smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000004237325 291381763 /nfs/dbraw/zinc/38/17/63/291381763.db2.gz VKCPPUWDFOWZSZ-RBBKRZOGSA-N 1 0 431.555 4.335 40 0 biogenic,in-vitro IIABRO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2cn(C)c3ccccc23)n1 ZINC000035424933 523967013 /nfs/dbraw/zinc/96/70/13/523967013.db2.gz AMKWUEHBQZRZDR-NRFANRHFSA-N 1 0 432.528 4.019 40 0 biogenic,in-vitro IIABRO C[NH+](C)CC(C)(C)CNc1nc(-c2cccnc2)nc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000012233220 524047299 /nfs/dbraw/zinc/04/72/99/524047299.db2.gz SDSZIMFWBJQZGC-UHFFFAOYSA-N 1 0 448.590 4.236 40 0 IIABRO Cc1cc(N)c2cc(NC(=O)C(C)(C)C(=O)Nc3ccc4[nH+]c(C)cc(N)c4c3)ccc2[nH+]1 ZINC000001871251 555721816 /nfs/dbraw/zinc/72/18/16/555721816.db2.gz DCKUSUMEBGLKIX-UHFFFAOYSA-N 1 0 442.523 4.168 40 0 IIABRO COc1ccc(C(=O)N2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1Br ZINC000408604034 555973377 /nfs/dbraw/zinc/97/33/77/555973377.db2.gz CVXDNGRVVNCXHW-IBGZPJMESA-N 1 0 429.358 4.121 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c(OC)c1 ZINC000009933429 556316786 /nfs/dbraw/zinc/31/67/86/556316786.db2.gz LCJQCOAFKBGZLJ-XMMPIXPASA-N 1 0 436.596 4.397 40 0 IIABRO O=C(Nc1ccccc1C(=O)N1CCCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039742802 556437993 /nfs/dbraw/zinc/43/79/93/556437993.db2.gz CNCLPIDGGJEVGR-UHFFFAOYSA-N 1 0 425.960 4.427 40 0 IIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)CC1 ZINC000039750110 556438409 /nfs/dbraw/zinc/43/84/09/556438409.db2.gz ZVMLTCLTUYJQBL-UHFFFAOYSA-N 1 0 442.563 4.171 40 0 IIABRO O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030942396 556516270 /nfs/dbraw/zinc/51/62/70/556516270.db2.gz CGTRPLSMXWPINT-QFIPXVFZSA-N 1 0 435.568 4.224 40 0 IIABRO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Br)c1OCc1ccc(F)cc1 ZINC000016611364 556618132 /nfs/dbraw/zinc/61/81/32/556618132.db2.gz QYTQTUFWKUKJBB-KRWDZBQOSA-N 1 0 426.326 4.426 40 0 IIABRO O=C(Nc1ccccc1C(=O)N1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038854684 556625381 /nfs/dbraw/zinc/62/53/81/556625381.db2.gz QREUDKFTJOTBSO-IBGZPJMESA-N 1 0 425.960 4.427 40 0 IIABRO O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038855878 556625631 /nfs/dbraw/zinc/62/56/31/556625631.db2.gz IHXGUWWHOLLCID-LJQANCHMSA-N 1 0 435.499 4.199 40 0 IIABRO O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038855879 556625803 /nfs/dbraw/zinc/62/58/03/556625803.db2.gz IHXGUWWHOLLCID-IBGZPJMESA-N 1 0 435.499 4.199 40 0 IIABRO O=C(CC1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014727 556691852 /nfs/dbraw/zinc/69/18/52/556691852.db2.gz VYKBLEKZNOKEIC-LJQANCHMSA-N 1 0 426.605 4.159 40 0 IIABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccccc2OC[C@H]2CCCO2)CC1 ZINC000019021148 556693650 /nfs/dbraw/zinc/69/36/50/556693650.db2.gz FZKHZMGFNAYDHZ-OAQYLSRUSA-N 1 0 426.532 4.011 40 0 IIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cc1 ZINC000019022489 556694290 /nfs/dbraw/zinc/69/42/90/556694290.db2.gz MQMMEEPMHFMYHA-KNQAVFIVSA-N 1 0 445.485 4.400 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(OC)c1 ZINC000019081887 556696690 /nfs/dbraw/zinc/69/66/90/556696690.db2.gz BWUHHFMUGQHLPG-AUSIDOKSSA-N 1 0 425.573 4.214 40 0 IIABRO O=C1O[C@]2(CC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)CN1Cc1ccc(F)cc1 ZINC000257213612 556702667 /nfs/dbraw/zinc/70/26/67/556702667.db2.gz CIIKLVYGTASGHS-SANMLTNESA-N 1 0 447.510 4.397 40 0 IIABRO Cc1c2cc(C)ccc2oc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C(C)C)C2 ZINC000019220408 556715123 /nfs/dbraw/zinc/71/51/23/556715123.db2.gz ZXSKBAOOEAWDQF-NRFANRHFSA-N 1 0 448.567 4.267 40 0 IIABRO Cc1cccc2c1[nH]c([C@H]1CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C1)c2-c1ccncc1 ZINC000019236510 556721279 /nfs/dbraw/zinc/72/12/79/556721279.db2.gz USHNZPHAQUHSDY-IRLDBZIGSA-N 1 0 446.595 4.213 40 0 IIABRO Cn1cc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)c2ccccc21 ZINC000019290369 556730587 /nfs/dbraw/zinc/73/05/87/556730587.db2.gz OETSIMZPOQHOSF-FCHUYYIVSA-N 1 0 426.944 4.216 40 0 IIABRO O=C(c1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000019400289 556753292 /nfs/dbraw/zinc/75/32/92/556753292.db2.gz IENKDIJMTSADLM-LSQMVHIFSA-N 1 0 433.502 4.490 40 0 IIABRO CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)[nH]c2=O)C1 ZINC000019448359 556758073 /nfs/dbraw/zinc/75/80/73/556758073.db2.gz ZOAMMLWETAHBNF-LJQANCHMSA-N 1 0 440.613 4.256 40 0 IIABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CCCCC4)[nH]c(=O)c3C2)CC1 ZINC000019495983 556768812 /nfs/dbraw/zinc/76/88/12/556768812.db2.gz PKXMERRELUUPNN-RKOYOZNISA-N 1 0 426.605 4.363 40 0 IIABRO CCOc1ccccc1C(=O)N1CCCC[C@H]2C[N@H+](Cc3ccccc3-n3cccn3)C[C@H]21 ZINC000019520110 556775834 /nfs/dbraw/zinc/77/58/34/556775834.db2.gz BRSSIVOGBYFBLL-WIOPSUGQSA-N 1 0 444.579 4.398 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)cc1 ZINC000019533281 556793264 /nfs/dbraw/zinc/79/32/64/556793264.db2.gz YGYNLQQKHDYYME-DEOSSOPVSA-N 1 0 429.564 4.280 40 0 IIABRO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4ccc(OC(F)F)c(OC)c4)[C@H]3C2)cc1 ZINC000019553159 556796984 /nfs/dbraw/zinc/79/69/84/556796984.db2.gz FDDXBKQMNVSXLS-QUCCMNQESA-N 1 0 446.494 4.042 40 0 IIABRO COc1ccc2c(c1)[nH]cc2[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2 ZINC000019563106 556804048 /nfs/dbraw/zinc/80/40/48/556804048.db2.gz VYDPHHASBJCMCF-VXKWHMMOSA-N 1 0 442.943 4.214 40 0 IIABRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)cc1Cc1c(C)noc1C ZINC000019581015 556819380 /nfs/dbraw/zinc/81/93/80/556819380.db2.gz BTNJIQQBDWYLQW-UHFFFAOYSA-N 1 0 436.552 4.383 40 0 IIABRO Cc1ccc2cc(CN(CCC[NH+](C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000004162006 556820276 /nfs/dbraw/zinc/82/02/76/556820276.db2.gz IAMCQTRKWDKEPT-UHFFFAOYSA-N 1 0 426.561 4.126 40 0 IIABRO CC[C@@H](C)NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCC[N@@H+]1CC ZINC000004217035 556820884 /nfs/dbraw/zinc/82/08/84/556820884.db2.gz AELTZOPKAFPBLU-UTKZUKDTSA-N 1 0 428.646 4.104 40 0 IIABRO Cc1cc(C)c2cc(CN(Cc3cccs3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000006301514 556832384 /nfs/dbraw/zinc/83/23/84/556832384.db2.gz DHMMJJZIQPXMFO-UHFFFAOYSA-N 1 0 442.654 4.035 40 0 IIABRO COCCc1ncc(C[NH+]2CCC(c3cc(Cc4ccccc4OC)cc(C)n3)CC2)cn1 ZINC000019691734 556847468 /nfs/dbraw/zinc/84/74/68/556847468.db2.gz UDKKFNYNSWMGFH-UHFFFAOYSA-N 1 0 446.595 4.348 40 0 IIABRO CNc1cc(CN(C)C(=O)C2(c3cc(C)cc(C)c3)CCCC2)nc(C2CC[NH2+]CC2)n1 ZINC000019710174 556872141 /nfs/dbraw/zinc/87/21/41/556872141.db2.gz YHVPQAXJWSCROK-UHFFFAOYSA-N 1 0 435.616 4.073 40 0 IIABRO O=C(c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCc2ccccc2C1 ZINC000408868477 556874117 /nfs/dbraw/zinc/87/41/17/556874117.db2.gz MRCOCIULDNCMHY-UHFFFAOYSA-N 1 0 425.576 4.203 40 0 IIABRO C[NH+]1CCC(Nc2n[nH]c3nc([C@@H]4CCCN(C(=O)CC5CCCCC5)C4)ccc23)CC1 ZINC000019742916 556887211 /nfs/dbraw/zinc/88/72/11/556887211.db2.gz CLTSZRVXUUHTHN-LJQANCHMSA-N 1 0 438.620 4.140 40 0 IIABRO Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](Cc3cn(C)c4ccccc34)CC2)n1 ZINC000019756687 556900657 /nfs/dbraw/zinc/90/06/57/556900657.db2.gz RNVBKMWVLRWDJI-UHFFFAOYSA-N 1 0 448.596 4.075 40 0 IIABRO O=C(NCCO)c1cc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)nc2ccccc21 ZINC000019761881 556905659 /nfs/dbraw/zinc/90/56/59/556905659.db2.gz IJJPUBDYKFRTIC-OAHLLOKOSA-N 1 0 444.362 4.253 40 0 IIABRO C[C@H](C(=O)Nc1ccc(CC[C@H]2CC[N@H+](C)C[C@@H]2C)cc1)c1n[nH]c(=O)c2ccccc21 ZINC000072335306 556907962 /nfs/dbraw/zinc/90/79/62/556907962.db2.gz RAZNZCDJPFHABZ-BJLQDIEVSA-N 1 0 432.568 4.186 40 0 IIABRO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cn1 ZINC000072354236 556929630 /nfs/dbraw/zinc/92/96/30/556929630.db2.gz DORATSJMDJICSV-HSZRJFAPSA-N 1 0 434.559 4.478 40 0 IIABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409058354 556935429 /nfs/dbraw/zinc/93/54/29/556935429.db2.gz XIRJXFZOSHFNBS-HCOVDNQSSA-O 1 0 426.540 4.135 40 0 IIABRO Cc1nn(C)cc1C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371467 556939191 /nfs/dbraw/zinc/93/91/91/556939191.db2.gz XWLZHMBMEWFDJQ-INIZCTEOSA-N 1 0 433.478 4.081 40 0 IIABRO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371746 556940767 /nfs/dbraw/zinc/94/07/67/556940767.db2.gz MWLAKFLDGQUJBF-QGZVFWFLSA-N 1 0 425.964 4.135 40 0 IIABRO Cc1cccnc1Nc1ccc(C2CC[NH+](Cc3ccc4c(c3)n(C)c(=O)n4C)CC2)nc1 ZINC000072374311 556947748 /nfs/dbraw/zinc/94/77/48/556947748.db2.gz GQIXPUNZLGAXGD-UHFFFAOYSA-N 1 0 442.567 4.099 40 0 IIABRO Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000072374712 556948812 /nfs/dbraw/zinc/94/88/12/556948812.db2.gz GJYGUVGESJZNCJ-FQEVSTJZSA-N 1 0 433.600 4.217 40 0 IIABRO Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000072375019 556950025 /nfs/dbraw/zinc/95/00/25/556950025.db2.gz HBKCBZYQDCUIHS-LJQANCHMSA-N 1 0 434.544 4.094 40 0 IIABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)[nH+]1 ZINC000072375013 556950049 /nfs/dbraw/zinc/95/00/49/556950049.db2.gz ZROXHWVWKJNUHQ-GOSISDBHSA-N 1 0 435.503 4.238 40 0 IIABRO CC(=O)NC1(CC(=O)N2CCC[C@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)CCCCC1 ZINC000072375064 556950464 /nfs/dbraw/zinc/95/04/64/556950464.db2.gz PUPBAQMLIGYBOD-NRFANRHFSA-N 1 0 449.599 4.464 40 0 IIABRO Cc1nc(C2CC[NH+](Cc3ccncc3)CC2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000072380038 556957314 /nfs/dbraw/zinc/95/73/14/556957314.db2.gz YARAULYGVQTEOQ-UHFFFAOYSA-N 1 0 445.542 4.178 40 0 IIABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000020111815 556986330 /nfs/dbraw/zinc/98/63/30/556986330.db2.gz SCOGZJLEIOTBQF-UHFFFAOYSA-N 1 0 443.613 4.096 40 0 IIABRO Cc1nc2cc([C@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000257310167 557003754 /nfs/dbraw/zinc/00/37/54/557003754.db2.gz UDYHQPIBEFZRHE-WIYYLYMNSA-N 1 0 445.558 4.153 40 0 IIABRO Cc1ccc2ncc(C[NH+]3CCC4(CC(Nc5cc(C(F)(F)F)ncn5)C4)CC3)n2c1 ZINC000585103197 557037088 /nfs/dbraw/zinc/03/70/88/557037088.db2.gz MVSKLQTZTALPML-UHFFFAOYSA-N 1 0 430.478 4.308 40 0 IIABRO COc1ccc(-c2n[nH]cc2C(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)cc1 ZINC000409415156 557110295 /nfs/dbraw/zinc/11/02/95/557110295.db2.gz VSSYIVJWTHVJSH-FKCCAMBISA-N 1 0 432.568 4.121 40 0 IIABRO COc1ccc(-c2n[nH]cc2C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)cc1 ZINC000263586562 557147021 /nfs/dbraw/zinc/14/70/21/557147021.db2.gz VSSYIVJWTHVJSH-RDMBEQIISA-N 1 0 432.568 4.121 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=S)NCc1ccccc1 ZINC000006193479 557148579 /nfs/dbraw/zinc/14/85/79/557148579.db2.gz WBFVSEPXKDJBOT-UHFFFAOYSA-N 1 0 436.625 4.055 40 0 IIABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)N[C@H](C)c3ccccc3)cc2c1 ZINC000006197724 557149363 /nfs/dbraw/zinc/14/93/63/557149363.db2.gz KGHOWJSKRZNSRR-GOSISDBHSA-N 1 0 436.625 4.090 40 0 IIABRO O=C(CCc1cccnc1)N1C[C@H]2C[NH+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000096245522 557188292 /nfs/dbraw/zinc/18/82/92/557188292.db2.gz ZHLXVBMHQDXKJZ-CLJLJLNGSA-N 1 0 425.576 4.237 40 0 IIABRO Cc1cc(Nc2ncc(-c3ccccc3)s2)nc(C2CCN(C(=O)C(C)(C)[NH3+])CC2)n1 ZINC000585263026 557203090 /nfs/dbraw/zinc/20/30/90/557203090.db2.gz HUZYZWMBANVUOU-UHFFFAOYSA-N 1 0 436.585 4.095 40 0 IIABRO Cc1ncsc1CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585268813 557209809 /nfs/dbraw/zinc/20/98/09/557209809.db2.gz KLRNRGXAGLFQEN-VXKWHMMOSA-N 1 0 444.984 4.351 40 0 IIABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000219239596 557232432 /nfs/dbraw/zinc/23/24/32/557232432.db2.gz CGOIFLLEEJIAPY-JPYJTQIMSA-N 1 0 428.598 4.203 40 0 IIABRO O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000219424585 557244548 /nfs/dbraw/zinc/24/45/48/557244548.db2.gz QVIVIPGGZBWLDP-UHFFFAOYSA-N 1 0 428.895 4.058 40 0 IIABRO CCOc1cc(CNCC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1Cl