXQBAFOE-AAEUAGOBSA-N 2 1 397.317 1.693 20 0 GDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280801522 531542984 /nfs/dbraw/zinc/54/29/84/531542984.db2.gz UVEVFFPTVYFBKP-SNVBAGLBSA-N 2 1 387.303 1.952 20 0 GDADMP CC(C)[C@@H]([NH3+])CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415794729 531533247 /nfs/dbraw/zinc/53/32/47/531533247.db2.gz VZQSOADAOJCDBU-ZDUSSCGKSA-N 2 1 399.337 1.701 20 0 GDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000666239415 531755178 /nfs/dbraw/zinc/75/51/78/531755178.db2.gz IIVZGVPEOFRILW-ZDUSSCGKSA-N 2 1 390.347 1.916 20 0 GDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000666239415 531755186 /nfs/dbraw/zinc/75/51/86/531755186.db2.gz IIVZGVPEOFRILW-ZDUSSCGKSA-N 2 1 390.347 1.916 20 0 GDADMP COCC[N@@H+](C)C[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641221805 531788107 /nfs/dbraw/zinc/78/81/07/531788107.db2.gz IOFZJUCDUSGMGY-HOCLYGCPSA-N 2 1 398.305 1.028 20 0 GDADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000430954712 532258813 /nfs/dbraw/zinc/25/88/13/532258813.db2.gz KGJWIANFZCLQIU-GFCCVEGCSA-N 2 1 397.317 1.563 20 0 GDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736225335 598523406 /nfs/dbraw/zinc/52/34/06/598523406.db2.gz BNMXSDGCOQRQJO-OWCLPIDISA-N 2 1 387.536 1.453 20 0 GDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736859397 598618573 /nfs/dbraw/zinc/61/85/73/598618573.db2.gz GXRNBWYVKOENHJ-GOSISDBHSA-N 2 1 385.516 1.347 20 0 GDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736859397 598618575 /nfs/dbraw/zinc/61/85/75/598618575.db2.gz GXRNBWYVKOENHJ-GOSISDBHSA-N 2 1 385.516 1.347 20 0 GDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716647 650809790 /nfs/dbraw/zinc/80/97/90/650809790.db2.gz KIMFZIBXJJUBBC-DZGCQCFKSA-N 2 1 389.309 1.784 20 0 GDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716647 650809792 /nfs/dbraw/zinc/80/97/92/650809792.db2.gz KIMFZIBXJJUBBC-DZGCQCFKSA-N 2 1 389.309 1.784 20 0 GDADMP CN(C(=O)c1cc(Br)nn1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365289169 645583560 /nfs/dbraw/zinc/58/35/60/645583560.db2.gz XFGLBGRQINACBA-ZDUSSCGKSA-N 2 1 384.322 1.423 20 0 GDADMP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000420404802 645942696 /nfs/dbraw/zinc/94/26/96/645942696.db2.gz NVTCCYLZUYVDHZ-UHFFFAOYSA-N 2 1 389.237 1.015 20 0 GDADMP Cc1ccc(C[C@@H](CO)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1Br ZINC000572039569 651088816 /nfs/dbraw/zinc/08/88/16/651088816.db2.gz QQUGPRKPYDQROX-WBVHZDCISA-N 2 1 385.346 1.953 20 0 GDADMP Cc1ccc(C[C@@H](CO)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1Br ZINC000572039569 651088821 /nfs/dbraw/zinc/08/88/21/651088821.db2.gz QQUGPRKPYDQROX-WBVHZDCISA-N 2 1 385.346 1.953 20 0 GDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000572379631 651095622 /nfs/dbraw/zinc/09/56/22/651095622.db2.gz MBMVDIWZMDLTEY-DGCLKSJQSA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000572379631 651095624 /nfs/dbraw/zinc/09/56/24/651095624.db2.gz MBMVDIWZMDLTEY-DGCLKSJQSA-N 2 1 381.274 1.022 20 0 GDADMP C[NH2+][C@H]1CCCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595919150 652426502 /nfs/dbraw/zinc/42/65/02/652426502.db2.gz JOZSVQOZIGNDMS-QMMMGPOBSA-N 2 1 391.278 1.780 20 0 GDADMP C[C@@H]1[NH2+]CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)[C@H]1C ZINC000595952101 652429591 /nfs/dbraw/zinc/42/95/91/652429591.db2.gz WVAGFLOYJAYEML-YUMQZZPRSA-N 2 1 391.278 1.778 20 0 GDADMP C[C@@]1(NC(=O)c2sc3c(c2I)C[NH2+]C3)CC[NH2+]C1 ZINC000595984167 652431640 /nfs/dbraw/zinc/43/16/40/652431640.db2.gz AHBCYARLEJMCIG-GFCCVEGCSA-N 2 1 377.251 1.438 20 0 GDADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000602596054 652642687 /nfs/dbraw/zinc/64/26/87/652642687.db2.gz MRDZWXQNNVQWQV-NKWVEPMBSA-N 2 1 377.251 1.518 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@@H]1CCCC[C@@H]1OC ZINC000647897668 653636891 /nfs/dbraw/zinc/63/68/91/653636891.db2.gz INMJGQKYLBBELH-OKZBNKHCSA-N 2 1 375.579 1.622 20 0 GDADMP C[NH+](C)C1(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)CCOCC1 ZINC000662459836 654293886 /nfs/dbraw/zinc/29/38/86/654293886.db2.gz MLUNAFXRADGAJC-UHFFFAOYSA-N 2 1 388.331 1.954 20 0 GDADMP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000779605348 654764789 /nfs/dbraw/zinc/76/47/89/654764789.db2.gz XYCNSIPJVRWHBF-KRWDZBQOSA-N 2 1 399.329 1.642 20 0 GDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nn3cc(Br)cn3)CC2)CC1 ZINC000847604506 655472992 /nfs/dbraw/zinc/47/29/92/655472992.db2.gz MUSIWJJOPKDHAY-UHFFFAOYSA-N 2 1 384.322 1.912 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)COc1ccccc1Br ZINC000849096173 655517295 /nfs/dbraw/zinc/51/72/95/655517295.db2.gz GQPSILICXQYIPL-ZIAGYGMSSA-N 2 1 399.333 1.787 20 0 GDADMP CCOP(=O)(OCC)[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000851882962 655602245 /nfs/dbraw/zinc/60/22/45/655602245.db2.gz MGZLTWRYNUOLSL-BBWFWOEESA-N 2 1 377.466 1.529 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1cn(C)nc1Br ZINC000923201759 656532025 /nfs/dbraw/zinc/53/20/25/656532025.db2.gz ULRDMBYDISXCDM-LBPRGKRZSA-N 2 1 389.342 1.254 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1cn(C)nc1Br ZINC000923201759 656532029 /nfs/dbraw/zinc/53/20/29/656532029.db2.gz ULRDMBYDISXCDM-LBPRGKRZSA-N 2 1 389.342 1.254 20 0 GDADMP O=C([C@H]1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1)N1CC[NH2+]CC1 ZINC000923281455 656542484 /nfs/dbraw/zinc/54/24/84/656542484.db2.gz FTOYBDDWJZUKTL-DOTOQJQBSA-N 2 1 396.329 1.626 20 0 GDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)nn1 ZINC000923375270 656547341 /nfs/dbraw/zinc/54/73/41/656547341.db2.gz IDPIQAIXWOFBDU-CVEARBPZSA-N 2 1 380.290 1.870 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923414159 656551356 /nfs/dbraw/zinc/55/13/56/656551356.db2.gz KNHCHHLGYWEKRC-SRMUXQRQSA-N 2 1 386.279 1.894 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923414159 656551361 /nfs/dbraw/zinc/55/13/61/656551361.db2.gz KNHCHHLGYWEKRC-SRMUXQRQSA-N 2 1 386.279 1.894 20 0 GDADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923464686 656554041 /nfs/dbraw/zinc/55/40/41/656554041.db2.gz RBUJITGGVGVTKR-CQSZACIVSA-N 2 1 383.334 1.291 20 0 GDADMP COCC[N@@H+](C[C@H](O)c1cc(Br)no1)CC1CC[NH+](C)CC1 ZINC000879127532 656776636 /nfs/dbraw/zinc/77/66/36/656776636.db2.gz YBCSVVLOWUMCKP-ZDUSSCGKSA-N 2 1 376.295 1.761 20 0 GDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)CC2)C1 ZINC000884236611 657338948 /nfs/dbraw/zinc/33/89/48/657338948.db2.gz ZSQFYLOGZZMUDH-IRXDYDNUSA-N 2 1 395.345 1.687 20 0 GDADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)C1 ZINC000904334573 659399255 /nfs/dbraw/zinc/39/92/55/659399255.db2.gz ZPNLTJVDQIKNKU-XBXGTLAGSA-N 2 1 388.331 1.493 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1Br ZINC000906703839 659573411 /nfs/dbraw/zinc/57/34/11/659573411.db2.gz CAJBANKWDJPAPJ-CQSZACIVSA-N 2 1 397.317 1.563 20 0 GDADMP [NH3+][C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1I ZINC000911857589 660019716 /nfs/dbraw/zinc/01/97/16/660019716.db2.gz YXFYCEXNPAYTCP-SUNKGSAMSA-N 2 1 385.249 1.644 20 0 GDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001164805870 720070425 /nfs/dbraw/zinc/07/04/25/720070425.db2.gz AHPQAQXALGYYBB-MGPUTAFESA-N 2 1 391.947 1.960 20 0 GDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164810346 720083627 /nfs/dbraw/zinc/08/36/27/720083627.db2.gz KXDCWKDRAITICT-MGPUTAFESA-N 2 1 391.947 1.960 20 0 GDADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(OC3CC[NH+](C)CC3)ccn2)C1 ZINC001164736371 720531547 /nfs/dbraw/zinc/53/15/47/720531547.db2.gz XCBZYVQDKVFZAH-KRWDZBQOSA-N 2 1 384.528 1.949 20 0 GDADMP c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5c4C[NH2+]C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738826 720820960 /nfs/dbraw/zinc/82/09/60/720820960.db2.gz GVRASKVZMQIFOI-FRQCXROJSA-N 2 1 380.500 1.051 20 0 GDADMP c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5c4C[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738826 720820963 /nfs/dbraw/zinc/82/09/63/720820963.db2.gz GVRASKVZMQIFOI-FRQCXROJSA-N 2 1 380.500 1.051 20 0 GDADMP Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C[NH3+])c1 ZINC001164743591 720841339 /nfs/dbraw/zinc/84/13/39/720841339.db2.gz JNYNFXCSYGTZAF-XUVXKRRUSA-N 2 1 381.528 1.820 20 0 GDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cncc(N3CC[NH2+]CC3)n1)[C@@H]2C ZINC001164863181 720967579 /nfs/dbraw/zinc/96/75/79/720967579.db2.gz YNYHFNNAZRWFFK-MRXNPFEDSA-N 2 1 384.532 1.504 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164770778 721206016 /nfs/dbraw/zinc/20/60/16/721206016.db2.gz OJNIKANRXBYKGL-QZTJIDSGSA-N 2 1 397.527 1.299 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164770775 721206540 /nfs/dbraw/zinc/20/65/40/721206540.db2.gz OJNIKANRXBYKGL-MSOLQXFVSA-N 2 1 397.527 1.299 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[NH2+]C3)[C@@H]2CCCO[C@H]12 ZINC001164809600 721533890 /nfs/dbraw/zinc/53/38/90/721533890.db2.gz VRJPTKKOBDFDEX-SJBKTWHCSA-N 2 1 379.508 1.991 20 0 GDADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164923984 721856717 /nfs/dbraw/zinc/85/67/17/721856717.db2.gz BIBFLMLQBULZJV-IAGOWNOFSA-N 2 1 378.952 1.812 20 0 GDADMP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164923984 721856719 /nfs/dbraw/zinc/85/67/19/721856719.db2.gz BIBFLMLQBULZJV-IAGOWNOFSA-N 2 1 378.952 1.812 20 0 GDADMP [NH3+]C1CCN(c2ccnc(N3CC[NH+](CCOc4ccccc4)CC3)n2)CC1 ZINC001165044048 721957753 /nfs/dbraw/zinc/95/77/53/721957753.db2.gz DTFZWCAEXLTQLP-UHFFFAOYSA-N 2 1 382.512 1.605 20 0 GDADMP Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164971301 722158708 /nfs/dbraw/zinc/15/87/08/722158708.db2.gz BQTPOBRSVURIFL-AZUAARDMSA-N 2 1 394.523 1.594 20 0 GDADMP COC1(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOCC1 ZINC000826143585 947449241 /nfs/dbraw/zinc/44/92/41/947449241.db2.gz HAMSTBZDTGUODN-UHFFFAOYSA-N 2 1 386.500 1.616 20 0 GDADMP C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCCC1 ZINC001573715213 948485743 /nfs/dbraw/zinc/48/57/43/948485743.db2.gz RCDVBVFYPYNTRT-INIZCTEOSA-N 2 1 385.516 1.679 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926022 948978946 /nfs/dbraw/zinc/97/89/46/948978946.db2.gz GNGYXRRBKMUQEW-CYBMUJFWSA-N 2 1 391.495 1.578 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574926174 948987245 /nfs/dbraw/zinc/98/72/45/948987245.db2.gz JXJYDEIGTCHATR-GFCCVEGCSA-N 2 1 375.452 1.084 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574704162 949370290 /nfs/dbraw/zinc/37/02/90/949370290.db2.gz ABMSWYZUJNCLDC-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575270435 949588482 /nfs/dbraw/zinc/58/84/82/949588482.db2.gz ZQQIDBYCYKCUDP-CABCVRRESA-N 2 1 383.500 1.145 20 0 GDADMP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574715442 949651518 /nfs/dbraw/zinc/65/15/18/949651518.db2.gz CPKCUPONUMTGMW-CRAIPNDOSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575878340 949680939 /nfs/dbraw/zinc/68/09/39/949680939.db2.gz OOWQVKTZTZCIOH-YJBOKZPZSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575878340 949680947 /nfs/dbraw/zinc/68/09/47/949680947.db2.gz OOWQVKTZTZCIOH-YJBOKZPZSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192236 950231457 /nfs/dbraw/zinc/23/14/57/950231457.db2.gz LCDALJBCOFKICP-DOTOQJQBSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192236 950231474 /nfs/dbraw/zinc/23/14/74/950231474.db2.gz LCDALJBCOFKICP-DOTOQJQBSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192236 950231493 /nfs/dbraw/zinc/23/14/93/950231493.db2.gz LCDALJBCOFKICP-DOTOQJQBSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192236 950231510 /nfs/dbraw/zinc/23/15/10/950231510.db2.gz LCDALJBCOFKICP-DOTOQJQBSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001576196650 950365624 /nfs/dbraw/zinc/36/56/24/950365624.db2.gz FNABIKVYSMMDQS-OAHLLOKOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576197516 950396789 /nfs/dbraw/zinc/39/67/89/950396789.db2.gz PDKVCNWVUGGTCX-ZFWWWQNUSA-N 2 1 387.463 1.038 20 0 GDADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576205949 950547523 /nfs/dbraw/zinc/54/75/23/950547523.db2.gz RNVDJVMLJGDSQB-QAPCUYQASA-N 2 1 385.516 1.439 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576206316 950573655 /nfs/dbraw/zinc/57/36/55/950573655.db2.gz WMBNKWZKSGUIIZ-DOTOQJQBSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576206316 950573674 /nfs/dbraw/zinc/57/36/74/950573674.db2.gz WMBNKWZKSGUIIZ-DOTOQJQBSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576206316 950573700 /nfs/dbraw/zinc/57/37/00/950573700.db2.gz WMBNKWZKSGUIIZ-DOTOQJQBSA-N 2 1 383.500 1.289 20 0 GDADMP CC1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001576207357 950595034 /nfs/dbraw/zinc/59/50/34/950595034.db2.gz FUEPJTXVFWUOLR-UHFFFAOYSA-N 2 1 389.479 1.286 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576214082 950662848 /nfs/dbraw/zinc/66/28/48/950662848.db2.gz MOSVVBRRFNWQHX-BPLDGKMQSA-N 2 1 387.463 1.084 20 0 GDADMP C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574523472 950818942 /nfs/dbraw/zinc/81/89/42/950818942.db2.gz NWGUFBWTYFTSAC-QWHCGFSZSA-N 2 1 391.545 1.785 20 0 GDADMP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[NH+](C)C1CCC1 ZINC001574771832 950941430 /nfs/dbraw/zinc/94/14/30/950941430.db2.gz KYXPMUNCWJNHMZ-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[NH+](C)C1CCC1 ZINC001574771832 950941446 /nfs/dbraw/zinc/94/14/46/950941446.db2.gz KYXPMUNCWJNHMZ-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001574771832 950941462 /nfs/dbraw/zinc/94/14/62/950941462.db2.gz KYXPMUNCWJNHMZ-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574771832 950941489 /nfs/dbraw/zinc/94/14/89/950941489.db2.gz KYXPMUNCWJNHMZ-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091493 951776538 /nfs/dbraw/zinc/77/65/38/951776538.db2.gz SPAFCKCHVADPNC-GUYCJALGSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120504 952504945 /nfs/dbraw/zinc/50/49/45/952504945.db2.gz MMCUNLVGPMFNEZ-RWMBFGLXSA-N 2 1 375.502 1.007 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234311 953200364 /nfs/dbraw/zinc/20/03/64/953200364.db2.gz UCVDWXOKNLABOE-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234311 953200365 /nfs/dbraw/zinc/20/03/65/953200365.db2.gz UCVDWXOKNLABOE-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571234311 953200367 /nfs/dbraw/zinc/20/03/67/953200367.db2.gz UCVDWXOKNLABOE-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001571234598 953203782 /nfs/dbraw/zinc/20/37/82/953203782.db2.gz CVKHNANJDLJYEX-QGZVFWFLSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571234686 953204957 /nfs/dbraw/zinc/20/49/57/953204957.db2.gz FUXXLGLTCRCNGV-HZPDHXFCSA-N 2 1 383.500 1.147 20 0 GDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000101576667 530825164 /nfs/dbraw/zinc/82/51/64/530825164.db2.gz HJWZGVDSRJCRSC-MRXNPFEDSA-N 2 1 388.965 1.913 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000101576667 530825165 /nfs/dbraw/zinc/82/51/65/530825165.db2.gz HJWZGVDSRJCRSC-MRXNPFEDSA-N 2 1 388.965 1.913 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1sccc1OC ZINC000157443187 531206584 /nfs/dbraw/zinc/20/65/84/531206584.db2.gz UDBJVUZJLVLLQK-CQSZACIVSA-N 2 1 375.560 1.793 20 0 GDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415544550 531492712 /nfs/dbraw/zinc/49/27/12/531492712.db2.gz UGTIFYZGURVNLX-VXGBXAGGSA-N 2 1 397.317 1.645 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCC(C)(C)[NH3+])CC1 ZINC000415782346 531530333 /nfs/dbraw/zinc/53/03/33/531530333.db2.gz DWKWNKPGMLHLSQ-UHFFFAOYSA-N 2 1 385.310 1.455 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Br ZINC000415813727 531536146 /nfs/dbraw/zinc/53/61/46/531536146.db2.gz GWZBCZNRSZSKSO-ABAIWWIYSA-N 2 1 395.301 1.270 20 0 GDADMP C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[NH2+]CCO1 ZINC000638131265 531644107 /nfs/dbraw/zinc/64/41/07/531644107.db2.gz LBJFWYOMACIJTO-GOSISDBHSA-N 2 1 396.329 1.908 20 0 GDADMP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178564 531686048 /nfs/dbraw/zinc/68/60/48/531686048.db2.gz MKQAGEOFLJAJQM-FZMZJTMJSA-N 2 1 390.347 1.869 20 0 GDADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178564 531686061 /nfs/dbraw/zinc/68/60/61/531686061.db2.gz MKQAGEOFLJAJQM-FZMZJTMJSA-N 2 1 390.347 1.869 20 0 GDADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641223225 531788568 /nfs/dbraw/zinc/78/85/68/531788568.db2.gz QTQQNRCIYFBEBS-GDBMZVCRSA-N 2 1 382.306 1.790 20 0 GDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000419793700 531971548 /nfs/dbraw/zinc/97/15/48/531971548.db2.gz JPEDMAGESPSVSE-GFCCVEGCSA-N 2 1 390.347 1.918 20 0 GDADMP CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000581239205 532077966 /nfs/dbraw/zinc/07/79/66/532077966.db2.gz RIZYKDYALGEYRC-UHFFFAOYSA-N 2 1 385.306 1.565 20 0 GDADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359893811 212122272 /nfs/dbraw/zinc/12/22/72/212122272.db2.gz CZEMRLGLULFCDJ-ICSRJNTNSA-N 2 1 388.556 1.995 20 0 GDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000736145157 598356644 /nfs/dbraw/zinc/35/66/44/598356644.db2.gz BOYWVLIJGAPTCO-HNNXBMFYSA-N 2 1 383.500 1.644 20 0 GDADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735857308 598525540 /nfs/dbraw/zinc/52/55/40/598525540.db2.gz SXWISQPCYUCLNF-KRWDZBQOSA-N 2 1 395.515 1.735 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000825848829 607525520 /nfs/dbraw/zinc/52/55/20/607525520.db2.gz GCVIUQDXGAGGLB-RYRKJORJSA-N 2 1 381.484 1.803 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000826330882 607544761 /nfs/dbraw/zinc/54/47/61/607544761.db2.gz LYLMFNQAYHUMCK-UHFFFAOYSA-N 2 1 392.471 1.918 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000826330882 607544762 /nfs/dbraw/zinc/54/47/62/607544762.db2.gz LYLMFNQAYHUMCK-UHFFFAOYSA-N 2 1 392.471 1.918 20 0 GDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@H](C)C1 ZINC000821254946 606184235 /nfs/dbraw/zinc/18/42/35/606184235.db2.gz QPHMPXKFEPJLEB-OCCSQVGLSA-N 2 1 377.518 1.919 20 0 GDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@H](C)C1 ZINC000821254946 606184236 /nfs/dbraw/zinc/18/42/36/606184236.db2.gz QPHMPXKFEPJLEB-OCCSQVGLSA-N 2 1 377.518 1.919 20 0 GDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@H](C)C1 ZINC000821254946 606184237 /nfs/dbraw/zinc/18/42/37/606184237.db2.gz QPHMPXKFEPJLEB-OCCSQVGLSA-N 2 1 377.518 1.919 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821267079 606544194 /nfs/dbraw/zinc/54/41/94/606544194.db2.gz JUQGHGORMBUTRU-CYBMUJFWSA-N 2 1 377.518 1.416 20 0 GDADMP Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nc(C)[nH+]1 ZINC000822207454 606859097 /nfs/dbraw/zinc/85/90/97/606859097.db2.gz XEYMRVGYVRROKX-ROUUACIJSA-N 2 1 394.483 1.566 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000822505940 607003096 /nfs/dbraw/zinc/00/30/96/607003096.db2.gz ZJOBYIBMKDCXBD-ZWKOTPCHSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000822505940 607003098 /nfs/dbraw/zinc/00/30/98/607003098.db2.gz ZJOBYIBMKDCXBD-ZWKOTPCHSA-N 2 1 393.499 1.807 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000822505940 607003100 /nfs/dbraw/zinc/00/31/00/607003100.db2.gz ZJOBYIBMKDCXBD-ZWKOTPCHSA-N 2 1 393.499 1.807 20 0 GDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000825594008 608281574 /nfs/dbraw/zinc/28/15/74/608281574.db2.gz HKHSFCBOWZLRRA-LPHOPBHVSA-N 2 1 388.516 1.972 20 0 GDADMP COCC[NH+]1CCC([NH2+]CCNC(=O)c2cccc(Br)c2)CC1 ZINC000540182855 650350899 /nfs/dbraw/zinc/35/08/99/650350899.db2.gz UIGCNYDJOMPRAQ-UHFFFAOYSA-N 2 1 384.318 1.879 20 0 GDADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)COc1cc(F)cc(Br)c1 ZINC000566232957 650836634 /nfs/dbraw/zinc/83/66/34/650836634.db2.gz FNUWWIJLYDXQCZ-LSDHHAIUSA-N 2 1 391.281 1.374 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1Br ZINC000415538313 645897908 /nfs/dbraw/zinc/89/79/08/645897908.db2.gz JGNKPVIVVUSLLK-AWEZNQCLSA-N 2 1 383.290 1.303 20 0 GDADMP COc1sc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Br ZINC000470004133 647719067 /nfs/dbraw/zinc/71/90/67/647719067.db2.gz WCXNXRWFSVLZFY-SNVBAGLBSA-N 2 1 376.320 1.806 20 0 GDADMP COc1sc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Br ZINC000470004133 647719070 /nfs/dbraw/zinc/71/90/70/647719070.db2.gz WCXNXRWFSVLZFY-SNVBAGLBSA-N 2 1 376.320 1.806 20 0 GDADMP C[C@@H](C[NH2+]Cc1ncc(I)s1)CN1CC[NH+](C)CC1 ZINC000512135763 648397573 /nfs/dbraw/zinc/39/75/73/648397573.db2.gz OLKVLLPGZUSJDW-NSHDSACASA-N 2 1 394.326 1.721 20 0 GDADMP [NH3+]CC1(NC(=O)c2sc3c(c2I)C[NH2+]C3)CCCC1 ZINC000595924590 652427253 /nfs/dbraw/zinc/42/72/53/652427253.db2.gz NNFVHCFUVBWQKF-UHFFFAOYSA-N 2 1 391.278 1.957 20 0 GDADMP C[S@](=O)C1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC[NH2+]CC1 ZINC000602472803 652638973 /nfs/dbraw/zinc/63/89/73/652638973.db2.gz IXEKXUWVRWRWPW-VWLOTQADSA-N 2 1 381.567 1.675 20 0 GDADMP C[NH2+]CCOCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000629531061 653168776 /nfs/dbraw/zinc/16/87/76/653168776.db2.gz YYDUOMXDHYXBPW-CYBMUJFWSA-N 2 1 377.304 1.493 20 0 GDADMP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000629535924 653169849 /nfs/dbraw/zinc/16/98/49/653169849.db2.gz GXKMMOIMYDOQJG-DOTOQJQBSA-N 2 1 393.329 1.682 20 0 GDADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000629559847 653171788 /nfs/dbraw/zinc/17/17/88/653171788.db2.gz NZCKXUYTHHRHBN-HNNXBMFYSA-N 2 1 389.587 1.367 20 0 GDADMP C[NH+](C)C[C@@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000637473257 653529357 /nfs/dbraw/zinc/52/93/57/653529357.db2.gz JSZBYSKHEXUJBD-WBVHZDCISA-N 2 1 389.327 1.962 20 0 GDADMP C[NH+]1CCN([C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655910602 653993246 /nfs/dbraw/zinc/99/32/46/653993246.db2.gz ZYSJUQGRYASWEL-WCQYABFASA-N 2 1 379.452 1.225 20 0 GDADMP O=C(CC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000863563907 655875664 /nfs/dbraw/zinc/87/56/64/655875664.db2.gz QWIVYFGTMQDANP-NVXWUHKLSA-N 2 1 382.302 1.379 20 0 GDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2)C1 ZINC000870888821 656252910 /nfs/dbraw/zinc/25/29/10/656252910.db2.gz QPQOWSYOYJHDTK-IAGOWNOFSA-N 2 1 395.345 1.687 20 0 GDADMP C[NH+](C)C[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000923661585 656581259 /nfs/dbraw/zinc/58/12/59/656581259.db2.gz HEBQDUGRRRQDQV-LSDHHAIUSA-N 2 1 379.448 1.980 20 0 GDADMP C[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000878645475 656739664 /nfs/dbraw/zinc/73/96/64/656739664.db2.gz MJFNULQKZFKBRA-HNNXBMFYSA-N 2 1 388.281 1.422 20 0 GDADMP CC[N@@H+](CCNC(=O)N1CCc2sc(C[NH3+])nc2C1)CCC(F)(F)F ZINC000891856824 658277630 /nfs/dbraw/zinc/27/76/30/658277630.db2.gz LJEIBJAYSZMIMP-UHFFFAOYSA-N 2 1 379.452 1.944 20 0 GDADMP Cn1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(I)n1 ZINC000894261438 658530324 /nfs/dbraw/zinc/53/03/24/658530324.db2.gz TWPWASJCVSZDKW-ZDUSSCGKSA-N 2 1 392.285 1.351 20 0 GDADMP [NH3+]CCn1cc(Br)cc(C(=O)N2CC[NH2+]Cc3ccccc32)c1=O ZINC000911762233 660018047 /nfs/dbraw/zinc/01/80/47/660018047.db2.gz YJSDKBISXZILIX-UHFFFAOYSA-N 2 1 391.269 1.320 20 0 GDADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCCO[C@]3(C[NH2+]CCOC3)C2)n1 ZINC001164424520 718915435 /nfs/dbraw/zinc/91/54/35/718915435.db2.gz NXKKDFKWINWVLL-LJQANCHMSA-N 2 1 380.920 1.916 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2cccc(N3CCC([NH3+])CC3)n2)c2c1CC[NH2+]C2 ZINC001164679547 719633414 /nfs/dbraw/zinc/63/34/14/719633414.db2.gz GDSWHXUHDIKEEH-UHFFFAOYSA-N 3 1 383.544 1.681 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2cccc(N3CCC([NH3+])CC3)n2)c2c1CC[NH2+]C2 ZINC001164679547 719633420 /nfs/dbraw/zinc/63/34/20/719633420.db2.gz GDSWHXUHDIKEEH-UHFFFAOYSA-N 3 1 383.544 1.681 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(OCC3CC[NH2+]CC3)nn2)c2c1CC[NH2+]C2 ZINC001164679727 719647861 /nfs/dbraw/zinc/64/78/61/719647861.db2.gz KOSJRJVYSALNMY-UHFFFAOYSA-N 3 1 399.543 1.527 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(OCC3CC[NH2+]CC3)nn2)c2c1CC[NH2+]C2 ZINC001164679727 719647865 /nfs/dbraw/zinc/64/78/65/719647865.db2.gz KOSJRJVYSALNMY-UHFFFAOYSA-N 3 1 399.543 1.527 20 0 GDADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)CC[C@@H]21 ZINC001164834987 720549747 /nfs/dbraw/zinc/54/97/47/720549747.db2.gz GKXNDJOEMCZTIA-IKGGRYGDSA-N 2 1 396.495 1.987 20 0 GDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)CC[C@@H]21 ZINC001164834987 720549758 /nfs/dbraw/zinc/54/97/58/720549758.db2.gz GKXNDJOEMCZTIA-IKGGRYGDSA-N 2 1 396.495 1.987 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)n2)CC1 ZINC001164843890 720740526 /nfs/dbraw/zinc/74/05/26/720740526.db2.gz MHDGCWKHTGQTIW-UHFFFAOYSA-N 2 1 396.543 1.477 20 0 GDADMP c1ncn(C[C@H]2C[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164752024 720861157 /nfs/dbraw/zinc/86/11/57/720861157.db2.gz SNTOEYPXIJIDSZ-YVWKXTFCSA-N 2 1 394.527 1.134 20 0 GDADMP Cc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164866464 721196899 /nfs/dbraw/zinc/19/68/99/721196899.db2.gz AYFMZTWXZCYFBA-RBUKOAKNSA-N 2 1 380.496 1.347 20 0 GDADMP O=C(c1cccnc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164781736 721417682 /nfs/dbraw/zinc/41/76/82/721417682.db2.gz DKRXZLSSNKWRNN-IYBDPMFKSA-N 2 1 398.536 1.152 20 0 GDADMP O=C(c1cccnc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164781736 721417683 /nfs/dbraw/zinc/41/76/83/721417683.db2.gz DKRXZLSSNKWRNN-IYBDPMFKSA-N 2 1 398.536 1.152 20 0 GDADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164908754 721537284 /nfs/dbraw/zinc/53/72/84/721537284.db2.gz QLKAGSOUWJAZCA-PKOBYXMFSA-N 2 1 398.486 1.367 20 0 GDADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571282312 945838991 /nfs/dbraw/zinc/83/89/91/945838991.db2.gz GVLAIIYVYVSBJI-JKIFEVAISA-N 2 1 387.463 1.227 20 0 GDADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571282801 945863154 /nfs/dbraw/zinc/86/31/54/945863154.db2.gz RKFDVODYPCFSBR-LSDHHAIUSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571282801 945863167 /nfs/dbraw/zinc/86/31/67/945863167.db2.gz RKFDVODYPCFSBR-LSDHHAIUSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571282801 945863186 /nfs/dbraw/zinc/86/31/86/945863186.db2.gz RKFDVODYPCFSBR-LSDHHAIUSA-N 2 1 387.463 1.038 20 0 GDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571282801 945863200 /nfs/dbraw/zinc/86/32/00/945863200.db2.gz RKFDVODYPCFSBR-LSDHHAIUSA-N 2 1 387.463 1.038 20 0 GDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574707658 949470746 /nfs/dbraw/zinc/47/07/46/949470746.db2.gz PUHHEABXOSYCFG-CRAIPNDOSA-N 2 1 385.516 1.676 20 0 GDADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575873310 949576008 /nfs/dbraw/zinc/57/60/08/949576008.db2.gz BFKDRAOQYXOODB-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575873313 949578860 /nfs/dbraw/zinc/57/88/60/949578860.db2.gz BFKDRAOQYXOODB-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574715443 949650466 /nfs/dbraw/zinc/65/04/66/949650466.db2.gz CPKCUPONUMTGMW-MAUKXSAKSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576192267 950231962 /nfs/dbraw/zinc/23/19/62/950231962.db2.gz LGSGMRVACIZZQL-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574159913 950326493 /nfs/dbraw/zinc/32/64/93/950326493.db2.gz ZNVYOHKUSXVWEQ-AWEZNQCLSA-N 2 1 386.504 1.111 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576199492 950423879 /nfs/dbraw/zinc/42/38/79/950423879.db2.gz ZRRVUIUGNIFBCL-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001576203762 950449002 /nfs/dbraw/zinc/44/90/02/950449002.db2.gz JFRSLYLIWKIDFW-GOSISDBHSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204110 950456174 /nfs/dbraw/zinc/45/61/74/950456174.db2.gz LWWUIXAHPQHSPJ-YWZLYKJASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204110 950456186 /nfs/dbraw/zinc/45/61/86/950456186.db2.gz LWWUIXAHPQHSPJ-YWZLYKJASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204110 950456198 /nfs/dbraw/zinc/45/61/98/950456198.db2.gz LWWUIXAHPQHSPJ-YWZLYKJASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576204311 950460395 /nfs/dbraw/zinc/46/03/95/950460395.db2.gz NVMWHOOTCFCNOH-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576204311 950460412 /nfs/dbraw/zinc/46/04/12/950460412.db2.gz NVMWHOOTCFCNOH-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576204311 950460424 /nfs/dbraw/zinc/46/04/24/950460424.db2.gz NVMWHOOTCFCNOH-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205253 950500233 /nfs/dbraw/zinc/50/02/33/950500233.db2.gz HZBKNBKUEUMZIG-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205253 950500250 /nfs/dbraw/zinc/50/02/50/950500250.db2.gz HZBKNBKUEUMZIG-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205253 950500269 /nfs/dbraw/zinc/50/02/69/950500269.db2.gz HZBKNBKUEUMZIG-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205253 950500286 /nfs/dbraw/zinc/50/02/86/950500286.db2.gz HZBKNBKUEUMZIG-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576207852 950601277 /nfs/dbraw/zinc/60/12/77/950601277.db2.gz KIHWPGYROSAHEO-HNNXBMFYSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576207852 950601293 /nfs/dbraw/zinc/60/12/93/950601293.db2.gz KIHWPGYROSAHEO-HNNXBMFYSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576207852 950601309 /nfs/dbraw/zinc/60/13/09/950601309.db2.gz KIHWPGYROSAHEO-HNNXBMFYSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575925738 950693460 /nfs/dbraw/zinc/69/34/60/950693460.db2.gz IFDYXRMBJQVGAC-ZFWWWQNUSA-N 2 1 386.504 1.063 20 0 GDADMP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574521232 950769952 /nfs/dbraw/zinc/76/99/52/950769952.db2.gz DJXFCPFULCPCHN-GJZGRUSLSA-N 2 1 385.516 1.724 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574521434 950779831 /nfs/dbraw/zinc/77/98/31/950779831.db2.gz GFDCJYGXHCVHST-KBPBESRZSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574523917 950841313 /nfs/dbraw/zinc/84/13/13/950841313.db2.gz SETVJRRJOGBQNW-GJZGRUSLSA-N 2 1 385.516 1.724 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081392 951721492 /nfs/dbraw/zinc/72/14/92/951721492.db2.gz UHVYPNWPZSTTRV-ZDUSSCGKSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082166 951731626 /nfs/dbraw/zinc/73/16/26/951731626.db2.gz VHHFUXPXLNIHRY-UMVBOHGHSA-N 2 1 389.479 1.188 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575099421 951836203 /nfs/dbraw/zinc/83/62/03/951836203.db2.gz LQIUXHGOWFXGPR-KGLIPLIRSA-N 2 1 391.545 1.739 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100210 951845635 /nfs/dbraw/zinc/84/56/35/951845635.db2.gz SBQFDTZGRRHXIZ-OLZOCXBDSA-N 2 1 377.518 1.112 20 0 GDADMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113622 951943831 /nfs/dbraw/zinc/94/38/31/951943831.db2.gz CIJGTKVAUSKHAE-DOTOQJQBSA-N 2 1 385.516 1.583 20 0 GDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115124 951963395 /nfs/dbraw/zinc/96/33/95/951963395.db2.gz UXDFTZRMYZKHQO-MAUKXSAKSA-N 2 1 385.516 1.581 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169476 952773970 /nfs/dbraw/zinc/77/39/70/952773970.db2.gz DSHSWGUQCNKIMA-CXAGYDPISA-N 2 1 380.456 1.008 20 0 GDADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571171892 952799380 /nfs/dbraw/zinc/79/93/80/952799380.db2.gz HUCBNUVUZYMDND-MRXNPFEDSA-N 2 1 380.456 1.152 20 0 GDADMP C[N@@H+](CC(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001571234206 953199903 /nfs/dbraw/zinc/19/99/03/953199903.db2.gz PPJDLBIVCZQWIE-UHFFFAOYSA-N 2 1 383.500 1.432 20 0 GDADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571235112 953208767 /nfs/dbraw/zinc/20/87/67/953208767.db2.gz TZZOHGNTADGMJH-RDTXWAMCSA-N 2 1 383.500 1.288 20 0 GDADMP CN(C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571252402 953327855 /nfs/dbraw/zinc/32/78/55/953327855.db2.gz MBCAZJNOFMLAGW-GJZGRUSLSA-N 2 1 384.488 1.031 20 0 GDADMP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000261674528 531096126 /nfs/dbraw/zinc/09/61/26/531096126.db2.gz MCDSDSBIPWOZOE-PBHICJAKSA-N 2 1 395.345 1.606 20 0 GDADMP C[C@@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000261674528 531096128 /nfs/dbraw/zinc/09/61/28/531096128.db2.gz MCDSDSBIPWOZOE-PBHICJAKSA-N 2 1 395.345 1.606 20 0 GDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cncc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261866013 531100577 /nfs/dbraw/zinc/10/05/77/531100577.db2.gz KSZKTVMRWUTNRO-BBRMVZONSA-N 2 1 381.318 1.924 20 0 GDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cncc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261866013 531100580 /nfs/dbraw/zinc/10/05/80/531100580.db2.gz KSZKTVMRWUTNRO-BBRMVZONSA-N 2 1 381.318 1.924 20 0 GDADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415415342 531484082 /nfs/dbraw/zinc/48/40/82/531484082.db2.gz QHVNOCHZVKETFG-LLVKDONJSA-N 2 1 385.306 1.421 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1Br ZINC000415481098 531489985 /nfs/dbraw/zinc/48/99/85/531489985.db2.gz KDTWQCVHDCIOFW-CYBMUJFWSA-N 2 1 383.290 1.399 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1cc(OC)ns1 ZINC000641311689 531802517 /nfs/dbraw/zinc/80/25/17/531802517.db2.gz QMGWTZWFLGRZEB-CQSZACIVSA-N 2 1 390.575 1.329 20 0 GDADMP CC1(NC(=O)c2sc3c(c2I)C[NH2+]C3)CC[NH2+]CC1 ZINC000595950332 531895941 /nfs/dbraw/zinc/89/59/41/531895941.db2.gz JOSNBCQWJUHTQN-UHFFFAOYSA-N 2 1 391.278 1.828 20 0 GDADMP [NH3+]CC1(CCNC(=O)c2sc3c(c2I)C[NH2+]C3)CC1 ZINC000595959281 531898048 /nfs/dbraw/zinc/89/80/48/531898048.db2.gz MSAWPFSTGUVFSF-UHFFFAOYSA-N 2 1 391.278 1.815 20 0 GDADMP CO[C@@H](C)CS(=O)(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375583981 532171417 /nfs/dbraw/zinc/17/14/17/532171417.db2.gz MFHTZAYFQCILFV-INIZCTEOSA-N 2 1 375.579 1.479 20 0 GDADMP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738288758 598764305 /nfs/dbraw/zinc/76/43/05/598764305.db2.gz FQCGRJYFULVLQL-LJQANCHMSA-N 2 1 395.511 1.780 20 0 GDADMP CCN1CC[NH+](CCCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736569252 599484809 /nfs/dbraw/zinc/48/48/09/599484809.db2.gz QJWLZCQTQKQSPC-UHFFFAOYSA-N 2 1 383.504 1.022 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000825849270 607525124 /nfs/dbraw/zinc/52/51/24/607525124.db2.gz JCIQVVFQCTUKBZ-JLSDUUJJSA-N 2 1 399.499 1.379 20 0 GDADMP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689156 606846587 /nfs/dbraw/zinc/84/65/87/606846587.db2.gz BUZHBLLTKPKARX-FQEVSTJZSA-N 2 1 394.479 1.522 20 0 GDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820480243 606894672 /nfs/dbraw/zinc/89/46/72/606894672.db2.gz HCRJRFWBGRIION-MRXNPFEDSA-N 2 1 388.516 1.660 20 0 GDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821625582 606897859 /nfs/dbraw/zinc/89/78/59/606897859.db2.gz RBQJSVUVRCNSMP-LJQANCHMSA-N 2 1 399.543 1.738 20 0 GDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821625582 606897860 /nfs/dbraw/zinc/89/78/60/606897860.db2.gz RBQJSVUVRCNSMP-LJQANCHMSA-N 2 1 399.543 1.738 20 0 GDADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000556911675 650714723 /nfs/dbraw/zinc/71/47/23/650714723.db2.gz GSISCNMARFFHDC-HNNXBMFYSA-N 2 1 387.571 1.459 20 0 GDADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000564846474 650769744 /nfs/dbraw/zinc/76/97/44/650769744.db2.gz OFEJUQRPRASXKH-INIZCTEOSA-N 2 1 387.318 1.889 20 0 GDADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261597012 645114504 /nfs/dbraw/zinc/11/45/04/645114504.db2.gz AAHYNYWOCGVPOR-INIZCTEOSA-N 2 1 395.345 1.387 20 0 GDADMP O[C@H](C[NH2+]C[C@@H](O)CN1CCCCC1)COc1cccc(Br)c1 ZINC000570569831 651044887 /nfs/dbraw/zinc/04/48/87/651044887.db2.gz DZJLRAGEYAXHGJ-HZPDHXFCSA-N 2 1 387.318 1.625 20 0 GDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)COc1cccc(Br)c1 ZINC000570569831 651044889 /nfs/dbraw/zinc/04/48/89/651044889.db2.gz DZJLRAGEYAXHGJ-HZPDHXFCSA-N 2 1 387.318 1.625 20 0 GDADMP O=C(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1 ZINC000420348203 645940849 /nfs/dbraw/zinc/94/08/49/645940849.db2.gz KCKCCADNJKLWAW-MRXNPFEDSA-N 2 1 381.318 1.757 20 0 GDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423406481 646124507 /nfs/dbraw/zinc/12/45/07/646124507.db2.gz USKAQEPRNLDCAT-OUJBWJOFSA-N 2 1 376.320 1.745 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000579929599 651886001 /nfs/dbraw/zinc/88/60/01/651886001.db2.gz KMJXWUSFNNBBAP-CYBMUJFWSA-N 2 1 397.321 1.455 20 0 GDADMP O=C(c1sc2c(c1I)C[NH2+]C2)N1CCC[NH2+]CC1 ZINC000595918447 652426549 /nfs/dbraw/zinc/42/65/49/652426549.db2.gz CMUFTSOBZVUSHA-UHFFFAOYSA-N 2 1 377.251 1.391 20 0 GDADMP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000631910174 653267769 /nfs/dbraw/zinc/26/77/69/653267769.db2.gz YCTKCXXKRCFIBE-QGZVFWFLSA-N 2 1 387.933 1.212 20 0 GDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(OC)CCCC1 ZINC000647897531 653636937 /nfs/dbraw/zinc/63/69/37/653636937.db2.gz DLSWSVSXNCAMCZ-QGZVFWFLSA-N 2 1 375.579 1.623 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(OC)CCCC1 ZINC000647897531 653636938 /nfs/dbraw/zinc/63/69/38/653636938.db2.gz DLSWSVSXNCAMCZ-QGZVFWFLSA-N 2 1 375.579 1.623 20 0 GDADMP C[C@@]([NH3+])(C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000662905598 654317723 /nfs/dbraw/zinc/31/77/23/654317723.db2.gz FGYVLXJMYRSWID-RDJZCZTQSA-N 2 1 381.318 1.129 20 0 GDADMP Cn1ncc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1Br ZINC000765001837 655226338 /nfs/dbraw/zinc/22/63/38/655226338.db2.gz RCZRJGPTPOYLFK-UHFFFAOYSA-N 2 1 379.262 1.582 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819062809 655384425 /nfs/dbraw/zinc/38/44/25/655384425.db2.gz TXKYITZOYIZGIL-HNNXBMFYSA-N 2 1 388.281 1.375 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2I)C1 ZINC000843048038 655387400 /nfs/dbraw/zinc/38/74/00/655387400.db2.gz JTOGOOXWENHJLX-CYBMUJFWSA-N 2 1 387.265 1.578 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)cn2ncnc12 ZINC000824827243 655481026 /nfs/dbraw/zinc/48/10/26/655481026.db2.gz ZIJLFKVHMWHQHT-LBPRGKRZSA-N 2 1 397.321 1.494 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)cn2ncnc12 ZINC000824827243 655481028 /nfs/dbraw/zinc/48/10/28/655481028.db2.gz ZIJLFKVHMWHQHT-LBPRGKRZSA-N 2 1 397.321 1.494 20 0 GDADMP CCOP(=O)(OCC)[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000851882964 655602303 /nfs/dbraw/zinc/60/23/03/655602303.db2.gz MGZLTWRYNUOLSL-ULQDDVLXSA-N 2 1 377.466 1.529 20 0 GDADMP O=C([C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1)N1CC[NH2+]CC1 ZINC000923281456 656542417 /nfs/dbraw/zinc/54/24/17/656542417.db2.gz FTOYBDDWJZUKTL-NVXWUHKLSA-N 2 1 396.329 1.626 20 0 GDADMP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000923377967 656547429 /nfs/dbraw/zinc/54/74/29/656547429.db2.gz FLCJPNAHIUFTIM-DZGCQCFKSA-N 2 1 377.254 1.378 20 0 GDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000923377967 656547431 /nfs/dbraw/zinc/54/74/31/656547431.db2.gz FLCJPNAHIUFTIM-DZGCQCFKSA-N 2 1 377.254 1.378 20 0 GDADMP [NH3+][C@H]1C[C@@H](CNC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000877242452 656660353 /nfs/dbraw/zinc/66/03/53/656660353.db2.gz PWPXRLFQCXIYDZ-KNVOCYPGSA-N 2 1 377.251 1.423 20 0 GDADMP C[C@H](NC(=O)[C@@H]([NH3+])c1ccccc1I)[C@@H]1CCC[NH2+]C1 ZINC000911724468 660017544 /nfs/dbraw/zinc/01/75/44/660017544.db2.gz CPTBALHNWFWYGX-WDMOLILDSA-N 2 1 387.265 1.795 20 0 GDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2I)C1 ZINC000911821393 660019144 /nfs/dbraw/zinc/01/91/44/660019144.db2.gz GKHVTKZMWWAUPA-MJVIPROJSA-N 2 1 387.265 1.877 20 0 GDADMP COC(=O)c1nc(Cl)cnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681121 719623661 /nfs/dbraw/zinc/62/36/61/719623661.db2.gz BDHZFUBQIFUILN-UHFFFAOYSA-N 2 1 378.864 1.588 20 0 GDADMP COC(=O)c1nc(Cl)cnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681121 719623663 /nfs/dbraw/zinc/62/36/63/719623663.db2.gz BDHZFUBQIFUILN-UHFFFAOYSA-N 2 1 378.864 1.588 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)CC1 ZINC001164736325 720587957 /nfs/dbraw/zinc/58/79/57/720587957.db2.gz INBQYSNEZDFBSA-UHFFFAOYSA-N 2 1 396.543 1.083 20 0 GDADMP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1C[NH+]1CCCC1 ZINC001164742374 720756358 /nfs/dbraw/zinc/75/63/58/720756358.db2.gz OJQIZVPBCUEWQD-MOPGFXCFSA-N 2 1 380.496 1.809 20 0 GDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c(n4)CC[NH2+]C5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164746181 720815159 /nfs/dbraw/zinc/81/51/59/720815159.db2.gz MBXDHNIDRAMYHI-DYXWJJEUSA-N 2 1 393.539 1.698 20 0 GDADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@@H+]3C2)c1 ZINC001164863505 721121514 /nfs/dbraw/zinc/12/15/14/721121514.db2.gz CMYMUAIWVORNRS-UXHICEINSA-N 2 1 395.507 1.793 20 0 GDADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@H+]3C2)c1 ZINC001164863505 721121532 /nfs/dbraw/zinc/12/15/32/721121532.db2.gz CMYMUAIWVORNRS-UXHICEINSA-N 2 1 395.507 1.793 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164769903 721143688 /nfs/dbraw/zinc/14/36/88/721143688.db2.gz PYPOGEYKRLADSK-ZWKOTPCHSA-N 2 1 395.511 1.770 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164769903 721143699 /nfs/dbraw/zinc/14/36/99/721143699.db2.gz PYPOGEYKRLADSK-ZWKOTPCHSA-N 2 1 395.511 1.770 20 0 GDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C[NH3+])ncn1)CC2 ZINC001164789445 721455628 /nfs/dbraw/zinc/45/56/28/721455628.db2.gz WHKMNKLKIYWTCU-LJQANCHMSA-N 2 1 389.544 1.669 20 0 GDADMP C[N@@H+](Cc1ccc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1)C1CC1 ZINC001164795425 721520199 /nfs/dbraw/zinc/52/01/99/721520199.db2.gz PBQJYUWLTNHRGF-UHFFFAOYSA-N 2 1 395.555 1.640 20 0 GDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)CC[NH2+]C3)[C@H]2CCCO[C@@H]12 ZINC001164806125 721536623 /nfs/dbraw/zinc/53/66/23/721536623.db2.gz OCIFLYGFHAOKAO-XUVXKRRUSA-N 2 1 380.496 1.386 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)CC[NH2+]C3)[C@H]2CCCO[C@@H]12 ZINC001164806125 721536625 /nfs/dbraw/zinc/53/66/25/721536625.db2.gz OCIFLYGFHAOKAO-XUVXKRRUSA-N 2 1 380.496 1.386 20 0 GDADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164908750 721537270 /nfs/dbraw/zinc/53/72/70/721537270.db2.gz QLKAGSOUWJAZCA-MJGOQNOKSA-N 2 1 398.486 1.367 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571281960 945822490 /nfs/dbraw/zinc/82/24/90/945822490.db2.gz CEOIOVRVTPBAOS-UXLLHSPISA-N 2 1 387.463 1.227 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571282442 945846803 /nfs/dbraw/zinc/84/68/03/945846803.db2.gz YLOSHNCPAJGXBA-MWHAMWOXSA-N 2 1 387.463 1.084 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282533 945849982 /nfs/dbraw/zinc/84/99/82/945849982.db2.gz JQAMTNSAPWSTKE-LSDHHAIUSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571282554 945852122 /nfs/dbraw/zinc/85/21/22/945852122.db2.gz KFGCMLBUMXMRAN-DYVFJYSZSA-N 2 1 387.463 1.038 20 0 GDADMP NC(=O)c1c[nH+]ccc1N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826393957 948202682 /nfs/dbraw/zinc/20/26/82/948202682.db2.gz QTWVJZDJDNOWIN-UHFFFAOYSA-N 2 1 378.440 1.073 20 0 GDADMP NC(=O)c1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826393957 948202688 /nfs/dbraw/zinc/20/26/88/948202688.db2.gz QTWVJZDJDNOWIN-UHFFFAOYSA-N 2 1 378.440 1.073 20 0 GDADMP O=C1CCCCN1CCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826480044 948392279 /nfs/dbraw/zinc/39/22/79/948392279.db2.gz PROOXLSFMJZTKW-UHFFFAOYSA-N 2 1 397.527 1.823 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926028 948982353 /nfs/dbraw/zinc/98/23/53/948982353.db2.gz GTFPEBVLAJRLND-CYBMUJFWSA-N 2 1 391.495 1.578 20 0 GDADMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575874015 949600624 /nfs/dbraw/zinc/60/06/24/949600624.db2.gz DKCCZCSUAMJACA-YJBOKZPZSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575876047 949638641 /nfs/dbraw/zinc/63/86/41/949638641.db2.gz IUAKTQMBMCYMDR-QAPCUYQASA-N 2 1 385.516 1.678 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574726234 949928660 /nfs/dbraw/zinc/92/86/60/949928660.db2.gz XYNGOALDYMPELD-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574151834 950095998 /nfs/dbraw/zinc/09/59/98/950095998.db2.gz ZBFIHKPOAMHHOT-UONOGXRCSA-N 2 1 391.545 1.500 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574734808 950146579 /nfs/dbraw/zinc/14/65/79/950146579.db2.gz RSOWWYAMUZSAQA-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196458 950367342 /nfs/dbraw/zinc/36/73/42/950367342.db2.gz DZSDTVQWWZTLJN-YJBOKZPZSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196458 950367362 /nfs/dbraw/zinc/36/73/62/950367362.db2.gz DZSDTVQWWZTLJN-YJBOKZPZSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196458 950367380 /nfs/dbraw/zinc/36/73/80/950367380.db2.gz DZSDTVQWWZTLJN-YJBOKZPZSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576198350 950405829 /nfs/dbraw/zinc/40/58/29/950405829.db2.gz SBIHACLVANNMDP-WBVHZDCISA-N 2 1 383.500 1.147 20 0 GDADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576205399 950511638 /nfs/dbraw/zinc/51/16/38/950511638.db2.gz IKOMRKFAHGWLET-STQMWFEESA-N 2 1 377.518 1.254 20 0 GDADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001576205357 950513486 /nfs/dbraw/zinc/51/34/86/950513486.db2.gz XWLAYROFELQAPO-GOSISDBHSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205337 950514134 /nfs/dbraw/zinc/51/41/34/950514134.db2.gz XOGKECVLCVSBDW-CABCVRRESA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576208464 950610541 /nfs/dbraw/zinc/61/05/41/950610541.db2.gz QQYNXUWLSYAIAP-QGPMSJSTSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574771828 950943171 /nfs/dbraw/zinc/94/31/71/950943171.db2.gz KWPNQYYAYCRWQS-ZDUSSCGKSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077323 951666443 /nfs/dbraw/zinc/66/64/43/951666443.db2.gz FQTUPCPLVNTAEU-KGLIPLIRSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575078932 951685586 /nfs/dbraw/zinc/68/55/86/951685586.db2.gz NVGHDQGJSDNNAJ-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080064 951702607 /nfs/dbraw/zinc/70/26/07/951702607.db2.gz KFZOESOAZITZFT-CYBMUJFWSA-N 2 1 377.468 1.188 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575080852 951716054 /nfs/dbraw/zinc/71/60/54/951716054.db2.gz NXHMUCJRAZNREJ-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098405 951821591 /nfs/dbraw/zinc/82/15/91/951821591.db2.gz CKYHHMWMYRAZBQ-OCCSQVGLSA-N 2 1 377.518 1.254 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001575104437 951886539 /nfs/dbraw/zinc/88/65/39/951886539.db2.gz COMOLFJTXPQVOO-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575109931 951935542 /nfs/dbraw/zinc/93/55/42/951935542.db2.gz WBDYTMHDGSDIMO-MAUKXSAKSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113718 951944520 /nfs/dbraw/zinc/94/45/20/951944520.db2.gz DNEXSPSLAOSSFH-PMPSAXMXSA-N 2 1 385.516 1.439 20 0 GDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571234493 953202845 /nfs/dbraw/zinc/20/28/45/953202845.db2.gz ZSXBJQFPINGVMC-JZXOWHBKSA-N 2 1 383.500 1.478 20 0 GDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252472 953328634 /nfs/dbraw/zinc/32/86/34/953328634.db2.gz NLNAKYKJJADGHT-ZBFHGGJFSA-N 2 1 384.488 1.139 20 0 GDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252779 953333216 /nfs/dbraw/zinc/33/32/16/953333216.db2.gz WFGQVOBIZDJDNZ-OAHLLOKOSA-N 2 1 384.488 1.031 20 0 GDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CO)Cc3c[nH]c4ccccc34)cn2)CC1 ZINC000134332396 1126076674 /nfs/dbraw/zinc/07/66/74/1126076674.db2.gz PSTFDJTXRAINEZ-GOSISDBHSA-N 2 1 380.496 1.403 20 0 GDADMP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000261870701 531101127 /nfs/dbraw/zinc/10/11/27/531101127.db2.gz LGCSYZKIGWDUBY-HNNXBMFYSA-N 2 1 381.318 1.676 20 0 GDADMP Cc1cc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000261870701 531101130 /nfs/dbraw/zinc/10/11/30/531101130.db2.gz LGCSYZKIGWDUBY-HNNXBMFYSA-N 2 1 381.318 1.676 20 0 GDADMP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000527504422 531327262 /nfs/dbraw/zinc/32/72/62/531327262.db2.gz HJNMTLYGPGEPEF-UHFFFAOYSA-N 2 1 399.333 1.859 20 0 GDADMP C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415787899 531529454 /nfs/dbraw/zinc/52/94/54/531529454.db2.gz LNNUSZIMDWLFOV-MNOVXSKESA-N 2 1 385.310 1.453 20 0 GDADMP C[NH+](C)CC1(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)CC1 ZINC000636001462 531530725 /nfs/dbraw/zinc/53/07/25/531530725.db2.gz YTUQBBZJQGZLNM-UHFFFAOYSA-N 2 1 396.333 1.876 20 0 GDADMP C[C@@H](C[NH3+])N(C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000415791072 531532030 /nfs/dbraw/zinc/53/20/30/531532030.db2.gz QJAQBAOXUGZNJM-NSHDSACASA-N 2 1 385.310 1.407 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NC/C=C/C[NH3+])CC1 ZINC000667663992 531782888 /nfs/dbraw/zinc/78/28/88/531782888.db2.gz XGFQFYRDFZJVOE-NSCUHMNNSA-N 2 1 383.294 1.232 20 0 GDADMP C[NH+]1CCC(NC(=O)c2sc3c(c2I)C[NH2+]C3)CC1 ZINC000595948381 531896089 /nfs/dbraw/zinc/89/60/89/531896089.db2.gz VMLWZRSSUQLYPL-UHFFFAOYSA-N 2 1 391.278 1.780 20 0 GDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456582374 531922327 /nfs/dbraw/zinc/92/23/27/531922327.db2.gz LAQNNVMQNIEXKH-TZMCWYRMSA-N 2 1 396.333 1.732 20 0 GDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456582374 531922333 /nfs/dbraw/zinc/92/23/33/531922333.db2.gz LAQNNVMQNIEXKH-TZMCWYRMSA-N 2 1 396.333 1.732 20 0 GDADMP CN(CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)S(=O)(=O)c1cccs1 ZINC000655734173 531974633 /nfs/dbraw/zinc/97/46/33/531974633.db2.gz BFRIYPAVNRLBBV-MRXNPFEDSA-N 2 1 387.571 1.602 20 0 GDADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423207959 532074109 /nfs/dbraw/zinc/07/41/09/532074109.db2.gz HKSCQYSCRLCBJW-GHMZBOCLSA-N 2 1 376.320 1.747 20 0 GDADMP CN(C)S(=O)(=O)c1cc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)ccc1Cl ZINC000430589190 532252362 /nfs/dbraw/zinc/25/23/62/532252362.db2.gz CUSMQXGKPIUJOB-UHFFFAOYSA-N 2 1 388.921 1.200 20 0 GDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](CO)c1cccc(Br)c1 ZINC000275218972 532278374 /nfs/dbraw/zinc/27/83/74/532278374.db2.gz JKZWGELYWOQAEP-INIZCTEOSA-N 2 1 384.318 1.578 20 0 GDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](CO)c1cccc(Br)c1 ZINC000275218972 532278375 /nfs/dbraw/zinc/27/83/75/532278375.db2.gz JKZWGELYWOQAEP-INIZCTEOSA-N 2 1 384.318 1.578 20 0 GDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736569839 598813918 /nfs/dbraw/zinc/81/39/18/598813918.db2.gz JDSMJGRMYLTAFV-LJQANCHMSA-N 2 1 397.527 1.775 20 0 GDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736569839 598813921 /nfs/dbraw/zinc/81/39/21/598813921.db2.gz JDSMJGRMYLTAFV-LJQANCHMSA-N 2 1 397.527 1.775 20 0 GDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736569839 598813923 /nfs/dbraw/zinc/81/39/23/598813923.db2.gz JDSMJGRMYLTAFV-LJQANCHMSA-N 2 1 397.527 1.775 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000825848827 607525240 /nfs/dbraw/zinc/52/52/40/607525240.db2.gz GCVIUQDXGAGGLB-JFIYKMOQSA-N 2 1 381.484 1.803 20 0 GDADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596652 606097814 /nfs/dbraw/zinc/09/78/14/606097814.db2.gz QTYGVQJGTCIAMQ-FUHWJXTLSA-N 2 1 386.500 1.270 20 0 GDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596652 606097818 /nfs/dbraw/zinc/09/78/18/606097818.db2.gz QTYGVQJGTCIAMQ-FUHWJXTLSA-N 2 1 386.500 1.270 20 0 GDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596652 606097822 /nfs/dbraw/zinc/09/78/22/606097822.db2.gz QTYGVQJGTCIAMQ-FUHWJXTLSA-N 2 1 386.500 1.270 20 0 GDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596652 606097825 /nfs/dbraw/zinc/09/78/25/606097825.db2.gz QTYGVQJGTCIAMQ-FUHWJXTLSA-N 2 1 386.500 1.270 20 0 GDADMP C[C@@H]1C[N@@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824983987 608170768 /nfs/dbraw/zinc/17/07/68/608170768.db2.gz FLXMOTVYQRZEIL-YLJYHZDGSA-N 2 1 399.543 1.593 20 0 GDADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824576492 609332830 /nfs/dbraw/zinc/33/28/30/609332830.db2.gz BBVHJZJDJPQSDZ-CQSZACIVSA-N 2 1 375.496 1.930 20 0 GDADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000564846475 650769601 /nfs/dbraw/zinc/76/96/01/650769601.db2.gz OFEJUQRPRASXKH-MRXNPFEDSA-N 2 1 387.318 1.889 20 0 GDADMP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000567873438 650926295 /nfs/dbraw/zinc/92/62/95/650926295.db2.gz VVTPWNQBFICBOM-PBHICJAKSA-N 2 1 385.346 1.953 20 0 GDADMP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000567873438 650926297 /nfs/dbraw/zinc/92/62/97/650926297.db2.gz VVTPWNQBFICBOM-PBHICJAKSA-N 2 1 385.346 1.953 20 0 GDADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000567911258 650928583 /nfs/dbraw/zinc/92/85/83/650928583.db2.gz SIBGBIGWPCEZMI-HNNXBMFYSA-N 2 1 385.306 1.549 20 0 GDADMP Cc1ccsc1S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000462251495 647517147 /nfs/dbraw/zinc/51/71/47/647517147.db2.gz HDRLQARQRFXNJF-UHFFFAOYSA-N 2 1 380.539 1.942 20 0 GDADMP C[C@@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000595924647 652427210 /nfs/dbraw/zinc/42/72/10/652427210.db2.gz OYAXYBDASQLTAZ-APPZFPTMSA-N 2 1 391.278 1.765 20 0 GDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccncc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000629516423 653167957 /nfs/dbraw/zinc/16/79/57/653167957.db2.gz FIPKYCAXVUGZOP-BBRMVZONSA-N 2 1 381.318 1.924 20 0 GDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccncc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000629516423 653167960 /nfs/dbraw/zinc/16/79/60/653167960.db2.gz FIPKYCAXVUGZOP-BBRMVZONSA-N 2 1 381.318 1.924 20 0 GDADMP CC(F)(F)CCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000631852290 653260004 /nfs/dbraw/zinc/26/00/04/653260004.db2.gz JTBYPDXAXLCLEY-UHFFFAOYSA-N 2 1 376.473 1.558 20 0 GDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000647492346 653627563 /nfs/dbraw/zinc/62/75/63/653627563.db2.gz DFFOFUFZGYECOA-UHFFFAOYSA-N 2 1 397.361 1.623 20 0 GDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(OC)CCCC1 ZINC000647897530 653636853 /nfs/dbraw/zinc/63/68/53/653636853.db2.gz DLSWSVSXNCAMCZ-KRWDZBQOSA-N 2 1 375.579 1.623 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(OC)CCCC1 ZINC000647897530 653636855 /nfs/dbraw/zinc/63/68/55/653636855.db2.gz DLSWSVSXNCAMCZ-KRWDZBQOSA-N 2 1 375.579 1.623 20 0 GDADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764518401 655217926 /nfs/dbraw/zinc/21/79/26/655217926.db2.gz BMQRNFJXAOIZHI-CYBMUJFWSA-N 2 1 377.532 1.015 20 0 GDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000819004855 655383092 /nfs/dbraw/zinc/38/30/92/655383092.db2.gz UGEAXHYHWXBTTG-ZBFHGGJFSA-N 2 1 384.318 1.660 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000923281391 656542503 /nfs/dbraw/zinc/54/25/03/656542503.db2.gz NAQGZURIYAMFEX-JSGCOSHPSA-N 2 1 390.311 1.520 20 0 GDADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)nn1 ZINC000923411721 656550879 /nfs/dbraw/zinc/55/08/79/656550879.db2.gz RCWFIEGPSPMYPH-STQMWFEESA-N 2 1 386.283 1.730 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923414157 656551399 /nfs/dbraw/zinc/55/13/99/656551399.db2.gz KNHCHHLGYWEKRC-MWNCTCPHSA-N 2 1 386.279 1.894 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923414157 656551402 /nfs/dbraw/zinc/55/14/02/656551402.db2.gz KNHCHHLGYWEKRC-MWNCTCPHSA-N 2 1 386.279 1.894 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1)[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000931551093 657106527 /nfs/dbraw/zinc/10/65/27/657106527.db2.gz VKSRICTUSGNUHE-DZVNLGKHSA-N 2 1 383.627 1.861 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H]2CSC[C@@H]2C1)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000931551093 657106531 /nfs/dbraw/zinc/10/65/31/657106531.db2.gz VKSRICTUSGNUHE-DZVNLGKHSA-N 2 1 383.627 1.861 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H]2CSC[C@@H]2C1)[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000931551093 657106535 /nfs/dbraw/zinc/10/65/35/657106535.db2.gz VKSRICTUSGNUHE-DZVNLGKHSA-N 2 1 383.627 1.861 20 0 GDADMP [NH3+]C[C@H]1CN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@H]1C(F)(F)F ZINC000891411678 658236955 /nfs/dbraw/zinc/23/69/55/658236955.db2.gz ONRFSVSUGHCABA-QWHCGFSZSA-N 2 1 376.448 1.885 20 0 GDADMP [NH3+]C[C@H]1CN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@H]1C(F)(F)F ZINC000891411678 658236966 /nfs/dbraw/zinc/23/69/66/658236966.db2.gz ONRFSVSUGHCABA-QWHCGFSZSA-N 2 1 376.448 1.885 20 0 GDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905065748 659420299 /nfs/dbraw/zinc/42/02/99/659420299.db2.gz KUZXWOGHLCQBSB-HZPDHXFCSA-N 2 1 375.579 1.309 20 0 GDADMP CCOC(=O)c1cnc2nc[nH]c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c1-2 ZINC001164685638 719612316 /nfs/dbraw/zinc/61/23/16/719612316.db2.gz VFQDDILHTBMULM-UHFFFAOYSA-N 2 1 397.483 1.806 20 0 GDADMP CCOC(=O)c1cnc2nc[nH]c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c1-2 ZINC001164685638 719612325 /nfs/dbraw/zinc/61/23/25/719612325.db2.gz VFQDDILHTBMULM-UHFFFAOYSA-N 2 1 397.483 1.806 20 0 GDADMP c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc(OC3CC[NH2+]CC3)nn2)c1 ZINC001164735905 720445486 /nfs/dbraw/zinc/44/54/86/720445486.db2.gz ZFYAFMBUDGMPLI-RBUKOAKNSA-N 2 1 380.496 1.856 20 0 GDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ncc4c(n3)CC[NH2+]C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835770 720518499 /nfs/dbraw/zinc/51/84/99/720518499.db2.gz LGFSTZALPNBCJY-XKGZKEIXSA-N 2 1 381.528 1.697 20 0 GDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc4c(nn3)CC[NH2+]C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835850 720571310 /nfs/dbraw/zinc/57/13/10/720571310.db2.gz INGDKKJIPPNXTN-WSTZPKSXSA-N 2 1 381.528 1.697 20 0 GDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164745841 720743901 /nfs/dbraw/zinc/74/39/01/720743901.db2.gz WALUQFWEQCFGSR-ZWKOTPCHSA-N 2 1 395.511 1.141 20 0 GDADMP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)[nH+]2)CC1 ZINC001164745841 720743904 /nfs/dbraw/zinc/74/39/04/720743904.db2.gz WALUQFWEQCFGSR-ZWKOTPCHSA-N 3 1 395.511 1.141 20 0 GDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)[nH+]2)CC1 ZINC001164745841 720743908 /nfs/dbraw/zinc/74/39/08/720743908.db2.gz WALUQFWEQCFGSR-ZWKOTPCHSA-N 3 1 395.511 1.141 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741217 720816370 /nfs/dbraw/zinc/81/63/70/720816370.db2.gz MLDAVZSQTOTECH-ZHALLVOQSA-N 2 1 392.511 1.939 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741217 720816375 /nfs/dbraw/zinc/81/63/75/720816375.db2.gz MLDAVZSQTOTECH-ZHALLVOQSA-N 2 1 392.511 1.939 20 0 GDADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)CC[C@@H]2C1 ZINC001164858586 720873626 /nfs/dbraw/zinc/87/36/26/720873626.db2.gz LGWGCTNWLSKQER-QZTJIDSGSA-N 2 1 375.517 1.640 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)CC[C@@H]2C1 ZINC001164858586 720873627 /nfs/dbraw/zinc/87/36/27/720873627.db2.gz LGWGCTNWLSKQER-QZTJIDSGSA-N 2 1 375.517 1.640 20 0 GDADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164867671 721119167 /nfs/dbraw/zinc/11/91/67/721119167.db2.gz ZNFJPIVPMNZJHZ-UXHICEINSA-N 2 1 394.523 1.818 20 0 GDADMP Cc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164866462 721197832 /nfs/dbraw/zinc/19/78/32/721197832.db2.gz AYFMZTWXZCYFBA-MOPGFXCFSA-N 2 1 380.496 1.347 20 0 GDADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164906412 721547168 /nfs/dbraw/zinc/54/71/68/721547168.db2.gz LADHCAZYXAQAPN-TZIWHRDSSA-N 2 1 397.498 1.972 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571281347 945801238 /nfs/dbraw/zinc/80/12/38/945801238.db2.gz GRYWEJGACXXXRG-JKIFEVAISA-N 2 1 387.463 1.084 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282777 945862824 /nfs/dbraw/zinc/86/28/24/945862824.db2.gz QQZHTUHFZBIUAW-DOTOQJQBSA-N 2 1 387.463 1.181 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571283046 945874200 /nfs/dbraw/zinc/87/42/00/945874200.db2.gz YLOSHNCPAJGXBA-SRCQZFHVSA-N 2 1 387.463 1.084 20 0 GDADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001571305611 946369846 /nfs/dbraw/zinc/36/98/46/946369846.db2.gz HMESOFCTNRTLSD-DZGCQCFKSA-N 2 1 391.545 1.691 20 0 GDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574707661 949472091 /nfs/dbraw/zinc/47/20/91/949472091.db2.gz PUHHEABXOSYCFG-YJBOKZPZSA-N 2 1 385.516 1.676 20 0 GDADMP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574715445 949649979 /nfs/dbraw/zinc/64/99/79/949649979.db2.gz CPKCUPONUMTGMW-YJBOKZPZSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574962449 949732842 /nfs/dbraw/zinc/73/28/42/949732842.db2.gz AQDKMVBRSFXETJ-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574962449 949732862 /nfs/dbraw/zinc/73/28/62/949732862.db2.gz AQDKMVBRSFXETJ-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574962449 949732879 /nfs/dbraw/zinc/73/28/79/949732879.db2.gz AQDKMVBRSFXETJ-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574964594 949780919 /nfs/dbraw/zinc/78/09/19/949780919.db2.gz YPVGAATWWSBFHL-RDBSUJKOSA-N 2 1 389.479 1.330 20 0 GDADMP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192791 950264325 /nfs/dbraw/zinc/26/43/25/950264325.db2.gz OYKUGLUFNVRSLN-YJBOKZPZSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192791 950264343 /nfs/dbraw/zinc/26/43/43/950264343.db2.gz OYKUGLUFNVRSLN-YJBOKZPZSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192791 950264361 /nfs/dbraw/zinc/26/43/61/950264361.db2.gz OYKUGLUFNVRSLN-YJBOKZPZSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192791 950264382 /nfs/dbraw/zinc/26/43/82/950264382.db2.gz OYKUGLUFNVRSLN-YJBOKZPZSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575906041 950305255 /nfs/dbraw/zinc/30/52/55/950305255.db2.gz GHKVJBGNZWOVMW-KBXCAEBGSA-N 2 1 383.500 1.430 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576194182 950331579 /nfs/dbraw/zinc/33/15/79/950331579.db2.gz XMCWOUCOYQDZOG-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576196416 950359228 /nfs/dbraw/zinc/35/92/28/950359228.db2.gz CWDHFRYNBUHZEU-INIZCTEOSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576196416 950359245 /nfs/dbraw/zinc/35/92/45/950359245.db2.gz CWDHFRYNBUHZEU-INIZCTEOSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576196416 950359268 /nfs/dbraw/zinc/35/92/68/950359268.db2.gz CWDHFRYNBUHZEU-INIZCTEOSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199291 950424563 /nfs/dbraw/zinc/42/45/63/950424563.db2.gz YGIWIXZLJROFGL-UONOGXRCSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199291 950424571 /nfs/dbraw/zinc/42/45/71/950424571.db2.gz YGIWIXZLJROFGL-UONOGXRCSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199291 950424581 /nfs/dbraw/zinc/42/45/81/950424581.db2.gz YGIWIXZLJROFGL-UONOGXRCSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199291 950424590 /nfs/dbraw/zinc/42/45/90/950424590.db2.gz YGIWIXZLJROFGL-UONOGXRCSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001576202565 950430743 /nfs/dbraw/zinc/43/07/43/950430743.db2.gz BBVBBXWCYVGVDH-RDTXWAMCSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576202898 950437471 /nfs/dbraw/zinc/43/74/71/950437471.db2.gz FDLDIRHWUOOUFX-IUODEOHRSA-N 2 1 389.529 1.254 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204866 950484341 /nfs/dbraw/zinc/48/43/41/950484341.db2.gz RTFIEKDQVDXDFR-NXVRBGIVSA-N 2 1 383.500 1.193 20 0 GDADMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576205263 950510107 /nfs/dbraw/zinc/51/01/07/950510107.db2.gz ICHFISSABDLVHN-MAUKXSAKSA-N 2 1 385.516 1.439 20 0 GDADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576206945 950584598 /nfs/dbraw/zinc/58/45/98/950584598.db2.gz ZSLBYUUNXBLNAO-YJBOKZPZSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576213941 950655627 /nfs/dbraw/zinc/65/56/27/950655627.db2.gz LCYWMTLKMXGZCZ-VBNZEHGJSA-N 2 1 387.463 1.084 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576215483 950706507 /nfs/dbraw/zinc/70/65/07/950706507.db2.gz VPJYSTYFTHPCJB-WQVCFCJDSA-N 2 1 387.463 1.084 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574521437 950779815 /nfs/dbraw/zinc/77/98/15/950779815.db2.gz GFDCJYGXHCVHST-KGLIPLIRSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[NH+](C)C1CCC1 ZINC001574771831 950943816 /nfs/dbraw/zinc/94/38/16/950943816.db2.gz KYXPMUNCWJNHMZ-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[NH+](C)C1CCC1 ZINC001574771831 950943837 /nfs/dbraw/zinc/94/38/37/950943837.db2.gz KYXPMUNCWJNHMZ-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001574771831 950943856 /nfs/dbraw/zinc/94/38/56/950943856.db2.gz KYXPMUNCWJNHMZ-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574771831 950943881 /nfs/dbraw/zinc/94/38/81/950943881.db2.gz KYXPMUNCWJNHMZ-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574774033 950995568 /nfs/dbraw/zinc/99/55/68/950995568.db2.gz BIRMXTLIWFFABO-WBMJQRKESA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574774033 950995580 /nfs/dbraw/zinc/99/55/80/950995580.db2.gz BIRMXTLIWFFABO-WBMJQRKESA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574774033 950995595 /nfs/dbraw/zinc/99/55/95/950995595.db2.gz BIRMXTLIWFFABO-WBMJQRKESA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[NH+](C)C1CCC1 ZINC001574774582 951008021 /nfs/dbraw/zinc/00/80/21/951008021.db2.gz DFMLADBUHDVAJQ-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574774582 951008039 /nfs/dbraw/zinc/00/80/39/951008039.db2.gz DFMLADBUHDVAJQ-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574774582 951008059 /nfs/dbraw/zinc/00/80/59/951008059.db2.gz DFMLADBUHDVAJQ-CYBMUJFWSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575077821 951674450 /nfs/dbraw/zinc/67/44/50/951674450.db2.gz ICVAHIISBNMWCA-LRDDRELGSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575109935 951935287 /nfs/dbraw/zinc/93/52/87/951935287.db2.gz WBDYTMHDGSDIMO-YJBOKZPZSA-N 2 1 385.516 1.678 20 0 GDADMP CC(C)(C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571250683 953312822 /nfs/dbraw/zinc/31/28/22/953312822.db2.gz SETBNWZZROPUTK-CQSZACIVSA-N 2 1 384.488 1.221 20 0 GDADMP O=S(=O)(c1cccc2c1N=S=N2)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178955723 530732277 /nfs/dbraw/zinc/73/22/77/530732277.db2.gz ASXGOJZIXFPXME-UHFFFAOYSA-N 2 1 381.527 1.719 20 0 GDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000180960728 530774931 /nfs/dbraw/zinc/77/49/31/530774931.db2.gz QYDHFBZXNZMTLK-KRWDZBQOSA-N 2 1 397.361 1.933 20 0 GDADMP CN(CCN(C)C1CC[NH+](C)CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000180960728 530774933 /nfs/dbraw/zinc/77/49/33/530774933.db2.gz QYDHFBZXNZMTLK-KRWDZBQOSA-N 2 1 397.361 1.933 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1sccc1OC ZINC000157443343 531206578 /nfs/dbraw/zinc/20/65/78/531206578.db2.gz UDBJVUZJLVLLQK-AWEZNQCLSA-N 2 1 375.560 1.793 20 0 GDADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414324374 531440219 /nfs/dbraw/zinc/44/02/19/531440219.db2.gz WPVRSHVABRIANG-CYBMUJFWSA-N 2 1 390.347 1.918 20 0 GDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414324374 531440223 /nfs/dbraw/zinc/44/02/23/531440223.db2.gz WPVRSHVABRIANG-CYBMUJFWSA-N 2 1 390.347 1.918 20 0 GDADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415544465 531492749 /nfs/dbraw/zinc/49/27/49/531492749.db2.gz UGTIFYZGURVNLX-NWDGAFQWSA-N 2 1 397.317 1.645 20 0 GDADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000658540726 531513650 /nfs/dbraw/zinc/51/36/50/531513650.db2.gz YLCVGIGSPKNPEP-UHFFFAOYSA-N 2 1 397.317 1.469 20 0 GDADMP CC[NH+]1CCN(CCNC(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662526218 531683606 /nfs/dbraw/zinc/68/36/06/531683606.db2.gz VMWKEJKYGXDXLF-UHFFFAOYSA-N 2 1 387.347 1.481 20 0 GDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595949442 531895758 /nfs/dbraw/zinc/89/57/58/531895758.db2.gz DKVRNSXQIMMKKD-VXNVDRBHSA-N 2 1 391.278 1.684 20 0 GDADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595960406 531897556 /nfs/dbraw/zinc/89/75/56/531897556.db2.gz DYZWOTXVKSOZBP-RKDXNWHRSA-N 2 1 391.278 1.956 20 0 GDADMP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430964255 532258508 /nfs/dbraw/zinc/25/85/08/532258508.db2.gz YHJIKVIUDLFRQU-LBPRGKRZSA-N 2 1 388.921 1.200 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737521825 598852764 /nfs/dbraw/zinc/85/27/64/598852764.db2.gz CECPGVXRZCXCPG-MRXNPFEDSA-N 2 1 393.499 1.809 20 0 GDADMP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737521825 598852766 /nfs/dbraw/zinc/85/27/66/598852766.db2.gz CECPGVXRZCXCPG-MRXNPFEDSA-N 2 1 393.499 1.809 20 0 GDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736227098 598524535 /nfs/dbraw/zinc/52/45/35/598524535.db2.gz ZITSYWUKVUUKPV-QLFBSQMISA-N 2 1 387.536 1.451 20 0 GDADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000736195332 599319046 /nfs/dbraw/zinc/31/90/46/599319046.db2.gz GAFFIUZSDRBLGB-MRXNPFEDSA-N 2 1 397.527 1.804 20 0 GDADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@@H](O)C[NH+]3CCCCC3)c2c1 ZINC000822195157 599474249 /nfs/dbraw/zinc/47/42/49/599474249.db2.gz IXAPBKXVHXEUII-OAHLLOKOSA-N 2 1 381.484 1.712 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826504580 607477968 /nfs/dbraw/zinc/47/79/68/607477968.db2.gz ZELSGVBFIJXFGB-QRFRQXIXSA-N 2 1 398.511 1.555 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826504580 607477969 /nfs/dbraw/zinc/47/79/69/607477969.db2.gz ZELSGVBFIJXFGB-QRFRQXIXSA-N 2 1 398.511 1.555 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000826504580 607477970 /nfs/dbraw/zinc/47/79/70/607477970.db2.gz ZELSGVBFIJXFGB-QRFRQXIXSA-N 2 1 398.511 1.555 20 0 GDADMP C[C@H]1C[N@@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824983984 608170983 /nfs/dbraw/zinc/17/09/83/608170983.db2.gz FLXMOTVYQRZEIL-FXAWDEMLSA-N 2 1 399.543 1.593 20 0 GDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)CC)CC2)[C@H](C)C1 ZINC000539065524 650327590 /nfs/dbraw/zinc/32/75/90/650327590.db2.gz INXISLDAXMQREF-AEFFLSMTSA-N 2 1 375.579 1.527 20 0 GDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2S(C)(=O)=O)[C@H](C)C1 ZINC000552333787 650623457 /nfs/dbraw/zinc/62/34/57/650623457.db2.gz OXWWJCCVOGLYCL-KURKYZTESA-N 2 1 375.579 1.527 20 0 GDADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000556911676 650714635 /nfs/dbraw/zinc/71/46/35/650714635.db2.gz GSISCNMARFFHDC-OAHLLOKOSA-N 2 1 387.571 1.459 20 0 GDADMP O[C@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C[NH+]1CCCC1 ZINC000566232954 650836693 /nfs/dbraw/zinc/83/66/93/650836693.db2.gz FNUWWIJLYDXQCZ-CABCVRRESA-N 2 1 391.281 1.374 20 0 GDADMP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c1OC ZINC000420350973 645941546 /nfs/dbraw/zinc/94/15/46/645941546.db2.gz VKQFCEHPIXQJEH-AWEZNQCLSA-N 2 1 384.318 1.946 20 0 GDADMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c1OC ZINC000420350973 645941549 /nfs/dbraw/zinc/94/15/49/645941549.db2.gz VKQFCEHPIXQJEH-AWEZNQCLSA-N 2 1 384.318 1.946 20 0 GDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000442762467 647162895 /nfs/dbraw/zinc/16/28/95/647162895.db2.gz QSGSCDFFZYFOEU-ZIAGYGMSSA-N 2 1 384.318 1.955 20 0 GDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000442762467 647162899 /nfs/dbraw/zinc/16/28/99/647162899.db2.gz QSGSCDFFZYFOEU-ZIAGYGMSSA-N 2 1 384.318 1.955 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000516632576 648529994 /nfs/dbraw/zinc/52/99/94/648529994.db2.gz AWTYOBGNBISBFQ-ZDUSSCGKSA-N 2 1 397.321 1.469 20 0 GDADMP C[NH+]1CCN([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c2cccs2)CC1 ZINC000575025639 651577187 /nfs/dbraw/zinc/57/71/87/651577187.db2.gz FVZMSOVIYNHPNK-CHWSQXEVSA-N 2 1 375.489 1.318 20 0 GDADMP [NH3+]C1CCC(NC(=O)c2sc3c(c2I)C[NH2+]C3)CC1 ZINC000595919567 652426463 /nfs/dbraw/zinc/42/64/63/652426463.db2.gz KFMJXTSRVSMHIR-UHFFFAOYSA-N 2 1 391.278 1.956 20 0 GDADMP C[C@@H](CNC(=O)c1sc2c(c1I)C[NH2+]C2)[NH+](C)C ZINC000595944443 652428288 /nfs/dbraw/zinc/42/82/88/652428288.db2.gz UPJUJPQNDLDHCO-ZETCQYMHSA-N 2 1 379.267 1.636 20 0 GDADMP CN(CCC[NH+](C)C)CC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000656683054 654046950 /nfs/dbraw/zinc/04/69/50/654046950.db2.gz XDDQSKRNARWXEQ-OAHLLOKOSA-N 2 1 389.313 1.588 20 0 GDADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000818614868 655377575 /nfs/dbraw/zinc/37/75/75/655377575.db2.gz HWROOWHBMXSAIT-APHBMKBZSA-N 2 1 389.543 1.333 20 0 GDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000819004849 655383133 /nfs/dbraw/zinc/38/31/33/655383133.db2.gz UGEAXHYHWXBTTG-GDBMZVCRSA-N 2 1 384.318 1.660 20 0 GDADMP COc1ncc(Br)cc1CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000853685413 655647406 /nfs/dbraw/zinc/64/74/06/655647406.db2.gz IFHHQNSZZRIOSZ-CYBMUJFWSA-N 2 1 387.278 1.960 20 0 GDADMP COc1ncc(Br)cc1CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000853685413 655647407 /nfs/dbraw/zinc/64/74/07/655647407.db2.gz IFHHQNSZZRIOSZ-CYBMUJFWSA-N 2 1 387.278 1.960 20 0 GDADMP CCc1[nH]nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1Br ZINC000870019527 656214240 /nfs/dbraw/zinc/21/42/40/656214240.db2.gz ZNWFEWSQBDUWFE-VXGBXAGGSA-N 2 1 386.338 1.546 20 0 GDADMP COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873209286 656389813 /nfs/dbraw/zinc/38/98/13/656389813.db2.gz LBRSVZMDURDHGR-INIZCTEOSA-N 2 1 387.571 1.266 20 0 GDADMP COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873209286 656389815 /nfs/dbraw/zinc/38/98/15/656389815.db2.gz LBRSVZMDURDHGR-INIZCTEOSA-N 2 1 387.571 1.266 20 0 GDADMP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000923377969 656547357 /nfs/dbraw/zinc/54/73/57/656547357.db2.gz FLCJPNAHIUFTIM-HIFRSBDPSA-N 2 1 377.254 1.378 20 0 GDADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000923377969 656547360 /nfs/dbraw/zinc/54/73/60/656547360.db2.gz FLCJPNAHIUFTIM-HIFRSBDPSA-N 2 1 377.254 1.378 20 0 GDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000878875593 656755268 /nfs/dbraw/zinc/75/52/68/656755268.db2.gz CJQBJSKJUMUNPB-OAHLLOKOSA-N 2 1 397.317 1.508 20 0 GDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000878875593 656755275 /nfs/dbraw/zinc/75/52/75/656755275.db2.gz CJQBJSKJUMUNPB-OAHLLOKOSA-N 2 1 397.317 1.508 20 0 GDADMP C[NH2+]CC1CCN(C(=O)[C@H]([NH3+])c2ccccc2I)CC1 ZINC000911779301 660018299 /nfs/dbraw/zinc/01/82/99/660018299.db2.gz QIOKSLFBBBYHKA-CQSZACIVSA-N 2 1 387.265 1.749 20 0 GDADMP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CCN(CCc2cccs2)CC1 ZINC000913963822 660107714 /nfs/dbraw/zinc/10/77/14/660107714.db2.gz MSCSNFYUZFSRMB-SFHVURJKSA-N 2 1 383.583 1.724 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2c(Cl)nc(Cl)nc2C(N)=O)c2c1CC[NH2+]C2 ZINC001164681637 719628322 /nfs/dbraw/zinc/62/83/22/719628322.db2.gz JVZRJHDNEJECJO-UHFFFAOYSA-N 2 1 398.298 1.554 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2c(Cl)nc(Cl)nc2C(N)=O)c2c1CC[NH2+]C2 ZINC001164681637 719628330 /nfs/dbraw/zinc/62/83/30/719628330.db2.gz JVZRJHDNEJECJO-UHFFFAOYSA-N 2 1 398.298 1.554 20 0 GDADMP Cn1nnc2c1CCN(c1nc(NC3CC3)cc[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714670 720164244 /nfs/dbraw/zinc/16/42/44/720164244.db2.gz RJQZEBVHUGRLBI-KRWDZBQOSA-N 2 1 398.515 1.396 20 0 GDADMP Cc1c[nH]c2nc[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164712330 720165430 /nfs/dbraw/zinc/16/54/30/720165430.db2.gz FRSQPYNRXOVWLW-INIZCTEOSA-N 2 1 396.499 1.611 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164859530 720859883 /nfs/dbraw/zinc/85/98/83/720859883.db2.gz UFRSNAUKILNHNK-WMZOPIPTSA-N 2 1 389.500 1.251 20 0 GDADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@@H+](CCOC)CCO[C@H]2C1 ZINC001164859530 720859884 /nfs/dbraw/zinc/85/98/84/720859884.db2.gz UFRSNAUKILNHNK-WMZOPIPTSA-N 2 1 389.500 1.251 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)CC[C@H]2C1 ZINC001164860186 720867098 /nfs/dbraw/zinc/86/70/98/720867098.db2.gz VTIVHQZFGKBDHW-HKUYNNGSSA-N 2 1 375.517 1.117 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(N5CCC([NH3+])CC5)n4)C[C@@H]3C2)cn1 ZINC001164773400 721167038 /nfs/dbraw/zinc/16/70/38/721167038.db2.gz WYVXOMORPNJNEQ-ROUUACIJSA-N 2 1 396.543 1.096 20 0 GDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)CC[NH2+]C3)[C@H]2CCCO[C@H]12 ZINC001164806126 721536365 /nfs/dbraw/zinc/53/63/65/721536365.db2.gz OCIFLYGFHAOKAO-ZCNNSNEGSA-N 2 1 380.496 1.386 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)CC[NH2+]C3)[C@H]2CCCO[C@H]12 ZINC001164806126 721536367 /nfs/dbraw/zinc/53/63/67/721536367.db2.gz OCIFLYGFHAOKAO-ZCNNSNEGSA-N 2 1 380.496 1.386 20 0 GDADMP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000821584910 945725445 /nfs/dbraw/zinc/72/54/45/945725445.db2.gz XTWWHYNZGTXKEY-HNNXBMFYSA-N 2 1 389.529 1.697 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C(C)(C)C1 ZINC001571294175 946127106 /nfs/dbraw/zinc/12/71/06/946127106.db2.gz CFCCTRHSABXINB-UKRRQHHQSA-N 2 1 389.529 1.349 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294300 946132698 /nfs/dbraw/zinc/13/26/98/946132698.db2.gz FACHMCXYQJPIPP-UONOGXRCSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295449 946163975 /nfs/dbraw/zinc/16/39/75/946163975.db2.gz TWBGNYUJSTUKIW-HSBZDZAISA-N 2 1 389.529 1.349 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295450 946165130 /nfs/dbraw/zinc/16/51/30/946165130.db2.gz TWBGNYUJSTUKIW-IYXRBSQSSA-N 2 1 389.529 1.349 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574704160 949372471 /nfs/dbraw/zinc/37/24/71/949372471.db2.gz ABMSWYZUJNCLDC-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574715735 949663361 /nfs/dbraw/zinc/66/33/61/949663361.db2.gz FZMQJQWXUNHTKD-NVXWUHKLSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575881486 949725968 /nfs/dbraw/zinc/72/59/68/949725968.db2.gz YODOFCQMFHIITO-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574732958 950084683 /nfs/dbraw/zinc/08/46/83/950084683.db2.gz NYQHQFODYWAOKG-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576202545 950429965 /nfs/dbraw/zinc/42/99/65/950429965.db2.gz