ZINC000023471974 557314989 /nfs/dbraw/zinc/31/49/89/557314989.db2.gz XYEXIZMOJFVGHI-HNNXBMFYSA-N 1 0 427.372 4.031 40 0 IIABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1Cc1ccco1 ZINC000223216957 557447213 /nfs/dbraw/zinc/44/72/13/557447213.db2.gz FOLRCOLWRMHTJE-DHIUTWEWSA-N 1 0 437.613 4.065 40 0 IIABRO CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019499698 557499685 /nfs/dbraw/zinc/49/96/85/557499685.db2.gz OCKVDLLRLLFYDC-XMMPIXPASA-N 1 0 447.631 4.406 40 0 IIABRO COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000064198147 557832558 /nfs/dbraw/zinc/83/25/58/557832558.db2.gz VRKKVUUNLQWSCP-LSRZYVKLSA-N 1 0 441.959 4.467 40 0 IIABRO Cc1ccc(OCC2(O)CC[NH+](Cc3cccc(OCCCn4ccnc4)c3)CC2)c(C)c1 ZINC000585271260 568617526 /nfs/dbraw/zinc/61/75/26/568617526.db2.gz MFVNJGGGFWBHAU-UHFFFAOYSA-N 1 0 449.595 4.375 40 0 IIABRO Cc1cnn(CCOc2ccc(C[N@@H+]3CCC[C@](O)(COc4ccc(C)cc4)CC3)cc2)c1 ZINC000585274634 568618669 /nfs/dbraw/zinc/61/86/69/568618669.db2.gz XVZFANVFFFPHCV-HHHXNRCGSA-N 1 0 449.595 4.375 40 0 IIABRO Cc1nc2cc([C@@H]3CCC[N@@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257201499 568665834 /nfs/dbraw/zinc/66/58/34/568665834.db2.gz AHXQQVAKUYXRLP-URXFXBBRSA-N 1 0 435.616 4.394 40 0 IIABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)CC[NH+]4CCCC4)CC3)CO[C@H]21 ZINC000257204339 568667386 /nfs/dbraw/zinc/66/73/86/568667386.db2.gz AUBNLXJNGWLJFO-NZQKXSOJSA-N 1 0 442.600 4.039 40 0 IIABRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000257205611 568667485 /nfs/dbraw/zinc/66/74/85/568667485.db2.gz AZVQTBRKNJZVPO-KRWDZBQOSA-N 1 0 444.532 4.446 40 0 IIABRO COc1cccc(-c2nccc([C@@H]3CCCN3C(=O)c3ccccc3Cn3ccnc3)n2)c1 ZINC000257237929 568682855 /nfs/dbraw/zinc/68/28/55/568682855.db2.gz HIWPMNLQYLHOFM-DEOSSOPVSA-N 1 0 439.519 4.374 40 0 IIABRO CNc1ncc(C[NH+]2CCC3(CC2)CO[C@@H]2c4ccc(OC)cc4OC(C)(C)[C@H]2C3)cn1 ZINC000257265337 568695638 /nfs/dbraw/zinc/69/56/38/568695638.db2.gz LYGYKCJMNUVVOL-RBBKRZOGSA-N 1 0 438.572 4.058 40 0 IIABRO CCOc1ccc(C[N@@H+]2CC[C@H](c3c4ccccc4sc3C(=O)N(C)C)C2)cc1CO ZINC000257267382 568696443 /nfs/dbraw/zinc/69/64/43/568696443.db2.gz MHBFWTSGUNEMOL-SFHVURJKSA-N 1 0 438.593 4.484 40 0 IIABRO CC1(C)CC(CC(=O)N2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)CC(C)(C)[NH2+]1 ZINC000257269481 568697332 /nfs/dbraw/zinc/69/73/32/568697332.db2.gz MQEHZTDBYSJFEA-FQEVSTJZSA-N 1 0 437.588 4.067 40 0 IIABRO Cc1cccc(Nc2cncc(C3CCN(C(=O)CC4=CC(C)(C)[NH2+]C(C)(C)C4)CC3)n2)n1 ZINC000257274331 568699426 /nfs/dbraw/zinc/69/94/26/568699426.db2.gz NKMZNGJCHKHOTF-UHFFFAOYSA-N 1 0 448.615 4.497 40 0 IIABRO CCOc1ccc(C[NH+]2CCC(c3cncc(Nc4nc(C)cs4)n3)CC2)cc1CO ZINC000257292649 568707926 /nfs/dbraw/zinc/70/79/26/568707926.db2.gz QMLBHHBKMSITDK-UHFFFAOYSA-N 1 0 439.585 4.256 40 0 IIABRO CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2ccncc2)CC1 ZINC000257295153 568709012 /nfs/dbraw/zinc/70/90/12/568709012.db2.gz QXEQEBIIFOCWAX-UHFFFAOYSA-N 1 0 428.580 4.493 40 0 IIABRO Cc1cccnc1Nc1cncc(C2CCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)CC2)n1 ZINC000257320750 568720299 /nfs/dbraw/zinc/72/02/99/568720299.db2.gz VYKWPOCETCCOKY-UHFFFAOYSA-N 1 0 448.615 4.497 40 0 IIABRO Cc1ccccc1C[N@H+]1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 ZINC000257322576 568721040 /nfs/dbraw/zinc/72/10/40/568721040.db2.gz WGNXPHFESJDUKH-JOCHJYFZSA-N 1 0 433.600 4.101 40 0 IIABRO CCn1ccnc1C[NH+]1CCC2(CC1)CO[C@@H]1c3cc(OC)ccc3OC(C)(C)[C@H]1C2 ZINC000257326598 568723164 /nfs/dbraw/zinc/72/31/64/568723164.db2.gz WXVCCKWSBPLZRD-NZQKXSOJSA-N 1 0 425.573 4.443 40 0 IIABRO CC(C)c1nc2c(s1)CN(C(=O)N1CCCC1)CC21CC[NH+](Cc2cccnc2)CC1 ZINC000306126799 568764495 /nfs/dbraw/zinc/76/44/95/568764495.db2.gz FFOCDURHQIUBMX-UHFFFAOYSA-N 1 0 439.629 4.227 40 0 IIABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccncc5)C4)nn3c2)c1OC ZINC000306129394 568765690 /nfs/dbraw/zinc/76/56/90/568765690.db2.gz IBVUJMWXVRLBQE-HXUWFJFHSA-N 1 0 429.524 4.188 40 0 IIABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 ZINC000306130525 568766166 /nfs/dbraw/zinc/76/61/66/568766166.db2.gz JIXJFMVXUNTGMK-AHWVRZQESA-N 1 0 447.966 4.132 40 0 IIABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2ccsc2)C[C@]12CCCN(Cc1cccnc1)C2=O ZINC000306132462 568767434 /nfs/dbraw/zinc/76/74/34/568767434.db2.gz LJYWAOAIRWOFTI-WIOPSUGQSA-N 1 0 449.624 4.329 40 0 IIABRO O=C(c1ccccc1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CC[NH+]1CCCC1 ZINC000306143386 568773228 /nfs/dbraw/zinc/77/32/28/568773228.db2.gz YAVUFYVFZQEMAG-UHFFFAOYSA-N 1 0 442.563 4.170 40 0 IIABRO Cc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC[NH+](C)C)n2)c1C ZINC000328966690 568807991 /nfs/dbraw/zinc/80/79/91/568807991.db2.gz COBYRXZYOBZCQA-UHFFFAOYSA-N 1 0 445.489 4.220 40 0 IIABRO COc1ccccc1-c1n[nH]cc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000253410929 568920049 /nfs/dbraw/zinc/92/00/49/568920049.db2.gz NYFNOLMYHKOVBN-BBVKZKKFSA-N 1 0 432.568 4.121 40 0 IIABRO O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198808 568921683 /nfs/dbraw/zinc/92/16/83/568921683.db2.gz IXXDWTWTRRMKFM-XBLPNDSKSA-N 1 0 428.580 4.211 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCCN(Cc3cc(F)ccc3F)C2)[N@H+](C)C1 ZINC000248152709 569207334 /nfs/dbraw/zinc/20/73/34/569207334.db2.gz UVHMCUBZXAOWPH-GWJPWWOOSA-N 1 0 443.538 4.144 40 0 IIABRO C[C@H](C(=O)Nc1ccc(CC[C@@H]2CC[N@H+](C)C[C@H]2C)cc1)c1n[nH]c(=O)c2ccccc21 ZINC000253607079 569209179 /nfs/dbraw/zinc/20/91/79/569209179.db2.gz RAZNZCDJPFHABZ-WSTZPKSXSA-N 1 0 432.568 4.186 40 0 IIABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@H+](Cc3ccc(OC)c(C)c3)C1)O2 ZINC000012235412 569224870 /nfs/dbraw/zinc/22/48/70/569224870.db2.gz IKQAXIIUWAIAGU-HFZDXXHNSA-N 1 0 438.568 4.034 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(C)c1C ZINC000019577342 569227159 /nfs/dbraw/zinc/22/71/59/569227159.db2.gz XKQSCTLRMDHXOT-ATIYNZHBSA-N 1 0 444.579 4.485 40 0 IIABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3ccncc3)CC2)sc1CCOc1ccccc1F ZINC000019696256 569229698 /nfs/dbraw/zinc/22/96/98/569229698.db2.gz CEMWNLVPSPRWAT-XMMPIXPASA-N 1 0 441.572 4.481 40 0 IIABRO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](c3cc(COc4ccccc4F)[nH]n3)C1)CO2 ZINC000019704674 569233681 /nfs/dbraw/zinc/23/36/81/569233681.db2.gz RGHSTAWBIOUUPD-SFHVURJKSA-N 1 0 435.499 4.402 40 0 IIABRO COc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H](c2nc(C)c3c(n2)N(C)C(=O)CC3)C1 ZINC000019739000 569236285 /nfs/dbraw/zinc/23/62/85/569236285.db2.gz UTVGSIOIVJOBPH-HXUWFJFHSA-N 1 0 442.563 4.359 40 0 IIABRO CCOC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020241758 569241237 /nfs/dbraw/zinc/24/12/37/569241237.db2.gz PUZBMRQPPFSHRG-UHFFFAOYSA-N 1 0 443.547 4.438 40 0 IIABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857024 569249324 /nfs/dbraw/zinc/24/93/24/569249324.db2.gz CGOIFLLEEJIAPY-FDDCHVKYSA-N 1 0 428.598 4.203 40 0 IIABRO CCOC(=O)c1c(NC(=O)C[N@@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2cc(OC)ccc2n1C ZINC000009109790 569293835 /nfs/dbraw/zinc/29/38/35/569293835.db2.gz RZZYYEPAEZYLPZ-LMKMVOKYSA-N 1 0 441.572 4.203 40 0 IIABRO COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCC[N@@H+]2CCc2ccccc2)cc1 ZINC000019752114 569328440 /nfs/dbraw/zinc/32/84/40/569328440.db2.gz PPSPJPBUNBMSFP-XMMPIXPASA-N 1 0 430.552 4.103 40 0 IIABRO COc1cccc(CNC(=O)c2cnc([C@H]3CC[N@H+](Cc4ccccc4C)C3)nc2C)c1 ZINC000019757938 569328717 /nfs/dbraw/zinc/32/87/17/569328717.db2.gz WDPRPGVCIFNJPJ-QFIPXVFZSA-N 1 0 430.552 4.022 40 0 IIABRO CC1(C)[C@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000067890178 291379781 /nfs/dbraw/zinc/37/97/81/291379781.db2.gz MRUCRNHMLQSUDD-GJZUVCINSA-N 1 0 445.611 4.139 40 0 biogenic,in-vitro IIABRO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](CCCc2ccccc2)C1)c1ccc(F)cc1 ZINC000004236234 291385797 /nfs/dbraw/zinc/38/57/97/291385797.db2.gz XJUNBSLBWAGXKY-RBBKRZOGSA-N 1 0 445.538 4.292 40 0 biogenic,in-vitro IIABRO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cccc(Br)c1 ZINC000006239065 193893577 /nfs/dbraw/zinc/89/35/77/193893577.db2.gz ZZBYYPPETSKFJE-UHFFFAOYSA-N 1 0 430.302 4.300 40 0 IIABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC000022531588 521026314 /nfs/dbraw/zinc/02/63/14/521026314.db2.gz FCVFYUZIVYEGOX-QFIPXVFZSA-N 1 0 435.568 4.080 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)NCc1ccccc1 ZINC000012711734 521633722 /nfs/dbraw/zinc/63/37/22/521633722.db2.gz LXKKQTBIVFZNGZ-HSZRJFAPSA-N 1 0 432.568 4.033 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(OC)cc1 ZINC000012711753 521653065 /nfs/dbraw/zinc/65/30/65/521653065.db2.gz BYZLHDXGZGEVNA-QFIPXVFZSA-N 1 0 448.567 4.364 40 0 IIABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@H+](Cc3ccc(OC)c(C)c3)C1)O2 ZINC000012235416 525537038 /nfs/dbraw/zinc/53/70/38/525537038.db2.gz IKQAXIIUWAIAGU-LVXARBLLSA-N 1 0 438.568 4.034 40 0 IIABRO O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(CO)o2)C1 ZINC000020503203 527448189 /nfs/dbraw/zinc/44/81/89/527448189.db2.gz VPPAIKUIYGKQFD-FUHWJXTLSA-N 1 0 432.545 4.435 40 0 biogenic,in-vitro IIABRO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1c2cc(C)cc1C ZINC000009042187 555508888 /nfs/dbraw/zinc/50/88/88/555508888.db2.gz VPBLXOLTDCARML-BUKPSGGLSA-N 1 0 439.943 4.236 40 0 IIABRO CCCCOc1ccc(OCC(=O)N(CC[NH+]2CCCC2)c2ccccc2OC)cc1 ZINC000004216100 555976715 /nfs/dbraw/zinc/97/67/15/555976715.db2.gz LHQKYSCQIUUKDH-UHFFFAOYSA-N 1 0 426.557 4.382 40 0 in-man IIABRO COc1cc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cc(OC)c1OC ZINC000408609727 555979790 /nfs/dbraw/zinc/97/97/90/555979790.db2.gz OMEKUZZJSUVVSX-UHFFFAOYSA-N 1 0 438.568 4.231 40 0 IIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000039758017 556441652 /nfs/dbraw/zinc/44/16/52/556441652.db2.gz BODKNWQQNSJZLB-UHFFFAOYSA-N 1 0 431.536 4.369 40 0 IIABRO Clc1ccc(N2CCN(CCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000031666583 556525503 /nfs/dbraw/zinc/52/55/03/556525503.db2.gz XTIHYMWUBKINJP-UHFFFAOYSA-N 1 0 433.427 4.328 40 0 IIABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044855682 556671933 /nfs/dbraw/zinc/67/19/33/556671933.db2.gz OEGUJAUNBOJZNL-JOCHJYFZSA-N 1 0 426.532 4.465 40 0 IIABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856925 556672688 /nfs/dbraw/zinc/67/26/88/556672688.db2.gz NITZGWKLTPEWQY-KNQAVFIVSA-N 1 0 449.016 4.223 40 0 IIABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857022 556672879 /nfs/dbraw/zinc/67/28/79/556672879.db2.gz BWMIZDKTAXRRLR-HSZRJFAPSA-N 1 0 428.598 4.203 40 0 IIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000019021151 556693544 /nfs/dbraw/zinc/69/35/44/556693544.db2.gz KZWTUHNZZMVKOM-UHFFFAOYSA-N 1 0 433.527 4.427 40 0 IIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccccc2OC[C@H]2CCCO2)CC1 ZINC000019021143 556693657 /nfs/dbraw/zinc/69/36/57/556693657.db2.gz YGGNVPIWIMVWTD-HSZRJFAPSA-N 1 0 426.532 4.011 40 0 IIABRO COc1ccc(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c(OC)c1 ZINC000019082044 556696999 /nfs/dbraw/zinc/69/69/99/556696999.db2.gz CDDMFQHBESFGSV-QHCPKHFHSA-N 1 0 425.573 4.214 40 0 IIABRO COCC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cc(C(C)(C)C)ccc2OC)CC1 ZINC000019084431 556698457 /nfs/dbraw/zinc/69/84/57/556698457.db2.gz HGRNJQPGOHFHPC-RUZDIDTESA-N 1 0 439.600 4.104 40 0 IIABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019084444 556698498 /nfs/dbraw/zinc/69/84/98/556698498.db2.gz NSQZLUIKOWJEHY-PKTZIBPZSA-N 1 0 425.569 4.377 40 0 IIABRO O=C1O[C@]2(CC[N@H+](Cc3ccccc3OCc3cccnc3)C2)CN1Cc1ccc(F)cc1 ZINC000257207297 556702015 /nfs/dbraw/zinc/70/20/15/556702015.db2.gz BHDGLMNLWZFSLP-SANMLTNESA-N 1 0 447.510 4.397 40 0 IIABRO COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCC[N@@H+]3CCCC[C@H]3C)CCCO2)c1 ZINC000257218451 556703370 /nfs/dbraw/zinc/70/33/70/556703370.db2.gz