ASQPCCMIBZRQMG-HDMKZQKVSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576205149 950497122 /nfs/dbraw/zinc/49/71/22/950497122.db2.gz VMAAQTBEXFTTQH-CABCVRRESA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576206590 950576600 /nfs/dbraw/zinc/57/66/00/950576600.db2.gz YBAVXAWXUCZTAV-KGLIPLIRSA-N 2 1 389.479 1.332 20 0 GDADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090901 951765583 /nfs/dbraw/zinc/76/55/83/951765583.db2.gz NXEPZIWHRNJAQY-CYBMUJFWSA-N 2 1 377.468 1.188 20 0 GDADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104117 951880919 /nfs/dbraw/zinc/88/09/19/951880919.db2.gz BNPFEHPGOWRCRB-QAPCUYQASA-N 2 1 385.516 1.583 20 0 GDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171774 952796875 /nfs/dbraw/zinc/79/68/75/952796875.db2.gz GHWLRALQRHRMCB-INIZCTEOSA-N 2 1 380.456 1.010 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000414318877 531438580 /nfs/dbraw/zinc/43/85/80/531438580.db2.gz YHILEICDNRDZGV-CHWSQXEVSA-N 2 1 388.331 1.813 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000414318877 531438585 /nfs/dbraw/zinc/43/85/85/531438585.db2.gz YHILEICDNRDZGV-CHWSQXEVSA-N 2 1 388.331 1.813 20 0 GDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414303786 531438904 /nfs/dbraw/zinc/43/89/04/531438904.db2.gz DQSPPWIMGDNVIS-LBPRGKRZSA-N 2 1 376.320 1.528 20 0 GDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414303786 531438910 /nfs/dbraw/zinc/43/89/10/531438910.db2.gz DQSPPWIMGDNVIS-LBPRGKRZSA-N 2 1 376.320 1.528 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](CCO)Cc2cccc(Br)c2)C1 ZINC000414755633 531462945 /nfs/dbraw/zinc/46/29/45/531462945.db2.gz HXNLKGPHYFEIHE-HNNXBMFYSA-N 2 1 384.318 1.441 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415357574 531478574 /nfs/dbraw/zinc/47/85/74/531478574.db2.gz SGUZZHJZBJUVMK-NSHDSACASA-N 2 1 383.290 1.256 20 0 GDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)ccc1Cl ZINC000415838434 531540073 /nfs/dbraw/zinc/54/00/73/531540073.db2.gz NSMTZCMBKWIOEQ-GFCCVEGCSA-N 2 1 380.798 1.736 20 0 GDADMP C[N@H+]1CCN(CC[NH2+]Cc2cnn3cc(Br)cnc23)CC1(C)C ZINC000639136511 531682809 /nfs/dbraw/zinc/68/28/09/531682809.db2.gz MWGGRJZYQRIGPC-UHFFFAOYSA-N 2 1 381.322 1.607 20 0 GDADMP C[C@@H](c1ncc(Br)cn1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641175362 531783197 /nfs/dbraw/zinc/78/31/97/531783197.db2.gz KMXJMAIQHAYJLO-NSHDSACASA-N 2 1 380.294 1.406 20 0 GDADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595949440 531895025 /nfs/dbraw/zinc/89/50/25/531895025.db2.gz DKVRNSXQIMMKKD-IONNQARKSA-N 2 1 391.278 1.684 20 0 GDADMP CC1([NH3+])CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC1 ZINC000595948753 531895156 /nfs/dbraw/zinc/89/51/56/531895156.db2.gz AWTHJSLOCRMTFG-UHFFFAOYSA-N 2 1 391.278 1.909 20 0 GDADMP CN(CC(C)(C)[NH3+])C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595962854 531899793 /nfs/dbraw/zinc/89/97/93/531899793.db2.gz VUWUIKXMVQBYCJ-UHFFFAOYSA-N 2 1 379.267 1.765 20 0 GDADMP C[N@H+](C[C@H](O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000625796662 531915208 /nfs/dbraw/zinc/91/52/08/531915208.db2.gz KZJUWHOCKKLKPN-MSOLQXFVSA-N 2 1 383.330 1.714 20 0 GDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000625796662 531915214 /nfs/dbraw/zinc/91/52/14/531915214.db2.gz KZJUWHOCKKLKPN-MSOLQXFVSA-N 2 1 383.330 1.714 20 0 GDADMP C[N@H+](C[C@H](O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000625796664 531915900 /nfs/dbraw/zinc/91/59/00/531915900.db2.gz KZJUWHOCKKLKPN-QZTJIDSGSA-N 2 1 383.330 1.714 20 0 GDADMP C[N@@H+](C[C@H](O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000625796664 531915907 /nfs/dbraw/zinc/91/59/07/531915907.db2.gz KZJUWHOCKKLKPN-QZTJIDSGSA-N 2 1 383.330 1.714 20 0 GDADMP CC1(C)CN(CCS(=O)(=O)CC[N@@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000377230408 532249487 /nfs/dbraw/zinc/24/94/87/532249487.db2.gz AYHVHCIHXZEGBO-UHFFFAOYSA-N 2 1 376.563 1.403 20 0 GDADMP CC1(C)CN(CCS(=O)(=O)CC[N@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000377230408 532249493 /nfs/dbraw/zinc/24/94/93/532249493.db2.gz AYHVHCIHXZEGBO-UHFFFAOYSA-N 2 1 376.563 1.403 20 0 GDADMP Cc1noc(CCC[N@H+](C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)n1 ZINC000512505790 570963577 /nfs/dbraw/zinc/96/35/77/570963577.db2.gz BYBXTPRLOPLIHG-GJZGRUSLSA-N 2 1 377.468 1.715 20 0 GDADMP Cc1noc(CCC[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)n1 ZINC000512505790 570963580 /nfs/dbraw/zinc/96/35/80/570963580.db2.gz BYBXTPRLOPLIHG-GJZGRUSLSA-N 2 1 377.468 1.715 20 0 GDADMP Cc1noc(CCC[N@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)n1 ZINC000512505790 570963583 /nfs/dbraw/zinc/96/35/83/570963583.db2.gz BYBXTPRLOPLIHG-GJZGRUSLSA-N 2 1 377.468 1.715 20 0 GDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000530881316 649982954 /nfs/dbraw/zinc/98/29/54/649982954.db2.gz PZBMXBSKPLYELD-UHFFFAOYSA-N 2 1 382.306 1.891 20 0 GDADMP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccccc1Br ZINC000420350777 645940818 /nfs/dbraw/zinc/94/08/18/645940818.db2.gz UUTOAGUQTDPEDG-AWEZNQCLSA-N 2 1 381.318 1.757 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(Br)cnc1OC)C2 ZINC000903494520 659318503 /nfs/dbraw/zinc/31/85/03/659318503.db2.gz IFNDLJROPBWOOK-GHJWDPDVSA-N 2 1 384.274 1.565 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(Br)cnc1OC)C2 ZINC000903494520 659318513 /nfs/dbraw/zinc/31/85/13/659318513.db2.gz IFNDLJROPBWOOK-GHJWDPDVSA-N 2 1 384.274 1.565 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000470005544 647719364 /nfs/dbraw/zinc/71/93/64/647719364.db2.gz YZLUJSDRCCLRDW-LBPRGKRZSA-N 2 1 384.274 1.465 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000470005544 647719369 /nfs/dbraw/zinc/71/93/69/647719369.db2.gz YZLUJSDRCCLRDW-LBPRGKRZSA-N 2 1 384.274 1.465 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1Br ZINC000487875802 647955561 /nfs/dbraw/zinc/95/55/61/647955561.db2.gz GPPWIINGGWEWQO-UHFFFAOYSA-N 2 1 399.333 1.906 20 0 GDADMP C[C@@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)C[C@H]1C[NH3+] ZINC000602589669 652642432 /nfs/dbraw/zinc/64/24/32/652642432.db2.gz AUHNVJKYSDOCRC-HTQZYQBOSA-N 2 1 391.278 1.623 20 0 GDADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796297 653045553 /nfs/dbraw/zinc/04/55/53/653045553.db2.gz JFWBBPZELSLXFT-QZTJIDSGSA-N 2 1 385.346 1.960 20 0 GDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796297 653045555 /nfs/dbraw/zinc/04/55/55/653045555.db2.gz JFWBBPZELSLXFT-QZTJIDSGSA-N 2 1 385.346 1.960 20 0 GDADMP C[NH+](C)C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637470660 653529346 /nfs/dbraw/zinc/52/93/46/653529346.db2.gz BDGAWPBJWOZWIV-CZUORRHYSA-N 2 1 389.327 1.962 20 0 GDADMP Cc1nn(C)c(Br)c1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000801137276 654909658 /nfs/dbraw/zinc/90/96/58/654909658.db2.gz BQAIXTCHHAJTCN-UHFFFAOYSA-N 2 1 393.289 1.890 20 0 GDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819004292 655383121 /nfs/dbraw/zinc/38/31/21/655383121.db2.gz NCCSFYZCDJKYAO-CJNGLKHVSA-N 2 1 384.318 1.660 20 0 GDADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000854222237 655658800 /nfs/dbraw/zinc/65/88/00/655658800.db2.gz CRCPMZXYTGEBIM-ZDUSSCGKSA-N 2 1 389.543 1.334 20 0 GDADMP CN1CC[NH+](C2CCN(C(=O)[C@H]([NH3+])c3ccccc3Br)CC2)CC1 ZINC000870981640 656259464 /nfs/dbraw/zinc/25/94/64/656259464.db2.gz NLKUJTKPMGFPQF-QGZVFWFLSA-N 2 1 395.345 1.687 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(N)nc(Br)c1 ZINC000874266706 656456726 /nfs/dbraw/zinc/45/67/26/656456726.db2.gz OXYPWALEPCXEMX-CQSZACIVSA-N 2 1 398.349 1.914 20 0 GDADMP CCC[N@@H+](C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CC[NH2+]CC1 ZINC000923328287 656545573 /nfs/dbraw/zinc/54/55/73/656545573.db2.gz VPSGBWPTYQZWHB-INIZCTEOSA-N 2 1 375.579 1.452 20 0 GDADMP C[NH+](C)C[C@H](N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000876777983 656630292 /nfs/dbraw/zinc/63/02/92/656630292.db2.gz VLUHBFFALFYRIM-INIZCTEOSA-N 2 1 383.334 1.419 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924945420 656687968 /nfs/dbraw/zinc/68/79/68/656687968.db2.gz GTHVRBACQYTXAN-OAHLLOKOSA-N 2 1 381.318 1.975 20 0 GDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878158560 656709529 /nfs/dbraw/zinc/70/95/29/656709529.db2.gz JGYDDUHWKPHBIM-OLZOCXBDSA-N 2 1 376.295 1.903 20 0 GDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878158560 656709532 /nfs/dbraw/zinc/70/95/32/656709532.db2.gz JGYDDUHWKPHBIM-OLZOCXBDSA-N 2 1 376.295 1.903 20 0 GDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894260566 658528677 /nfs/dbraw/zinc/52/86/77/658528677.db2.gz MPUQVXQXKXJTTA-AWEZNQCLSA-N 2 1 388.965 1.960 20 0 GDADMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(C)nc1I ZINC000894483446 658567745 /nfs/dbraw/zinc/56/77/45/658567745.db2.gz MJQCNFBCYZLMML-GFCCVEGCSA-N 2 1 391.301 1.140 20 0 GDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905286896 659440203 /nfs/dbraw/zinc/44/02/03/659440203.db2.gz SWYGGJYOBOBGEF-JKSUJKDBSA-N 2 1 375.579 1.309 20 0 GDADMP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4ccc(N5CC[NH2+]CC5)nn4)[C@@H]3C2)cc1 ZINC001164620435 719063872 /nfs/dbraw/zinc/06/38/72/719063872.db2.gz DYOZHERXCYYLLN-VQTJNVASSA-N 2 1 378.524 1.987 20 0 GDADMP COC(=O)c1cc(F)c(C)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683414 719622796 /nfs/dbraw/zinc/62/27/96/719622796.db2.gz SGTICGDVHCJEKE-UHFFFAOYSA-N 2 1 375.448 1.987 20 0 GDADMP COC(=O)c1cc(F)c(C)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683414 719622801 /nfs/dbraw/zinc/62/28/01/719622801.db2.gz SGTICGDVHCJEKE-UHFFFAOYSA-N 2 1 375.448 1.987 20 0 GDADMP CCNC(=O)c1cc(Cl)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681027 719653197 /nfs/dbraw/zinc/65/31/97/719653197.db2.gz LTYMVJVTTZADEP-UHFFFAOYSA-N 2 1 391.907 1.551 20 0 GDADMP CCNC(=O)c1cc(Cl)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681027 719653202 /nfs/dbraw/zinc/65/32/02/719653202.db2.gz LTYMVJVTTZADEP-UHFFFAOYSA-N 2 1 391.907 1.551 20 0 GDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001164807094 720123438 /nfs/dbraw/zinc/12/34/38/720123438.db2.gz BIYNDJRRVJLDHL-WIYYLYMNSA-N 2 1 386.544 1.071 20 0 GDADMP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164818689 720286322 /nfs/dbraw/zinc/28/63/22/720286322.db2.gz MDCNFHRIETVBSR-QZTJIDSGSA-N 2 1 386.544 1.844 20 0 GDADMP O=C(c1cccnc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1)N1CC[NH2+]CC1 ZINC001164722570 720407663 /nfs/dbraw/zinc/40/76/63/720407663.db2.gz DMVRLYFZGSUTKV-VQTJNVASSA-N 2 1 392.507 1.375 20 0 GDADMP c1cc(C2CC[NH2+]CC2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737165 720735312 /nfs/dbraw/zinc/73/53/12/720735312.db2.gz AGGNIGDZANDFMS-SJORKVTESA-N 2 1 381.484 1.076 20 0 GDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741333 720838237 /nfs/dbraw/zinc/83/82/37/720838237.db2.gz FCQISMPGRQLGID-WSTZPKSXSA-N 2 1 394.527 1.093 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)C[C@H]3C2)cn1 ZINC001164765776 721181920 /nfs/dbraw/zinc/18/19/20/721181920.db2.gz IGFFGAIXZMIRIM-RTBURBONSA-N 3 1 395.555 1.701 20 0 GDADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cccc(N5CCC([NH3+])CC5)n4)C[C@H]3C2)cn1 ZINC001164765776 721181927 /nfs/dbraw/zinc/18/19/27/721181927.db2.gz IGFFGAIXZMIRIM-RTBURBONSA-N 2 1 395.555 1.701 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(N5CCC([NH3+])CC5)n4)C[C@H]3C2)cn1 ZINC001164765776 721181933 /nfs/dbraw/zinc/18/19/33/721181933.db2.gz IGFFGAIXZMIRIM-RTBURBONSA-N 2 1 395.555 1.701 20 0 GDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3c(nn2)CC[NH2+]C3)[C@H]2CCCO[C@@H]12 ZINC001164807261 721566289 /nfs/dbraw/zinc/56/62/89/721566289.db2.gz SBQZIUYLYVFKON-QKNQBKEWSA-N 2 1 380.496 1.386 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3c(nn2)CC[NH2+]C3)[C@H]2CCCO[C@@H]12 ZINC001164807261 721566293 /nfs/dbraw/zinc/56/62/93/721566293.db2.gz SBQZIUYLYVFKON-QKNQBKEWSA-N 2 1 380.496 1.386 20 0 GDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281198 945800986 /nfs/dbraw/zinc/80/09/86/945800986.db2.gz FFDYODMUGGRZFL-CSMYWGQOSA-N 2 1 387.463 1.037 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574925599 948975072 /nfs/dbraw/zinc/97/50/72/948975072.db2.gz BMQZJSIHGLEQIG-CYBMUJFWSA-N 2 1 375.452 1.038 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574926023 948982547 /nfs/dbraw/zinc/98/25/47/948982547.db2.gz GNGYXRRBKMUQEW-ZDUSSCGKSA-N 2 1 391.495 1.578 20 0 GDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574704218 949373359 /nfs/dbraw/zinc/37/33/59/949373359.db2.gz BAOPCHMJLDSXNS-ZFWWWQNUSA-N 2 1 391.545 1.738 20 0 GDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574704217 949374333 /nfs/dbraw/zinc/37/43/33/949374333.db2.gz BAOPCHMJLDSXNS-UKRRQHHQSA-N 2 1 391.545 1.738 20 0 GDADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574947836 949454636 /nfs/dbraw/zinc/45/46/36/949454636.db2.gz DVNXERZEWQKNER-AWEZNQCLSA-N 2 1 382.472 1.481 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574707878 949480948 /nfs/dbraw/zinc/48/09/48/949480948.db2.gz RKFWCVPINSEPQW-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574955205 949568308 /nfs/dbraw/zinc/56/83/08/949568308.db2.gz CGSIZNJZPCDEJL-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574955205 949568323 /nfs/dbraw/zinc/56/83/23/949568323.db2.gz CGSIZNJZPCDEJL-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574955205 949568337 /nfs/dbraw/zinc/56/83/37/949568337.db2.gz CGSIZNJZPCDEJL-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574955205 949568343 /nfs/dbraw/zinc/56/83/43/949568343.db2.gz CGSIZNJZPCDEJL-XJKCOSOUSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575873731 949585676 /nfs/dbraw/zinc/58/56/76/949585676.db2.gz CDIKBUKWUONTGW-CRAIPNDOSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576192826 950265787 /nfs/dbraw/zinc/26/57/87/950265787.db2.gz PSNXRMXQPKNHFH-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576193284 950291364 /nfs/dbraw/zinc/29/13/64/950291364.db2.gz SCOGSSNMPDCFKM-OLZOCXBDSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196201 950351999 /nfs/dbraw/zinc/35/19/99/950351999.db2.gz ANJPHQMWEUQIQX-NVXWUHKLSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196979 950378477 /nfs/dbraw/zinc/37/84/77/950378477.db2.gz KWIIQFQBDIZIHT-QAPCUYQASA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576197430 950392659 /nfs/dbraw/zinc/39/26/59/950392659.db2.gz NMZGTPRBMTYYPE-KBPBESRZSA-N 2 1 389.529 1.351 20 0 GDADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576205044 950490838 /nfs/dbraw/zinc/49/08/38/950490838.db2.gz FWBFJPGTGMYQEA-ZIAGYGMSSA-N 2 1 389.479 1.332 20 0 GDADMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576205947 950547327 /nfs/dbraw/zinc/54/73/27/950547327.db2.gz RNVDJVMLJGDSQB-CRAIPNDOSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576215481 950706960 /nfs/dbraw/zinc/70/69/60/950706960.db2.gz VPJYSTYFTHPCJB-RCBQFDQVSA-N 2 1 387.463 1.084 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571234697 953204512 /nfs/dbraw/zinc/20/45/12/953204512.db2.gz GDXKLZHVLDLEEI-WBVHZDCISA-N 2 1 383.500 1.145 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571234697 953204514 /nfs/dbraw/zinc/20/45/14/953204514.db2.gz GDXKLZHVLDLEEI-WBVHZDCISA-N 2 1 383.500 1.145 20 0 GDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571234697 953204517 /nfs/dbraw/zinc/20/45/17/953204517.db2.gz GDXKLZHVLDLEEI-WBVHZDCISA-N 2 1 383.500 1.145 20 0 GDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N3CCOCC3)s1)C2 ZINC000922388348 1126135044 /nfs/dbraw/zinc/13/50/44/1126135044.db2.gz PFYAWTYBYSFWMS-VXIBKDFQSA-N 2 1 380.558 1.549 20 0 GDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000473997425 531265441 /nfs/dbraw/zinc/26/54/41/531265441.db2.gz XBNRTGKAKWJUCS-QGZVFWFLSA-N 2 1 384.318 1.442 20 0 GDADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000473997425 531265447 /nfs/dbraw/zinc/26/54/47/531265447.db2.gz XBNRTGKAKWJUCS-QGZVFWFLSA-N 2 1 384.318 1.442 20 0 GDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000414125047 531431167 /nfs/dbraw/zinc/43/11/67/531431167.db2.gz PXYMRYMLSZMVRW-GDBMZVCRSA-N 2 1 386.334 1.682 20 0 GDADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000545457757 531492430 /nfs/dbraw/zinc/49/24/30/531492430.db2.gz VQQCLYIUHVYQSL-MRXNPFEDSA-N 2 1 398.345 1.874 20 0 GDADMP C[NH2+][C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(Cl)c1Cl ZINC000638496288 531656776 /nfs/dbraw/zinc/65/67/76/531656776.db2.gz SCPYMJOOGSCRAP-ZFWWWQNUSA-N 2 1 387.311 1.710 20 0 GDADMP C[NH2+][C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(Cl)c1Cl ZINC000638496288 531656785 /nfs/dbraw/zinc/65/67/85/531656785.db2.gz SCPYMJOOGSCRAP-ZFWWWQNUSA-N 2 1 387.311 1.710 20 0 GDADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@H]3CNS(C)(=O)=O)sc2C1 ZINC000500543769 531662337 /nfs/dbraw/zinc/66/23/37/531662337.db2.gz FMYGEBJNMBFCIO-UONOGXRCSA-N 2 1 386.587 1.717 20 0 GDADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@H]3CNS(C)(=O)=O)sc2C1 ZINC000500543769 531662346 /nfs/dbraw/zinc/66/23/46/531662346.db2.gz FMYGEBJNMBFCIO-UONOGXRCSA-N 2 1 386.587 1.717 20 0 GDADMP C[NH2+][C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662405212 531675966 /nfs/dbraw/zinc/67/59/66/531675966.db2.gz MALCCMHIDOXTFS-NHYWBVRUSA-N 2 1 387.311 1.567 20 0 GDADMP COc1ncc(Br)cc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641128243 531779740 /nfs/dbraw/zinc/77/97/40/531779740.db2.gz MLVNLXZQJIGKRH-UHFFFAOYSA-N 2 1 395.305 1.458 20 0 GDADMP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)nc12 ZINC000564873322 531869049 /nfs/dbraw/zinc/86/90/49/531869049.db2.gz NAUMBEINQPFICL-INIZCTEOSA-N 2 1 381.318 1.992 20 0 GDADMP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)C[N@H+](C)C3CC3)nc12 ZINC000564873322 531869054 /nfs/dbraw/zinc/86/90/54/531869054.db2.gz NAUMBEINQPFICL-INIZCTEOSA-N 2 1 381.318 1.992 20 0 GDADMP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595960008 531898102 /nfs/dbraw/zinc/89/81/02/531898102.db2.gz RMXGCECISMEATF-YUMQZZPRSA-N 2 1 391.278 1.908 20 0 GDADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000284311704 531947155 /nfs/dbraw/zinc/94/71/55/531947155.db2.gz ZBRLULQJCBRYIY-YOEHRIQHSA-N 2 1 384.571 1.021 20 0 GDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sccc1-c1nn[nH]n1 ZINC000736571893 598231345 /nfs/dbraw/zinc/23/13/45/598231345.db2.gz SVXMXKRYWFMBAX-CYBMUJFWSA-N 2 1 377.518 1.416 20 0 GDADMP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C2 ZINC000738450673 598569033 /nfs/dbraw/zinc/56/90/33/598569033.db2.gz UKGUYHHTVZNKNL-IAGOWNOFSA-N 2 1 399.547 1.739 20 0 GDADMP CN(CC(=O)[O-])C(=O)CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000830727068 601156411 /nfs/dbraw/zinc/15/64/11/601156411.db2.gz IQOOHGZXHIZCLJ-UHFFFAOYSA-N 2 1 382.549 1.048 20 0 GDADMP CN(CC(=O)[O-])C(=O)CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000830727068 601156413 /nfs/dbraw/zinc/15/64/13/601156413.db2.gz IQOOHGZXHIZCLJ-UHFFFAOYSA-N 2 1 382.549 1.048 20 0 GDADMP C[C@H]1C[N@@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824983985 608170642 /nfs/dbraw/zinc/17/06/42/608170642.db2.gz FLXMOTVYQRZEIL-PXNSSMCTSA-N 2 1 399.543 1.593 20 0 GDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000825594010 608281838 /nfs/dbraw/zinc/28/18/38/608281838.db2.gz HKHSFCBOWZLRRA-QFBILLFUSA-N 2 1 388.516 1.972 20 0 GDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826390289 608509395 /nfs/dbraw/zinc/50/93/95/608509395.db2.gz VYBHHZKSCHNMRQ-AEFFLSMTSA-N 2 1 383.500 1.421 20 0 GDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ccc(Br)cc1 ZINC000104182276 644605415 /nfs/dbraw/zinc/60/54/15/644605415.db2.gz MFWKTQQUBFLYOW-UHFFFAOYSA-N 2 1 385.306 1.455 20 0 GDADMP C[NH2+]C(C)(C)CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455912237 647392152 /nfs/dbraw/zinc/39/21/52/647392152.db2.gz WHJPGLVKALPHNV-UHFFFAOYSA-N 2 1 399.337 1.715 20 0 GDADMP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000466815194 647618900 /nfs/dbraw/zinc/61/89/00/647618900.db2.gz LQGWFNKEYXDTTH-UHFFFAOYSA-N 2 1 385.306 1.517 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cc1Br ZINC000467185914 647636106 /nfs/dbraw/zinc/63/61/06/647636106.db2.gz JSUIRUNLIJQXTM-UHFFFAOYSA-N 2 1 399.333 1.954 20 0 GDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000484984260 647921725 /nfs/dbraw/zinc/92/17/25/647921725.db2.gz BVZFFOARLNMKSL-UONOGXRCSA-N 2 1 384.318 1.955 20 0 GDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000484984260 647921729 /nfs/dbraw/zinc/92/17/29/647921729.db2.gz BVZFFOARLNMKSL-UONOGXRCSA-N 2 1 384.318 1.955 20 0 GDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000515069069 648479354 /nfs/dbraw/zinc/47/93/54/648479354.db2.gz XCDKIMXUCWYUAH-MLGOLLRUSA-N 2 1 385.306 1.465 20 0 GDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000573516551 651482183 /nfs/dbraw/zinc/48/21/83/651482183.db2.gz JRKWHXCZCLKGSE-JTQLQIEISA-N 2 1 387.303 1.723 20 0 GDADMP [NH3+]C[C@@H]1CCCCN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595919675 652426883 /nfs/dbraw/zinc/42/68/83/652426883.db2.gz LYISYJQVRQZJEU-QMMMGPOBSA-N 2 1 391.278 1.909 20 0 GDADMP C[C@](C[NH3+])(NC(=O)c1sc2c(c1I)C[NH2+]C2)C1CC1 ZINC000595923660 652426980 /nfs/dbraw/zinc/42/69/80/652426980.db2.gz AVBVVQQNRUYREP-CYBMUJFWSA-N 2 1 391.278 1.813 20 0 GDADMP C[C@H]1[NH2+]CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)[C@@H]1C ZINC000595952098 652429562 /nfs/dbraw/zinc/42/95/62/652429562.db2.gz WVAGFLOYJAYEML-HTQZYQBOSA-N 2 1 391.278 1.778 20 0 GDADMP C[S@@](=O)C1(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC[NH2+]CC1 ZINC000602476355 652638949 /nfs/dbraw/zinc/63/89/49/652638949.db2.gz ODWIIKPAAXEIBQ-RUZDIDTESA-N 2 1 387.615 1.355 20 0 GDADMP O=C([C@H]1CCC[N@H+](CCOc2ccccc2Br)C1)N1CC[NH2+]CC1 ZINC000647825605 653635539 /nfs/dbraw/zinc/63/55/39/653635539.db2.gz RKRLRWBYEMHYDB-HNNXBMFYSA-N 2 1 396.329 1.972 20 0 GDADMP O=C(C[NH2+][C@H](CO)c1ccc(Br)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000679832596 654707166 /nfs/dbraw/zinc/70/71/66/654707166.db2.gz RQVYPKZYGGKDSG-QGZVFWFLSA-N 2 1 396.329 1.815 20 0 GDADMP Cn1nc(Br)cc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000785448120 654917693 /nfs/dbraw/zinc/91/76/93/654917693.db2.gz SRXDOBYAQNMVSF-UHFFFAOYSA-N 2 1 394.317 1.764 20 0 GDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000818083060 655365920 /nfs/dbraw/zinc/36/59/20/655365920.db2.gz SZOYXVUYRVQHMO-ZDUSSCGKSA-N 2 1 390.531 1.106 20 0 GDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000818083060 655365923 /nfs/dbraw/zinc/36/59/23/655365923.db2.gz SZOYXVUYRVQHMO-ZDUSSCGKSA-N 2 1 390.531 1.106 20 0 GDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)c1ccccc1Br ZINC000849115887 655517484 /nfs/dbraw/zinc/51/74/84/655517484.db2.gz DPHBDPUZUGNUTC-HNNXBMFYSA-N 2 1 385.306 1.319 20 0 GDADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1sc2c(c1Br)C[NH2+]C2 ZINC000852798444 655622928 /nfs/dbraw/zinc/62/29/28/655622928.db2.gz KGEXGUJHZYUPBH-ZJUUUORDSA-N 2 1 386.315 1.707 20 0 GDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1sc2c(c1Br)C[NH2+]C2 ZINC000852798444 655622929 /nfs/dbraw/zinc/62/29/29/655622929.db2.gz KGEXGUJHZYUPBH-ZJUUUORDSA-N 2 1 386.315 1.707 20 0 GDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870856350 656250465 /nfs/dbraw/zinc/25/04/65/656250465.db2.gz VZLGOJKYBLQIAG-JKSUJKDBSA-N 2 1 384.318 1.922 20 0 GDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)s3)C2)[C@@H]1C(C)C ZINC000922395576 656474050 /nfs/dbraw/zinc/47/40/50/656474050.db2.gz TZGLLTDBLYFAPD-TXCZRRACSA-N 2 1 387.571 1.355 20 0 GDADMP Cn1ncc(I)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000894260192 658529264 /nfs/dbraw/zinc/52/92/64/658529264.db2.gz LLUQSHNMBQQIGW-GFCCVEGCSA-N 2 1 392.285 1.351 20 0 GDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1ccc(Br)cc1)C2 ZINC000903490904 659317915 /nfs/dbraw/zinc/31/79/15/659317915.db2.gz MGVFAMRKAZAYCX-PPHDSNJXSA-N 2 1 396.285 1.600 20 0 GDADMP C[C@H](NC(=O)[C@@H]([NH3+])c1ccccc1I)[C@H]1CCC[NH2+]C1 ZINC000911724467 660017487 /nfs/dbraw/zinc/01/74/87/660017487.db2.gz CPTBALHNWFWYGX-MJVIPROJSA-N 2 1 387.265 1.795 20 0 GDADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]([NH3+])c2ccccc2I)CC1 ZINC000911761444 660018074 /nfs/dbraw/zinc/01/80/74/660018074.db2.gz PVPSJUTXIGSMFD-QMTHXVAHSA-N 2 1 387.265 1.877 20 0 GDADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)C2)cc1 ZINC001164404269 718862494 /nfs/dbraw/zinc/86/24/94/718862494.db2.gz PDUXNHAJEFUVEE-GHTZIAJQSA-N 2 1 379.508 1.850 20 0 GDADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)C2)cc1 ZINC001164404269 718862495 /nfs/dbraw/zinc/86/24/95/718862495.db2.gz PDUXNHAJEFUVEE-GHTZIAJQSA-N 2 1 379.508 1.850 20 0 GDADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(N5CC[NH2+]CC5)nn4)[C@H]3C2)cc1 ZINC001164620434 719064491 /nfs/dbraw/zinc/06/44/91/719064491.db2.gz DYOZHERXCYYLLN-UXHICEINSA-N 2 1 378.524 1.987 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)n4)C[C@@H]3C2)cn1 ZINC001164764047 721160216 /nfs/dbraw/zinc/16/02/16/721160216.db2.gz GQUMFGFICVVMBQ-UXHICEINSA-N 2 1 395.555 1.525 20 0 GDADMP c1csc(C[NH+]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)C[C@@H]3C2)n1 ZINC001164783960 721428115 /nfs/dbraw/zinc/42/81/15/721428115.db2.gz KCYXKLJMMNSQMF-GJZGRUSLSA-N 2 1 386.525 1.632 20 0 GDADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574917815 948829490 /nfs/dbraw/zinc/82/94/90/948829490.db2.gz CFZGROWHJYQWAS-ZDUSSCGKSA-N 2 1 377.468 1.284 20 0 GDADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574925546 948972283 /nfs/dbraw/zinc/97/22/83/948972283.db2.gz AYTDQRRYRMLBCU-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574925546 948972293 /nfs/dbraw/zinc/97/22/93/948972293.db2.gz AYTDQRRYRMLBCU-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574925546 948972305 /nfs/dbraw/zinc/97/23/05/948972305.db2.gz AYTDQRRYRMLBCU-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704381 949384749 /nfs/dbraw/zinc/38/47/49/949384749.db2.gz BTVVPWLKSINDMG-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574705303 949419667 /nfs/dbraw/zinc/41/96/67/949419667.db2.gz HJFGIEFIPKABLH-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574706831 949461970 /nfs/dbraw/zinc/46/19/70/949461970.db2.gz MYFBZTYYDXHNGV-MLGOLLRUSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268521 949523104 /nfs/dbraw/zinc/52/31/04/949523104.db2.gz NHMCEQRBGBLNDU-CHWSQXEVSA-N 2 1 389.529 1.207 20 0 GDADMP C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575270438 949588518 /nfs/dbraw/zinc/58/85/18/949588518.db2.gz ZQQIDBYCYKCUDP-LSDHHAIUSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574957032 949597387 /nfs/dbraw/zinc/59/73/87/949597387.db2.gz QNDNCRXNDQQRIM-UMVBOHGHSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574957032 949597397 /nfs/dbraw/zinc/59/73/97/949597397.db2.gz QNDNCRXNDQQRIM-UMVBOHGHSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574957032 949597415 /nfs/dbraw/zinc/59/74/15/949597415.db2.gz QNDNCRXNDQQRIM-UMVBOHGHSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575271362 949620313 /nfs/dbraw/zinc/62/03/13/949620313.db2.gz JWMKPICFWLPRLV-CRAIPNDOSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574715971 949672462 /nfs/dbraw/zinc/67/24/62/949672462.db2.gz GQQKVTFHNYRBFD-KGLIPLIRSA-N 2 1 391.545 1.739 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575878337 949681614 /nfs/dbraw/zinc/68/16/14/949681614.db2.gz OOWQVKTZTZCIOH-QAPCUYQASA-N 2 1 383.500 1.432 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575878337 949681624 /nfs/dbraw/zinc/68/16/24/949681624.db2.gz OOWQVKTZTZCIOH-QAPCUYQASA-N 2 1 383.500 1.432 20 0 GDADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576170333 949712607 /nfs/dbraw/zinc/71/26/07/949712607.db2.gz KIBXAJFSJWNJEQ-PBHICJAKSA-N 2 1 386.504 1.063 20 0 GDADMP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574716858 949715458 /nfs/dbraw/zinc/71/54/58/949715458.db2.gz RLPHURBRZUGJRC-ZFWWWQNUSA-N 2 1 389.479 1.284 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574150991 950051457 /nfs/dbraw/zinc/05/14/57/950051457.db2.gz ITFDHMMOQJOQLH-ZWKOTPCHSA-N 2 1 385.516 1.581 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574150988 950052666 /nfs/dbraw/zinc/05/26/66/950052666.db2.gz ITFDHMMOQJOQLH-MSOLQXFVSA-N 2 1 385.516 1.581 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196400 950358051 /nfs/dbraw/zinc/35/80/51/950358051.db2.gz COFQJCOIZONVLH-DOTOQJQBSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576196944 950377175 /nfs/dbraw/zinc/37/71/75/950377175.db2.gz JWNOKONWRUYIID-DOTOQJQBSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576196961 950377625 /nfs/dbraw/zinc/37/76/25/950377625.db2.gz KMLBIDQGMLDZDO-MRXNPFEDSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576196961 950377649 /nfs/dbraw/zinc/37/76/49/950377649.db2.gz KMLBIDQGMLDZDO-MRXNPFEDSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576196961 950377672 /nfs/dbraw/zinc/37/76/72/950377672.db2.gz KMLBIDQGMLDZDO-MRXNPFEDSA-N 2 1 385.516 1.489 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576197281 950389948 /nfs/dbraw/zinc/38/99/48/950389948.db2.gz MQYRLMHTEPQMKU-CZUORRHYSA-N 2 1 387.463 1.038 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001576202585 950432168 /nfs/dbraw/zinc/43/21/68/950432168.db2.gz BNZTZQAKTHAIHG-OLZOCXBDSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576202585 950432187 /nfs/dbraw/zinc/43/21/87/950432187.db2.gz BNZTZQAKTHAIHG-OLZOCXBDSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576202585 950432208 /nfs/dbraw/zinc/43/22/08/950432208.db2.gz BNZTZQAKTHAIHG-OLZOCXBDSA-N 2 1 377.518 1.207 20 0 GDADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001576205358 950513338 /nfs/dbraw/zinc/51/33/38/950513338.db2.gz XWLAYROFELQAPO-SFHVURJKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205856 950543964 /nfs/dbraw/zinc/54/39/64/950543964.db2.gz QMWKTTNKMMHTHB-XQJDBVBESA-N 2 1 375.502 1.032 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574521807 950782338 /nfs/dbraw/zinc/78/23/38/950782338.db2.gz HYBJSFOIBSFXQF-ZIAGYGMSSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574523470 950817832 /nfs/dbraw/zinc/81/78/32/950817832.db2.gz NWGUFBWTYFTSAC-CHWSQXEVSA-N 2 1 391.545 1.785 20 0 GDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001574771909 950948219 /nfs/dbraw/zinc/94/82/19/950948219.db2.gz MRNCCACTTYCEMA-GUYCJALGSA-N 2 1 391.495 1.529 20 0 GDADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081817 951727975 /nfs/dbraw/zinc/72/79/75/951727975.db2.gz VYFDKXMCJASWCP-ZDUSSCGKSA-N 2 1 377.468 1.188 20 0 GDADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089109 951745458 /nfs/dbraw/zinc/74/54/58/951745458.db2.gz DMEDKNVHJQQPSS-KBPBESRZSA-N 2 1 389.479 1.190 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575098078 951819807 /nfs/dbraw/zinc/81/98/07/951819807.db2.gz AGSXYDCXFHWMCG-OCCSQVGLSA-N 2 1 377.518 1.349 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575100649 951847220 /nfs/dbraw/zinc/84/72/20/951847220.db2.gz VDHCNHYRJJLNGY-STQMWFEESA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571234222 953199638 /nfs/dbraw/zinc/19/96/38/953199638.db2.gz QCBYTYALVBNQDO-KSSFIOAISA-N 2 1 383.500 1.288 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001571234597 953203910 /nfs/dbraw/zinc/20/39/10/953203910.db2.gz CVKHNANJDLJYEX-KRWDZBQOSA-N 2 1 383.500 1.289 20 0 GDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571235021 953208000 /nfs/dbraw/zinc/20/80/00/953208000.db2.gz PYFSEFMCTMJSEN-QZTJIDSGSA-N 2 1 383.500 1.432 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001571251796 953319455 /nfs/dbraw/zinc/31/94/55/953319455.db2.gz ABJJGWDYCXNIQT-LSDHHAIUSA-N 2 1 384.488 1.031 20 0 GDADMP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571251796 953319460 /nfs/dbraw/zinc/31/94/60/953319460.db2.gz ABJJGWDYCXNIQT-LSDHHAIUSA-N 2 1 384.488 1.031 20 0 GDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(N4CCOCC4)s3)C2)[C@H]1C(C)C ZINC000922394512 1126135395 /nfs/dbraw/zinc/13/53/95/1126135395.db2.gz WWLMJSKGUUCQOJ-SOAMZJECSA-N 2 1 394.585 1.939 20 0 GDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N3CCOCC3)s1)C2 ZINC000922388351 1126134849 /nfs/dbraw/zinc/13/48/49/1126134849.db2.gz PFYAWTYBYSFWMS-VXNCWWDNSA-N 2 1 380.558 1.549 20 0 GDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261661555 531095259 /nfs/dbraw/zinc/09/52/59/531095259.db2.gz FFMYRFJXRDUFDW-DOTOQJQBSA-N 2 1 384.318 1.850 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261788801 531098975 /nfs/dbraw/zinc/09/89/75/531098975.db2.gz SURYJAKHZPDRBP-GFCCVEGCSA-N 2 1 383.290 1.175 20 0 GDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261788801 531098978 /nfs/dbraw/zinc/09/89/78/531098978.db2.gz SURYJAKHZPDRBP-GFCCVEGCSA-N 2 1 383.290 1.175 20 0 GDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000443059251 531383987 /nfs/dbraw/zinc/38/39/87/531383987.db2.gz MCXYWNIYCJUGQP-CYBMUJFWSA-N 2 1 397.317 1.565 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)cc1Br ZINC000415400882 531483513 /nfs/dbraw/zinc/48/35/13/531483513.db2.gz WMVCNYXMYRGMRY-LBPRGKRZSA-N 2 1 397.317 1.565 20 0 GDADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC[C@@H]1[NH3+] ZINC000415440947 531486233 /nfs/dbraw/zinc/48/62/33/531486233.db2.gz MVRMYXQHUIKSMV-NHYWBVRUSA-N 2 1 397.317 1.645 20 0 GDADMP C[C@H](CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C[NH+](C)C ZINC000551044431 531531864 /nfs/dbraw/zinc/53/18/64/531531864.db2.gz NINTVSBSFBVJDQ-GFCCVEGCSA-N 2 1 399.333 1.763 20 0 GDADMP [NH3+][C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccccc1Br ZINC000638986296 531680261 /nfs/dbraw/zinc/68/02/61/531680261.db2.gz ZZPNPOPLMVHMOQ-INIZCTEOSA-N 2 1 390.285 1.892 20 0 GDADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641223232 531789781 /nfs/dbraw/zinc/78/97/81/531789781.db2.gz QTQQNRCIYFBEBS-HOCLYGCPSA-N 2 1 382.306 1.790 20 0 GDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]([NH3+])c3ccccc3Br)C2)CC1 ZINC000595930399 531893424 /nfs/dbraw/zinc/89/34/24/531893424.db2.gz VTZCNMDOLSGBSQ-RHSMWYFYSA-N 2 1 395.345 1.687 20 0 GDADMP C[N@H+](C[C@@H](O)C[NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000573359030 531981808 /nfs/dbraw/zinc/98/18/08/531981808.db2.gz WYFBVTOWWHFOMF-INIZCTEOSA-N 2 1 384.318 1.614 20 0 GDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000573359030 531981816 /nfs/dbraw/zinc/98/18/16/531981816.db2.gz WYFBVTOWWHFOMF-INIZCTEOSA-N 2 1 384.318 1.614 20 0 GDADMP COCC[N@H+](C)CCCC1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632164492 532015730 /nfs/dbraw/zinc/01/57/30/532015730.db2.gz MHVUGCRKYQUUHE-UHFFFAOYSA-N 2 1 375.579 1.481 20 0 GDADMP COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632164492 532015736 /nfs/dbraw/zinc/01/57/36/532015736.db2.gz MHVUGCRKYQUUHE-UHFFFAOYSA-N 2 1 375.579 1.481 20 0 GDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423510776 532076735 /nfs/dbraw/zinc/07/67/35/532076735.db2.gz NZDYAKLXIKRJNR-OOHWJJMZSA-N 2 1 397.361 1.805 20 0 GDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000428232946 532201349 /nfs/dbraw/zinc/20/13/49/532201349.db2.gz PNXBJEHCYKWHIU-KBPBESRZSA-N 2 1 399.333 1.176 20 0 GDADMP Cc1[nH+]ccn1CCCC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000737501186 598493324 /nfs/dbraw/zinc/49/33/24/598493324.db2.gz SSPQZIJFIURVLD-UHFFFAOYSA-N 2 1 396.499 1.742 20 0 GDADMP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000738433686 598517791 /nfs/dbraw/zinc/51/77/91/598517791.db2.gz XFLXEPQEQBHYLC-MRXNPFEDSA-N 2 1 393.499 1.359 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826504581 607478647 /nfs/dbraw/zinc/47/86/47/607478647.db2.gz ZELSGVBFIJXFGB-XKGZKEIXSA-N 2 1 398.511 1.555 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826504581 607478649 /nfs/dbraw/zinc/47/86/49/607478649.db2.gz ZELSGVBFIJXFGB-XKGZKEIXSA-N 2 1 398.511 1.555 20 0 GDADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000826504581 607478651 /nfs/dbraw/zinc/47/86/51/607478651.db2.gz ZELSGVBFIJXFGB-XKGZKEIXSA-N 2 1 398.511 1.555 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825851773 607525107 /nfs/dbraw/zinc/52/51/07/607525107.db2.gz YCRNSLPRSIRNAD-SQNIBIBYSA-N 2 1 399.499 1.379 20 0 GDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821596645 606111321 /nfs/dbraw/zinc/11/13/21/606111321.db2.gz QRASFTZNPRIAGA-MRXNPFEDSA-N 2 1 383.500 1.859 20 0 GDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821596645 606111323 /nfs/dbraw/zinc/11/13/23/606111323.db2.gz QRASFTZNPRIAGA-MRXNPFEDSA-N 2 1 383.500 1.859 20 0 GDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821596645 606111325 /nfs/dbraw/zinc/11/13/25/606111325.db2.gz QRASFTZNPRIAGA-MRXNPFEDSA-N 2 1 383.500 1.859 20 0 GDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254945 606184388 /nfs/dbraw/zinc/18/43/88/606184388.db2.gz QPHMPXKFEPJLEB-JSGCOSHPSA-N 2 1 377.518 1.919 20 0 GDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254945 606184390 /nfs/dbraw/zinc/18/43/90/606184390.db2.gz QPHMPXKFEPJLEB-JSGCOSHPSA-N 2 1 377.518 1.919 20 0 GDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254945 606184392 /nfs/dbraw/zinc/18/43/92/606184392.db2.gz QPHMPXKFEPJLEB-JSGCOSHPSA-N 2 1 377.518 1.919 20 0 GDADMP C[C@@H]1C[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824984163 608170783 /nfs/dbraw/zinc/17/07/83/608170783.db2.gz HDEGBPPTYHQKIE-YLJYHZDGSA-N 2 1 399.543 1.593 20 0 GDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826390291 608509774 /nfs/dbraw/zinc/50/97/74/608509774.db2.gz VYBHHZKSCHNMRQ-SJLPKXTDSA-N 2 1 383.500 1.421 20 0 GDADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577133 609141298 /nfs/dbraw/zinc/14/12/98/609141298.db2.gz GXXHNBCKWRONTO-AWEZNQCLSA-N 2 1 375.496 1.930 20 0 GDADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000826507228 609381598 /nfs/dbraw/zinc/38/15/98/609381598.db2.gz KUTDWNPYXBPXGS-GOSISDBHSA-N 2 1 382.443 1.862 20 0 GDADMP O=C1[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477196 609415786 /nfs/dbraw/zinc/41/57/86/609415786.db2.gz XRPFQRWDWCZGCA-ZBFHGGJFSA-N 2 1 378.440 1.163 20 0 GDADMP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000547848944 650517344 /nfs/dbraw/zinc/51/73/44/650517344.db2.gz PGUMYGROLHPZDA-UHFFFAOYSA-N 2 1 376.548 1.288 20 0 GDADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423390393 646124670 /nfs/dbraw/zinc/12/46/70/646124670.db2.gz VXBPYMMUABGTNH-SCVCMEIPSA-N 2 1 376.320 1.888 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000470001500 647719131 /nfs/dbraw/zinc/71/91/31/647719131.db2.gz XFKQTZSNNJEEGM-LBPRGKRZSA-N 2 1 380.290 1.384 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000470001500 647719135 /nfs/dbraw/zinc/71/91/35/647719135.db2.gz XFKQTZSNNJEEGM-LBPRGKRZSA-N 2 1 380.290 1.384 20 0 GDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000580999008 651953613 /nfs/dbraw/zinc/95/36/13/651953613.db2.gz BSEIEZXYWDFYQD-LBPRGKRZSA-N 2 1 376.320 1.528 20 0 GDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000580999008 651953614 /nfs/dbraw/zinc/95/36/14/651953614.db2.gz BSEIEZXYWDFYQD-LBPRGKRZSA-N 2 1 376.320 1.528 20 0 GDADMP O=C(N[C@@H]1CCC[NH2+]C1)c1sc2c(c1I)C[NH2+]C2 ZINC000595919627 652426934 /nfs/dbraw/zinc/42/69/34/652426934.db2.gz LHBAACZSVJOPJQ-SSDOTTSWSA-N 2 1 377.251 1.438 20 0 GDADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000631922607 653271523 /nfs/dbraw/zinc/27/15/23/653271523.db2.gz AHHNFUDGWNXPGU-YOEHRIQHSA-N 2 1 386.587 1.649 20 0 GDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000639776689 653553775 /nfs/dbraw/zinc/55/37/75/653553775.db2.gz OTXVKNOSUMBVMU-OAHLLOKOSA-N 2 1 397.317 1.461 20 0 GDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000639776689 653553777 /nfs/dbraw/zinc/55/37/77/653553777.db2.gz OTXVKNOSUMBVMU-OAHLLOKOSA-N 2 1 397.317 1.461 20 0 GDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC[C@H]1CCOC1 ZINC000645508637 653603478 /nfs/dbraw/zinc/60/34/78/653603478.db2.gz XMJCYYGJLCTVSY-ROUUACIJSA-N 2 1 375.579 1.481 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC[C@H]1CCOC1 ZINC000645508637 653603479 /nfs/dbraw/zinc/60/34/79/653603479.db2.gz XMJCYYGJLCTVSY-ROUUACIJSA-N 2 1 375.579 1.481 20 0 GDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819004259 655383167 /nfs/dbraw/zinc/38/31/67/655383167.db2.gz LXXQVAMMKKHZPD-GOEBONIOSA-N 2 1 384.318 1.660 20 0 GDADMP COc1ccc(Br)c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000849071772 655517179 /nfs/dbraw/zinc/51/71/79/655517179.db2.gz HCFWJGLEWJXBND-UHFFFAOYSA-N 2 1 385.306 1.794 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nc(Br)ccc1F ZINC000855346393 655692442 /nfs/dbraw/zinc/69/24/42/655692442.db2.gz AAJIDRBUUJFWHH-NSHDSACASA-N 2 1 375.286 1.985 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nc(Br)ccc1F ZINC000855346393 655692444 /nfs/dbraw/zinc/69/24/44/655692444.db2.gz AAJIDRBUUJFWHH-NSHDSACASA-N 2 1 375.286 1.985 20 0 GDADMP Cn1cc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Br)n1 ZINC000858117134 655744641 /nfs/dbraw/zinc/74/46/41/655744641.db2.gz ARERCUURLVKDQG-UHFFFAOYSA-N 2 1 393.333 1.880 20 0 GDADMP COc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Br ZINC000872254400 656321829 /nfs/dbraw/zinc/32/18/29/656321829.db2.gz CFDNEYCCWOGCBB-XPKDYRNWSA-N 2 1 396.285 1.825 20 0 GDADMP COc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Br ZINC000872254400 656321833 /nfs/dbraw/zinc/32/18/33/656321833.db2.gz CFDNEYCCWOGCBB-XPKDYRNWSA-N 2 1 396.285 1.825 20 0 GDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@H]1C[NH3+] ZINC000923383006 656547918 /nfs/dbraw/zinc/54/79/18/656547918.db2.gz PACWRYOYQROGHE-QKPAOTATSA-N 2 1 375.579 1.293 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000923413141 656551198 /nfs/dbraw/zinc/55/11/98/656551198.db2.gz CBWAPYZMKMZCLJ-WCVJEAGWSA-N 2 1 396.285 1.349 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000923413141 656551204 /nfs/dbraw/zinc/55/12/04/656551204.db2.gz CBWAPYZMKMZCLJ-WCVJEAGWSA-N 2 1 396.285 1.349 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)CC1 ZINC000880217905 656874963 /nfs/dbraw/zinc/87/49/63/656874963.db2.gz BNLQUNDBUQZHHP-MAEOIBBWSA-N 2 1 396.329 1.553 20 0 GDADMP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000884362527 657350381 /nfs/dbraw/zinc/35/03/81/657350381.db2.gz MVRYTWALDHIRRF-BDAKNGLRSA-N 2 1 391.278 1.812 20 0 GDADMP C[C@@H](CNC(=O)C[N@H+]1C[C@@H]2CSC[C@]2(C)C1)[NH+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934770464 657375766 /nfs/dbraw/zinc/37/57/66/657375766.db2.gz YWOFMACIVJPBFZ-CFRSGVNKSA-N 2 1 383.627 1.861 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H]2CSC[C@]2(C)C1)[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934770464 657375771 /nfs/dbraw/zinc/37/57/71/657375771.db2.gz YWOFMACIVJPBFZ-CFRSGVNKSA-N 2 1 383.627 1.861 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1C[C@@H]2CSC[C@]2(C)C1)[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934770464 657375774 /nfs/dbraw/zinc/37/57/74/657375774.db2.gz YWOFMACIVJPBFZ-CFRSGVNKSA-N 2 1 383.627 1.861 20 0 GDADMP Cn1nc(Br)nc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000895000513 658646619 /nfs/dbraw/zinc/64/66/19/658646619.db2.gz ZPAUSUMLLYHDMF-UHFFFAOYSA-N 2 1 394.317 1.694 20 0 GDADMP C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000903230146 659308198 /nfs/dbraw/zinc/30/81/98/659308198.db2.gz WDNMIWQSAQGMEO-CQSZACIVSA-N 2 1 391.559 1.335 20 0 GDADMP C[C@]1(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1(Cl)Cl ZINC000903562175 659341760 /nfs/dbraw/zinc/34/17/60/659341760.db2.gz FYFRAFMMIDKPQI-QLFBSQMISA-N 2 1 396.384 1.801 20 0 GDADMP C[C@]1(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1(Cl)Cl ZINC000903562175 659341764 /nfs/dbraw/zinc/34/17/64/659341764.db2.gz FYFRAFMMIDKPQI-QLFBSQMISA-N 2 1 396.384 1.801 20 0 GDADMP CNC(=O)c1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1Cl ZINC001164683180 719627650 /nfs/dbraw/zinc/62/76/50/719627650.db2.gz RIXOMDIHQQYHNR-UHFFFAOYSA-N 2 1 376.892 1.766 20 0 GDADMP CNC(=O)c1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1Cl ZINC001164683180 719627654 /nfs/dbraw/zinc/62/76/54/719627654.db2.gz RIXOMDIHQQYHNR-UHFFFAOYSA-N 2 1 376.892 1.766 20 0 GDADMP CCOC(=O)c1ncnc(Cl)c1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679433 719635721 /nfs/dbraw/zinc/63/57/21/719635721.db2.gz AKTWIISOBBMZCO-UHFFFAOYSA-N 2 1 392.891 1.978 20 0 GDADMP CCOC(=O)c1ncnc(Cl)c1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679433 719635726 /nfs/dbraw/zinc/63/57/26/719635726.db2.gz AKTWIISOBBMZCO-UHFFFAOYSA-N 2 1 392.891 1.978 20 0 GDADMP [NH3+]C1CCN(c2ccnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164735756 720410476 /nfs/dbraw/zinc/41/04/76/720410476.db2.gz YPWPPZXPYUWUIJ-OALUTQOASA-N 2 1 379.512 1.652 20 0 GDADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c12 ZINC001164729977 720509777 /nfs/dbraw/zinc/50/97/77/720509777.db2.gz LOKVFBKROLJLSH-CYBMUJFWSA-N 2 1 383.456 1.529 20 0 GDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3CC[NH2+]C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838879 720521441 /nfs/dbraw/zinc/52/14/41/720521441.db2.gz RSAQJMPWPOVNCX-ABSDTBQOSA-N 2 1 381.528 1.697 20 0 GDADMP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]ccc4c3NC(=O)CO4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834990 720550171 /nfs/dbraw/zinc/55/01/71/720550171.db2.gz GKXNDJOEMCZTIA-YESZJQIVSA-N 2 1 396.495 1.987 20 0 GDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]ccc4c3NC(=O)CO4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834990 720550173 /nfs/dbraw/zinc/55/01/73/720550173.db2.gz GKXNDJOEMCZTIA-YESZJQIVSA-N 2 1 396.495 1.987 20 0 GDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741331 720838129 /nfs/dbraw/zinc/83/81/29/720838129.db2.gz FCQISMPGRQLGID-CMKODMSKSA-N 2 1 394.527 1.093 20 0 GDADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@@H+]3C2)c1 ZINC001164863507 721120454 /nfs/dbraw/zinc/12/04/54/721120454.db2.gz CMYMUAIWVORNRS-VQTJNVASSA-N 2 1 395.507 1.793 20 0 GDADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[N@H+]3C2)c1 ZINC001164863507 721120464 /nfs/dbraw/zinc/12/04/64/721120464.db2.gz CMYMUAIWVORNRS-VQTJNVASSA-N 2 1 395.507 1.793 20 0 GDADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164864920 721123793 /nfs/dbraw/zinc/12/37/93/721123793.db2.gz HLYGWNTXQOBEOA-RTWAWAEBSA-N 2 1 394.523 1.366 20 0 GDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3[nH+]ccc4c3ccn4C)CC2)C1 ZINC001164869900 721266928 /nfs/dbraw/zinc/26/69/28/721266928.db2.gz SVMBVLMSFXFIOW-UHFFFAOYSA-N 2 1 385.512 1.580 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282532 945850266 /nfs/dbraw/zinc/85/02/66/945850266.db2.gz JQAMTNSAPWSTKE-HUUCEWRRSA-N 2 1 387.463 1.038 20 0 GDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295013 946149691 /nfs/dbraw/zinc/14/96/91/946149691.db2.gz NOOAGQOFLBXGAE-KBPBESRZSA-N 2 1 389.529 1.493 20 0 GDADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCOCC1 ZINC000826502851 948420805 /nfs/dbraw/zinc/42/08/05/948420805.db2.gz LLHHWRDCGHHHCV-LJQANCHMSA-N 2 1 386.500 1.208 20 0 GDADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574432298 948933233 /nfs/dbraw/zinc/93/32/33/948933233.db2.gz IUEBNJWDFNDUBB-UHFFFAOYSA-N 2 1 382.472 1.435 20 0 GDADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574432298 948933246 /nfs/dbraw/zinc/93/32/46/948933246.db2.gz IUEBNJWDFNDUBB-UHFFFAOYSA-N 2 1 382.472 1.435 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574964408 949778094 /nfs/dbraw/zinc/77/80/94/949778094.db2.gz VZSSRYBKGDTUBN-MPGHIAIKSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574964408 949778105 /nfs/dbraw/zinc/77/81/05/949778105.db2.gz VZSSRYBKGDTUBN-MPGHIAIKSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574964408 949778120 /nfs/dbraw/zinc/77/81/20/949778120.db2.gz VZSSRYBKGDTUBN-MPGHIAIKSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574741155 950232889 /nfs/dbraw/zinc/23/28/89/950232889.db2.gz HBAFLSGWOHGHLQ-VKJFTORMSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576193285 950289999 /nfs/dbraw/zinc/28/99/99/950289999.db2.gz SCOGSSNMPDCFKM-QWHCGFSZSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575909585 950401637 /nfs/dbraw/zinc/40/16/37/950401637.db2.gz HPKJMLXPNSAWNY-KSSFIOAISA-N 2 1 383.500 1.430 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576202586 950428949 /nfs/dbraw/zinc/42/89/49/950428949.db2.gz BNZTZQAKTHAIHG-QWHCGFSZSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576202586 950428961 /nfs/dbraw/zinc/42/89/61/950428961.db2.gz BNZTZQAKTHAIHG-QWHCGFSZSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576202586 950428977 /nfs/dbraw/zinc/42/89/77/950428977.db2.gz BNZTZQAKTHAIHG-QWHCGFSZSA-N 2 1 377.518 1.207 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001576204835 950479896 /nfs/dbraw/zinc/47/98/96/950479896.db2.gz RMJXIHWSWFTJLH-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576204835 950479907 /nfs/dbraw/zinc/47/99/07/950479907.db2.gz RMJXIHWSWFTJLH-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576204835 950479917 /nfs/dbraw/zinc/47/99/17/950479917.db2.gz RMJXIHWSWFTJLH-KGLIPLIRSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576205042 950493711 /nfs/dbraw/zinc/49/37/11/950493711.db2.gz FWBFJPGTGMYQEA-KGLIPLIRSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206279 950563770 /nfs/dbraw/zinc/56/37/70/950563770.db2.gz VZOKVNQTJSKCAH-CQSZACIVSA-N 2 1 389.479 1.286 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206279 950563787 /nfs/dbraw/zinc/56/37/87/950563787.db2.gz VZOKVNQTJSKCAH-CQSZACIVSA-N 2 1 389.479 1.286 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206279 950563802 /nfs/dbraw/zinc/56/38/02/950563802.db2.gz VZOKVNQTJSKCAH-CQSZACIVSA-N 2 1 389.479 1.286 20 0 GDADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077593 951672754 /nfs/dbraw/zinc/67/27/54/951672754.db2.gz GZSVIWYZLXFTBS-CYBMUJFWSA-N 2 1 377.468 1.188 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575080453 951709865 /nfs/dbraw/zinc/70/98/65/951709865.db2.gz MDOALCJOLSLAHR-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575091261 951771277 /nfs/dbraw/zinc/77/12/77/951771277.db2.gz PHVFYKQYPCEAFU-GZBFAFLISA-N 2 1 389.479 1.283 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575095729 951812502 /nfs/dbraw/zinc/81/25/02/951812502.db2.gz WBHUZRYWGBSESZ-CRAIPNDOSA-N 2 1 385.516 1.678 20 0 GDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099843 951840087 /nfs/dbraw/zinc/84/00/87/951840087.db2.gz PEKSSUYXRQDCTH-HIFRSBDPSA-N 2 1 391.545 1.738 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575106752 951907322 /nfs/dbraw/zinc/90/73/22/951907322.db2.gz UHFIFMBCPOZMCQ-UMVBOHGHSA-N 2 1 389.479 1.283 20 0 GDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234972 953207506 /nfs/dbraw/zinc/20/75/06/953207506.db2.gz OKHFLKOFHZMPTH-MSOLQXFVSA-N 2 1 383.500 1.432 20 0 GDADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174353550 530647212 /nfs/dbraw/zinc/64/72/12/530647212.db2.gz LOACMMWQYCZGMW-MRXNPFEDSA-N 2 1 384.318 1.670 20 0 GDADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174353550 530647215 /nfs/dbraw/zinc/64/72/15/530647215.db2.gz LOACMMWQYCZGMW-MRXNPFEDSA-N 2 1 384.318 1.670 20 0 GDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000130219221 531058383 /nfs/dbraw/zinc/05/83/83/531058383.db2.gz MKUHSXFKNNTNBE-AEFFLSMTSA-N 2 1 375.579 1.385 20 0 GDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cncc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261866024 531100882 /nfs/dbraw/zinc/10/08/82/531100882.db2.gz KSZKTVMRWUTNRO-CJNGLKHVSA-N 2 1 381.318 