DDFGDFAMEXDXDS-JIPXPUAJSA-N 1 0 436.596 4.445 40 0 IIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133420 556705044 /nfs/dbraw/zinc/70/50/44/556705044.db2.gz ACLNHLSHFOFFLO-HXUWFJFHSA-N 1 0 446.599 4.174 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@@H](Cc2cccc3ccncc32)C1 ZINC000257342487 556707467 /nfs/dbraw/zinc/70/74/67/556707467.db2.gz ZOWOIGIIRDBAHZ-NRFANRHFSA-N 1 0 429.564 4.162 40 0 IIABRO Cc1ccc(C2(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[nH]3)CC[N@@H+](C(C)C)C4)CCCC2)cc1 ZINC000019208486 556708291 /nfs/dbraw/zinc/70/82/91/556708291.db2.gz PPKUEFAROCEDNC-QHCPKHFHSA-N 1 0 448.611 4.433 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCC[C@]2(C[C@@H](Oc3ccccc3F)CO2)C1 ZINC000257234643 556709669 /nfs/dbraw/zinc/70/96/69/556709669.db2.gz GUMXZVZBJXLNDR-RLWLMLJZSA-N 1 0 438.543 4.264 40 0 IIABRO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000257280930 556714955 /nfs/dbraw/zinc/71/49/55/556714955.db2.gz OMZHIFRCXCSWCF-MHZLTWQESA-N 1 0 429.564 4.283 40 0 IIABRO O=C1O[C@@]2(CC[N@H+](Cc3ccccc3OCc3ccccn3)C2)CN1Cc1ccccc1 ZINC000257310940 556718541 /nfs/dbraw/zinc/71/85/41/556718541.db2.gz UHGRFBQODVIEEH-AREMUKBSSA-N 1 0 429.520 4.258 40 0 IIABRO Oc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000019374120 556750724 /nfs/dbraw/zinc/75/07/24/556750724.db2.gz FYVXUOWXUSIGAV-RPBOFIJWSA-N 1 0 431.532 4.443 40 0 IIABRO CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]c2=O)C1 ZINC000019448389 556757871 /nfs/dbraw/zinc/75/78/71/556757871.db2.gz JZUUDJGJNSRILY-QFIPXVFZSA-N 1 0 434.584 4.124 40 0 IIABRO CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CC[N@H+](Cc2cnc(CC)nc2)C1 ZINC000019523329 556780840 /nfs/dbraw/zinc/78/08/40/556780840.db2.gz LWHWNXGCFIUGCL-VWLOTQADSA-N 1 0 434.609 4.338 40 0 IIABRO CCN1CC[N@H+](Cc2ccccc2OC)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527762 556787524 /nfs/dbraw/zinc/78/75/24/556787524.db2.gz VEZHDCUNBRBFSU-XMMPIXPASA-N 1 0 429.564 4.280 40 0 IIABRO CCOc1cc2c(cc1C[NH+]1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)O[C@@H](C)C2 ZINC000019532437 556792876 /nfs/dbraw/zinc/79/28/76/556792876.db2.gz GXLCHBRCLIPEER-KRWDZBQOSA-N 1 0 426.532 4.175 40 0 IIABRO COc1ccc2c(c1)[nH]cc2[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2 ZINC000019563101 556804034 /nfs/dbraw/zinc/80/40/34/556804034.db2.gz VYDPHHASBJCMCF-YADHBBJMSA-N 1 0 442.943 4.214 40 0 IIABRO Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[nH]3)CC[N@@H+](C(C)C)C4)cc2c1C ZINC000019576805 556815167 /nfs/dbraw/zinc/81/51/67/556815167.db2.gz YHTBWGKKGTVZDA-JOCHJYFZSA-N 1 0 433.556 4.024 40 0 IIABRO Cc1cc(C)c2cc(CN(CC[NH+](C)C)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000004231227 556820606 /nfs/dbraw/zinc/82/06/06/556820606.db2.gz OQUAAGQLNJFKON-UHFFFAOYSA-N 1 0 426.948 4.394 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1OC ZINC000019584431 556821962 /nfs/dbraw/zinc/82/19/62/556821962.db2.gz NMHYYQFUVHYOJC-FQEVSTJZSA-N 1 0 433.556 4.001 40 0 IIABRO CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019591317 556826510 /nfs/dbraw/zinc/82/65/10/556826510.db2.gz QHVLJZOLQGTWFR-MHZLTWQESA-N 1 0 429.564 4.328 40 0 IIABRO Cc1cc(C)c2cc(CN(CC[NH+](C)C)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1 ZINC000006301324 556832448 /nfs/dbraw/zinc/83/24/48/556832448.db2.gz NWEBDBPMRLTBAQ-IBGZPJMESA-N 1 0 436.625 4.144 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000008586313 556841759 /nfs/dbraw/zinc/84/17/59/556841759.db2.gz SDACTFXNGMCQLR-QFIPXVFZSA-N 1 0 438.616 4.474 40 0 IIABRO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@@H+]3Cc3ccc(C)cc3OC)c2)cn1 ZINC000019691000 556846912 /nfs/dbraw/zinc/84/69/12/556846912.db2.gz YLNAWKBAUAAMHP-XMMPIXPASA-N 1 0 430.552 4.466 40 0 IIABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000019694122 556849407 /nfs/dbraw/zinc/84/94/07/556849407.db2.gz PILYJDVTIPQYNO-UHFFFAOYSA-N 1 0 449.986 4.342 40 0 IIABRO COc1cccc(-c2ccc(CN(C)Cc3cc(N(C)C)nc(C4CC[NH2+]CC4)n3)cc2)c1 ZINC000019710127 556871899 /nfs/dbraw/zinc/87/18/99/556871899.db2.gz AGEHVOYONMKIND-UHFFFAOYSA-N 1 0 445.611 4.317 40 0 IIABRO O=C1N[C@@]2(COC3(C2)CC[NH+](Cc2ccc(Cl)cc2)CC3)Nc2ccc(Cl)cc21 ZINC000072325576 556902888 /nfs/dbraw/zinc/90/28/88/556902888.db2.gz PZGVUGMIEUTYHJ-QFIPXVFZSA-N 1 0 432.351 4.300 40 0 IIABRO O=C1N[C@]2(COC3(C2)CC[NH+](Cc2ccc4ncccc4c2)CC3)Nc2ccc(Cl)cc21 ZINC000072325581 556902993 /nfs/dbraw/zinc/90/29/93/556902993.db2.gz UDPAHTSBUZQVBE-RUZDIDTESA-N 1 0 448.954 4.195 40 0 IIABRO COc1ccc2c(c1)c([C@H](O)C[N@@H+]1CCC[C@](O)(c3ccc(F)cc3)CC1)c(C)n2C ZINC000072343228 556914908 /nfs/dbraw/zinc/91/49/08/556914908.db2.gz NYJGQVOZZSASPR-ILBGXUMGSA-N 1 0 426.532 4.042 40 0 IIABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349737 556919708 /nfs/dbraw/zinc/91/97/08/556919708.db2.gz PSSBWKTULNFZKQ-LJQANCHMSA-N 1 0 431.502 4.493 40 0 IIABRO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000072352294 556923652 /nfs/dbraw/zinc/92/36/52/556923652.db2.gz MFXGURZAGWPOGB-SFHVURJKSA-N 1 0 438.597 4.180 40 0 IIABRO COc1ccc(CCN2C(=O)Cc3c2nc([C@@H]2CCC[N@@H+](C4CCCCC4)C2)nc3C)cc1 ZINC000072355730 556930465 /nfs/dbraw/zinc/93/04/65/556930465.db2.gz SMVHIYSWBFIZDX-OAQYLSRUSA-N 1 0 448.611 4.438 40 0 IIABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)CC1 ZINC000072359854 556933133 /nfs/dbraw/zinc/93/31/33/556933133.db2.gz LXEOCJDOFDWRPI-GOSISDBHSA-N 1 0 432.490 4.210 40 0 IIABRO CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000072370507 556934979 /nfs/dbraw/zinc/93/49/79/556934979.db2.gz MLYVKDAYADEIID-SFHVURJKSA-N 1 0 427.614 4.013 40 0 IIABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)cc1 ZINC000409058359 556935378 /nfs/dbraw/zinc/93/53/78/556935378.db2.gz XIRJXFZOSHFNBS-YZJHEVQWSA-O 1 0 426.540 4.135 40 0 IIABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000072370732 556936367 /nfs/dbraw/zinc/93/63/67/556936367.db2.gz XWAYTHFEVIEPFV-GOSISDBHSA-N 1 0 437.613 4.104 40 0 IIABRO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371468 556938861 /nfs/dbraw/zinc/93/88/61/556938861.db2.gz XWLZHMBMEWFDJQ-MRXNPFEDSA-N 1 0 433.478 4.081 40 0 IIABRO Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 ZINC000409065317 556941392 /nfs/dbraw/zinc/94/13/92/556941392.db2.gz FYKRQKUIYLRMHW-DLPRSZHDSA-O 1 0 426.540 4.135 40 0 IIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN3CC(=O)Nc3ccccc3F)c2)n1 ZINC000072372499 556942817 /nfs/dbraw/zinc/94/28/17/556942817.db2.gz CZEGGNONHAMOBY-JOCHJYFZSA-N 1 0 434.519 4.455 40 0 IIABRO Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)[nH+]1 ZINC000072374887 556949357 /nfs/dbraw/zinc/94/93/57/556949357.db2.gz IRPNYUGINHXLLT-QGZVFWFLSA-N 1 0 426.517 4.236 40 0 IIABRO O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]21)c1cccs1 ZINC000585110044 557042535 /nfs/dbraw/zinc/04/25/35/557042535.db2.gz ATQIMSHMHQZXCZ-LEWJYISDSA-N 1 0 431.561 4.172 40 0 IIABRO COc1ccc(-c2n[nH]cc2C(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)cc1 ZINC000409415158 557110323 /nfs/dbraw/zinc/11/03/23/557110323.db2.gz VSSYIVJWTHVJSH-VYVQKFEUSA-N 1 0 432.568 4.121 40 0 IIABRO COc1cccc(C[NH+]2CCC(Cc3cccc(-c4ccncc4)c3)(C(N)=O)CC2)c1OC ZINC000585166500 557128408 /nfs/dbraw/zinc/12/84/08/557128408.db2.gz SPLPJTICDKKZNA-UHFFFAOYSA-N 1 0 445.563 4.076 40 0 IIABRO CC(C)CN1CC2(CC[NH+](Cc3cccs3)CC2)COc2ccccc2S1(=O)=O ZINC000096037151 557164178 /nfs/dbraw/zinc/16/41/78/557164178.db2.gz MIIAODRPPREZCQ-UHFFFAOYSA-N 1 0 434.627 4.070 40 0 IIABRO CC(C)n1c2cc(C(=O)N3CCC([NH+](C)C)CC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096146451 557176606 /nfs/dbraw/zinc/17/66/06/557176606.db2.gz NMDKEDJPPGZMHM-UHFFFAOYSA-N 1 0 430.556 4.122 40 0 IIABRO C[N@@H+]1CCCN(C(=O)c2cc(-c3csc(COc4ccccc4)n3)n3ccccc23)CC1 ZINC000096154891 557179007 /nfs/dbraw/zinc/17/90/07/557179007.db2.gz DSWISPRLMNUFLV-UHFFFAOYSA-N 1 0 446.576 4.420 40 0 IIABRO Cc1cccc(C[NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(CC2CC2)C3)c1 ZINC000096263535 557191389 /nfs/dbraw/zinc/19/13/89/557191389.db2.gz JWIABJBVGDZRPG-UHFFFAOYSA-N 1 0 440.609 4.071 40 0 IIABRO COc1ccccc1-c1ccc(CC2(C(=O)N(C)C3CC[NH+](C)CC3)CCOCC2)cc1 ZINC000585263070 557202973 /nfs/dbraw/zinc/20/29/73/557202973.db2.gz INAUMWSTKASGOJ-UHFFFAOYSA-N 1 0 436.596 4.254 40 0 IIABRO Cc1ccc(Nc2nccc([C@H]3CC[C@H](CNC(=O)[C@@H]([NH3+])c4ccccc4)CC3)n2)nc1 ZINC000100708875 557270763 /nfs/dbraw/zinc/27/07/63/557270763.db2.gz AWZDZUJTWLMNDT-YYDVJCTNSA-N 1 0 430.556 4.014 40 0 IIABRO CCOc1cc(CNCC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000023471907 557314949 /nfs/dbraw/zinc/31/49/49/557314949.db2.gz JRSCBLIHZMCBGL-HNNXBMFYSA-N 1 0 427.372 4.031 40 0 IIABRO O=C(CCc1ccc(F)cc1)N1CC[N@H+](Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355237 557387359 /nfs/dbraw/zinc/38/73/59/557387359.db2.gz DQAVHNPGCGPDGC-XMMPIXPASA-N 1 0 431.555 4.357 40 0 IIABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000223259206 557452024 /nfs/dbraw/zinc/45/20/24/557452024.db2.gz SHVGCQNJGJABON-SFTDATJTSA-N 1 0 443.979 4.199 40 0 IIABRO COc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)s2)cc1 ZINC000223679702 557501297 /nfs/dbraw/zinc/50/12/97/557501297.db2.gz QXTISLRMGWKWIX-UHFFFAOYSA-N 1 0 426.517 4.204 40 0 IIABRO CCCC[N@@H+]1CCCC[C@H]1C(=O)Nc1c(C)ccc(S(=O)(=O)N2CCCCC2)c1C ZINC000004577397 557541983 /nfs/dbraw/zinc/54/19/83/557541983.db2.gz VOIDCPDDVXAFDG-FQEVSTJZSA-N 1 0 435.634 4.071 40 0 IIABRO C[NH+]1CCN(c2ccc(NC(=O)C3CCN(Cc4ccc(Cl)cc4F)CC3)cc2)CC1 ZINC000225588429 557748197 /nfs/dbraw/zinc/74/81/97/557748197.db2.gz DWUSPQWFCRLTBW-UHFFFAOYSA-N 1 0 444.982 4.082 40 0 IIABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3cccc(Br)c3)cc2)CC1 ZINC000225772046 557775554 /nfs/dbraw/zinc/77/55/54/557775554.db2.gz BKAXFJASVMPZPP-UHFFFAOYSA-N 1 0 434.403 4.409 40 0 IIABRO O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000008635718 560106930 /nfs/dbraw/zinc/10/69/30/560106930.db2.gz TYLNWEHQWYXACE-TUNNFDKTSA-N 1 0 443.513 4.208 40 0 biogenic,in-vitro IIABRO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)C2(Cc3ccccc3-c3ccncc3)CCOCC2)C1 ZINC000257197527 568664794 /nfs/dbraw/zinc/66/47/94/568664794.db2.gz CBALBWOTUMDPJG-VXKWHMMOSA-N 1 0 435.612 4.182 40 0 IIABRO Cc1cccc(C[N@@H+]2CC[C@@H](c3cc4nc(C)c(CCC(=O)NC(C)(C)C)c(C)n4n3)C2)c1 ZINC000257202972 568666675 /nfs/dbraw/zinc/66/66/75/568666675.db2.gz AOCMLZKBMIHDEE-JOCHJYFZSA-N 1 0 447.627 4.491 40 0 IIABRO Cc1ccccc1-c1noc([C@@H]2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)n1 ZINC000257225516 568676723 /nfs/dbraw/zinc/67/67/23/568676723.db2.gz FGNZEIORJWOGMR-OAHLLOKOSA-N 1 0 430.430 4.492 40 0 IIABRO C[N@H+](CCC(=O)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1)Cc1ccccn1 ZINC000257234979 568681353 /nfs/dbraw/zinc/68/13/53/568681353.db2.gz GVVZYWRQNLLMNI-DEOSSOPVSA-N 1 0 449.986 4.301 40 0 IIABRO Cn1nc([C@H]2CN(Cc3ccncc3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 ZINC000257236610 568682256 /nfs/dbraw/zinc/68/22/56/568682256.db2.gz HCYZRXNZCLXBOX-JOCHJYFZSA-N 1 0 446.473 4.029 40 0 IIABRO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257260222 568693239 /nfs/dbraw/zinc/69/32/39/568693239.db2.gz LBVYNMAYTKSSIH-MRXNPFEDSA-N 1 0 445.489 4.458 40 0 IIABRO C[N@H+](CC1CCCCCCC1)C1CCC2(CC1)CN(C(=O)CO)Cc1ccccc1O2 ZINC000257261759 568694185 /nfs/dbraw/zinc/69/41/85/568694185.db2.gz LIRXOGIGPGZEIL-UHFFFAOYSA-N 1 0 428.617 4.374 40 0 IIABRO Cc1nc([C@H]2CC[N@H+](CCc3ccccc3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000257267355 568696409 /nfs/dbraw/zinc/69/64/09/568696409.db2.gz MGXWSCHTFHJGTP-DEOSSOPVSA-N 1 0 440.591 4.339 40 0 IIABRO Cc1nc(Nc2cccc(C3CC[NH+](CC(=O)N4CCC(C)CC4)CC3)n2)sc1C ZINC000257273311 568699037 /nfs/dbraw/zinc/69/90/37/568699037.db2.gz NGBRAFYWXBCYBC-UHFFFAOYSA-N 1 0 427.618 4.336 40 0 IIABRO Cc1ccccc1C[N@@H+]1CC[C@@H](c2nc(C)c(CC(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000257276960 568700910 /nfs/dbraw/zinc/70/09/10/568700910.db2.gz NVWYMRPNGYPJNC-HSZRJFAPSA-N 1 0 446.570 4.389 40 0 IIABRO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(c2cncc(Nc3ccccn3)n2)CC1 ZINC000257280131 568702204 /nfs/dbraw/zinc/70/22/04/568702204.db2.gz OJOWALVGEKRDJV-UHFFFAOYSA-N 1 0 444.583 4.232 40 0 IIABRO Cc1cccc2nc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[NH2+][C@H]4Cc3ccccc3)cn21 ZINC000257288165 568706012 /nfs/dbraw/zinc/70/60/12/568706012.db2.gz PTDASZTWVSRAFH-VPAAKTDSSA-N 1 0 428.580 4.389 40 0 IIABRO Cc1nc2cc([C@H]3CCCN3Cc3ccccc3F)nn2c(C)c1CCC(=O)NC(C)C ZINC000257302870 568712525 /nfs/dbraw/zinc/71/25/25/568712525.db2.gz SESZXYZGAIMOAT-HSZRJFAPSA-N 1 0 437.563 4.280 40 0 IIABRO COc1cccc(OC)c1C[NH+]1CCC(c2cncc(Nc3nc(C)cc(C)n3)n2)CC1 ZINC000257305048 568713533 /nfs/dbraw/zinc/71/35/33/568713533.db2.gz SOFBPXPRCCUNHO-UHFFFAOYSA-N 1 0 434.544 4.024 40 0 IIABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)CCn3ccccc3=O)C2)[nH+]1 ZINC000257305566 568713836 /nfs/dbraw/zinc/71/38/36/568713836.db2.gz SQOIFSLOSIIMRZ-LJQANCHMSA-N 1 0 434.515 4.231 40 0 IIABRO CC(C)Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)n(C)n1 ZINC000257307263 568714411 /nfs/dbraw/zinc/71/44/11/568714411.db2.gz SXXNKUQUZLRQSU-VPYYATKVSA-N 1 0 434.628 4.365 40 0 IIABRO CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000257314416 568717344 /nfs/dbraw/zinc/71/73/44/568717344.db2.gz UWWCHBLLOSRJNC-UHFFFAOYSA-N 1 0 436.625 4.500 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257330565 568724693 /nfs/dbraw/zinc/72/46/93/568724693.db2.gz XOYGGPSZWBEYBW-LJQANCHMSA-N 1 0 433.531 4.188 40 0 IIABRO Cc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)CN4Cc5ccccc5C4=O)C3)c2)cc1 ZINC000257337181 568727417 /nfs/dbraw/zinc/72/74/17/568727417.db2.gz YRTGWPBVBBHWNL-OAQYLSRUSA-N 1 0 440.547 4.414 40 0 IIABRO COc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CCN(Cc4ccccn4)C(=O)C[C@H]23)cc1 ZINC000306124299 568763300 /nfs/dbraw/zinc/76/33/00/568763300.db2.gz BMEVGTMXBBBJPZ-XTEPFMGCSA-N 1 0 441.575 4.425 40 0 IIABRO O=C(Nc1ccccc1)c1nnc2n1CC[C@@H]1C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000306133659 568767888 /nfs/dbraw/zinc/76/78/88/568767888.db2.gz MSJWOUXTXWFIFV-APWZRJJASA-N 1 0 441.457 4.169 40 0 IIABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)n1 ZINC000328978807 568808466 /nfs/dbraw/zinc/80/84/66/568808466.db2.gz GBORIQZYSULQMX-UHFFFAOYSA-N 1 0 447.427 4.343 40 0 IIABRO COCCn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)cc2ccccc21 ZINC000257198529 568921750 /nfs/dbraw/zinc/92/17/50/568921750.db2.gz BKDVITVGXLIYEZ-JTKRFKOTSA-N 1 0 433.596 4.323 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000247917550 569206482 /nfs/dbraw/zinc/20/64/82/569206482.db2.gz BOJYNDITWNBKRV-KDYSTLNUSA-N 1 0 428.580 4.318 40 0 IIABRO O=C(NCc1cccnc1)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063637 569219912 /nfs/dbraw/zinc/21/99/12/569219912.db2.gz HJGKDXYESGDHCN-UHFFFAOYSA-N 1 0 446.526 4.001 40 0 IIABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@H+](Cc3ccc(OC)c(C)c3)C1)O2 ZINC000012235404 569224816 /nfs/dbraw/zinc/22/48/16/569224816.db2.gz IKQAXIIUWAIAGU-QFQXNSOFSA-N 1 0 438.568 4.034 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000019567058 569227088 /nfs/dbraw/zinc/22/70/88/569227088.db2.gz JWXNIWDAPSUJCI-PGRDOPGGSA-N 1 0 443.613 4.420 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(F)c1 ZINC000019551751 569227100 /nfs/dbraw/zinc/22/71/00/569227100.db2.gz CAXKFEMWOMWQSU-NTKDMRAZSA-N 1 0 434.515 4.008 40 0 IIABRO NC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000019702612 569232169 /nfs/dbraw/zinc/23/21/69/569232169.db2.gz CVVCMOWZFHTMNR-GOSISDBHSA-N 1 0 444.560 4.359 40 0 IIABRO Cc1nc([C@]2(O)CCC[N@H+](Cc3ccncc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704897 569233670 /nfs/dbraw/zinc/23/36/70/569233670.db2.gz PQQRYASNSKCZRR-DEOSSOPVSA-N 1 0 441.572 4.481 40 0 IIABRO COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855509 569249285 /nfs/dbraw/zinc/24/92/85/569249285.db2.gz AQNZQDWAZCGMJZ-AVRDEDQJSA-N 1 0 426.532 4.465 40 0 IIABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000109029601 569253389 /nfs/dbraw/zinc/25/33/89/569253389.db2.gz IIIJZPZTLIFJCH-UHFFFAOYSA-N 1 0 430.577 4.232 40 0 IIABRO CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000019700154 569327006 /nfs/dbraw/zinc/32/70/06/569327006.db2.gz MQAWZXVLRIQVQO-UHFFFAOYSA-N 1 0 429.564 4.328 40 0 IIABRO COc1ccccc1CNC(=O)c1cn(C)nc1CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000019756651 569328573 /nfs/dbraw/zinc/32/85/73/569328573.db2.gz VGBLKJQHHKYLNH-UHFFFAOYSA-N 1 0 446.595 4.122 40 0 IIABRO CN(C)C(=O)NC1CCC(CC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)CC1 ZINC000038309313 814363715 /nfs/dbraw/zinc/36/37/15/814363715.db2.gz KPWSJANDNDDRMB-UHFFFAOYSA-N 1 0 427.420 4.336 40 0 in-vitro IIABRO CC1=C[C@@H](C[NH2+]CCN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882765 291380840 /nfs/dbraw/zinc/38/08/40/291380840.db2.gz KTWXSCUPEMTPMJ-HJOGWXRNSA-N 1 0 438.616 4.056 40 0 biogenic,in-vitro IIABRO O=C1[C@@H]2C[C@@H](C[N@H+]2CC2CC2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111958 291386236 /nfs/dbraw/zinc/38/62/36/291386236.db2.gz AZUUKILZPOGMAE-ICSRJNTNSA-N 1 0 432.442 4.364 40 0 biogenic,in-vitro IIABRO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](CCCc2ccccc2)C1)c1cccs1 ZINC000004236235 291385795 /nfs/dbraw/zinc/38/57/95/291385795.db2.gz FNFMLAKIWLQIJL-VQTJNVASSA-N 1 0 433.577 4.214 40 0 biogenic,in-vitro IIABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](C/C(C)=C/c2ccccc2)C3)c(OCC)n1 ZINC000012181074 521611049 /nfs/dbraw/zinc/61/10/49/521611049.db2.gz AYTANAWLCYLAPA-HLTCHCCRSA-N 1 0 437.584 4.297 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NCc1ccccc1 ZINC000012635531 521653389 /nfs/dbraw/zinc/65/33/89/521653389.db2.gz JGBICDYUELOJES-QHCPKHFHSA-N 1 0 448.636 4.198 40 0 IIABRO COc1ccc([C@@H]2C[N@H+](C/C=C\c3ccccc3OC)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000012163481 525256797 /nfs/dbraw/zinc/25/67/97/525256797.db2.gz QFAFNSMZCSIWFQ-YPLDTAFMSA-N 1 0 431.536 4.404 40 0 IIABRO COc1ccc([C@H]2C[C@@H](OC(=O)CCc3ccc(O)cc3)C[C@H]3CCCC[N@@H+]32)cc1O ZINC000003847183 555948431 /nfs/dbraw/zinc/94/84/31/555948431.db2.gz TYTIBYQBVJUCGJ-BAGYTPMASA-N 1 0 425.525 4.340 40 0 IIABRO O=C(COc1ccc(Cl)cc1Br)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015140097 556506139 /nfs/dbraw/zinc/50/61/39/556506139.db2.gz RJMUTJIKBPIAEM-UHFFFAOYSA-N 1 0 437.765 4.394 40 0 IIABRO COc1ccc(OC)c(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC000034257707 556571857 /nfs/dbraw/zinc/57/18/57/556571857.db2.gz JILIKVVEDRWWEM-BJJLKGPWSA-N 1 0 427.614 4.296 40 0 IIABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000019020535 556693362 /nfs/dbraw/zinc/69/33/62/556693362.db2.gz UDRHPNIGGWDEKH-AREMUKBSSA-N 1 0 430.552 4.145 40 0 IIABRO C[C@@H](C(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1)[NH+]1CCCC1 ZINC000019078742 556695492 /nfs/dbraw/zinc/69/54/92/556695492.db2.gz QYNZWUREGWOSCQ-CVDCTZTESA-N 1 0 442.567 4.430 40 0 IIABRO OC1(COc2ccc(C[N@@H+]3CCC[C@@](O)(COc4ccccc4)C3)cc2)CCCCC1 ZINC000257206487 556701908 /nfs/dbraw/zinc/70/19/08/556701908.db2.gz BDROZWSUZJGKSU-SANMLTNESA-N 1 0 425.569 4.167 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@H](Cc2cccc3cnccc32)C1 ZINC000257234593 556709704 /nfs/dbraw/zinc/70/97/04/556709704.db2.gz GUGPJGRMPZKQIT-OAQYLSRUSA-N 1 0 429.564 4.162 40 0 IIABRO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000257280929 556714819 /nfs/dbraw/zinc/71/48/19/556714819.db2.gz OMZHIFRCXCSWCF-HHHXNRCGSA-N 1 0 429.564 4.283 40 0 IIABRO COc1ccc(F)cc1-c1cccc(CC2(C(=O)N[C@H]3CCC[N@H+](C)C3)CCOCC2)c1 ZINC000257283238 556715197 /nfs/dbraw/zinc/71/51/97/556715197.db2.gz OXKNRCGXEMQTHQ-QFIPXVFZSA-N 1 0 440.559 4.051 40 0 IIABRO Cc1ccccc1CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019237085 556721954 /nfs/dbraw/zinc/72/19/54/556721954.db2.gz PTJOSJDZVBFFQI-DEOSSOPVSA-N 1 0 448.611 4.478 40 0 IIABRO O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019293558 556733252 /nfs/dbraw/zinc/73/32/52/556733252.db2.gz SAYQDOLDFAOJKE-JOCHJYFZSA-N 1 0 438.547 4.380 40 0 IIABRO O=C(C1CCCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccs1)CC2 ZINC000019343573 556741400 /nfs/dbraw/zinc/74/14/00/556741400.db2.gz IHSHDMQBWRFRTN-OAQYLSRUSA-N 1 0 440.613 4.024 40 0 IIABRO Oc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000019374125 556750682 /nfs/dbraw/zinc/75/06/82/556750682.db2.gz FYVXUOWXUSIGAV-LOSJGSFVSA-N 1 0 431.532 4.443 40 0 IIABRO COc1cc2c(cc1C[NH2+][C@H](c1cc(=O)n3nc(-c4ccccn4)cc3[nH]1)C(C)C)CCC2 ZINC000019445448 556755976 /nfs/dbraw/zinc/75/59/76/556755976.db2.gz JSACVFWUHQESLC-SANMLTNESA-N 1 0 443.551 4.481 40 0 IIABRO CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3csc4c3CCCC4)[nH]c2=O)C1 ZINC000019448375 556757981 /nfs/dbraw/zinc/75/79/81/556757981.db2.gz QLGGDAOKNFAGQM-HXUWFJFHSA-N 1 0 440.613 4.256 40 0 IIABRO CCOc1ccccc1C(=O)N1CCCC[C@H]2C[N@H+](Cc3c(C)nc4sccn34)C[C@H]21 ZINC000019520107 556775907 /nfs/dbraw/zinc/77/59/07/556775907.db2.gz QLXSNGALTPBDFJ-GHTZIAJQSA-N 1 0 438.597 4.230 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001378310 556795274 /nfs/dbraw/zinc/79/52/74/556795274.db2.gz UMKYGHJTVFXOLK-FQEVSTJZSA-N 1 0 436.531 4.494 40 0 IIABRO COc1ccccc1C[NH+]1CCC([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019570102 556810204 /nfs/dbraw/zinc/81/02/04/556810204.db2.gz XAFQWGFCBGZOKU-HHHXNRCGSA-N 1 0 429.564 4.402 40 0 IIABRO COc1ccccc1C[N@@H+]1CC[C@@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 ZINC000019580400 556818448 /nfs/dbraw/zinc/81/84/48/556818448.db2.gz ACGCITHTBDEAGW-MHZLTWQESA-N 1 0 429.564 4.280 40 0 IIABRO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccc(OC)cc2F)C1 ZINC000019591279 556826476 /nfs/dbraw/zinc/82/64/76/556826476.db2.gz BLNLJHKVBBGNEM-MHZLTWQESA-N 1 0 447.554 4.467 40 0 IIABRO COc1cccc2ccc(C[NH+]3CCC(c4cc(-c5cnc(N)nc5)cc(C)n4)CC3)nc21 ZINC000019692196 556848379 /nfs/dbraw/zinc/84/83/79/556848379.db2.gz ROCMSXZKLQXUCE-UHFFFAOYSA-N 1 0 440.551 4.366 40 0 IIABRO CCn1ncc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c1C ZINC000019695298 556851848 /nfs/dbraw/zinc/85/18/48/556851848.db2.gz WBHRVZGYYQLBFE-UHFFFAOYSA-N 1 0 434.588 4.123 40 0 IIABRO CC[NH+]1CCN(c2cc(NC(=O)c3ccccc3Br)c(Cl)cc2N)CC1 ZINC000072229224 556901437 /nfs/dbraw/zinc/90/14/37/556901437.db2.gz CNGLNSBMGGJRPV-UHFFFAOYSA-N 1 0 437.769 4.079 40 0 IIABRO Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](c2ncc(C(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000019758078 556901935 /nfs/dbraw/zinc/90/19/35/556901935.db2.gz IHNHYNKNDCIGDE-GOSISDBHSA-N 1 0 444.514 4.122 40 0 IIABRO Cn1cc(C(=O)NCc2ccccc2)c(CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000019759130 556902591 /nfs/dbraw/zinc/90/25/91/556902591.db2.gz JFMWKTGLUFRVCW-UHFFFAOYSA-N 1 0 436.987 4.458 40 0 IIABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)c1 ZINC000072330394 556905496 /nfs/dbraw/zinc/90/54/96/556905496.db2.gz PNFINCDYPJJPDZ-CPJSRVTESA-N 1 0 437.584 4.359 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)cc1 ZINC000072330545 556906155 /nfs/dbraw/zinc/90/61/55/556906155.db2.gz BLUMNIDFEGVAGV-RLWLMLJZSA-N 1 0 445.563 4.482 40 0 IIABRO CNc1ncccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000072330516 556906300 /nfs/dbraw/zinc/90/63/00/556906300.db2.gz ZEPZIXAPDGWRED-CVDCTZTESA-N 1 0 433.531 4.041 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000072341427 556913669 /nfs/dbraw/zinc/91/36/69/556913669.db2.gz JWXNIWDAPSUJCI-GCJKJVERSA-N 1 0 443.613 4.420 40 0 IIABRO CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2ccncc2)CC1 ZINC000072345031 556916350 /nfs/dbraw/zinc/91/63/50/556916350.db2.gz