1.924 20 0 GDADMP O=C(NC[C@H]1CCC[N@H+](Cc2cncc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261866024 531100886 /nfs/dbraw/zinc/10/08/86/531100886.db2.gz KSZKTVMRWUTNRO-CJNGLKHVSA-N 2 1 381.318 1.924 20 0 GDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000442785796 531376216 /nfs/dbraw/zinc/37/62/16/531376216.db2.gz YJRGMDLEUYPASA-QWHCGFSZSA-N 2 1 386.327 1.706 20 0 GDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000442785796 531376223 /nfs/dbraw/zinc/37/62/23/531376223.db2.gz YJRGMDLEUYPASA-QWHCGFSZSA-N 2 1 386.327 1.706 20 0 GDADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)COc1ccccc1Br ZINC000484790276 531424591 /nfs/dbraw/zinc/42/45/91/531424591.db2.gz LGVWFZJLDIDGGH-YALNPMBYSA-N 2 1 399.329 1.936 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000414318879 531439084 /nfs/dbraw/zinc/43/90/84/531439084.db2.gz YHILEICDNRDZGV-QWHCGFSZSA-N 2 1 388.331 1.813 20 0 GDADMP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000414318879 531439087 /nfs/dbraw/zinc/43/90/87/531439087.db2.gz YHILEICDNRDZGV-QWHCGFSZSA-N 2 1 388.331 1.813 20 0 GDADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000414749821 531462606 /nfs/dbraw/zinc/46/26/06/531462606.db2.gz WRILPOQINQRTIX-LRDDRELGSA-N 2 1 397.317 1.105 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCOc3ccc(Br)cc3C2)C1 ZINC000414757927 531462964 /nfs/dbraw/zinc/46/29/64/531462964.db2.gz MATQAERMIZNRFU-ZDUSSCGKSA-N 2 1 382.302 1.841 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCOc3ccc(Br)cc3C2)C1 ZINC000414757927 531462967 /nfs/dbraw/zinc/46/29/67/531462967.db2.gz MATQAERMIZNRFU-ZDUSSCGKSA-N 2 1 382.302 1.841 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC2CCC([NH3+])CC2)cc1Br ZINC000415367955 531479927 /nfs/dbraw/zinc/47/99/27/531479927.db2.gz JELGRHUUIKSPSH-UHFFFAOYSA-N 2 1 397.317 1.835 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000415645359 531507313 /nfs/dbraw/zinc/50/73/13/531507313.db2.gz LNGZVPHAAMAZNO-STQMWFEESA-N 2 1 397.317 1.835 20 0 GDADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662516988 531681619 /nfs/dbraw/zinc/68/16/19/531681619.db2.gz INDKMAGZFIYSTK-SNVBAGLBSA-N 2 1 385.331 1.234 20 0 GDADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641221803 531788718 /nfs/dbraw/zinc/78/87/18/531788718.db2.gz IOFZJUCDUSGMGY-GDBMZVCRSA-N 2 1 398.305 1.028 20 0 GDADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000571755118 531955059 /nfs/dbraw/zinc/95/50/59/531955059.db2.gz VRGANIKERWLNAN-MRXNPFEDSA-N 2 1 387.318 1.889 20 0 GDADMP C[NH2+]CC1CC[NH+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000430925542 532256820 /nfs/dbraw/zinc/25/68/20/532256820.db2.gz DGVWVUYWJAJENC-UHFFFAOYSA-N 2 1 397.317 1.435 20 0 GDADMP C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359893813 212122290 /nfs/dbraw/zinc/12/22/90/212122290.db2.gz CZEMRLGLULFCDJ-UYAOXDASSA-N 2 1 388.556 1.995 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000825848830 607525472 /nfs/dbraw/zinc/52/54/72/607525472.db2.gz GCVIUQDXGAGGLB-SOLBZPMBSA-N 2 1 381.484 1.803 20 0 GDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000821596454 606098419 /nfs/dbraw/zinc/09/84/19/606098419.db2.gz KRJJVRDDTWFJHU-INIZCTEOSA-N 2 1 383.500 1.859 20 0 GDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000821596454 606098422 /nfs/dbraw/zinc/09/84/22/606098422.db2.gz KRJJVRDDTWFJHU-INIZCTEOSA-N 2 1 383.500 1.859 20 0 GDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000821596454 606098426 /nfs/dbraw/zinc/09/84/26/606098426.db2.gz KRJJVRDDTWFJHU-INIZCTEOSA-N 2 1 383.500 1.859 20 0 GDADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c2cccs2)CC1 ZINC000552072215 650618701 /nfs/dbraw/zinc/61/87/01/650618701.db2.gz LSZAPXLFQHOZGJ-BRWVUGGUSA-N 2 1 385.599 1.982 20 0 GDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716652 650809847 /nfs/dbraw/zinc/80/98/47/650809847.db2.gz KIMFZIBXJJUBBC-ZFWWWQNUSA-N 2 1 389.309 1.784 20 0 GDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716652 650809849 /nfs/dbraw/zinc/80/98/49/650809849.db2.gz KIMFZIBXJJUBBC-ZFWWWQNUSA-N 2 1 389.309 1.784 20 0 GDADMP Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567873440 650926263 /nfs/dbraw/zinc/92/62/63/650926263.db2.gz VVTPWNQBFICBOM-WMLDXEAASA-N 2 1 385.346 1.953 20 0 GDADMP Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000567873440 650926265 /nfs/dbraw/zinc/92/62/65/650926265.db2.gz VVTPWNQBFICBOM-WMLDXEAASA-N 2 1 385.346 1.953 20 0 GDADMP C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455914847 647392403 /nfs/dbraw/zinc/39/24/03/647392403.db2.gz YLTDUOBLSKBQLK-LBPRGKRZSA-N 2 1 399.337 1.668 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1Br ZINC000467240197 647638849 /nfs/dbraw/zinc/63/88/49/647638849.db2.gz ZUXUBIKJXKLWLC-UHFFFAOYSA-N 2 1 397.317 1.661 20 0 GDADMP [NH3+]C[C@H](NC(=O)c1sc2c(c1I)C[NH2+]C2)C1CC1 ZINC000595924824 652427293 /nfs/dbraw/zinc/42/72/93/652427293.db2.gz PVZOTVORHSUELU-QMMMGPOBSA-N 2 1 377.251 1.423 20 0 GDADMP CN(C(=O)c1sc2c(c1I)C[NH2+]C2)C1(C[NH3+])CCC1 ZINC000595951456 652429173 /nfs/dbraw/zinc/42/91/73/652429173.db2.gz MBNHAIGUYNHADA-UHFFFAOYSA-N 2 1 391.278 1.909 20 0 GDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595953219 652430183 /nfs/dbraw/zinc/43/01/83/652430183.db2.gz XPOCLVAEXYUERA-YUMQZZPRSA-N 2 1 391.278 1.813 20 0 GDADMP C[C@H]1CC[C@@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C[NH2+]1 ZINC000602552180 652640937 /nfs/dbraw/zinc/64/09/37/652640937.db2.gz GLLWVDCGNFSLOP-JGVFFNPUSA-N 2 1 391.278 1.826 20 0 GDADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796295 653045605 /nfs/dbraw/zinc/04/56/05/653045605.db2.gz JFWBBPZELSLXFT-MSOLQXFVSA-N 2 1 385.346 1.960 20 0 GDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796295 653045607 /nfs/dbraw/zinc/04/56/07/653045607.db2.gz JFWBBPZELSLXFT-MSOLQXFVSA-N 2 1 385.346 1.960 20 0 GDADMP C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C[NH2+]1 ZINC000626891887 653063512 /nfs/dbraw/zinc/06/35/12/653063512.db2.gz CPHQGHHFDNCGRF-FZMZJTMJSA-N 2 1 397.317 1.706 20 0 GDADMP COc1nsc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1Br ZINC000638548384 653539355 /nfs/dbraw/zinc/53/93/55/653539355.db2.gz BMWHJXDXHVZZPF-NSHDSACASA-N 2 1 377.352 1.887 20 0 GDADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000643521860 653583322 /nfs/dbraw/zinc/58/33/22/653583322.db2.gz DMGWKKOCUWEGIV-JQWIXIFHSA-N 2 1 376.320 1.889 20 0 GDADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835829 653635681 /nfs/dbraw/zinc/63/56/81/653635681.db2.gz QLUGOYBFWGMQFO-OAHLLOKOSA-N 2 1 397.361 1.633 20 0 GDADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835829 653635684 /nfs/dbraw/zinc/63/56/84/653635684.db2.gz QLUGOYBFWGMQFO-OAHLLOKOSA-N 2 1 397.361 1.633 20 0 GDADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835828 653635722 /nfs/dbraw/zinc/63/57/22/653635722.db2.gz QLUGOYBFWGMQFO-HNNXBMFYSA-N 2 1 397.361 1.633 20 0 GDADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835828 653635724 /nfs/dbraw/zinc/63/57/24/653635724.db2.gz QLUGOYBFWGMQFO-HNNXBMFYSA-N 2 1 397.361 1.633 20 0 GDADMP [NH3+]C[C@H](NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(F)(F)F ZINC000655929972 653995041 /nfs/dbraw/zinc/99/50/41/653995041.db2.gz YSNIPYWDUOMMIZ-KGLIPLIRSA-N 2 1 376.448 1.793 20 0 GDADMP [NH3+]C[C@H](NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(F)(F)F ZINC000655929972 653995045 /nfs/dbraw/zinc/99/50/45/653995045.db2.gz YSNIPYWDUOMMIZ-KGLIPLIRSA-N 2 1 376.448 1.793 20 0 GDADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290948 654402856 /nfs/dbraw/zinc/40/28/56/654402856.db2.gz PNDJNSPGENNTLF-JTQLQIEISA-N 2 1 394.273 1.910 20 0 GDADMP C[NH+](C)CCCNC(=S)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000764515886 655217942 /nfs/dbraw/zinc/21/79/42/655217942.db2.gz SNVRQDHDXRVMJF-UHFFFAOYSA-N 2 1 383.993 1.878 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819062810 655384414 /nfs/dbraw/zinc/38/44/14/655384414.db2.gz TXKYITZOYIZGIL-OAHLLOKOSA-N 2 1 388.281 1.375 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nc(F)ccc1Br ZINC000855346437 655692461 /nfs/dbraw/zinc/69/24/61/655692461.db2.gz CDTRQTOVKMSIHM-NSHDSACASA-N 2 1 375.286 1.985 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nc(F)ccc1Br ZINC000855346437 655692463 /nfs/dbraw/zinc/69/24/63/655692463.db2.gz CDTRQTOVKMSIHM-NSHDSACASA-N 2 1 375.286 1.985 20 0 GDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000923321685 656544432 /nfs/dbraw/zinc/54/44/32/656544432.db2.gz OQXISFHUTINIGP-PYJNHQTQSA-N 2 1 383.290 1.345 20 0 GDADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)nn1 ZINC000923411719 656550872 /nfs/dbraw/zinc/55/08/72/656550872.db2.gz RCWFIEGPSPMYPH-QWHCGFSZSA-N 2 1 386.283 1.730 20 0 GDADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)c1cccc(Br)c1 ZINC000878709889 656743446 /nfs/dbraw/zinc/74/34/46/656743446.db2.gz WEGIUQYOOOGLRH-MRXNPFEDSA-N 2 1 384.318 1.625 20 0 GDADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)c1cccc(Br)c1 ZINC000878709889 656743449 /nfs/dbraw/zinc/74/34/49/656743449.db2.gz WEGIUQYOOOGLRH-MRXNPFEDSA-N 2 1 384.318 1.625 20 0 GDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(n1)CC[NH2+]C3)CCC2 ZINC001164810853 720213171 /nfs/dbraw/zinc/21/31/71/720213171.db2.gz FAUQCMSAFFQZJO-UHFFFAOYSA-N 2 1 382.512 1.535 20 0 GDADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCCC4)cc[nH+]3)C2)C1 ZINC001164722827 720267069 /nfs/dbraw/zinc/26/70/69/720267069.db2.gz SIEWRWFXYBNDID-NRFANRHFSA-N 2 1 387.528 1.347 20 0 GDADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCCC4)cc[nH+]3)C2)C1 ZINC001164722827 720267072 /nfs/dbraw/zinc/26/70/72/720267072.db2.gz SIEWRWFXYBNDID-NRFANRHFSA-N 2 1 387.528 1.347 20 0 GDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ncc5c(n4)C[NH2+]C5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164745033 720828103 /nfs/dbraw/zinc/82/81/03/720828103.db2.gz VYACCMHCAMBLJL-IEZWGBDMSA-N 2 1 380.500 1.051 20 0 GDADMP COCC[N@H+]1CCO[C@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)CC[C@@H]2C1 ZINC001164860190 720866981 /nfs/dbraw/zinc/86/69/81/720866981.db2.gz VTIVHQZFGKBDHW-MJGOQNOKSA-N 2 1 375.517 1.117 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4C[NH2+]CC5)C[C@@H]3C2)cn1 ZINC001164762131 721075042 /nfs/dbraw/zinc/07/50/42/721075042.db2.gz COMZXFRDMMEBLL-CABCVRRESA-N 2 1 387.919 1.468 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2CC[NH2+]CC3)[C@H]2CCCO[C@H]12 ZINC001164795404 721526653 /nfs/dbraw/zinc/52/66/53/721526653.db2.gz OQIWNGQGXQDZST-HBMCJLEFSA-N 2 1 394.523 1.428 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2CC[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164811202 721539361 /nfs/dbraw/zinc/53/93/61/721539361.db2.gz ZLLSIEXQBWUFST-VAMGGRTRSA-N 2 1 380.496 1.386 20 0 GDADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164906410 721546493 /nfs/dbraw/zinc/54/64/93/721546493.db2.gz LADHCAZYXAQAPN-FPOVZHCZSA-N 2 1 397.498 1.972 20 0 GDADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164923981 721856605 /nfs/dbraw/zinc/85/66/05/721856605.db2.gz BIBFLMLQBULZJV-DLBZAZTESA-N 2 1 378.952 1.812 20 0 GDADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164923981 721856606 /nfs/dbraw/zinc/85/66/06/721856606.db2.gz BIBFLMLQBULZJV-DLBZAZTESA-N 2 1 378.952 1.812 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ncnc5c4CC[NH2+]C5)CC[C@H]3C2)c1 ZINC001164985759 722106728 /nfs/dbraw/zinc/10/67/28/722106728.db2.gz WMIPRRIPBOQMAV-FXAWDEMLSA-N 2 1 380.496 1.245 20 0 GDADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001571266057 945528278 /nfs/dbraw/zinc/52/82/78/945528278.db2.gz VDCFWDUESHAFBL-ROUUACIJSA-N 2 1 385.516 1.630 20 0 GDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821189297 945648494 /nfs/dbraw/zinc/64/84/94/945648494.db2.gz KMZAINLYHPWTJF-KRWDZBQOSA-N 2 1 387.488 1.238 20 0 GDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821189297 945648504 /nfs/dbraw/zinc/64/85/04/945648504.db2.gz KMZAINLYHPWTJF-KRWDZBQOSA-N 2 1 387.488 1.238 20 0 GDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294150 946127084 /nfs/dbraw/zinc/12/70/84/946127084.db2.gz BREPXGBZPGYZRZ-AWEZNQCLSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574926447 949000126 /nfs/dbraw/zinc/00/01/26/949000126.db2.gz QOHRUNYROOLQTN-ZDUSSCGKSA-N 2 1 375.452 1.038 20 0 GDADMP C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575268976 949537616 /nfs/dbraw/zinc/53/76/16/949537616.db2.gz QLPMFOAFUJWGJT-HOCLYGCPSA-N 2 1 383.500 1.145 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574955203 949566607 /nfs/dbraw/zinc/56/66/07/949566607.db2.gz CGSIZNJZPCDEJL-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574955203 949566626 /nfs/dbraw/zinc/56/66/26/949566626.db2.gz CGSIZNJZPCDEJL-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574955203 949566643 /nfs/dbraw/zinc/56/66/43/949566643.db2.gz CGSIZNJZPCDEJL-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574955203 949566665 /nfs/dbraw/zinc/56/66/65/949566665.db2.gz CGSIZNJZPCDEJL-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574957353 949609652 /nfs/dbraw/zinc/60/96/52/949609652.db2.gz VZUZBWFNIOYGHH-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574957353 949609657 /nfs/dbraw/zinc/60/96/57/949609657.db2.gz VZUZBWFNIOYGHH-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574957353 949609677 /nfs/dbraw/zinc/60/96/77/949609677.db2.gz VZUZBWFNIOYGHH-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574957353 949609688 /nfs/dbraw/zinc/60/96/88/949609688.db2.gz VZUZBWFNIOYGHH-WOSRLPQWSA-N 2 1 389.479 1.283 20 0 GDADMP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574718246 949771040 /nfs/dbraw/zinc/77/10/40/949771040.db2.gz ZNWSVDQSLNJQAH-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574964406 949776308 /nfs/dbraw/zinc/77/63/08/949776308.db2.gz VZSSRYBKGDTUBN-DAYGRLMNSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574964406 949776320 /nfs/dbraw/zinc/77/63/20/949776320.db2.gz VZSSRYBKGDTUBN-DAYGRLMNSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574964406 949776338 /nfs/dbraw/zinc/77/63/38/949776338.db2.gz VZSSRYBKGDTUBN-DAYGRLMNSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283301 949860854 /nfs/dbraw/zinc/86/08/54/949860854.db2.gz FDFDJOUKVYTUKN-CQSZACIVSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574726336 949933300 /nfs/dbraw/zinc/93/33/00/949933300.db2.gz ZIRVOGJUURQSHZ-HNNXBMFYSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574740261 950222654 /nfs/dbraw/zinc/22/26/54/950222654.db2.gz CYUYQZWTSFCYLO-PMPSAXMXSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575909581 950400163 /nfs/dbraw/zinc/40/01/63/950400163.db2.gz HPKJMLXPNSAWNY-KBXCAEBGSA-N 2 1 383.500 1.430 20 0 GDADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001576207862 950599328 /nfs/dbraw/zinc/59/93/28/950599328.db2.gz KKSAYKXXGJNIGL-QGZVFWFLSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)C1 ZINC001576208963 950621306 /nfs/dbraw/zinc/62/13/06/950621306.db2.gz WIRUTOIFZRMUFL-RKVPGOIHSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)C1 ZINC001576208963 950621319 /nfs/dbraw/zinc/62/13/19/950621319.db2.gz WIRUTOIFZRMUFL-RKVPGOIHSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)C1 ZINC001576208963 950621328 /nfs/dbraw/zinc/62/13/28/950621328.db2.gz WIRUTOIFZRMUFL-RKVPGOIHSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574523471 950819459 /nfs/dbraw/zinc/81/94/59/950819459.db2.gz NWGUFBWTYFTSAC-OLZOCXBDSA-N 2 1 391.545 1.785 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001574771388 950922396 /nfs/dbraw/zinc/92/23/96/950922396.db2.gz CTVUOZDUYDIWOA-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574771388 950922412 /nfs/dbraw/zinc/92/24/12/950922412.db2.gz CTVUOZDUYDIWOA-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574771388 950922429 /nfs/dbraw/zinc/92/24/29/950922429.db2.gz CTVUOZDUYDIWOA-DYVFJYSZSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574773676 950984849 /nfs/dbraw/zinc/98/48/49/950984849.db2.gz YDGUNWLQYODQKP-ZDUSSCGKSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090977 951766959 /nfs/dbraw/zinc/76/69/59/951766959.db2.gz OPYGPJBIBCIDAO-ZDUSSCGKSA-N 2 1 389.479 1.332 20 0 GDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092257 951792273 /nfs/dbraw/zinc/79/22/73/951792273.db2.gz BOJSNLAUAKDXTH-CRAIPNDOSA-N 2 1 385.516 1.676 20 0 GDADMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104114 951882691 /nfs/dbraw/zinc/88/26/91/951882691.db2.gz BNPFEHPGOWRCRB-CRAIPNDOSA-N 2 1 385.516 1.583 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571235115 953208605 /nfs/dbraw/zinc/20/86/05/953208605.db2.gz UFISUVUXBVRLIU-GOSISDBHSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@H+]1C ZINC001571235174 953209437 /nfs/dbraw/zinc/20/94/37/953209437.db2.gz VYVOYHZRZVIQSH-ZTFGCOKTSA-N 2 1 383.500 1.288 20 0 GDADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235261 953210187 /nfs/dbraw/zinc/21/01/87/953210187.db2.gz YNPSZERRFWBSFG-IRXDYDNUSA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235261 953210190 /nfs/dbraw/zinc/21/01/90/953210190.db2.gz YNPSZERRFWBSFG-IRXDYDNUSA-N 2 1 383.500 1.289 20 0 GDADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235261 953210192 /nfs/dbraw/zinc/21/01/92/953210192.db2.gz YNPSZERRFWBSFG-IRXDYDNUSA-N 2 1 383.500 1.289 20 0 GDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N3CCOCC3)s1)C2 ZINC000922388353 1126134877 /nfs/dbraw/zinc/13/48/77/1126134877.db2.gz PFYAWTYBYSFWMS-YWTNHNAXSA-N 2 1 380.558 1.549 20 0 GDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cncc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261866045 531100626 /nfs/dbraw/zinc/10/06/26/531100626.db2.gz KSZKTVMRWUTNRO-XJKSGUPXSA-N 2 1 381.318 1.924 20 0 GDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cncc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261866045 531100628 /nfs/dbraw/zinc/10/06/28/531100628.db2.gz KSZKTVMRWUTNRO-XJKSGUPXSA-N 2 1 381.318 1.924 20 0 GDADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC[C@@H]1[NH3+] ZINC000415440943 531485981 /nfs/dbraw/zinc/48/59/81/531485981.db2.gz MVRMYXQHUIKSMV-ABAIWWIYSA-N 2 1 397.317 1.645 20 0 GDADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415622045 531504660 /nfs/dbraw/zinc/50/46/60/531504660.db2.gz XCTGNKLKYPHMES-NHYWBVRUSA-N 2 1 397.317 1.563 20 0 GDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1ccccc1Br ZINC000295256062 531550438 /nfs/dbraw/zinc/55/04/38/531550438.db2.gz GGSBSHKUVBTUEQ-INIZCTEOSA-N 2 1 384.318 1.578 20 0 GDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1ccccc1Br ZINC000295256062 531550445 /nfs/dbraw/zinc/55/04/45/531550445.db2.gz GGSBSHKUVBTUEQ-INIZCTEOSA-N 2 1 384.318 1.578 20 0 GDADMP C[NH2+][C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(Cl)c1Cl ZINC000638496287 531657029 /nfs/dbraw/zinc/65/70/29/531657029.db2.gz SCPYMJOOGSCRAP-DZGCQCFKSA-N 2 1 387.311 1.710 20 0 GDADMP C[NH2+][C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(Cl)c1Cl ZINC000638496287 531657039 /nfs/dbraw/zinc/65/70/39/531657039.db2.gz SCPYMJOOGSCRAP-DZGCQCFKSA-N 2 1 387.311 1.710 20 0 GDADMP COCC[NH+]1CCC(NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662412577 531678548 /nfs/dbraw/zinc/67/85/48/531678548.db2.gz OZFGRXSPYVGREY-UHFFFAOYSA-N 2 1 388.331 1.954 20 0 GDADMP O[C@@H](COc1ccc(Cl)cc1Br)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000619725524 531716272 /nfs/dbraw/zinc/71/62/72/531716272.db2.gz VVEZRQGLECTVQF-NTZNESFSSA-N 2 1 375.694 1.993 20 0 GDADMP O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000619725524 531716285 /nfs/dbraw/zinc/71/62/85/531716285.db2.gz VVEZRQGLECTVQF-NTZNESFSSA-N 2 1 375.694 1.993 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000667663974 531783940 /nfs/dbraw/zinc/78/39/40/531783940.db2.gz OQGQBNLTELOENW-GFCCVEGCSA-N 2 1 397.321 1.408 20 0 GDADMP [NH3+]CCCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000418797516 531841504 /nfs/dbraw/zinc/84/15/04/531841504.db2.gz FZUCUWLXWMRFFJ-UHFFFAOYSA-N 2 1 387.311 1.539 20 0 GDADMP C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000418808923 531842605 /nfs/dbraw/zinc/84/26/05/531842605.db2.gz RYNYPWDLGYNZNQ-LLVKDONJSA-N 2 1 387.311 1.537 20 0 GDADMP C[N@H+](C[C@@H](O)C[NH2+]CCCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000577384838 532035774 /nfs/dbraw/zinc/03/57/74/532035774.db2.gz BYDXGILAUJULBR-INIZCTEOSA-N 2 1 384.318 1.614 20 0 GDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000577384838 532035778 /nfs/dbraw/zinc/03/57/78/532035778.db2.gz BYDXGILAUJULBR-INIZCTEOSA-N 2 1 384.318 1.614 20 0 GDADMP Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000423111223 532072210 /nfs/dbraw/zinc/07/22/10/532072210.db2.gz QGWKCYKESQRZTO-CHWSQXEVSA-N 2 1 376.320 1.505 20 0 GDADMP O=C([C@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1)N1CC[NH2+]CC1 ZINC000430643893 532254599 /nfs/dbraw/zinc/25/45/99/532254599.db2.gz MTNJEZBQPMSEGW-HNNXBMFYSA-N 2 1 396.329 1.972 20 0 GDADMP O=C([C@@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1)N1CC[NH2+]CC1 ZINC000430643894 532255304 /nfs/dbraw/zinc/25/53/04/532255304.db2.gz MTNJEZBQPMSEGW-OAHLLOKOSA-N 2 1 396.329 1.972 20 0 GDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736759853 598898686 /nfs/dbraw/zinc/89/86/86/598898686.db2.gz XRYZFLNBWHBSEP-LBPRGKRZSA-N 2 1 377.880 1.732 20 0 GDADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822992831 599691494 /nfs/dbraw/zinc/69/14/94/599691494.db2.gz NLNHFLCLPDXHMX-UHFFFAOYSA-N 2 1 399.499 1.382 20 0 GDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825851761 607525436 /nfs/dbraw/zinc/52/54/36/607525436.db2.gz YCRNSLPRSIRNAD-FGTMMUONSA-N 2 1 399.499 1.379 20 0 GDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596190 606097091 /nfs/dbraw/zinc/09/70/91/606097091.db2.gz CAUFEBJXBMIXNW-INIZCTEOSA-N 2 1 383.500 1.859 20 0 GDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596190 606097094 /nfs/dbraw/zinc/09/70/94/606097094.db2.gz CAUFEBJXBMIXNW-INIZCTEOSA-N 2 1 383.500 1.859 20 0 GDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596190 606097099 /nfs/dbraw/zinc/09/70/99/606097099.db2.gz CAUFEBJXBMIXNW-INIZCTEOSA-N 2 1 383.500 1.859 20 0 GDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625393 606898316 /nfs/dbraw/zinc/89/83/16/606898316.db2.gz MMOWUWLLTLZWND-RBUKOAKNSA-N 2 1 385.516 1.002 20 0 GDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625393 606898318 /nfs/dbraw/zinc/89/83/18/606898318.db2.gz MMOWUWLLTLZWND-RBUKOAKNSA-N 2 1 385.516 1.002 20 0 GDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625394 606898370 /nfs/dbraw/zinc/89/83/70/606898370.db2.gz MMOWUWLLTLZWND-RTBURBONSA-N 2 1 385.516 1.002 20 0 GDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625394 606898371 /nfs/dbraw/zinc/89/83/71/606898371.db2.gz MMOWUWLLTLZWND-RTBURBONSA-N 2 1 385.516 1.002 20 0 GDADMP CCC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC000825226267 607792327 /nfs/dbraw/zinc/79/23/27/607792327.db2.gz ZNGRRQYGWAHNTF-GOSISDBHSA-N 2 1 385.516 1.631 20 0 GDADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c2cccs2)CC1 ZINC000552072216 650618727 /nfs/dbraw/zinc/61/87/27/650618727.db2.gz LSZAPXLFQHOZGJ-GVDBMIGSSA-N 2 1 385.599 1.982 20 0 GDADMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncc(I)s1 ZINC000511979127 648393718 /nfs/dbraw/zinc/39/37/18/648393718.db2.gz RRNSRBUSEWBYCG-LLVKDONJSA-N 2 1 394.326 1.863 20 0 GDADMP C[N@H+](C[C@H](O)C[NH2+]CCc1ccc(I)s1)C1CC1 ZINC000517358633 648565263 /nfs/dbraw/zinc/56/52/63/648565263.db2.gz HKVKKBBOUPBGSV-LLVKDONJSA-N 2 1 380.295 1.940 20 0 GDADMP C[N@@H+](C[C@H](O)C[NH2+]CCc1ccc(I)s1)C1CC1 ZINC000517358633 648565265 /nfs/dbraw/zinc/56/52/65/648565265.db2.gz HKVKKBBOUPBGSV-LLVKDONJSA-N 2 1 380.295 1.940 20 0 GDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574292341 651530095 /nfs/dbraw/zinc/53/00/95/651530095.db2.gz LPRHWRAZZOWNGQ-ZIAGYGMSSA-N 2 1 381.274 1.022 20 0 GDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574292341 651530101 /nfs/dbraw/zinc/53/01/01/651530101.db2.gz LPRHWRAZZOWNGQ-ZIAGYGMSSA-N 2 1 381.274 1.022 20 0 GDADMP C[C@@H]1C[NH2+]CCN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595918390 652426542 /nfs/dbraw/zinc/42/65/42/652426542.db2.gz ATSGJESVSVNCPZ-SSDOTTSWSA-N 2 1 377.251 1.390 20 0 GDADMP [NH3+][C@@H]1CCCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595919077 652426555 /nfs/dbraw/zinc/42/65/55/652426555.db2.gz GWIOGTQJYPXQMR-SSDOTTSWSA-N 2 1 377.251 1.519 20 0 GDADMP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647836154 653635698 /nfs/dbraw/zinc/63/56/98/653635698.db2.gz CUNJKALSJOJZSC-MRXNPFEDSA-N 2 1 381.318 1.391 20 0 GDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647836154 653635702 /nfs/dbraw/zinc/63/57/02/653635702.db2.gz CUNJKALSJOJZSC-MRXNPFEDSA-N 2 1 381.318 1.391 20 0 GDADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817961216 655363097 /nfs/dbraw/zinc/36/30/97/655363097.db2.gz YSCXRAXJPYYUTK-ZDUSSCGKSA-N 2 1 391.559 1.580 20 0 GDADMP [NH3+]C[C@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000923377975 656547494 /nfs/dbraw/zinc/54/74/94/656547494.db2.gz FLCJPNAHIUFTIM-ZFWWWQNUSA-N 2 1 377.254 1.378 20 0 GDADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000923377975 656547498 /nfs/dbraw/zinc/54/74/98/656547498.db2.gz FLCJPNAHIUFTIM-ZFWWWQNUSA-N 2 1 377.254 1.378 20 0 GDADMP CN(CC[N@H+](C)C[C@H](O)c1cc(Br)no1)C1CC[NH+](C)CC1 ZINC000878311292 656718032 /nfs/dbraw/zinc/71/80/32/656718032.db2.gz HHWVZTMFLOYOAN-ZDUSSCGKSA-N 2 1 375.311 1.428 20 0 GDADMP CN(CC[N@@H+](C)C[C@H](O)c1cc(Br)no1)C1CC[NH+](C)CC1 ZINC000878311292 656718035 /nfs/dbraw/zinc/71/80/35/656718035.db2.gz HHWVZTMFLOYOAN-ZDUSSCGKSA-N 2 1 375.311 1.428 20 0 GDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](CCc2ccccc2Br)C1 ZINC000883439291 657287114 /nfs/dbraw/zinc/28/71/14/657287114.db2.gz