HRTGXAMGCMSDJF-UHFFFAOYSA-N 1 0 428.580 4.493 40 0 IIABRO CC(C)[N@@H+]1CC[C@H](CCc2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)[C@H](C)C1 ZINC000072346996 556918021 /nfs/dbraw/zinc/91/80/21/556918021.db2.gz CNVRDTJIEDZNDR-IRLDBZIGSA-N 1 0 446.595 4.334 40 0 IIABRO Cc1nc2cc([C@H]3CCC[N@@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000072351284 556921014 /nfs/dbraw/zinc/92/10/14/556921014.db2.gz UDYHQPIBEFZRHE-GHTZIAJQSA-N 1 0 445.558 4.153 40 0 IIABRO CNc1ncccc1C[N@@H+]1CC[C@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 ZINC000072351973 556923051 /nfs/dbraw/zinc/92/30/51/556923051.db2.gz LSBXLNMLVNLWSX-KRWDZBQOSA-N 1 0 436.947 4.117 40 0 IIABRO CCn1nc(C)c(C[N@@H+]2CC[C@H](c3c4ccccc4sc3C(=O)NCCOC)C2)c1C ZINC000072352300 556923592 /nfs/dbraw/zinc/92/35/92/556923592.db2.gz WNLJDCVCUZOGAX-SFHVURJKSA-N 1 0 440.613 4.100 40 0 IIABRO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC000072352270 556923663 /nfs/dbraw/zinc/92/36/63/556923663.db2.gz ULQNNMLZFPAGRZ-GOSISDBHSA-N 1 0 427.614 4.231 40 0 IIABRO Cc1ncc(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)s1 ZINC000072352333 556923893 /nfs/dbraw/zinc/92/38/93/556923893.db2.gz BJGLNXCBMIDYAH-MRXNPFEDSA-N 1 0 427.595 4.128 40 0 IIABRO CC(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000409055750 556939140 /nfs/dbraw/zinc/93/91/40/556939140.db2.gz AVAIXDPRKMOERJ-SEKQKOPYSA-O 1 0 446.958 4.480 40 0 IIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)COc4ccccc4F)C3)c2)n1 ZINC000072374961 556949745 /nfs/dbraw/zinc/94/97/45/556949745.db2.gz SLDKALQISVUBIA-LJQANCHMSA-N 1 0 449.530 4.465 40 0 IIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc(Nc4ncccn4)cc(C)n3)C1)OCCO2 ZINC000072375039 556950521 /nfs/dbraw/zinc/95/05/21/556950521.db2.gz MLCYNJKNOIMBTA-GOSISDBHSA-N 1 0 447.539 4.083 40 0 IIABRO Cc1nc(C2CC[NH+](Cc3cccnc3)CC2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000072380058 556957248 /nfs/dbraw/zinc/95/72/48/556957248.db2.gz ZPZNFDDHXOBRCZ-UHFFFAOYSA-N 1 0 433.600 4.419 40 0 IIABRO CCOc1cc(CN2C[C@@H](c3cn(C)c4ccc(OC)cc34)[C@H]([NH+](C)C)C2)ccc1OC ZINC000072395540 556967380 /nfs/dbraw/zinc/96/73/80/556967380.db2.gz DDZXUCOPGZTEQQ-LADGPHEKSA-N 1 0 437.584 4.124 40 0 IIABRO O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@@H]21 ZINC000585109736 557041799 /nfs/dbraw/zinc/04/17/99/557041799.db2.gz MZHHQABZXXRARE-WRALFONMSA-N 1 0 426.507 4.168 40 0 IIABRO COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCCC[NH+](C)C)CCCO2)cc1 ZINC000585169110 557132425 /nfs/dbraw/zinc/13/24/25/557132425.db2.gz VWQOVOKFYCYEIS-RUZDIDTESA-N 1 0 428.548 4.051 40 0 IIABRO O=C(COc1ccc(Br)cc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189849 557140020 /nfs/dbraw/zinc/14/00/20/557140020.db2.gz FGENLSWNONKGSR-UHFFFAOYSA-N 1 0 437.765 4.394 40 0 IIABRO O=C(Nc1cccc(Cl)c1)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000096144670 557173099 /nfs/dbraw/zinc/17/30/99/557173099.db2.gz ZXESILFMCGKHKG-NRFANRHFSA-N 1 0 436.943 4.065 40 0 IIABRO Cc1cccc(C[N@@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC(C)C)[C@H]3CC2)c1 ZINC000096145761 557175436 /nfs/dbraw/zinc/17/54/36/557175436.db2.gz AHLRTFWKIXQITQ-VXKWHMMOSA-N 1 0 428.598 4.067 40 0 IIABRO CC(=O)N1CCN(C(=O)c2ccccc2C[NH+]2CCCC2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000585262010 557198472 /nfs/dbraw/zinc/19/84/72/557198472.db2.gz WDCLSJZVEGVKIO-SANMLTNESA-N 1 0 449.595 4.115 40 0 IIABRO Cc1noc(C)c1COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cc(C)cc(C)c3C)C2)cc1 ZINC000585268690 557207401 /nfs/dbraw/zinc/20/74/01/557207401.db2.gz FBZSBLVFXCRPCC-AHWVRZQESA-N 1 0 436.552 4.420 40 0 IIABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3cccc(OCCCn4cccn4)c3)CC2)cc1 ZINC000585272676 557217286 /nfs/dbraw/zinc/21/72/86/557217286.db2.gz VJJYCZIJMXMNMN-MHZLTWQESA-N 1 0 449.595 4.457 40 0 IIABRO C[NH+]1CCN(c2ccc(NC(=O)CSCc3ccc(Br)cc3)cc2)CC1 ZINC000113933117 557379057 /nfs/dbraw/zinc/37/90/57/557379057.db2.gz LANYLGHMVZZCGG-UHFFFAOYSA-N 1 0 434.403 4.073 40 0 IIABRO COc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1OC ZINC000225586445 557747647 /nfs/dbraw/zinc/74/76/47/557747647.db2.gz LMDDPENOBQMYHR-UHFFFAOYSA-N 1 0 448.966 4.457 40 0 IIABRO CCOC(=O)c1cc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)ccc1Cl ZINC000225743781 557771752 /nfs/dbraw/zinc/77/17/52/557771752.db2.gz QIFBBQOJOXVWGX-UHFFFAOYSA-N 1 0 431.989 4.252 40 0 IIABRO O=C(Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1)N1CCCC1 ZINC000225904596 557789908 /nfs/dbraw/zinc/78/99/08/557789908.db2.gz BXEZSHVYHYUDHZ-NRFANRHFSA-N 1 0 439.987 4.356 40 0 IIABRO Cc1ccc(/C=C2/C(=O)N3c4ccccc4[C@]45CC[N@H+]6CC7=CCO[C@@H]2[C@@H]([C@@H]34)[C@@H]7C[C@@H]65)cc1 ZINC000226047103 557802545 /nfs/dbraw/zinc/80/25/45/557802545.db2.gz GFIRKZRNWVSINQ-UZTYWDLOSA-N 1 0 436.555 4.094 40 0 IIABRO C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)C2CCCCC2)C1 ZINC000006137746 560205391 /nfs/dbraw/zinc/20/53/91/560205391.db2.gz PAUQKVNRLVXKRX-SIKLNZKXSA-N 1 0 433.596 4.103 40 0 biogenic,in-vitro IIABRO CC(=O)Nc1ccc(NC(=O)C[N@H+]2C[C@@H]3[C@@H](Cc4ccccc4Cl)CC[C@@H]3C2)cc1 ZINC000257203826 568667070 /nfs/dbraw/zinc/66/70/70/568667070.db2.gz ARUQPSGIGNLLHY-SFGWALBWSA-N 1 0 425.960 4.438 40 0 IIABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(CC(=O)Nc4cc(C)on4)C3)c2)c1 ZINC000257218941 568673776 /nfs/dbraw/zinc/67/37/76/568673776.db2.gz DEYPYWVASNJKFR-GOSISDBHSA-N 1 0 435.528 4.257 40 0 IIABRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257225679 568676858 /nfs/dbraw/zinc/67/68/58/568676858.db2.gz FHHNYKADWKIOFZ-NRFANRHFSA-N 1 0 442.567 4.018 40 0 IIABRO O=C(NCC[C@H]1CCCCN1C(=O)c1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000257227144 568677640 /nfs/dbraw/zinc/67/76/40/568677640.db2.gz FNXMFBKPFZPHPF-XMMPIXPASA-N 1 0 433.596 4.487 40 0 IIABRO COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CC[NH+](Cc4cnc(OC)nc4)CC3)CO[C@H]21 ZINC000257268402 568696889 /nfs/dbraw/zinc/69/68/89/568696889.db2.gz MLNLOWPUJNTJJO-RBBKRZOGSA-N 1 0 439.556 4.025 40 0 IIABRO CC(C)Oc1ccc([C@H]2CN(C(=O)c3cccc(Nc4ncccn4)c3)CCN2C)cc1 ZINC000257270064 568697513 /nfs/dbraw/zinc/69/75/13/568697513.db2.gz MSQKRFMQTLXAQS-HSZRJFAPSA-N 1 0 431.540 4.136 40 0 IIABRO Cc1cc(CC2CCN(C(=O)C3(C)CCN(C(=O)CCc4ccccc4)CC3)CC2)ccn1 ZINC000257269841 568697562 /nfs/dbraw/zinc/69/75/62/568697562.db2.gz MRPIRUZPXKJLNU-UHFFFAOYSA-N 1 0 447.623 4.433 40 0 IIABRO CCn1c(CN2CCO[C@@H](c3cc(Nc4ccccn4)cc(C)n3)C2)nc2ccccc21 ZINC000257271251 568698026 /nfs/dbraw/zinc/69/80/26/568698026.db2.gz MXOBRJIQNAYAKY-HSZRJFAPSA-N 1 0 428.540 4.472 40 0 IIABRO Cc1nc(Nc2cc(C)nc([C@@H]3CN(C(=O)COc4ccccc4)CCO3)c2)sc1C ZINC000257287478 568705608 /nfs/dbraw/zinc/70/56/08/568705608.db2.gz PQDZFZAQPHNLCS-NRFANRHFSA-N 1 0 438.553 4.186 40 0 IIABRO Clc1ccc(O[C@@H]2COC3(C2)CC[NH+](Cc2ccnc(N4CCCCC4)n2)CC3)cc1 ZINC000257294555 568708580 /nfs/dbraw/zinc/70/85/80/568708580.db2.gz QURFIIFXURXBBG-QFIPXVFZSA-N 1 0 442.991 4.323 40 0 IIABRO Cc1nc2ccccc2n1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257294800 568709019 /nfs/dbraw/zinc/70/90/19/568709019.db2.gz QVUHRRYRSJPKIB-AEIUDCSLSA-N 1 0 442.607 4.478 40 0 IIABRO Cc1cc(Nc2cnccn2)cc(C2CCN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)CC2)[nH+]1 ZINC000257334038 568725994 /nfs/dbraw/zinc/72/59/94/568725994.db2.gz YEGNNZNXABLHBT-JOCHJYFZSA-N 1 0 449.942 4.287 40 0 IIABRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257340901 568728965 /nfs/dbraw/zinc/72/89/65/568728965.db2.gz ZHZZTKVSGFUSKG-LJQANCHMSA-N 1 0 434.588 4.150 40 0 IIABRO O=C(c1ccccc1)N1CCC2(CC1)Oc1ccccc1-c1nn(CC[NH+]3CCCC3)cc12 ZINC000306122974 568762323 /nfs/dbraw/zinc/76/23/23/568762323.db2.gz ABEXYHDGVIWTRP-UHFFFAOYSA-N 1 0 442.563 4.170 40 0 IIABRO O=C(Nc1ccccc1)c1nnc2n1CC[C@H]1C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000306133660 568767988 /nfs/dbraw/zinc/76/79/88/568767988.db2.gz MSJWOUXTXWFIFV-LPHOPBHVSA-N 1 0 441.457 4.169 40 0 IIABRO C[C@@H](C(=O)Nc1ccc(CC[C@@H]2CC[N@H+](C)C[C@H]2C)cc1)n1ncc2ccccc2c1=O ZINC000248159032 569207435 /nfs/dbraw/zinc/20/74/35/569207435.db2.gz WSYMNBBJHPQMAU-SVFBPWRDSA-N 1 0 432.568 4.117 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)cc1 ZINC000019555096 569226932 /nfs/dbraw/zinc/22/69/32/569226932.db2.gz BLUMNIDFEGVAGV-QFQXNSOFSA-N 1 0 445.563 4.482 40 0 IIABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019570226 569226966 /nfs/dbraw/zinc/22/69/66/569226966.db2.gz KPSGNWCGUSETNL-YIXXDRMTSA-N 1 0 429.564 4.402 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1OC ZINC000019567748 569227097 /nfs/dbraw/zinc/22/70/97/569227097.db2.gz FJRRBMMJYXDOIQ-GHTZIAJQSA-N 1 0 443.613 4.420 40 0 IIABRO Cc1ccc(C[N@@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)cc1C ZINC000019702614 569232166 /nfs/dbraw/zinc/23/21/66/569232166.db2.gz FEDIDYVDMYQVEP-HXUWFJFHSA-N 1 0 435.593 4.375 40 0 IIABRO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](c3ccc4c(NCc5ccccc5)n[nH]c4n3)C2)CC1 ZINC000019705134 569233966 /nfs/dbraw/zinc/23/39/66/569233966.db2.gz WSNURJZVKBOBRX-OAQYLSRUSA-N 1 0 446.599 4.006 40 0 IIABRO COc1ccc2c(c1)C=C(C[N@@H+]1[C@H](Cc3ccccc3)C[C@@H]3NC(=O)CCCC[C@H]31)CO2 ZINC000019713885 569235731 /nfs/dbraw/zinc/23/57/31/569235731.db2.gz UAOROPNWOBGPFJ-PZUNEJSGSA-N 1 0 432.564 4.215 40 0 IIABRO COc1ccccc1NC(=O)c1cnc([C@H]2CC[N@H+](Cc3ccc(C)cc3OC)C2)nc1C ZINC000019766095 569239159 /nfs/dbraw/zinc/23/91/59/569239159.db2.gz SNBYJGDFKORUTQ-FQEVSTJZSA-N 1 0 446.551 4.352 40 0 IIABRO O=C1CCCN1c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2F)cc1 ZINC000019713784 569327826 /nfs/dbraw/zinc/32/78/26/569327826.db2.gz FHAZXGZPHGLUML-RPBOFIJWSA-N 1 0 449.570 4.498 40 0 IIABRO COc1ccccc1NC(=O)c1ccc(C2CC[NH+](CCc3ccccc3)CC2)nc1N ZINC000019766310 569328998 /nfs/dbraw/zinc/32/89/98/569328998.db2.gz JCUQJICLGHLVCH-UHFFFAOYSA-N 1 0 430.552 4.347 40 0 IIABRO Cc1cc(OC(F)(F)F)ccc1Nc1cc(C(F)(F)F)nc(NCCC[NH+](C)C)n1 ZINC000328955140 569584057 /nfs/dbraw/zinc/58/40/57/569584057.db2.gz AAHXAUSIKRPRQC-UHFFFAOYSA-N 1 0 437.388 4.810 40 0 IIABRO CC[NH+](CC)CCCNC(=S)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000006193241 193889928 /nfs/dbraw/zinc/88/99/28/193889928.db2.gz SDVHUVMVDZAETH-UHFFFAOYSA-N 1 0 440.613 4.038 40 0 IIABRO CC1=C[C@@H](C[N@H+](C)CCO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 ZINC000035442679 520881167 /nfs/dbraw/zinc/88/11/67/520881167.db2.gz FLGFRJIKVGUPLG-FUDKSRODSA-N 1 0 426.605 4.124 40 0 biogenic,in-vitro IIABRO CCOc1ccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCCC3)cc1 ZINC000022408035 521251235 /nfs/dbraw/zinc/25/12/35/521251235.db2.gz LTTWYKAMTWXLSW-QFIPXVFZSA-N 1 0 430.366 4.498 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000012705855 521652966 /nfs/dbraw/zinc/65/29/66/521652966.db2.gz WNLDVXDNYWQOFM-QHCPKHFHSA-N 1 0 438.616 4.474 40 0 IIABRO COc1ccc([C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000022440925 525205587 /nfs/dbraw/zinc/20/55/87/525205587.db2.gz PIKMDZDCXCAPEF-DEOSSOPVSA-N 1 0 432.564 4.144 40 0 investigational IIABRO COc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000012707220 525477698 /nfs/dbraw/zinc/47/76/98/525477698.db2.gz RQWXFKYKVIZTTO-UHFFFAOYSA-N 1 0 442.947 4.176 40 0 IIABRO COc1ccc2cc(CN(CCC[NH+](C)C)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000012707865 525625152 /nfs/dbraw/zinc/62/51/52/525625152.db2.gz VTIAANXAKARGDZ-UHFFFAOYSA-N 1 0 442.947 4.176 40 0 IIABRO Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccc(F)cc3)nn2C)cc1 ZINC000012602103 526183338 /nfs/dbraw/zinc/18/33/38/526183338.db2.gz HPJMFFJNBQMKGD-WWNPGLIZSA-N 1 0 432.543 4.142 40 0 biogenic,in-vitro IIABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 ZINC000408576188 555926631 /nfs/dbraw/zinc/92/66/31/555926631.db2.gz VQABOAXKPUXWJY-VMPITWQZSA-N 1 0 448.350 4.184 40 0 IIABRO O=C(NCc1ccccc1)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039757641 556441392 /nfs/dbraw/zinc/44/13/92/556441392.db2.gz NEFVHWDVRQRBQM-UHFFFAOYSA-N 1 0 427.548 4.467 40 0 IIABRO COC(=O)c1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000034829118 556583147 /nfs/dbraw/zinc/58/31/47/556583147.db2.gz QTTNILQMGIGUOB-YVNJGZBMSA-N 1 0 425.598 4.065 40 0 IIABRO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000038857186 556625714 /nfs/dbraw/zinc/62/57/14/556625714.db2.gz JYNPBSKIFDBRPP-HXUWFJFHSA-N 1 0 429.967 4.348 40 0 IIABRO COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855507 556671687 /nfs/dbraw/zinc/67/16/87/556671687.db2.gz AQNZQDWAZCGMJZ-GCJKJVERSA-N 1 0 426.532 4.465 40 0 IIABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856978 556672912 /nfs/dbraw/zinc/67/29/12/556672912.db2.gz REUIKDYWPCMVDE-JOCHJYFZSA-N 1 0 449.016 4.223 40 0 IIABRO CCc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(Br)c1 ZINC000044872453 556673377 /nfs/dbraw/zinc/67/33/77/556673377.db2.gz DJZYVCGUFWLKNG-UHFFFAOYSA-N 1 0 431.374 4.303 40 0 IIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000019021156 556693570 /nfs/dbraw/zinc/69/35/70/556693570.db2.gz POMHGIWZYJXBAH-UHFFFAOYSA-N 1 0 433.527 4.427 40 0 IIABRO C[C@H](C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1)[NH+]1CCCC1 ZINC000019078732 556695509 /nfs/dbraw/zinc/69/55/09/556695509.db2.gz QYNZWUREGWOSCQ-AUSIDOKSSA-N 1 0 442.567 4.430 40 0 IIABRO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CO2 ZINC000019081778 556696423 /nfs/dbraw/zinc/69/64/23/556696423.db2.gz HREILENEUGTJQZ-NBGIEHNGSA-N 1 0 449.595 4.482 40 0 IIABRO COc1ccc(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c(OC)c1 ZINC000019082042 556697048 /nfs/dbraw/zinc/69/70/48/556697048.db2.gz CDDMFQHBESFGSV-HSZRJFAPSA-N 1 0 425.573 4.214 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(Cc2cccc(-c3cccc(OC)c3)c2)CCOCC1 ZINC000257323344 556704478 /nfs/dbraw/zinc/70/44/78/556704478.db2.gz WJTURLHADOUUQM-XMMPIXPASA-N 1 0 436.596 4.302 40 0 IIABRO COC1(COc2ccc(C)cc2C)CC[NH+](CC(=O)NC(C)(C)Cc2ccccc2)CC1 ZINC000257325500 556704796 /nfs/dbraw/zinc/70/47/96/556704796.db2.gz WTEAMJKVBXLSKG-UHFFFAOYSA-N 1 0 438.612 4.301 40 0 IIABRO Cc1ccn(CCCOc2ccc(C[N@@H+]3CCC[C@](O)(COc4ccccc4)C3)cc2)n1 ZINC000257229305 556709000 /nfs/dbraw/zinc/70/90/00/556709000.db2.gz FXOSWYZSNRBUBA-AREMUKBSSA-N 1 0 435.568 4.067 40 0 IIABRO COc1ccc(OC)c(C[NH+]2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)c1 ZINC000257299900 556717151 /nfs/dbraw/zinc/71/71/51/556717151.db2.gz RSCLDFDLRCDQEP-UHFFFAOYSA-N 1 0 445.563 4.076 40 0 IIABRO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000019236205 556720728 /nfs/dbraw/zinc/72/07/28/556720728.db2.gz TZFTVNCSJOVSCL-NLFFAJNJSA-N 1 0 430.552 4.177 40 0 IIABRO O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019370219 556747456 /nfs/dbraw/zinc/74/74/56/556747456.db2.gz RACWTOWUZKAZOW-QHCPKHFHSA-N 1 0 434.584 4.169 40 0 IIABRO O=C(c1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019400286 556752893 /nfs/dbraw/zinc/75/28/93/556752893.db2.gz QQGMRGZBONHIIC-LSQMVHIFSA-N 1 0 433.502 4.490 40 0 IIABRO COc1cc2c(cc1C[NH2+][C@@H](c1cc(=O)n3nc(-c4ccccn4)cc3[nH]1)C(C)C)CCC2 ZINC000019445450 556755913 /nfs/dbraw/zinc/75/59/13/556755913.db2.gz JSACVFWUHQESLC-AREMUKBSSA-N 1 0 443.551 4.481 40 0 IIABRO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019447336 556756618 /nfs/dbraw/zinc/75/66/18/556756618.db2.gz SRYJXBZCLKBVJP-MHZLTWQESA-N 1 0 428.580 4.351 40 0 IIABRO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019447334 556756715 /nfs/dbraw/zinc/75/67/15/556756715.db2.gz SRYJXBZCLKBVJP-HHHXNRCGSA-N 1 0 428.580 4.351 40 0 IIABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000001327627 556773146 /nfs/dbraw/zinc/77/31/46/556773146.db2.gz VHRZHEJPYJGVAU-UHFFFAOYSA-N 1 0 442.947 4.176 40 0 IIABRO CCCN1CC[N@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502831 556773957 /nfs/dbraw/zinc/77/39/57/556773957.db2.gz XNHNQQNKVIPPOO-RUZDIDTESA-N 1 0 428.580 4.365 40 0 IIABRO CCOc1ncc(C2(O)CC[NH+](Cc3oc4ccc(C)cc4c3C)CC2)c(OCC)n1 ZINC000019531705 556792254 /nfs/dbraw/zinc/79/22/54/556792254.db2.gz CLPBKURQSDVNGX-UHFFFAOYSA-N 1 0 425.529 4.121 40 0 IIABRO CCOc1ccc(C[N@@H+]2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cc1OC ZINC000019533727 556793506 /nfs/dbraw/zinc/79/35/06/556793506.db2.gz AWUGXADCSKFDOY-INIZCTEOSA-N 1 0 434.462 4.453 40 0 IIABRO O=C(N[C@@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccs1 ZINC000002137508 556799100 /nfs/dbraw/zinc/79/91/00/556799100.db2.gz RVESFUQJOGLCIX-IOASZLSFSA-N 1 0 425.809 4.455 40 0 IIABRO COc1cccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)CCCCC(=O)N3)c1OC1CCCC1 ZINC000019568170 556808212 /nfs/dbraw/zinc/80/82/12/556808212.db2.gz RTPKOERAPSICRB-WNCULLNHSA-N 1 0 449.595 4.440 40 0 IIABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1OC ZINC000019585263 556822419 /nfs/dbraw/zinc/82/24/19/556822419.db2.gz YWXPYBRUCHAHJO-OAQYLSRUSA-N 1 0 433.556 4.349 40 0 IIABRO Cc1cc2cc(CN(CC[NH+](C)C)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2cc1C ZINC000006320701 556832749 /nfs/dbraw/zinc/83/27/49/556832749.db2.gz WCPZJYRKGGNHPW-IBGZPJMESA-N 1 0 436.625 4.144 40 0 IIABRO COc1cc(C[NH2+]C2CCCCC2)ccc1OCC(=O)NC(=O)c1ccc(C)c(Cl)c1 ZINC000019642608 556837871 /nfs/dbraw/zinc/83/78/71/556837871.db2.gz MWDQIADTAWMBPM-UHFFFAOYSA-N 1 0 444.959 4.415 40 0 IIABRO CC1CC[NH+](CCC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)CC1 ZINC000019690033 556845237 /nfs/dbraw/zinc/84/52/37/556845237.db2.gz NHISHZVHBZGHJB-QFIPXVFZSA-N 1 0 439.579 4.134 40 0 IIABRO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3ccc(Cc4cccc(OC)c4)cn3)C2)cn1 ZINC000019690233 556845673 /nfs/dbraw/zinc/84/56/73/556845673.db2.gz NDZUEMMVDGXDKU-HSZRJFAPSA-N 1 0 432.568 4.040 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695799 556852727 /nfs/dbraw/zinc/85/27/27/556852727.db2.gz NWUKRZBEGDHGKF-NRFANRHFSA-N 1 0 445.542 4.178 40 0 IIABRO Cc1nnc2n1C[C@@H](c1cccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)c1)CC2 ZINC000019698214 556856295 /nfs/dbraw/zinc/85/62/95/556856295.db2.gz XTHPAXLEIUPHRJ-QHCPKHFHSA-N 1 0 435.616 4.235 40 0 IIABRO COc1ccc(-c2nc(C3CC[NH+](C)CC3)[nH]c2C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 ZINC000019698723 556857830 /nfs/dbraw/zinc/85/78/30/556857830.db2.gz BYINLOHPNPNOOY-QGZVFWFLSA-N 1 0 448.567 4.394 40 0 IIABRO O=C(NCCCc1ccc(F)cc1)c1ccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019752767 556896318 /nfs/dbraw/zinc/89/63/18/556896318.db2.gz ZHSBDNMKWRDOCD-QFIPXVFZSA-N 1 0 432.543 4.358 40 0 IIABRO CC(C)CNC(=O)c1cc([C@@H]2CC[N@H+](Cc3cccnc3N(C)C)C2)nc2ccccc21 ZINC000019761837 556905594 /nfs/dbraw/zinc/90/55/94/556905594.db2.gz DAFFFHJXRKHREF-LJQANCHMSA-N 1 0 431.584 4.071 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1OC ZINC000072341429 556913597 /nfs/dbraw/zinc/91/35/97/556913597.db2.gz FJRRBMMJYXDOIQ-NQIIRXRSSA-N 1 0 443.613 4.420 40 0 IIABRO CCc1ncc(C[N@@H+]2CCC[C@H](c3nc(N)ncc3-c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000072346224 556917804 /nfs/dbraw/zinc/91/78/04/556917804.db2.gz WVYCPXFQOBEZIU-KRWDZBQOSA-N 1 0 442.489 4.477 40 0 IIABRO COc1cc(C(=O)Nc2ccc(CC[C@H]3CC[N@H+](C)C[C@H]3C)cc2)cc(OC)c1OC ZINC000072346995 556918039 /nfs/dbraw/zinc/91/80/39/556918039.db2.gz RLMMNYBLPACGEX-MJGOQNOKSA-N 1 0 426.557 4.485 40 0 IIABRO CC(C)[N@@H+]1CC[C@H](CCc2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)[C@@H](C)C1 ZINC000072346997 556918064 /nfs/dbraw/zinc/91/80/64/556918064.db2.gz CNVRDTJIEDZNDR-UNMCSNQZSA-N 1 0 446.595 4.334 40 0 IIABRO Cc1ncc(C[N@@H+]2CC[C@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)s1 ZINC000072352332 556923858 /nfs/dbraw/zinc/92/38/58/556923858.db2.gz BJGLNXCBMIDYAH-INIZCTEOSA-N 1 0 427.595 4.128 40 0 IIABRO C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000072352570 556924454 /nfs/dbraw/zinc/92/44/54/556924454.db2.gz QUYKWECGYXBSHK-IBGZPJMESA-N 1 0 430.577 4.479 40 0 IIABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409052364 556933659 /nfs/dbraw/zinc/93/36/59/556933659.db2.gz CXTCGSKHXTYMDV-PUOSSFLQSA-O 1 0 440.567 4.443 40 0 IIABRO CCn1c(C[N@@H+]2CC[C@H](c3cc(CCOc4ccc(OC)cc4)n[nH]3)C2)nc2ccccc21 ZINC000072371455 556938615 /nfs/dbraw/zinc/93/86/15/556938615.db2.gz GFBHRCKDOQMRGZ-IBGZPJMESA-N 1 0 445.567 4.399 40 0 IIABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409062688 556940086 /nfs/dbraw/zinc/94/00/86/556940086.db2.gz YYJDLZMSWSMPLA-IQUGWNQFSA-O 1 0 439.322 4.010 40 0 IIABRO COc1ccc(NC(=O)CN2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)cc1 ZINC000072372482 556942919 /nfs/dbraw/zinc/94/29/19/556942919.db2.gz VEZKJZZQZHHKRK-QHCPKHFHSA-N 1 0 446.555 4.325 40 0 IIABRO CC[NH+]1CCC(CC(=O)N2CCC[C@@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)CC1 ZINC000072372734 556944172 /nfs/dbraw/zinc/94/41/72/556944172.db2.gz WXSRMCFLNDWOQF-HSZRJFAPSA-N 1 0 436.604 4.326 40 0 IIABRO Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000072374711 556948852 /nfs/dbraw/zinc/94/88/52/556948852.db2.gz GJYGUVGESJZNCJ-HXUWFJFHSA-N 1 0 433.600 4.217 40 0 IIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)COc4ccccc4)C3)c2)n1 ZINC000072374880 556949395 /nfs/dbraw/zinc/94/93/95/556949395.db2.gz MTDBTLFZQAUWRT-FQEVSTJZSA-N 1 0 431.540 4.325 40 0 IIABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)COc3c(C)cccc3C)C2)[nH+]1 ZINC000072375000 556950108 /nfs/dbraw/zinc/95/01/08/556950108.db2.gz BYDIYULBSKPCNZ-HXUWFJFHSA-N 1 0 431.540 4.325 40 0 IIABRO COCc1ccc(OC)c(C[N@@H+]2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 ZINC000072389768 556959809 /nfs/dbraw/zinc/95/98/09/556959809.db2.gz IMGHBSPUVOLNHC-MRXNPFEDSA-N 1 0 434.462 4.201 40 0 IIABRO O=C(C1CC[NH+](Cc2ccccn2)CC1)N1CCc2nc(-c3cccc(F)c3)sc2C1 ZINC000072392006 556962747 /nfs/dbraw/zinc/96/27/47/556962747.db2.gz IWWLVCVYQQIEGJ-UHFFFAOYSA-N 1 0 436.556 4.141 40 0 IIABRO O=C(NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1)c1n[nH]c2c1CCCC2 ZINC000072393386 556964348 /nfs/dbraw/zinc/96/43/48/556964348.db2.gz QIHCJIPVOSTYGD-UHFFFAOYSA-N 1 0 426.992 4.258 40 0 IIABRO CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2cnc(C)n2C)C1 ZINC000072394072 556965633 /nfs/dbraw/zinc/96/56/33/556965633.db2.gz DZHMNSVQUMSABO-VWLOTQADSA-N 1 0 436.556 4.080 40 0 IIABRO Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)C3)c(-c3ccncc3)c2c1 ZINC000072396798 556969683 /nfs/dbraw/zinc/96/96/83/556969683.db2.gz QFFSHVZPXSHDER-RBBKRZOGSA-N 1 0 446.595 4.213 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(C)c1C ZINC000072398664 556970171 /nfs/dbraw/zinc/97/01/71/556970171.db2.gz XKQSCTLRMDHXOT-NVQXNPDNSA-N 1 0 444.579 4.485 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1OC ZINC000072398587 556970200 /nfs/dbraw/zinc/97/02/00/556970200.db2.gz ZJQDQLLDDBJSPI-AVRDEDQJSA-N 1 0 425.573 4.214 40 0 IIABRO CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000257290754 556999549 /nfs/dbraw/zinc/99/95/49/556999549.db2.gz QEEUTTDEIRXVJW-IYARVYRRSA-N 1 0 427.614 4.135 40 0 IIABRO O=C(Cc1cccc(F)c1)N1CCC2(CC1)C[N@H+](Cc1ccncc1)Cc1ccccc12 ZINC000585105719 557037473 /nfs/dbraw/zinc/03/74/73/557037473.db2.gz CJRMFMXKEZITBF-UHFFFAOYSA-N 1 0 429.539 4.339 40 0 IIABRO CC[NH+](CC)CCCNC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000006193130 557148168 /nfs/dbraw/zinc/14/81/68/557148168.db2.gz DTYVZGMIINFKBR-UHFFFAOYSA-N 1 0 442.673 4.496 40 0 IIABRO COc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCC3)cc2)cc1Br ZINC000006297080 557150760 /nfs/dbraw/zinc/15/07/60/557150760.db2.gz WDDYRYXZNVVQIQ-UHFFFAOYSA-N 1 0 448.386 4.180 40 0 IIABRO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2C)c1 ZINC000010112039 557204346 /nfs/dbraw/zinc/20/43/46/557204346.db2.gz LUJGQKYWEVKXNJ-UHFFFAOYSA-N 1 0 443.613 4.018 40 0 IIABRO Cc1nccn1CCCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585271508 