NTBXPQVTYRVVHH-BMFZPTHFSA-N 2 1 380.286 1.859 20 0 GDADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2I)C1 ZINC000911636293 660013105 /nfs/dbraw/zinc/01/31/05/660013105.db2.gz VOOUAVPYGNRTDZ-RISCZKNCSA-N 2 1 387.265 1.749 20 0 GDADMP [NH3+][C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1I ZINC000911857590 660019727 /nfs/dbraw/zinc/01/97/27/660019727.db2.gz YXFYCEXNPAYTCP-UHIISALHSA-N 2 1 385.249 1.644 20 0 GDADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1I ZINC000911882256 660020187 /nfs/dbraw/zinc/02/01/87/660020187.db2.gz UPBPINGAWOMART-MFKMUULPSA-N 2 1 375.254 1.925 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1cccc(Br)c1 ZINC000912304466 660032559 /nfs/dbraw/zinc/03/25/59/660032559.db2.gz QBONPJVKZMGYML-BBRMVZONSA-N 2 1 386.334 1.871 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1cccc(Br)c1 ZINC000912304466 660032561 /nfs/dbraw/zinc/03/25/61/660032561.db2.gz QBONPJVKZMGYML-BBRMVZONSA-N 2 1 386.334 1.871 20 0 GDADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)CC[C@H]2C1 ZINC001164858591 720873810 /nfs/dbraw/zinc/87/38/10/720873810.db2.gz LGWGCTNWLSKQER-ZWKOTPCHSA-N 2 1 375.517 1.640 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)CC[C@H]2C1 ZINC001164858591 720873811 /nfs/dbraw/zinc/87/38/11/720873811.db2.gz LGWGCTNWLSKQER-ZWKOTPCHSA-N 2 1 375.517 1.640 20 0 GDADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[N@H+]3C2)c1 ZINC001164867509 721044482 /nfs/dbraw/zinc/04/44/82/721044482.db2.gz JICINQRIQSFRPA-QZTJIDSGSA-N 2 1 380.496 1.040 20 0 GDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)C[C@@H]3C2)cn1 ZINC001164766802 721173557 /nfs/dbraw/zinc/17/35/57/721173557.db2.gz JGTYHWHUCFVAIB-OALUTQOASA-N 2 1 382.512 1.610 20 0 GDADMP [NH3+]C1CCN(c2ccnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n2)CC1 ZINC001164791073 721418628 /nfs/dbraw/zinc/41/86/28/721418628.db2.gz ZFZTWRIMOFNKLN-GASCZTMLSA-N 2 1 385.541 1.429 20 0 GDADMP [NH3+]C1CCN(c2ccnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n2)CC1 ZINC001164791073 721418631 /nfs/dbraw/zinc/41/86/31/721418631.db2.gz ZFZTWRIMOFNKLN-GASCZTMLSA-N 2 1 385.541 1.429 20 0 GDADMP O=C(c1cccnc1N1CC[NH+](CCOc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC001165045479 721957918 /nfs/dbraw/zinc/95/79/18/721957918.db2.gz VJWRGTCBMXPEJJ-UHFFFAOYSA-N 2 1 395.507 1.328 20 0 GDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571281912 945820991 /nfs/dbraw/zinc/82/09/91/945820991.db2.gz BQTIZHFFBNOWPC-QOJXUVEWSA-N 2 1 387.463 1.084 20 0 GDADMP CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CC1)[NH+](C)C ZINC001571306373 946397628 /nfs/dbraw/zinc/39/76/28/946397628.db2.gz UNUZKJGDSJSAAS-OAHLLOKOSA-N 2 1 391.545 1.691 20 0 GDADMP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000826513596 948437523 /nfs/dbraw/zinc/43/75/23/948437523.db2.gz PURVDFZMPHDIMA-VQTJNVASSA-N 2 1 397.527 1.284 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574704258 949378735 /nfs/dbraw/zinc/37/87/35/949378735.db2.gz BMTBYBGMUWYWQP-SUMWQHHRSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574964135 949765143 /nfs/dbraw/zinc/76/51/43/949765143.db2.gz QQYIVBPKSMQYLC-XHSDSOJGSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574964135 949765153 /nfs/dbraw/zinc/76/51/53/949765153.db2.gz QQYIVBPKSMQYLC-XHSDSOJGSA-N 2 1 385.516 1.534 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574964135 949765164 /nfs/dbraw/zinc/76/51/64/949765164.db2.gz QQYIVBPKSMQYLC-XHSDSOJGSA-N 2 1 385.516 1.534 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574151564 950083636 /nfs/dbraw/zinc/08/36/36/950083636.db2.gz VFIPMBFSTLZNEU-MSOLQXFVSA-N 2 1 385.516 1.581 20 0 GDADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192788 950264635 /nfs/dbraw/zinc/26/46/35/950264635.db2.gz OYKUGLUFNVRSLN-CRAIPNDOSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192788 950264655 /nfs/dbraw/zinc/26/46/55/950264655.db2.gz OYKUGLUFNVRSLN-CRAIPNDOSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192788 950264671 /nfs/dbraw/zinc/26/46/71/950264671.db2.gz OYKUGLUFNVRSLN-CRAIPNDOSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192788 950264687 /nfs/dbraw/zinc/26/46/87/950264687.db2.gz OYKUGLUFNVRSLN-CRAIPNDOSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576194189 950333507 /nfs/dbraw/zinc/33/35/07/950333507.db2.gz XMCWOUCOYQDZOG-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576196219 950356170 /nfs/dbraw/zinc/35/61/70/950356170.db2.gz AXKQQPBDBVVEMM-JKSUJKDBSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576196896 950370802 /nfs/dbraw/zinc/37/08/02/950370802.db2.gz IOPCPEHSXYQRRP-AWEZNQCLSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576196896 950370816 /nfs/dbraw/zinc/37/08/16/950370816.db2.gz IOPCPEHSXYQRRP-AWEZNQCLSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576196896 950370833 /nfs/dbraw/zinc/37/08/33/950370833.db2.gz IOPCPEHSXYQRRP-AWEZNQCLSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576196896 950370850 /nfs/dbraw/zinc/37/08/50/950370850.db2.gz IOPCPEHSXYQRRP-AWEZNQCLSA-N 2 1 389.479 1.238 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196980 950378965 /nfs/dbraw/zinc/37/89/65/950378965.db2.gz KWIIQFQBDIZIHT-YJBOKZPZSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576197426 950391902 /nfs/dbraw/zinc/39/19/02/950391902.db2.gz NJUFOCGCACOWKW-LSDHHAIUSA-N 2 1 384.488 1.031 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001576204314 950460895 /nfs/dbraw/zinc/46/08/95/950460895.db2.gz NVMWHOOTCFCNOH-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576204314 950460908 /nfs/dbraw/zinc/46/09/08/950460908.db2.gz NVMWHOOTCFCNOH-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576204314 950460920 /nfs/dbraw/zinc/46/09/20/950460920.db2.gz NVMWHOOTCFCNOH-ZIAGYGMSSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576207846 950601646 /nfs/dbraw/zinc/60/16/46/950601646.db2.gz KHRPRCOPCIZBNM-MCIONIFRSA-N 2 1 389.529 1.254 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576213616 950637596 /nfs/dbraw/zinc/63/75/96/950637596.db2.gz DPBIHFQHMKISGV-ZVZYQTTQSA-N 2 1 383.500 1.193 20 0 GDADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574523975 950848243 /nfs/dbraw/zinc/84/82/43/950848243.db2.gz SQXHYCYOEHGFLT-ZIAGYGMSSA-N 2 1 391.495 1.719 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001574771387 950921767 /nfs/dbraw/zinc/92/17/67/950921767.db2.gz CTVUOZDUYDIWOA-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574771387 950921780 /nfs/dbraw/zinc/92/17/80/950921780.db2.gz CTVUOZDUYDIWOA-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574771387 950921789 /nfs/dbraw/zinc/92/17/89/950921789.db2.gz CTVUOZDUYDIWOA-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574773321 950986292 /nfs/dbraw/zinc/98/62/92/950986292.db2.gz XIHWIUZPRFWYKI-CYBMUJFWSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574773321 950986309 /nfs/dbraw/zinc/98/63/09/950986309.db2.gz XIHWIUZPRFWYKI-CYBMUJFWSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077265 951664146 /nfs/dbraw/zinc/66/41/46/951664146.db2.gz BKJQBBQOTSBQMR-SUMWQHHRSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077279 951665676 /nfs/dbraw/zinc/66/56/76/951665676.db2.gz BXJLVFVQESEZEZ-XJKCOSOUSA-N 2 1 389.479 1.188 20 0 GDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098693 951826117 /nfs/dbraw/zinc/82/61/17/951826117.db2.gz FDJSJQKLPXJRBF-RDBSUJKOSA-N 2 1 391.545 1.500 20 0 GDADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101168 951855825 /nfs/dbraw/zinc/85/58/25/951855825.db2.gz AMAGIWLVLJSRKW-SUMWQHHRSA-N 2 1 389.479 1.332 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575105453 951893486 /nfs/dbraw/zinc/89/34/86/951893486.db2.gz JVVXYXOGBFFSBT-HIFRSBDPSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575109930 951935421 /nfs/dbraw/zinc/93/54/21/951935421.db2.gz WBDYTMHDGSDIMO-CRAIPNDOSA-N 2 1 385.516 1.678 20 0 GDADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001571235007 953207879 /nfs/dbraw/zinc/20/78/79/953207879.db2.gz PMPRJIHMNQZWBL-GOSISDBHSA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001571235074 953208386 /nfs/dbraw/zinc/20/83/86/953208386.db2.gz RTVGLSLOGGURIB-DJIMGWMZSA-N 2 1 383.500 1.288 20 0 GDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(N4CCOCC4)s3)C2)[C@H]1C(C)C ZINC000922394510 1126135302 /nfs/dbraw/zinc/13/53/02/1126135302.db2.gz WWLMJSKGUUCQOJ-MLYOOKFZSA-N 2 1 394.585 1.939 20 0 GDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+]Cc1cnc(N3CCOCC3)s1)[C@@H](O)C2 ZINC001550423595 1126206755 /nfs/dbraw/zinc/20/67/55/1126206755.db2.gz PFYAWTYBYSFWMS-DFEOGRTESA-N 2 1 380.558 1.549 20 0 GDADMP Brc1cccc(-c2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000261602636 531093195 /nfs/dbraw/zinc/09/31/95/531093195.db2.gz BUBLSEFSWRTMIR-HNNXBMFYSA-N 2 1 392.301 1.979 20 0 GDADMP Brc1cccc(-c2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000261602636 531093198 /nfs/dbraw/zinc/09/31/98/531093198.db2.gz BUBLSEFSWRTMIR-HNNXBMFYSA-N 2 1 392.301 1.979 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261788803 531099076 /nfs/dbraw/zinc/09/90/76/531099076.db2.gz SURYJAKHZPDRBP-LBPRGKRZSA-N 2 1 383.290 1.175 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261788803 531099078 /nfs/dbraw/zinc/09/90/78/531099078.db2.gz SURYJAKHZPDRBP-LBPRGKRZSA-N 2 1 383.290 1.175 20 0 GDADMP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000261915663 531102040 /nfs/dbraw/zinc/10/20/40/531102040.db2.gz JOHZORLLXUCSHW-BRWVUGGUSA-N 2 1 396.329 1.926 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nn(C)cc1Br ZINC000293065432 531398717 /nfs/dbraw/zinc/39/87/17/531398717.db2.gz NUYCUNZVACINSX-ZDUSSCGKSA-N 2 1 386.338 1.671 20 0 GDADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](CO)c1cccc(Br)c1 ZINC000414715621 531462858 /nfs/dbraw/zinc/46/28/58/531462858.db2.gz YWIGRZHXXIWIIM-CZUORRHYSA-N 2 1 384.318 1.612 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000415645358 531506985 /nfs/dbraw/zinc/50/69/85/531506985.db2.gz LNGZVPHAAMAZNO-QWHCGFSZSA-N 2 1 397.317 1.835 20 0 GDADMP C[NH2+]C[C@@H](C)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000659015518 531535906 /nfs/dbraw/zinc/53/59/06/531535906.db2.gz AKJAJHLVTXQPQG-LLVKDONJSA-N 2 1 385.310 1.325 20 0 GDADMP [NH3+][C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000662710802 531694066 /nfs/dbraw/zinc/69/40/66/531694066.db2.gz ZFGPHPKAYQXWSE-XJKSGUPXSA-N 2 1 382.302 1.818 20 0 GDADMP Cn1cc([C@@H]2CN(C(=O)c3sc4c(c3Br)C[NH2+]C4)C[C@H]2[NH3+])cn1 ZINC000662579869 531690611 /nfs/dbraw/zinc/69/06/11/531690611.db2.gz IPYDVALWPBRZQP-WDEREUQCSA-N 2 1 396.314 1.414 20 0 GDADMP C(C[NH+]1CCS[C@@H]2COCC[C@@H]21)OCC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000366372483 531742776 /nfs/dbraw/zinc/74/27/76/531742776.db2.gz RRBABBTXQKZXRY-WNRNVDISSA-N 2 1 388.599 1.416 20 0 GDADMP C[C@H](c1ncc(Br)cn1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641175361 531782945 /nfs/dbraw/zinc/78/29/45/531782945.db2.gz KMXJMAIQHAYJLO-LLVKDONJSA-N 2 1 380.294 1.406 20 0 GDADMP CC1(C)[C@H]([NH2+]CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@@H]1[NH3+] ZINC000641804602 531852647 /nfs/dbraw/zinc/85/26/47/531852647.db2.gz ZIWJSNIOYQNFGW-UONOGXRCSA-N 2 1 386.327 1.752 20 0 GDADMP C[C@@H]1[C@H](C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000648923486 531917128 /nfs/dbraw/zinc/91/71/28/531917128.db2.gz DMPFESPHIGBYFF-TZMCWYRMSA-N 2 1 396.333 1.875 20 0 GDADMP C[C@@H]1[C@H](C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000648923486 531917138 /nfs/dbraw/zinc/91/71/38/531917138.db2.gz DMPFESPHIGBYFF-TZMCWYRMSA-N 2 1 396.333 1.875 20 0 GDADMP [NH3+]CCC1CC[NH+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000571096657 531949156 /nfs/dbraw/zinc/94/91/56/531949156.db2.gz FTPFZDMRRDGNJW-UHFFFAOYSA-N 2 1 397.317 1.565 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000577055633 532031823 /nfs/dbraw/zinc/03/18/23/532031823.db2.gz VUKXRXDQBHBZGA-CQSZACIVSA-N 2 1 390.311 1.487 20 0 GDADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736402166 598712222 /nfs/dbraw/zinc/71/22/22/598712222.db2.gz LRQQQYMCSPJROU-LSDHHAIUSA-N 2 1 387.536 1.595 20 0 GDADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736402166 598712224 /nfs/dbraw/zinc/71/22/24/598712224.db2.gz LRQQQYMCSPJROU-LSDHHAIUSA-N 2 1 387.536 1.595 20 0 GDADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821188578 599590187 /nfs/dbraw/zinc/59/01/87/599590187.db2.gz AKJLLLIZLWAFPT-CYBMUJFWSA-N 2 1 377.518 1.921 20 0 GDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821188578 599590190 /nfs/dbraw/zinc/59/01/90/599590190.db2.gz AKJLLLIZLWAFPT-CYBMUJFWSA-N 2 1 377.518 1.921 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821267081 606544103 /nfs/dbraw/zinc/54/41/03/606544103.db2.gz JUQGHGORMBUTRU-ZDUSSCGKSA-N 2 1 377.518 1.416 20 0 GDADMP Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nc(C)[nH+]1 ZINC000822207455 606859064 /nfs/dbraw/zinc/85/90/64/606859064.db2.gz XEYMRVGYVRROKX-ZWKOTPCHSA-N 2 1 394.483 1.566 20 0 GDADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000554371791 650674038 /nfs/dbraw/zinc/67/40/38/650674038.db2.gz AVCKBISLAYRPKF-MRXNPFEDSA-N 2 1 387.571 1.602 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N2CCC[NH2+]CC2)CC1 ZINC000566608692 650858904 /nfs/dbraw/zinc/85/89/04/650858904.db2.gz DVGDSEXXCTWQMO-UHFFFAOYSA-N 2 1 397.321 1.423 20 0 GDADMP CN(CCS(=O)(=O)CC[N@@H+](C)C[C@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000245939714 645092940 /nfs/dbraw/zinc/09/29/40/645092940.db2.gz UROHWKTXECZHBV-QZTJIDSGSA-N 2 1 376.563 1.118 20 0 GDADMP C[NH+](CCS(=O)(=O)CC[N@@H+](C)C[C@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000245939714 645092948 /nfs/dbraw/zinc/09/29/48/645092948.db2.gz UROHWKTXECZHBV-QZTJIDSGSA-N 2 1 376.563 1.118 20 0 GDADMP C[NH+](CCS(=O)(=O)CC[N@H+](C)C[C@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000245939714 645092951 /nfs/dbraw/zinc/09/29/51/645092951.db2.gz UROHWKTXECZHBV-QZTJIDSGSA-N 2 1 376.563 1.118 20 0 GDADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000570162858 651027557 /nfs/dbraw/zinc/02/75/57/651027557.db2.gz SAPVATGVUMTFPF-VXGBXAGGSA-N 2 1 399.337 1.843 20 0 GDADMP C[C@@H]1C[NH+](CCCCCC[N@H+]2CC[S@](=O)C[C@H](C)C2)CC[S@@](=O)C1 ZINC000369730941 645656577 /nfs/dbraw/zinc/65/65/77/645656577.db2.gz HBEKNYNLBQTHIX-IMWWXNSKSA-N 2 1 376.632 1.948 20 0 GDADMP C[C@@H]1C[NH+](CCCCCC[N@@H+]2CC[S@@](=O)C[C@H](C)C2)CC[S@](=O)C1 ZINC000369730941 645656580 /nfs/dbraw/zinc/65/65/80/645656580.db2.gz HBEKNYNLBQTHIX-IMWWXNSKSA-N 2 1 376.632 1.948 20 0 GDADMP C[C@@H]1C[NH+](CCCCCC[N@H+]2CC[S@@](=O)C[C@H](C)C2)CC[S@](=O)C1 ZINC000369730941 645656584 /nfs/dbraw/zinc/65/65/84/645656584.db2.gz HBEKNYNLBQTHIX-IMWWXNSKSA-N 2 1 376.632 1.948 20 0 GDADMP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000578776101 651813607 /nfs/dbraw/zinc/81/36/07/651813607.db2.gz VRWUNUPPKFXQBU-CYBMUJFWSA-N 2 1 386.327 1.708 20 0 GDADMP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000578776101 651813611 /nfs/dbraw/zinc/81/36/11/651813611.db2.gz VRWUNUPPKFXQBU-CYBMUJFWSA-N 2 1 386.327 1.708 20 0 GDADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NC2CC[NH2+]CC2)CC1 ZINC000582110460 651985641 /nfs/dbraw/zinc/98/56/41/651985641.db2.gz MTLFUJLFEIYIQJ-UHFFFAOYSA-N 2 1 397.321 1.469 20 0 GDADMP C[C@H]1CN(C(=O)c2sc3c(c2I)C[NH2+]C3)C[C@H](C)[NH2+]1 ZINC000595925300 652427683 /nfs/dbraw/zinc/42/76/83/652427683.db2.gz XTYCLMVKKCMLTQ-YUMQZZPRSA-N 2 1 391.278 1.778 20 0 GDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000602596055 652642669 /nfs/dbraw/zinc/64/26/69/652642669.db2.gz MRDZWXQNNVQWQV-RNFRBKRXSA-N 2 1 377.251 1.518 20 0 GDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000623017340 653002990 /nfs/dbraw/zinc/00/29/90/653002990.db2.gz LURNYUHBDMPGEW-UHFFFAOYSA-N 2 1 392.257 1.949 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCOc3cc(Br)ccc3C2)C1 ZINC000663504492 654339090 /nfs/dbraw/zinc/33/90/90/654339090.db2.gz YYEDOAVCSVXIJN-CYBMUJFWSA-N 2 1 382.302 1.841 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCOc3cc(Br)ccc3C2)C1 ZINC000663504492 654339093 /nfs/dbraw/zinc/33/90/93/654339093.db2.gz YYEDOAVCSVXIJN-CYBMUJFWSA-N 2 1 382.302 1.841 20 0 GDADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000666240165 654420938 /nfs/dbraw/zinc/42/09/38/654420938.db2.gz KIJSGSYYOXGZSD-ZDUSSCGKSA-N 2 1 390.347 1.918 20 0 GDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000666240165 654420944 /nfs/dbraw/zinc/42/09/44/654420944.db2.gz KIJSGSYYOXGZSD-ZDUSSCGKSA-N 2 1 390.347 1.918 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1[nH]nc(C)c1Br ZINC000725717408 654841579 /nfs/dbraw/zinc/84/15/79/654841579.db2.gz LGPKUELCKGDBJG-ZDUSSCGKSA-N 2 1 386.338 1.969 20 0 GDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1n[nH]c(C)c1Br ZINC000725717408 654841583 /nfs/dbraw/zinc/84/15/83/654841583.db2.gz LGPKUELCKGDBJG-ZDUSSCGKSA-N 2 1 386.338 1.969 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1n[nH]c(C)c1Br ZINC000725717408 654841584 /nfs/dbraw/zinc/84/15/84/654841584.db2.gz LGPKUELCKGDBJG-ZDUSSCGKSA-N 2 1 386.338 1.969 20 0 GDADMP CC[NH2+]CCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817943157 655362800 /nfs/dbraw/zinc/36/28/00/655362800.db2.gz JOPFPJFHEBCZBL-CYBMUJFWSA-N 2 1 377.532 1.062 20 0 GDADMP C[C@@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000843061807 655387689 /nfs/dbraw/zinc/38/76/89/655387689.db2.gz IKOZXUUMWHSHKX-XJKSGUPXSA-N 2 1 375.282 1.842 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(=O)n(C)cc1Br ZINC000824826743 655481119 /nfs/dbraw/zinc/48/11/19/655481119.db2.gz OJIXTDBRKRNDTM-LBPRGKRZSA-N 2 1 387.322 1.150 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(=O)n(C)cc1Br ZINC000824826743 655481121 /nfs/dbraw/zinc/48/11/21/655481121.db2.gz OJIXTDBRKRNDTM-LBPRGKRZSA-N 2 1 387.322 1.150 20 0 GDADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](N)c2cccc(Br)c2)C[C@H]1C[NH+](C)C ZINC000877144906 656656183 /nfs/dbraw/zinc/65/61/83/656656183.db2.gz ZCZMRGZQHABSIC-BFYDXBDKSA-N 2 1 397.361 1.647 20 0 GDADMP C[NH+]1CCC(NC(=O)C[NH2+][C@H](CCO)c2ccccc2Br)CC1 ZINC000878396647 656723103 /nfs/dbraw/zinc/72/31/03/656723103.db2.gz OGRIYEZGAUEPBC-MRXNPFEDSA-N 2 1 384.318 1.673 20 0 GDADMP Cn1ncc(I)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894375519 658547300 /nfs/dbraw/zinc/54/73/00/658547300.db2.gz MAAKKPMMOFHESP-UHFFFAOYSA-N 2 1 391.301 1.142 20 0 GDADMP Cn1ncc(I)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000894375519 658547305 /nfs/dbraw/zinc/54/73/05/658547305.db2.gz MAAKKPMMOFHESP-UHFFFAOYSA-N 2 1 391.301 1.142 20 0 GDADMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc(Cl)c1OCC(N)=O ZINC000903958354 659389791 /nfs/dbraw/zinc/38/97/91/659389791.db2.gz YJBNHDMJXCJASE-NSHDSACASA-N 2 1 377.819 1.547 20 0 GDADMP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2I)CC1 ZINC000911779300 660018239 /nfs/dbraw/zinc/01/82/39/660018239.db2.gz QIOKSLFBBBYHKA-AWEZNQCLSA-N 2 1 387.265 1.749 20 0 GDADMP C[NH+]1CCN(c2nccc(N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)n2)CC1 ZINC001164414877 718881421 /nfs/dbraw/zinc/88/14/21/718881421.db2.gz YXYHIMGIGPKKBL-AWEZNQCLSA-N 2 1 384.450 1.882 20 0 GDADMP CCOC(=O)c1cnc(Cl)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683920 719603765 /nfs/dbraw/zinc/60/37/65/719603765.db2.gz LMDZMEGFXADHAJ-UHFFFAOYSA-N 2 1 392.891 1.978 20 0 GDADMP CCOC(=O)c1cnc(Cl)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683920 719603772 /nfs/dbraw/zinc/60/37/72/719603772.db2.gz LMDZMEGFXADHAJ-UHFFFAOYSA-N 2 1 392.891 1.978 20 0 GDADMP CCNS(=O)(=O)c1cccnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683123 719629140 /nfs/dbraw/zinc/62/91/40/719629140.db2.gz QUVKCSDARHWKMJ-UHFFFAOYSA-N 2 1 392.529 1.051 20 0 GDADMP CCNS(=O)(=O)c1cccnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683123 719629146 /nfs/dbraw/zinc/62/91/46/719629146.db2.gz QUVKCSDARHWKMJ-UHFFFAOYSA-N 2 1 392.529 1.051 20 0 GDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001164807087 720123568 /nfs/dbraw/zinc/12/35/68/720123568.db2.gz BIYNDJRRVJLDHL-NQIIRXRSSA-N 2 1 386.544 1.071 20 0 GDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164745837 720743372 /nfs/dbraw/zinc/74/33/72/720743372.db2.gz WALUQFWEQCFGSR-QZTJIDSGSA-N 2 1 395.511 1.141 20 0 GDADMP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164745837 720743382 /nfs/dbraw/zinc/74/33/82/720743382.db2.gz WALUQFWEQCFGSR-QZTJIDSGSA-N 3 1 395.511 1.141 20 0 GDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164745837 720743390 /nfs/dbraw/zinc/74/33/90/720743390.db2.gz WALUQFWEQCFGSR-QZTJIDSGSA-N 3 1 395.511 1.141 20 0 GDADMP Clc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164744763 720747608 /nfs/dbraw/zinc/74/76/08/720747608.db2.gz SKFFGVUMCCQPRF-ZIAGYGMSSA-N 2 1 386.887 1.513 20 0 GDADMP c1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(C[NH+]2CCCC2)c1 ZINC001164746128 720803023 /nfs/dbraw/zinc/80/30/23/720803023.db2.gz LVARUSIVFRPCMN-OALUTQOASA-N 2 1 380.496 1.809 20 0 GDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C3C[NH2+]C3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164808062 721591700 /nfs/dbraw/zinc/59/17/00/721591700.db2.gz PTHURDWRGLUTDD-QKNQBKEWSA-N 2 1 380.496 1.427 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@@H]3C2)c1 ZINC001164981681 722100013 /nfs/dbraw/zinc/10/00/13/722100013.db2.gz LYMQUCKRPRNGGU-NQIIRXRSSA-N 2 1 394.523 1.287 20 0 GDADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571282285 945839870 /nfs/dbraw/zinc/83/98/70/945839870.db2.gz FZDAQBQNWIGDLY-BFYDXBDKSA-N 2 1 387.463 1.227 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282683 945857353 /nfs/dbraw/zinc/85/73/53/945857353.db2.gz NQIYOKLWHKSDKS-WMLDXEAASA-N 2 1 387.463 1.181 20 0 GDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282682 945858909 /nfs/dbraw/zinc/85/89/09/945858909.db2.gz NQIYOKLWHKSDKS-RHSMWYFYSA-N 2 1 387.463 1.181 20 0 GDADMP COCCC[N@@H+](C)CCNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826155917 947491325 /nfs/dbraw/zinc/49/13/25/947491325.db2.gz HRERWBFVVNKCNJ-UHFFFAOYSA-N 2 1 387.532 1.389 20 0 GDADMP Cn1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361384 948131834 /nfs/dbraw/zinc/13/18/34/948131834.db2.gz VKERDHCNACMKCN-MRXNPFEDSA-N 2 1 375.440 1.568 20 0 GDADMP O=C(NCCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCC1 ZINC000826436704 948290944 /nfs/dbraw/zinc/29/09/44/948290944.db2.gz FAIFCGMYQIXQFR-UHFFFAOYSA-N 2 1 397.527 1.727 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574926862 949028097 /nfs/dbraw/zinc/02/80/97/949028097.db2.gz ZAOGSIBNKCIQDE-CYBMUJFWSA-N 2 1 375.452 1.038 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707662 949472060 /nfs/dbraw/zinc/47/20/60/949472060.db2.gz PWPORUJCUILRGZ-GXTWGEPZSA-N 2 1 377.518 1.349 20 0 GDADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574707881 949479567 /nfs/dbraw/zinc/47/95/67/949479567.db2.gz RKFWCVPINSEPQW-WBMJQRKESA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575873990 949595605 /nfs/dbraw/zinc/59/56/05/949595605.db2.gz DEXBOUMWFDIGJF-OCCSQVGLSA-N 2 1 377.518 1.349 20 0 GDADMP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574718464 949781971 /nfs/dbraw/zinc/78/19/71/949781971.db2.gz XOQONDQFMYWCGG-YJBOKZPZSA-N 2 1 385.516 1.678 20 0 GDADMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574723953 949859792 /nfs/dbraw/zinc/85/97/92/949859792.db2.gz CHBRLRRLGDZEGX-OAHLLOKOSA-N 2 1 387.532 1.781 20 0 GDADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575285979 949964499 /nfs/dbraw/zinc/96/44/99/949964499.db2.gz RYMZRWMPTADQDQ-CYBMUJFWSA-N 2 1 389.479 1.283 20 0 GDADMP CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574151565 950083193 /nfs/dbraw/zinc/08/31/93/950083193.db2.gz VFIPMBFSTLZNEU-QZTJIDSGSA-N 2 1 385.516 1.581 20 0 GDADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574733336 950109735 /nfs/dbraw/zinc/10/97/35/950109735.db2.gz ZEXNPRZYQSCXPW-OUCADQQQSA-N 2 1 377.518 1.205 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576194502 950345756 /nfs/dbraw/zinc/34/57/56/950345756.db2.gz ZMNCXWLZUWWNAS-KBPBESRZSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196457 950365845 /nfs/dbraw/zinc/36/58/45/950365845.db2.gz DZSDTVQWWZTLJN-QAPCUYQASA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196457 950365863 /nfs/dbraw/zinc/36/58/63/950365863.db2.gz DZSDTVQWWZTLJN-QAPCUYQASA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576196457 950365879 /nfs/dbraw/zinc/36/58/79/950365879.db2.gz DZSDTVQWWZTLJN-QAPCUYQASA-N 2 1 383.500 1.241 20 0 GDADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199290 950423448 /nfs/dbraw/zinc/42/34/48/950423448.db2.gz YGIWIXZLJROFGL-KGLIPLIRSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199290 950423465 /nfs/dbraw/zinc/42/34/65/950423465.db2.gz YGIWIXZLJROFGL-KGLIPLIRSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199290 950423479 /nfs/dbraw/zinc/42/34/79/950423479.db2.gz YGIWIXZLJROFGL-KGLIPLIRSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576199290 950423497 /nfs/dbraw/zinc/42/34/97/950423497.db2.gz YGIWIXZLJROFGL-KGLIPLIRSA-N 2 1 389.529 1.303 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576202899 950439772 /nfs/dbraw/zinc/43/97/72/950439772.db2.gz FDLDIRHWUOOUFX-SWLSCSKDSA-N 2 1 389.529 1.254 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203735 950450742 /nfs/dbraw/zinc/45/07/42/950450742.db2.gz IXHHLXVHYRQTNF-DOTOQJQBSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203735 950450762 /nfs/dbraw/zinc/45/07/62/950450762.db2.gz IXHHLXVHYRQTNF-DOTOQJQBSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576203735 950450778 /nfs/dbraw/zinc/45/07/78/950450778.db2.gz IXHHLXVHYRQTNF-DOTOQJQBSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]2(C)CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204295 950459544 /nfs/dbraw/zinc/45/95/44/950459544.db2.gz NMUVHQUGXQHPDA-MGPUTAFESA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204295 950459558 /nfs/dbraw/zinc/45/95/58/950459558.db2.gz NMUVHQUGXQHPDA-MGPUTAFESA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576204295 950459579 /nfs/dbraw/zinc/45/95/79/950459579.db2.gz NMUVHQUGXQHPDA-MGPUTAFESA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576205371 950515204 /nfs/dbraw/zinc/51/52/04/950515204.db2.gz YRXOEMGHFMQUKO-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576205371 950515220 /nfs/dbraw/zinc/51/52/20/950515220.db2.gz YRXOEMGHFMQUKO-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576205371 950515245 /nfs/dbraw/zinc/51/52/45/950515245.db2.gz YRXOEMGHFMQUKO-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576205543 950524371 /nfs/dbraw/zinc/52/43/71/950524371.db2.gz ZYWIRSIRTWATQB-KBXCAEBGSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCC[NH+]1C ZINC001574774029 950995741 /nfs/dbraw/zinc/99/57/41/950995741.db2.gz BIRMXTLIWFFABO-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574774029 950995754 /nfs/dbraw/zinc/99/57/54/950995754.db2.gz BIRMXTLIWFFABO-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574774029 950995764 /nfs/dbraw/zinc/99/57/64/950995764.db2.gz BIRMXTLIWFFABO-BLLLJJGKSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575080450 951710306 /nfs/dbraw/zinc/71/03/06/951710306.db2.gz MDOALCJOLSLAHR-CXAGYDPISA-N 2 1 389.479 1.427 20 0 GDADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103627 951877834 /nfs/dbraw/zinc/87/78/34/951877834.db2.gz URTAAIMMWLLUGQ-ZDUSSCGKSA-N 2 1 377.468 1.188 20 0 GDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)cn2)CC1 ZINC000865772966 1126117036 /nfs/dbraw/zinc/11/70/36/1126117036.db2.gz XFPGVUGPKSEWHE-HXUWFJFHSA-N 2 1 389.931 1.965 20 0 GDADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414324376 531440399 /nfs/dbraw/zinc/44/03/99/531440399.db2.gz WPVRSHVABRIANG-ZDUSSCGKSA-N 2 1 390.347 1.918 20 0 GDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414324376 531440402 /nfs/dbraw/zinc/44/04/02/531440402.db2.gz WPVRSHVABRIANG-ZDUSSCGKSA-N 2 1 390.347 1.918 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1Br ZINC000415869630 531546258 /nfs/dbraw/zinc/54/62/58/531546258.db2.gz NPEUPGFWMPDCJX-CQSZACIVSA-N 2 1 397.317 1.708 20 0 GDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000638136521 531645225 /nfs/dbraw/zinc/64/52/25/531645225.db2.gz ZFWDUNKENSYSCO-OAHLLOKOSA-N 2 1 389.949 1.920 20 0 GDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000638136521 531645231 /nfs/dbraw/zinc/64/52/31/531645231.db2.gz ZFWDUNKENSYSCO-OAHLLOKOSA-N 2 1 389.949 1.920 20 0 GDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595948586 531895582 /nfs/dbraw/zinc/89/55/82/531895582.db2.gz SLBHKZPDQSICJR-JGVFFNPUSA-N 2 1 391.278 1.765 20 0 GDADMP Cc1cc(I)ccc1NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000600735480 532053486 /nfs/dbraw/zinc/05/34/86/532053486.db2.gz UYFRZXSFYBIKMS-UHFFFAOYSA-N 2 1 391.253 1.445 20 0 GDADMP Cc1cc(I)ccc1NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000600735480 532053487 /nfs/dbraw/zinc/05/34/87/532053487.db2.gz UYFRZXSFYBIKMS-UHFFFAOYSA-N 2 1 391.253 1.445 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000470023860 532082200 /nfs/dbraw/zinc/08/22/00/532082200.db2.gz GIDFHTBMFYBMRZ-ZDUSSCGKSA-N 2 1 398.301 1.507 20 0 GDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000470023860 532082205 /nfs/dbraw/zinc/08/22/05/532082205.db2.gz GIDFHTBMFYBMRZ-ZDUSSCGKSA-N 2 1 398.301 1.507 20 0 GDADMP O=C(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000431021841 532259613 /nfs/dbraw/zinc/25/96/13/532259613.db2.gz DPODWMXHLKACIS-KRWDZBQOSA-N 2 1 396.329 1.908 20 0 GDADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736237068 599029289 /nfs/dbraw/zinc/02/92/89/599029289.db2.gz OJKZFEFPAHUEJD-IRXDYDNUSA-N 2 1 397.527 1.774 20 0 GDADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735856975 598521475 /nfs/dbraw/zinc/52/14/75/598521475.db2.gz NEZWYAAOSMGYMT-HNNXBMFYSA-N 2 1 395.515 1.735 20 0 GDADMP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689157 606846614 /nfs/dbraw/zinc/84/66/14/606846614.db2.gz BUZHBLLTKPKARX-HXUWFJFHSA-N 2 1 394.479 1.522 20 0 GDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625690 606989334 /nfs/dbraw/zinc/98/93/34/606989334.db2.gz UEHADFKUZIZCHR-OCCSQVGLSA-N 2 1 375.502 1.673 20 0 GDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625690 606989336 /nfs/dbraw/zinc/98/93/36/606989336.db2.gz UEHADFKUZIZCHR-OCCSQVGLSA-N 2 1 375.502 1.673 20 0 GDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625690 606989338 /nfs/dbraw/zinc/98/93/38/606989338.db2.gz UEHADFKUZIZCHR-OCCSQVGLSA-N 2 1 375.502 1.673 20 0 GDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625690 606989339 /nfs/dbraw/zinc/98/93/39/606989339.db2.gz UEHADFKUZIZCHR-OCCSQVGLSA-N 2 1 375.502 1.673 20 0 GDADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000823706835 607152283 /nfs/dbraw/zinc/15/22/83/607152283.db2.gz PSECAHIOOLBMAF-QZTJIDSGSA-N 2 1 396.499 1.372 20 0 GDADMP CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000563952560 650744551 /nfs/dbraw/zinc/74/45/51/650744551.db2.gz LDVMHIMAKMGDPZ-MRXNPFEDSA-N 2 1 398.345 1.842 20 0 GDADMP CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000563952560 650744555 /nfs/dbraw/zinc/74/45/55/650744555.db2.gz LDVMHIMAKMGDPZ-MRXNPFEDSA-N 2 1 398.345 1.842 20 0 GDADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000570162855 651027542 /nfs/dbraw/zinc/02/75/42/651027542.db2.gz SAPVATGVUMTFPF-NEPJUHHUSA-N 2 1 399.337 1.843 20 0 GDADMP O=C(NC1CC[NH2+]CC1)c1sc2c(c1I)C[NH2+]C2 ZINC000595919592 652426521 /nfs/dbraw/zinc/42/65/21/652426521.db2.gz KKIAXXOOVSTCAT-UHFFFAOYSA-N 2 1 377.251 1.438 20 0 GDADMP C[NH2+]CCOCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000629531062 653169211 /nfs/dbraw/zinc/16/92/11/653169211.db2.gz YYDUOMXDHYXBPW-ZDUSSCGKSA-N 2 1 377.304 1.493 20 0 GDADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156052 656318907 /nfs/dbraw/zinc/31/89/07/656318907.db2.gz DFWVLFZEJNVRBB-FUHWJXTLSA-N 2 1 375.579 1.562 20 0 GDADMP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1cc(I)cn1 ZINC000872632249 656368212 /nfs/dbraw/zinc/36/82/12/656368212.db2.gz XHXOTVHYBMFENC-UHFFFAOYSA-N 2 1 392.285 1.735 20 0 GDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1cc(I)cn1 ZINC000872632249 656368213 /nfs/dbraw/zinc/36/82/13/656368213.db2.gz XHXOTVHYBMFENC-UHFFFAOYSA-N 2 1 392.285 1.735 20 0 GDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(N)nc(Br)c2)CC1 ZINC000874155271 656446347 /nfs/dbraw/zinc/44/63/47/656446347.db2.gz VKEDUWYDRYZYDK-UHFFFAOYSA-N 2 1 391.273 1.825 20 0 GDADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](O)c1cccc(Br)c1 ZINC000878709888 656743346 /nfs/dbraw/zinc/74/33/46/656743346.db2.gz WEGIUQYOOOGLRH-INIZCTEOSA-N 2 1 384.318 1.625 20 0 GDADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](O)c1cccc(Br)c1 ZINC000878709888 656743351 /nfs/dbraw/zinc/74/33/51/656743351.db2.gz WEGIUQYOOOGLRH-INIZCTEOSA-N 2 1 384.318 1.625 20 0 GDADMP COC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000879663741 656818046 /nfs/dbraw/zinc/81/80/46/656818046.db2.gz RPSGRQYOROPKII-MRXNPFEDSA-N 2 1 384.318 1.890 20 0 GDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1)[NH+]1CC[C@H]2CSC[C@H]2C1 ZINC000931551092 657106632 /nfs/dbraw/zinc/10/66/32/657106632.db2.gz VKSRICTUSGNUHE-DFBDCSAJSA-N 2 1 383.627 1.861 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H]2CSC[C@@H]2C1)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000931551092 657106635 /nfs/dbraw/zinc/10/66/35/657106635.db2.gz VKSRICTUSGNUHE-DFBDCSAJSA-N 2 1 383.627 1.861 20 0 GDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H]2CSC[C@@H]2C1)[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000931551092 657106638 /nfs/dbraw/zinc/10/66/38/657106638.db2.gz VKSRICTUSGNUHE-DFBDCSAJSA-N 2 1 383.627 1.861 20 0 GDADMP Cn1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(I)n1 ZINC000894661012 658596234 /nfs/dbraw/zinc/59/62/34/658596234.db2.gz VQHJTRVAQMVYKU-UHFFFAOYSA-N 2 1 391.301 1.140 20 0 GDADMP Cn1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(I)n1 ZINC000894661012 658596240 /nfs/dbraw/zinc/59/62/40/658596240.db2.gz VQHJTRVAQMVYKU-UHFFFAOYSA-N 2 1 391.301 1.140 20 0 GDADMP Cc1[nH+]ccc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1Br ZINC000895166616 658672190 /nfs/dbraw/zinc/67/21/90/658672190.db2.gz QRAQXDZYCLABLZ-HNNXBMFYSA-N 2 1 383.334 1.783 20 0 GDADMP Cc1[nH+]ccc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1Br ZINC000895166616 658672195 /nfs/dbraw/zinc/67/21/95/658672195.db2.gz QRAQXDZYCLABLZ-HNNXBMFYSA-N 2 1 383.334 1.783 20 0 GDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(C)nc1Br ZINC000896041785 658746217 /nfs/dbraw/zinc/74/62/17/658746217.db2.gz ARFRPRLTPBFTAC-ZDUSSCGKSA-N 2 1 386.338 1.671 20 0 GDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905105200 659424486 /nfs/dbraw/zinc/42/44/86/659424486.db2.gz JNIQLXSKMSLGKP-CYBMUJFWSA-N 2 1 375.382 1.467 20 0 GDADMP C[NH+]1CCC(Oc2ccnc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)c2)CC1 ZINC001164423460 718917638 /nfs/dbraw/zinc/91/76/38/718917638.db2.gz GZCXWLXCBRLXIY-HXUWFJFHSA-N 2 1 376.501 1.140 20 0 GDADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(N3CC[NH2+]CC3)nn2)cc1 ZINC001164620433 719064285 /nfs/dbraw/zinc/06/42/85/719064285.db2.gz DYOZHERXCYYLLN-PMACEKPBSA-N 2 1 378.524 1.987 20 0 GDADMP C[N@@H+](Cc1ccc(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)nc1)C1CC1 ZINC001164656356 719327032 /nfs/dbraw/zinc/32/70/32/719327032.db2.gz XKRHLDHVZJKIPI-UHFFFAOYSA-N 2 1 391.497 1.276 20 0 GDADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c2CC[NH2+]C3)c2c1CC[NH2+]C2 ZINC001164686167 719610828 /nfs/dbraw/zinc/61/08/28/719610828.db2.gz YSHKWQLXRWXQNW-UHFFFAOYSA-N 3 1 375.908 1.447 20 0 GDADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c2CC[NH2+]C3)c2c1CC[NH2+]C2 ZINC001164686167 719610831 /nfs/dbraw/zinc/61/08/31/719610831.db2.gz YSHKWQLXRWXQNW-UHFFFAOYSA-N 3 1 375.908 1.447 20 0 GDADMP CCOC(=O)c1nnc(Cl)cc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682436 719620084 /nfs/dbraw/zinc/62/00/84/719620084.db2.gz NAZKLPJOSWSZLM-UHFFFAOYSA-N 2 1 392.891 1.978 20 0 GDADMP CCOC(=O)c1nnc(Cl)cc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682436 719620095 /nfs/dbraw/zinc/62/00/95/719620095.db2.gz NAZKLPJOSWSZLM-UHFFFAOYSA-N 2 1 392.891 1.978 20 0 GDADMP CNC(=O)C[N@H+]1CCCC12CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164687358 719738017 /nfs/dbraw/zinc/73/80/17/719738017.db2.gz WJLGMFRHTFBAQT-UHFFFAOYSA-N 2 1 377.920 1.562 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)CC1 ZINC001164735090 720461577 /nfs/dbraw/zinc/46/15/77/720461577.db2.gz VYBFWLKMANHNMR-OALUTQOASA-N 2 1 379.512 1.477 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164735090 720461581 /nfs/dbraw/zinc/46/15/81/720461581.db2.gz VYBFWLKMANHNMR-OALUTQOASA-N 2 1 379.512 1.477 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)CC1 ZINC001164735091 720463139 /nfs/dbraw/zinc/46/31/39/720463139.db2.gz VYBFWLKMANHNMR-RBUKOAKNSA-N 2 1 379.512 1.477 20 0 GDADMP C[NH+]1CCN(c2nccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164735091 720463145 /nfs/dbraw/zinc/46/31/45/720463145.db2.gz VYBFWLKMANHNMR-RBUKOAKNSA-N 2 1 379.512 1.477 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741214 720816276 /nfs/dbraw/zinc/81/62/76/720816276.db2.gz MLDAVZSQTOTECH-JENIJYKNSA-N 2 1 392.511 1.939 20 0 GDADMP Cn1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741214 720816277 /nfs/dbraw/zinc/81/62/77/720816277.db2.gz MLDAVZSQTOTECH-JENIJYKNSA-N 2 1 392.511 1.939 20 0 GDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cccc(N4CCOCC4)[nH+]3)CC[C@@H]2C1 ZINC001164852049 720867724 /nfs/dbraw/zinc/86/77/24/720867724.db2.gz BYIMUBHFTKVAHF-QZTJIDSGSA-N 2 1 376.501 1.092 20 0 GDADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164864919 721121740 /nfs/dbraw/zinc/12/17/40/721121740.db2.gz HLYGWNTXQOBEOA-NHCUHLMSSA-N 2 1 394.523 1.366 20 0 GDADMP Clc1nc2c(c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n1)CC[NH2+]C2 ZINC001164787665 721396370 /nfs/dbraw/zinc/39/63/70/721396370.db2.gz QPAGXKPZGRKMGS-RYUDHWBXSA-N 2 1 376.917 1.800 20 0 GDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[C@H]3C2)c1 ZINC001164980756 722105287 /nfs/dbraw/zinc/10/52/87/722105287.db2.gz KHUHQTTYNKDADR-FXAWDEMLSA-N 2 1 380.496 1.245 20 0 GDADMP C[NH+](C)CCOCc1ncn2c1CN(c1[nH+]ccc3c1NC(=O)CO3)CCC2 ZINC001165001933 722253716 /nfs/dbraw/zinc/25/37/16/722253716.db2.gz JTHYZQJPMPLJRZ-UHFFFAOYSA-N 2 1 386.456 1.098 20 0 GDADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001571265519 945510941 /nfs/dbraw/zinc/51/09/41/945510941.db2.gz LFGFLIQEVNWLTP-QZTJIDSGSA-N 2 1 385.516 1.630 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)CC[N@H+]1C ZINC001571281840 945818710 /nfs/dbraw/zinc/81/87/10/945818710.db2.gz OWYKRJJLPZUHSH-DAXOMENPSA-N 2 1 387.463 1.037 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)CC[NH+]1C ZINC001571281840 945818750 /nfs/dbraw/zinc/81/87/50/945818750.db2.gz OWYKRJJLPZUHSH-DAXOMENPSA-N 2 1 387.463 1.037 20 0 GDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)CC[NH+]1C ZINC001571281840 945818763 /nfs/dbraw/zinc/81/87/63/945818763.db2.gz OWYKRJJLPZUHSH-DAXOMENPSA-N 2 1 387.463 1.037 20 0 GDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294128 946124965 /nfs/dbraw/zinc/12/49/65/946124965.db2.gz BGNGLWLAVNBMSQ-UKRRQHHQSA-N 2 1 389.529 1.351 20 0 GDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C(C)(C)C2)C1 ZINC001571294345 946131636 /nfs/dbraw/zinc/13/16/36/946131636.db2.gz GKWUNBKUGWBUSN-IUODEOHRSA-N 2 1 389.529 1.207 20 0 GDADMP CSC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826227632 947667057 /nfs/dbraw/zinc/66/70/57/947667057.db2.gz UWGDXRUMQZWFJZ-GOSISDBHSA-N 2 1 376.530 1.535 20 0 GDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826331092 947963965 /nfs/dbraw/zinc/96/39/65/947963965.db2.gz UNTQTSKVYKKXEO-SFHVURJKSA-N 2 1 394.483 1.889 20 0 GDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826331092 947963970 /nfs/dbraw/zinc/96/39/70/947963970.db2.gz UNTQTSKVYKKXEO-SFHVURJKSA-N 2 1 394.483 1.889 20 0 GDADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574917814 948828195 /nfs/dbraw/zinc/82/81/95/948828195.db2.gz CFZGROWHJYQWAS-CYBMUJFWSA-N 2 1 377.468 1.284 20 0 GDADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926297 948994913 /nfs/dbraw/zinc/99/49/13/948994913.db2.gz MYWFZTKCBNBPCK-OAHLLOKOSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926297 948994920 /nfs/dbraw/zinc/99/49/20/948994920.db2.gz MYWFZTKCBNBPCK-OAHLLOKOSA-N 2 1 387.532 1.781 20 0 GDADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926297 948994930 /nfs/dbraw/zinc/99/49/30/948994930.db2.gz MYWFZTKCBNBPCK-OAHLLOKOSA-N 2 1 387.532 1.781 20 0 GDADMP CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574153938 950157829 /nfs/dbraw/zinc/15/78/29/950157829.db2.gz YETQMTJOJYBTKZ-IRXDYDNUSA-N 2 1 385.516 1.439 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576203758 950450868 /nfs/dbraw/zinc/45/08/68/950450868.db2.gz JEPQMDVMITXVJG-KSSFIOAISA-N 2 1 383.500 1.193 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204108 950453896 /nfs/dbraw/zinc/45/38/96/950453896.db2.gz LWWUIXAHPQHSPJ-MGPUTAFESA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204108 950453909 /nfs/dbraw/zinc/45/39/09/950453909.db2.gz LWWUIXAHPQHSPJ-MGPUTAFESA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576204108 950453918 /nfs/dbraw/zinc/45/39/18/950453918.db2.gz LWWUIXAHPQHSPJ-MGPUTAFESA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204035 950455092 /nfs/dbraw/zinc/45/50/92/950455092.db2.gz KCNNGBQYSYREIY-INIZCTEOSA-N 2 1 385.516 1.535 20 0 GDADMP C[C@H](C[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576204313 950459815 /nfs/dbraw/zinc/45/98/15/950459815.db2.gz NVMWHOOTCFCNOH-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576204313 950459834 /nfs/dbraw/zinc/45/98/34/950459834.db2.gz NVMWHOOTCFCNOH-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@H](C[NH+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576204313 950459850 /nfs/dbraw/zinc/45/98/50/950459850.db2.gz NVMWHOOTCFCNOH-UONOGXRCSA-N 2 1 389.479 1.284 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001576204523 950462337 /nfs/dbraw/zinc/46/23/37/950462337.db2.gz PWVCTMJACJSUBR-OAHLLOKOSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576204714 950471772 /nfs/dbraw/zinc/47/17/72/950471772.db2.gz AYGGZNJVHZOAGI-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576204714 950471789 /nfs/dbraw/zinc/47/17/89/950471789.db2.gz AYGGZNJVHZOAGI-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576204714 950471802 /nfs/dbraw/zinc/47/18/02/950471802.db2.gz AYGGZNJVHZOAGI-MAUKXSAKSA-N 2 1 383.500 1.289 20 0 GDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC001576206847 950581140 /nfs/dbraw/zinc/58/11/40/950581140.db2.gz ZGMHSYQIHGWSSA-KDOFPFPSSA-N 2 1 383.500 1.193 20 0 GDADMP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575080848 951716813 /nfs/dbraw/zinc/71/68/13/951716813.db2.gz NXHMUCJRAZNREJ-LRDDRELGSA-N 2 1 375.452 1.037 20 0 GDADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575091901 951785857 /nfs/dbraw/zinc/78/58/57/951785857.db2.gz YKNWGIZTDPTORO-GUYCJALGSA-N 2 1 389.479 1.427 20 0 GDADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575095733 951813912 /nfs/dbraw/zinc/81/39/12/951813912.db2.gz WBHUZRYWGBSESZ-QAPCUYQASA-N 2 1 385.516 1.678 20 0 GDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169477 952773737 /nfs/dbraw/zinc/77/37/37/952773737.db2.gz DSHSWGUQCNKIMA-DYVFJYSZSA-N 2 1 380.456 1.008 20 0 GDADMP Cc1[nH+]ccn1CC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171851 952798084 /nfs/dbraw/zinc/79/80/84/952798084.db2.gz GVSMUIRUFOWLSK-UHFFFAOYSA-N 2 1 380.456 1.056 20 0 GDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172555 952808246 /nfs/dbraw/zinc/80/82/46/952808246.db2.gz XBVIRPFTLKMMFK-INIZCTEOSA-N 2 1 380.456 1.105 20 0 GDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172555 952808249 /nfs/dbraw/zinc/80/82/49/952808249.db2.gz XBVIRPFTLKMMFK-INIZCTEOSA-N 2 1 380.456 1.105 20 0 GDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233830 953196305 /nfs/dbraw/zinc/19/63/05/953196305.db2.gz FPQWRKIIYWGBIP-MSOLQXFVSA-N 2 1 383.500 1.432 20 0 GDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233830 953196307 /nfs/dbraw/zinc/19/63/07/953196307.db2.gz FPQWRKIIYWGBIP-MSOLQXFVSA-N 2 1 383.500 1.432 20 0 GDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233830 953196312 /nfs/dbraw/zinc/19/63/12/953196312.db2.gz FPQWRKIIYWGBIP-MSOLQXFVSA-N 2 1 383.500 1.432 20 0 GDADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571234684 953204259 /nfs/dbraw/zinc/20/42/59/953204259.db2.gz FUXXLGLTCRCNGV-CVEARBPZSA-N 2 1 383.500 1.147 20 0 GDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001571235274 953210120 /nfs/dbraw/zinc/21/01/20/953210120.db2.gz YQNVESMJQSSENY-WBAXXEDZSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[NH+]1C ZINC001571235274 953210126 /nfs/dbraw/zinc/21/01/26/953210126.db2.gz YQNVESMJQSSENY-WBAXXEDZSA-N 2 1 383.500 1.288 20 0 GDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[NH+]1C ZINC001571235274 953210130 /nfs/dbraw/zinc/21/01/30/953210130.db2.gz YQNVESMJQSSENY-WBAXXEDZSA-N 2 1 383.500 1.288 20 0 GDADMP Cc1cc(N(C)[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252466 953328275 /nfs/dbraw/zinc/32/82/75/953328275.db2.gz NJDPAIUVAHNJHZ-GDBMZVCRSA-N 2 1 384.488 1.092 20 0 GDADMP [NH3+]CCc1nc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cs1 ZINC000194790015 531009975 /nfs/dbraw/zinc/00/99/75/531009975.db2.gz NJARJTWFJZFNMV-UHFFFAOYSA-N 2 1 380.436 1.371 20 0 GDADMP CO[C@@H](C[NH3+])CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000262806163 531131821 /nfs/dbraw/zinc/13/18/21/531131821.db2.gz SFFJFSXBXNJDOX-MRXNPFEDSA-N 2 1 384.318 1.894 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415329936 531475484 /nfs/dbraw/zinc/47/54/84/531475484.db2.gz KNCJBSQTVASZCB-GFCCVEGCSA-N 2 1 397.317 1.565 20 0 GDADMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)cc1Br ZINC000415329940 531475799 /nfs/dbraw/zinc/47/57/99/531475799.db2.gz KNCJBSQTVASZCB-LBPRGKRZSA-N 2 1 397.317 1.565 20 0 GDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](CCO)Cc2ccc(Br)s2)C1 ZINC000414756441 531462883 /nfs/dbraw/zinc/46/28/83/531462883.db2.gz QVJSWIMZTVUJIJ-LBPRGKRZSA-N 2 1 390.347 1.502 20 0 GDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000641804604 531852738 /nfs/dbraw/zinc/85/27/38/531852738.db2.gz ZIWJSNIOYQNFGW-ZIAGYGMSSA-N 2 1 386.327 1.752 20 0 GDADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736454420 599076766 /nfs/dbraw/zinc/07/67/66/599076766.db2.gz YOERURYLZCTMKG-GOSISDBHSA-N 2 1 385.516 1.837 20 0 GDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000736568843 598540452 /nfs/dbraw/zinc/54/04/52/598540452.db2.gz DMRUBKPRQUAVFC-UHFFFAOYSA-N 2 1 397.527 1.633 20 0 GDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)CC)CC2)[C@H](C)C1 ZINC000539065552 650327661 /nfs/dbraw/zinc/32/76/61/650327661.db2.gz INXISLDAXMQREF-SJLPKXTDSA-N 2 1 375.579 1.527 20 0 GDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2S(C)(=O)=O)[C@@H](C)C1 ZINC000552333786 650623528 /nfs/dbraw/zinc/62/35/28/650623528.db2.gz OXWWJCCVOGLYCL-KSZLIROESA-N 2 1 375.579 1.527 20 0 GDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000365001622 645581672 /nfs/dbraw/zinc/58/16/72/645581672.db2.gz QKLBQZBMGLLQIX-UHFFFAOYSA-N 2 1 376.366 1.360 20 0 GDADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420345232 645940892 /nfs/dbraw/zinc/94/08/92/645940892.db2.gz ACEYCEIVQLGQMH-OAHLLOKOSA-N 2 1 385.339 1.931 20 0 GDADMP C[NH+]1CCC(NC(=S)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000920308250 660270056 /nfs/dbraw/zinc/27/00/56/660270056.db2.gz ZTPHDNYMVNHKNF-MRXNPFEDSA-N 2 1 381.615 1.595 20 0 GDADMP CN(CCC[N@@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1)CC[NH+](C)C ZINC000577876046 651761054 /nfs/dbraw/zinc/76/10/54/651761054.db2.gz KVWGTZIUPVFXSG-UHFFFAOYSA-N 2 1 376.954 1.303 20 0 GDADMP O=C(NCC12CC(C1)C[NH2+]2)c1sc2c(c1I)C[NH2+]C2 ZINC000595988034 652431608 /nfs/dbraw/zinc/43/16/08/652431608.db2.gz NFXQAHGAQWPXOL-UHFFFAOYSA-N 2 1 389.262 1.438 20 0 GDADMP C[NH+](C)C[C@@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000637473253 653529291 /nfs/dbraw/zinc/52/92/91/653529291.db2.gz JSZBYSKHEXUJBD-NVXWUHKLSA-N 2 1 389.327 1.962 20 0 GDADMP C[NH+](C)CC1CC[NH+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000637907891 653532066 /nfs/dbraw/zinc/53/20/66/653532066.db2.gz UTKAQMWJTYSYRF-UHFFFAOYSA-N 2 1 390.347 1.870 20 0 GDADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000643521861 653583347 /nfs/dbraw/zinc/58/33/47/653583347.db2.gz DMGWKKOCUWEGIV-PWSUYJOCSA-N 2 1 376.320 1.889 20 0 GDADMP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c(Br)c1 ZINC000647835000 653635753 /nfs/dbraw/zinc/63/57/53/653635753.db2.gz IOJREKXHRURZEW-AWEZNQCLSA-N 2 1 383.334 1.922 20 0 GDADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c(Br)c1 ZINC000647835000 653635756 /nfs/dbraw/zinc/63/57/56/653635756.db2.gz IOJREKXHRURZEW-AWEZNQCLSA-N 2 1 383.334 1.922 20 0 GDADMP O=C(NCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cn1 ZINC000658096865 654182147 /nfs/dbraw/zinc/18/21/47/654182147.db2.gz SRGQXADULIUZFA-HNNXBMFYSA-N 2 1 397.317 1.417 20 0 GDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000664315615 654373973 /nfs/dbraw/zinc/37/39/73/654373973.db2.gz UWPNNXXVASHNFX-LBPRGKRZSA-N 2 1 397.321 1.494 20 0 GDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000664315615 654373978 /nfs/dbraw/zinc/37/39/78/654373978.db2.gz UWPNNXXVASHNFX-LBPRGKRZSA-N 2 1 397.321 1.494 20 0 GDADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291518 654402834 /nfs/dbraw/zinc/40/28/34/654402834.db2.gz DEHSSIZPKOKZAI-SNVBAGLBSA-N 2 1 394.273 1.910 20 0 GDADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)c2cccs2)CC1 ZINC000675724677 654623501 /nfs/dbraw/zinc/62/35/01/654623501.db2.gz YKIYUICKKLBEGE-INIZCTEOSA-N 2 1 386.587 1.050 20 0 GDADMP O=S(=O)([C@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)N1CCOCC1 ZINC000873208923 656389749 /nfs/dbraw/zinc/38/97/49/656389749.db2.gz YCJIORKZYNJGPH-INIZCTEOSA-N 2 1 385.555 1.020 20 0 GDADMP O=S(=O)([C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)N1CCOCC1 ZINC000873208923 656389754 /nfs/dbraw/zinc/38/97/54/656389754.db2.gz YCJIORKZYNJGPH-INIZCTEOSA-N 2 1 385.555 1.020 20 0 GDADMP CC[N@@H+](C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@@H]1CCC[NH2+]CC1 ZINC000923334058 656546086 /nfs/dbraw/zinc/54/60/86/656546086.db2.gz AJZQUNBWNZOMRD-HZPDHXFCSA-N 2 1 375.579 1.452 20 0 GDADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000923490840 656556218 /nfs/dbraw/zinc/55/62/18/656556218.db2.gz WIWNAPCXVKHCNE-GFCCVEGCSA-N 2 1 383.290 1.175 20 0 GDADMP [NH3+][C@H](C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000877328901 656667464 /nfs/dbraw/zinc/66/74/64/656667464.db2.gz OBVSHGDRPOIKDH-DOMZBBRYSA-N 2 1 382.302 1.724 20 0 GDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924945419 656687290 /nfs/dbraw/zinc/68/72/90/656687290.db2.gz GTHVRBACQYTXAN-HNNXBMFYSA-N 2 1 381.318 1.975 20 0 GDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884180340 657333234 /nfs/dbraw/zinc/33/32/34/657333234.db2.gz VDFJPYXEYSGGPQ-HOTGVXAUSA-N 2 1 384.318 1.922 20 0 GDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894376350 658548310 /nfs/dbraw/zinc/54/83/10/658548310.db2.gz SEXNHHZGBNQBGF-UHFFFAOYSA-N 2 1 387.981 1.750 20 0 GDADMP