557213316 /nfs/dbraw/zinc/21/33/16/557213316.db2.gz AILSDGDDCFMRTN-AREMUKBSSA-N 1 0 435.568 4.067 40 0 IIABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3cccc(OCCn4ccnc4)c3)CC2)cc1 ZINC000585270394 557214307 /nfs/dbraw/zinc/21/43/07/557214307.db2.gz CHRLZKUZDUBACY-AREMUKBSSA-N 1 0 435.568 4.067 40 0 IIABRO Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H](C)[NH+]3CCCCC3)CC2)on1 ZINC000100743664 557274251 /nfs/dbraw/zinc/27/42/51/557274251.db2.gz JKSWEGKGHUOSFD-YSIASYRMSA-N 1 0 425.577 4.013 40 0 IIABRO Fc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022929895 557274306 /nfs/dbraw/zinc/27/43/06/557274306.db2.gz KCUJPNVTTYCCAU-VWLOTQADSA-N 1 0 448.590 4.095 40 0 IIABRO COc1ccc(CCC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](Cc3ccccn3)C2)cc1 ZINC000072353549 557387136 /nfs/dbraw/zinc/38/71/36/557387136.db2.gz NBKJNVWBNRUFAV-VWLOTQADSA-N 1 0 443.591 4.226 40 0 IIABRO COc1ccc(CCC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](Cc3ccccn3)C2)cc1 ZINC000072353550 557387462 /nfs/dbraw/zinc/38/74/62/557387462.db2.gz NBKJNVWBNRUFAV-RUZDIDTESA-N 1 0 443.591 4.226 40 0 IIABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1Cc1ccco1 ZINC000223217068 557447190 /nfs/dbraw/zinc/44/71/90/557447190.db2.gz FOLRCOLWRMHTJE-XZOQPEGZSA-N 1 0 437.613 4.065 40 0 IIABRO Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000224081972 557557891 /nfs/dbraw/zinc/55/78/91/557557891.db2.gz YPVGXUABKAUGOV-PYCFMQQDSA-N 1 0 425.598 4.210 40 0 IIABRO CC[C@@H]1c2ccc(OC)c3c2[C@]24CC[N@@H+](C)[C@H]1[C@]21C=C[C@@](OC)([C@@H](C(C)(C)O)C1)[C@]4(C)O3 ZINC000253504107 560037825 /nfs/dbraw/zinc/03/78/25/560037825.db2.gz CQJSMSATJDJBEL-LRRPSTFASA-N 1 0 439.596 4.028 40 0 biogenic,in-vitro IIABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)Cc4cn5ccsc5n4)C3)c2)cc1 ZINC000257213976 568671743 /nfs/dbraw/zinc/67/17/43/568671743.db2.gz CJXLFUFERBBKJP-QGZVFWFLSA-N 1 0 447.564 4.410 40 0 IIABRO C[N@H+](CCC(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1)Cc1ccccn1 ZINC000257234980 568681627 /nfs/dbraw/zinc/68/16/27/568681627.db2.gz GVVZYWRQNLLMNI-XMMPIXPASA-N 1 0 449.986 4.301 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257243309 568685223 /nfs/dbraw/zinc/68/52/23/568685223.db2.gz IGHXUMIMRSTAPJ-HXUWFJFHSA-N 1 0 433.531 4.188 40 0 IIABRO CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)CC[NH+]4CCC(C)CC4)C3)n2)s1 ZINC000257250910 568689226 /nfs/dbraw/zinc/68/92/26/568689226.db2.gz JONLHNOHSWXSIH-GOSISDBHSA-N 1 0 442.633 4.067 40 0 IIABRO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)OC(C)(C)C ZINC000257274932 568699905 /nfs/dbraw/zinc/69/99/05/568699905.db2.gz NNGMWMSWTQQLNV-YJMBLLCNSA-N 1 0 446.975 4.246 40 0 IIABRO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc(C)c(CC(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000257276961 568700677 /nfs/dbraw/zinc/70/06/77/568700677.db2.gz NVWYMRPNGYPJNC-QHCPKHFHSA-N 1 0 446.570 4.389 40 0 IIABRO Cc1cc(CCCC(=O)N2CCO[C@H](c3cccc(-c4ccc(N)nc4)n3)C2)ccc1F ZINC000257318298 568719278 /nfs/dbraw/zinc/71/92/78/568719278.db2.gz VNGVGRJWECFNFL-QHCPKHFHSA-N 1 0 434.515 4.096 40 0 IIABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)N3CCC(F)(F)CC3)[NH2+][C@H]2c2cccc(F)c2)n1 ZINC000257336521 568727094 /nfs/dbraw/zinc/72/70/94/568727094.db2.gz YOVHLMFRSHXXJH-HOJAQTOUSA-N 1 0 434.506 4.222 40 0 IIABRO Cc1ccc(-c2ccc(/C=C(/NC(=O)c3ccccc3)C(=O)N3CCC[N@@H+](C)CC3)o2)cc1 ZINC000261526995 568735323 /nfs/dbraw/zinc/73/53/23/568735323.db2.gz UHBCIVBFVQQTFS-LYBHJNIJSA-N 1 0 443.547 4.190 40 0 IIABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cccc(F)c3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306130847 568766344 /nfs/dbraw/zinc/76/63/44/568766344.db2.gz JRBQZPIJVRJBOH-ZEQKJWHPSA-N 1 0 447.558 4.016 40 0 IIABRO Cc1cccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC000306137247 568769885 /nfs/dbraw/zinc/76/98/85/568769885.db2.gz QQMHUOLHBNWISE-RPLLCQBOSA-N 1 0 443.595 4.186 40 0 IIABRO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@@]2(C1)Nc1ccccc1-n1cccc12 ZINC000057719671 568909065 /nfs/dbraw/zinc/90/90/65/568909065.db2.gz JQJPSFJSKBHQQH-MHZLTWQESA-N 1 0 440.547 4.270 40 0 IIABRO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@H]43)[nH]n2)cc1 ZINC000257199216 568921925 /nfs/dbraw/zinc/92/19/25/568921925.db2.gz WQOVXVNCVDVXHF-QDPPLXMDSA-N 1 0 432.568 4.121 40 0 IIABRO C[C@H]1CC[C@@H]2[N@@H+](C[C@@H]3[C@@H]4C[C@H]5[C@@H](CC(=O)[C@H]6CC(=O)CC[C@]56C)[C@@H]4CC[C@@H]3[C@]2(C)O)C1 ZINC000252694033 569210949 /nfs/dbraw/zinc/21/09/49/569210949.db2.gz HIDAYMRWVVNXAO-LISOPRLISA-N 1 0 427.629 4.095 40 0 biogenic IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(F)c1 ZINC000019551753 569226923 /nfs/dbraw/zinc/22/69/23/569226923.db2.gz CAXKFEMWOMWQSU-YADARESESA-N 1 0 434.515 4.008 40 0 IIABRO Cc1ccc(-c2cc(C[C@@]3(C(=O)NCC(C)C)CCC[N@@H+]3Cc3cccnc3)on2)cc1 ZINC000019696503 569229813 /nfs/dbraw/zinc/22/98/13/569229813.db2.gz YCVNSOJTPSUIGT-AREMUKBSSA-N 1 0 432.568 4.395 40 0 IIABRO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000019702575 569232256 /nfs/dbraw/zinc/23/22/56/569232256.db2.gz BQJZVJUGCSHFTP-KRWDZBQOSA-N 1 0 448.592 4.154 40 0 IIABRO CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CC[N@H+](CCOc2ccccc2F)C1 ZINC000019739221 569236589 /nfs/dbraw/zinc/23/65/89/569236589.db2.gz QFZYONAYMCHQRD-RUZDIDTESA-N 1 0 443.563 4.263 40 0 IIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ncc(C(=O)N4CCCCC4)c(C)n3)C1)CCC2 ZINC000019763141 569237895 /nfs/dbraw/zinc/23/78/95/569237895.db2.gz SAMZNSVFAOZLED-JOCHJYFZSA-N 1 0 448.611 4.288 40 0 IIABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044855651 569249263 /nfs/dbraw/zinc/24/92/63/569249263.db2.gz WHBQLHPYLZUFDU-AVRDEDQJSA-N 1 0 426.532 4.465 40 0 IIABRO COc1cc2c(cc1C[N@@H+]1CC[C@H]3[C@H]1CCCCC(=O)N3Cc1ccccc1)OCCO2 ZINC000019713834 569327811 /nfs/dbraw/zinc/32/78/11/569327811.db2.gz LOKJBSHVSKFHHL-YADHBBJMSA-N 1 0 436.552 4.012 40 0 IIABRO CC1=C[C@@H](C[NH+]2CCC(C(N)=O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882854 291380306 /nfs/dbraw/zinc/38/03/06/291380306.db2.gz UNBXAWJAUSOPET-VABKMULXSA-N 1 0 436.600 4.331 40 0 biogenic,in-vitro IIABRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3cc(Br)ccc3OC)cc2)CC1 ZINC000010000104 132333581 /nfs/dbraw/zinc/33/35/81/132333581.db2.gz VJRRZHMQQPQTLH-NYYWCZLTSA-N 1 0 444.373 4.252 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1OC ZINC000012711141 520645890 /nfs/dbraw/zinc/64/58/90/520645890.db2.gz XMFMXALYKOXDTR-UHFFFAOYSA-N 1 0 436.556 4.221 40 0 IIABRO CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCN(c4ncccn4)CC3)C=C2C)o1 ZINC000035442706 521558286 /nfs/dbraw/zinc/55/82/86/521558286.db2.gz NWKLHQWDOMXUHM-FKBYEOEOSA-N 1 0 438.620 4.031 40 0 biogenic,in-vitro IIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000012707770 521653613 /nfs/dbraw/zinc/65/36/13/521653613.db2.gz NCEJIGNVRHEXSQ-NRFANRHFSA-N 1 0 434.540 4.055 40 0 IIABRO COc1cc(C[N@@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)cc(OC)c1OC ZINC000012122569 522406303 /nfs/dbraw/zinc/40/63/03/522406303.db2.gz WUDKBBSPYWFFSN-UHFFFAOYSA-N 1 0 427.541 4.028 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3onc4c3C[C@@H](C)CC4)C2)cc1CN1CCOCC1 ZINC000036718934 524030297 /nfs/dbraw/zinc/03/02/97/524030297.db2.gz DZIGMEBTHRYYKN-FPOVZHCZSA-N 1 0 439.600 4.020 40 0 IIABRO C[C@H](C[N@@H+]1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000036734684 524341066 /nfs/dbraw/zinc/34/10/66/524341066.db2.gz CWEQXDYGNOMOSU-IRLDBZIGSA-N 1 0 430.600 4.460 40 0 IIABRO C[C@@H](C[N@@H+]1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000036734681 524616575 /nfs/dbraw/zinc/61/65/75/524616575.db2.gz CWEQXDYGNOMOSU-UNMCSNQZSA-N 1 0 430.600 4.460 40 0 IIABRO COc1ccc(NC(=[NH2+])Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)c(OC)c1 ZINC000009935196 556318579 /nfs/dbraw/zinc/31/85/79/556318579.db2.gz YVCCTDCTISEZJO-UHFFFAOYSA-N 1 0 445.932 4.192 40 0 IIABRO O[C@H](Cn1c2ccccc2c2cc(I)ccc21)C[NH+]1CCCCC1 ZINC000028464513 556455080 /nfs/dbraw/zinc/45/50/80/556455080.db2.gz JYGTZYWOEGGFAJ-INIZCTEOSA-N 1 0 434.321 4.246 40 0 IIABRO Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2Cl)n1CCC[NH+](C)C ZINC000013512283 556510556 /nfs/dbraw/zinc/51/05/56/556510556.db2.gz KAOGHXZSDYTGKA-UHFFFAOYSA-N 1 0 433.965 4.182 40 0 IIABRO COc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855508 556671615 /nfs/dbraw/zinc/67/16/15/556671615.db2.gz AQNZQDWAZCGMJZ-XMSQKQJNSA-N 1 0 426.532 4.465 40 0 IIABRO Cc1ccc(OCC2(O)CC[NH+](Cc3ccc(OCCCn4cccn4)cc3)CC2)c(C)c1 ZINC000257213840 556702619 /nfs/dbraw/zinc/70/26/19/556702619.db2.gz CJHIQLONPRMUAN-UHFFFAOYSA-N 1 0 449.595 4.375 40 0 IIABRO CC(C)CN1C[C@@]2(CCN(C(=O)C[NH+](C)C)[C@@H](c3ccccc3)C2)N(c2ccccc2)C1=O ZINC000257217617 556703147 /nfs/dbraw/zinc/70/31/47/556703147.db2.gz CZTIIVDDSXOQCE-SQHAQQRYSA-N 1 0 448.611 4.249 40 0 IIABRO Cc1cc2c(cc1C[NH+]1CCC(O)(Cn3cccc4cc(C(F)(F)F)nc3-4)CC1)OCO2 ZINC000019125510 556703266 /nfs/dbraw/zinc/70/32/66/556703266.db2.gz LSVMXFDIPNNMIP-UHFFFAOYSA-N 1 0 447.457 4.071 40 0 IIABRO Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC[NH+](CCOc3ccccc3F)CC1)N2 ZINC000019128991 556704094 /nfs/dbraw/zinc/70/40/94/556704094.db2.gz HLAKSLXCUACHJR-PKOBYXMFSA-N 1 0 426.458 4.409 40 0 IIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133424 556705028 /nfs/dbraw/zinc/70/50/28/556705028.db2.gz ACLNHLSHFOFFLO-FQEVSTJZSA-N 1 0 446.599 4.174 40 0 IIABRO Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)cc1 ZINC000019135455 556706093 /nfs/dbraw/zinc/70/60/93/556706093.db2.gz VWVQCGNSMJRCQH-QHCPKHFHSA-N 1 0 434.584 4.137 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCCC1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257247944 556711300 /nfs/dbraw/zinc/71/13/00/556711300.db2.gz JBFXCRONTXOMHU-QHCPKHFHSA-N 1 0 447.558 4.498 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 ZINC000257251365 556711709 /nfs/dbraw/zinc/71/17/09/556711709.db2.gz JQLKXSGUOPCWRT-HSZRJFAPSA-N 1 0 436.596 4.302 40 0 IIABRO Cc1cc(C)n(CCCOc2cccc(C[N@@H+]3CCC[C@](O)(COc4ccccc4)C3)c2)n1 ZINC000257274907 556714118 /nfs/dbraw/zinc/71/41/18/556714118.db2.gz NNDZAZIZGFRPHF-HHHXNRCGSA-N 1 0 449.595 4.375 40 0 IIABRO Cc1cccc(C[N@H+]2CCC[C@](Cc3ccccc3-c3ccncc3)(C(=O)N(C)C)C2)n1 ZINC000019236196 556720868 /nfs/dbraw/zinc/72/08/68/556720868.db2.gz PUEWOZPLLHODST-HHHXNRCGSA-N 1 0 428.580 4.365 40 0 IIABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCC[N@H+](Cc2cnc(N)nc2)C1 ZINC000019448955 556759094 /nfs/dbraw/zinc/75/90/94/556759094.db2.gz UNHQNBJLJUQOEC-RUZDIDTESA-N 1 0 449.624 4.137 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3onc4c3C[C@H](C)CC4)C2)cc1CN1CCOCC1 ZINC000019497162 556769344 /nfs/dbraw/zinc/76/93/44/556769344.db2.gz DZIGMEBTHRYYKN-CTNGQTDRSA-N 1 0 439.600 4.020 40 0 IIABRO CCCN1CC[N@H+](Cc2cccc(C)n2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502938 556774137 /nfs/dbraw/zinc/77/41/37/556774137.db2.gz KLANHJJNTBESTA-VWLOTQADSA-N 1 0 428.580 4.365 40 0 IIABRO CCCN1CC[N@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503269 556774759 /nfs/dbraw/zinc/77/47/59/556774759.db2.gz AZWRFZIDTMEYTA-XMMPIXPASA-N 1 0 428.580 4.365 40 0 IIABRO CCc1cc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(OC)cc2)C[N@@H+]3Cc2ccccc2)no1 ZINC000019522665 556779997 /nfs/dbraw/zinc/77/99/97/556779997.db2.gz HLKYRMWVSSXKMX-DGWZTRNLSA-N 1 0 445.563 4.376 40 0 IIABRO CCn1cc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)c2ccccc21 ZINC000019524768 556782133 /nfs/dbraw/zinc/78/21/33/556782133.db2.gz ZRUNMDXZNHPDSO-BJKOFHAPSA-N 1 0 436.552 4.054 40 0 IIABRO CCCc1ccc(C[NH+]2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)s1 ZINC000019525487 556782899 /nfs/dbraw/zinc/78/28/99/556782899.db2.gz NXQULBLNYLXAOX-UHFFFAOYSA-N 1 0 431.627 4.116 40 0 IIABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000019562196 556803556 /nfs/dbraw/zinc/80/35/56/556803556.db2.gz OEIARFRPPRTDFJ-PMACEKPBSA-N 1 0 438.351 4.386 40 0 IIABRO COc1cccc(C[N@@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c1OC1CCCC1 ZINC000019568167 556808180 /nfs/dbraw/zinc/80/81/80/556808180.db2.gz VWFJDFGIDFDFET-WXVAWEFUSA-N 1 0 449.595 4.440 40 0 IIABRO CCn1ccnc1C[N@@H+]1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 ZINC000019578065 556815775 /nfs/dbraw/zinc/81/57/75/556815775.db2.gz IXFCMCXOVZQYIQ-MHZLTWQESA-N 1 0 445.611 4.315 40 0 IIABRO Cc1ccc(NCc2nnc(SCC[NH+]3CCCCC3)n2C[C@@H]2CCCO2)c(C)c1 ZINC000004092235 556819489 /nfs/dbraw/zinc/81/94/89/556819489.db2.gz RGUXFBZVCUBYKU-FQEVSTJZSA-N 1 0 429.634 4.264 40 0 IIABRO Cc1cc2cc(CN(CC[NH+](C)C)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1C ZINC000004231217 556820495 /nfs/dbraw/zinc/82/04/95/556820495.db2.gz CSJMRBARPPAWBG-UHFFFAOYSA-N 1 0 426.948 4.394 40 0 IIABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3cccc(Cl)c3)cc12 ZINC000004231247 556820531 /nfs/dbraw/zinc/82/05/31/556820531.db2.gz BMQJXNHWEOAZIU-UHFFFAOYSA-N 1 0 426.948 4.394 40 0 IIABRO COCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000019592998 556829107 /nfs/dbraw/zinc/82/91/07/556829107.db2.gz DOBTWHIAGIMREV-RPLLCQBOSA-N 1 0 429.564 4.465 40 0 IIABRO COCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000019592995 556829176 /nfs/dbraw/zinc/82/91/76/556829176.db2.gz DOBTWHIAGIMREV-SQHAQQRYSA-N 1 0 429.564 4.465 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1OC ZINC000008582817 556842277 /nfs/dbraw/zinc/84/22/77/556842277.db2.gz ROJUKTZSZZWFME-NRFANRHFSA-N 1 0 448.567 4.364 40 0 IIABRO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@@H+]2Cc2cn(CCCO)c3ccccc23)n1 ZINC000019690815 556846514 /nfs/dbraw/zinc/84/65/14/556846514.db2.gz CJSKBRZYVNJBOU-VWLOTQADSA-N 1 0 442.567 4.103 40 0 IIABRO CCn1ncc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)c1C ZINC000019694353 556850346 /nfs/dbraw/zinc/85/03/46/556850346.db2.gz KHSXUARHYSHNGF-HSZRJFAPSA-N 1 0 434.588 4.470 40 0 IIABRO COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000008971247 556852235 /nfs/dbraw/zinc/85/22/35/556852235.db2.gz PPNMCXKNCCYTNP-LYHRCORUSA-N 1 0 427.932 4.077 40 0 IIABRO Cc1nc(C2CC[NH+](Cc3ccccn3)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019703742 556862101 /nfs/dbraw/zinc/86/21/01/556862101.db2.gz LZLVZEGCIYLUFR-UHFFFAOYSA-N 1 0 445.542 4.178 40 0 IIABRO Cc1nc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019739271 556877188 /nfs/dbraw/zinc/87/71/88/556877188.db2.gz GLQMODCFQMSUET-FQEVSTJZSA-N 1 0 431.584 4.195 40 0 IIABRO COc1cccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@@H+](C5CCCC5)C4)nc32)c1 ZINC000019741446 556883691 /nfs/dbraw/zinc/88/36/91/556883691.db2.gz GRROJTYLIPJRPO-HXUWFJFHSA-N 1 0 434.584 4.395 40 0 IIABRO C[NH+]1CCC(Nc2n[nH]c3nc([C@H]4CCCN(C(=O)CC5CCCCC5)C4)ccc23)CC1 ZINC000019742918 556887133 /nfs/dbraw/zinc/88/71/33/556887133.db2.gz CLTSZRVXUUHTHN-IBGZPJMESA-N 1 0 438.620 4.140 40 0 IIABRO CNc1ncccc1C[NH+]1CCC(Cc2cc(NCc3cccc(OC)c3)nc(C)n2)CC1 ZINC000019758926 556902534 /nfs/dbraw/zinc/90/25/34/556902534.db2.gz TVAKVXFVLPHXBO-UHFFFAOYSA-N 1 0 446.599 4.297 40 0 IIABRO Cc1cc(-c2cnn(C)c2)cc([C@H]2CCCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000072353728 556927989 /nfs/dbraw/zinc/92/79/89/556927989.db2.gz XPXCTWKSFAUNLF-FQEVSTJZSA-N 1 0 435.616 4.364 40 0 IIABRO CC(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000409052964 556931021 /nfs/dbraw/zinc/93/10/21/556931021.db2.gz FRIUJCARQMGPMM-SEKQKOPYSA-O 1 0 446.958 4.480 40 0 IIABRO C[NH+]1CCC(C(=O)N2CCC(c3cncc(-c4cccc(C(F)(F)F)c4)n3)CC2)CC1 ZINC000072359852 556933170 /nfs/dbraw/zinc/93/31/70/556933170.db2.gz ROMSNUOUFAKDQP-UHFFFAOYSA-N 1 0 432.490 4.210 40 0 IIABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409052363 556933684 /nfs/dbraw/zinc/93/36/84/556933684.db2.gz CXTCGSKHXTYMDV-NTZHMZQUSA-O 1 0 440.567 4.443 40 0 IIABRO CC(C)C(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCC[NH+](C)C ZINC000072370635 556935682 /nfs/dbraw/zinc/93/56/82/556935682.db2.gz KJIFLXDBMKOWQV-GOSISDBHSA-N 1 0 429.630 4.162 40 0 IIABRO CC(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409055744 556938815 /nfs/dbraw/zinc/93/88/15/556938815.db2.gz AVAIXDPRKMOERJ-CCFRHWNESA-O 1 0 446.958 4.480 40 0 IIABRO CC(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409055746 556938816 /nfs/dbraw/zinc/93/88/16/556938816.db2.gz AVAIXDPRKMOERJ-GXTRAYHQSA-O 1 0 446.958 4.480 40 0 IIABRO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](c3cc(CCOc4ccccc4F)n[nH]3)C1)CO2 ZINC000072371497 556939135 /nfs/dbraw/zinc/93/91/35/556939135.db2.gz BXCFZGCZCZXQMS-IBGZPJMESA-N 1 0 449.526 4.444 40 0 IIABRO Cc1c(C[N@@H+]2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cnn1C ZINC000072371463 556939279 /nfs/dbraw/zinc/93/92/79/556939279.db2.gz FRUJQFNJRFTBAA-INIZCTEOSA-N 1 0 433.478 4.081 40 0 IIABRO CC[NH+]1CCC(CC(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)CC1 ZINC000072372735 556944303 /nfs/dbraw/zinc/94/43/03/556944303.db2.gz WXSRMCFLNDWOQF-QHCPKHFHSA-N 1 0 436.604 4.326 40 0 IIABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCc1ccccc1[C@H]2NC(=O)C(C)C ZINC000072373144 556945431 /nfs/dbraw/zinc/94/54/31/556945431.db2.gz NDQNERDUFDHKSZ-SKVJQKLOSA-N 1 0 447.623 4.089 40 0 IIABRO Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)c1 ZINC000409073780 556946765 /nfs/dbraw/zinc/94/67/65/556946765.db2.gz SZUNWUSQLNRCPF-YZJHEVQWSA-O 1 0 426.540 4.135 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc(Nc4ncccn4)cc(C)n3)C2)cc1CO ZINC000072375050 556950302 /nfs/dbraw/zinc/95/03/02/556950302.db2.gz WNMAPWFQOCEXBU-HXUWFJFHSA-N 1 0 433.556 4.194 40 0 IIABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)CCN(C)c3ccccc3F)C2)[nH+]1 ZINC000072375073 556950793 /nfs/dbraw/zinc/95/07/93/556950793.db2.gz RCCDETZJHHLRPI-LJQANCHMSA-N 1 0 448.546 4.295 40 0 IIABRO OCCCn1cc(C[N@@H+]2CCC[C@@H]2c2cncc(Nc3ccccn3)n2)c2ccccc21 ZINC000072376425 556954650 /nfs/dbraw/zinc/95/46/50/556954650.db2.gz HKDZDHKYZMFACD-HSZRJFAPSA-N 1 0 428.540 4.289 40 0 IIABRO C[NH+](C)CCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)C1CCC1 ZINC000072380169 556957891 /nfs/dbraw/zinc/95/78/91/556957891.db2.gz CVWGSKCCKKCRTJ-LJQANCHMSA-N 1 0 441.641 4.307 40 0 IIABRO CCOC(=O)Cn1c(Cl)c(C[N@@H+]2C[C@H](c3ccccc3)C3(CCCC3)C2)sc1=O ZINC000072389698 556959688 /nfs/dbraw/zinc/95/96/88/556959688.db2.gz YHFHJHLYYJIOKS-QGZVFWFLSA-N 1 0 434.989 4.286 40 0 IIABRO Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)C3)c(-c3ccncc3)c2c1 ZINC000072396799 556969660 /nfs/dbraw/zinc/96/96/60/556969660.db2.gz QFFSHVZPXSHDER-UNMCSNQZSA-N 1 0 446.595 4.213 40 0 IIABRO CC(C)[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC000585107520 557038587 /nfs/dbraw/zinc/03/85/87/557038587.db2.gz YTGVWKPQEBGNLT-MHZLTWQESA-N 1 0 446.570 4.474 40 0 IIABRO CCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000585166475 557128068 /nfs/dbraw/zinc/12/80/68/557128068.db2.gz VBSIBQOOUFLGJZ-UHFFFAOYSA-N 1 0 434.559 4.187 40 0 IIABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)N[C@@H](C)c3ccccc3)cc2c1 ZINC000006197723 557149480 /nfs/dbraw/zinc/14/94/80/557149480.db2.gz KGHOWJSKRZNSRR-SFHVURJKSA-N 1 0 436.625 4.090 40 0 IIABRO CC(C)CN1CC2(CC[NH+](Cc3ccsc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037152 557164199 /nfs/dbraw/zinc/16/41/99/557164199.db2.gz ODHLMFUYSMWCDN-UHFFFAOYSA-N 1 0 434.627 4.070 40 0 IIABRO CC[N@@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)c3cccc(Cl)c3)CC[C@@H]12 ZINC000096145309 557174689 /nfs/dbraw/zinc/17/46/89/557174689.db2.gz WBOJOJCZFFRUCT-ZJSXRUAMSA-N 1 0 425.960 4.295 40 0 IIABRO COc1cccc(-c2ccc3cc(C(=O)N4CC[C@@H]([NH+](C)C)C4)c(-c4cocn4)n3c2)c1 ZINC000096155540 557180117 /nfs/dbraw/zinc/18/01/17/557180117.db2.gz UWJVFRRHJRZAMW-HXUWFJFHSA-N 1 0 430.508 4.046 40 0 IIABRO O=C1CCC[C@]2(C[N@@H+](Cc3cccc(Oc4ncccn4)c3)C[C@H]2c2cccc(F)c2)N1 ZINC000585261695 557195821 /nfs/dbraw/zinc/19/58/21/557195821.db2.gz NGXILZHXEMZJKS-WIOPSUGQSA-N 1 0 432.499 4.046 40 0 IIABRO O=C(Cc1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000096319721 557199512 /nfs/dbraw/zinc/19/95/12/557199512.db2.gz RPGBCZRZMBQLPM-OAQYLSRUSA-N 1 0 440.613 4.231 40 0 IIABRO COc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)n2)c1 ZINC000219236532 557232450 /nfs/dbraw/zinc/23/24/50/557232450.db2.gz YQKOCMIAWLBCKK-UHFFFAOYSA-N 1 0 434.540 4.249 40 0 IIABRO Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C[NH+]3CCCCC3)CC2)on1 ZINC000100743817 557274588 /nfs/dbraw/zinc/27/45/88/557274588.db2.gz PPFAJOAUNVEOJV-BGYRXZFFSA-N 1 0 439.604 4.439 40 0 IIABRO CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222601609 557359668 /nfs/dbraw/zinc/35/96/68/557359668.db2.gz LVBRYGDRIFYLAV-GOSISDBHSA-N 1 0 442.922 4.400 40 0 IIABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC1)O2 ZINC000013998270 557402959 /nfs/dbraw/zinc/40/29/59/557402959.db2.gz GDGZINJWZUMYRA-SFTDATJTSA-N 1 0 446.385 4.450 40 0 IIABRO O=C(Cc1ccccc1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014271796 557431034 /nfs/dbraw/zinc/43/10/34/557431034.db2.gz FGKADNITUJYPQE-UHFFFAOYSA-N 1 0 444.604 4.065 40 0 IIABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223217756 557447147 /nfs/dbraw/zinc/44/71/47/557447147.db2.gz VRGZSOXOLKYZSR-FGZHOGPDSA-N 1 0 440.016 4.450 40 0 IIABRO CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1 ZINC000223238260 557449777 /nfs/dbraw/zinc/44/97/77/557449777.db2.gz PTMFFBSAEZUESR-RPWUZVMVSA-N 1 0 449.624 4.195 40 0 IIABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223259797 557452063 /nfs/dbraw/zinc/45/20/63/557452063.db2.gz UDTVWTLFUASAKS-LEWJYISDSA-N 1 0 425.989 4.060 40 0 IIABRO CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)o2)cc1 ZINC000223284160 557455510 /nfs/dbraw/zinc/45/55/10/557455510.db2.gz VDWYZRIQFQOKPM-PKTZIBPZSA-N 1 0 436.581 4.274 40 0 IIABRO Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000223334199 557460014 /nfs/dbraw/zinc/46/00/14/557460014.db2.gz VFWKGFKITIHYEK-PYCFMQQDSA-N 1 0 425.598 4.210 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCCN(Cc3ccc(F)cc3)C2)[N@H+](C)C1 ZINC000019587535 557501240 /nfs/dbraw/zinc/50/12/40/557501240.db2.gz PRHIXVSQKXXKFU-TXTKFYIRSA-N 1 0 425.548 4.005 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCCN(Cc3cccc(F)c3F)C2)[N@H+](C)C1 ZINC000019587547 557501287 /nfs/dbraw/zinc/50/12/87/557501287.db2.gz VXNUDOAHEVKNRV-SFGWALBWSA-N 1 0 443.538 4.144 40 0 IIABRO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1c1ccc2c(c1)OCO2 ZINC000224004089 557542408 /nfs/dbraw/zinc/54/24/08/557542408.db2.gz FXQRKMYAAHNTRC-XZOQPEGZSA-N 1 0 441.516 4.173 40 0 IIABRO COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)c1 ZINC000224523006 557616236 /nfs/dbraw/zinc/61/62/36/557616236.db2.gz POGNZQSENPDLBH-XZOQPEGZSA-N 1 0 427.533 4.453 40 0 IIABRO COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000224558166 557623153 /nfs/dbraw/zinc/62/31/53/557623153.db2.gz KORPZQHNZNBUHJ-PKTZIBPZSA-N 1 0 427.533 4.453 40 0 IIABRO O=C(c1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1)N1CCCCC1 ZINC000225744172 557772025 /nfs/dbraw/zinc/77/20/25/557772025.db2.gz YWNKYDWYVWWDQR-UHFFFAOYSA-N 1 0 436.625 4.048 40 0 IIABRO COc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000225903770 557790043 /nfs/dbraw/zinc/79/00/43/557790043.db2.gz GDKHAYXRDCCTHU-IBGZPJMESA-N 1 0 446.975 4.236 40 0 IIABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)CC1 ZINC000059294048 557819445 /nfs/dbraw/zinc/81/94/45/557819445.db2.gz ZCPYCQXRRDSRKX-WYMLVPIESA-N 1 0 446.576 4.225 40 0 IIABRO Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3ccc(OCc4nccn4C)cc3)CC2)c(C)c1 ZINC000585270585 568617236 /nfs/dbraw/zinc/61/72/36/568617236.db2.gz MTDMNJXWCWMNSR-MHZLTWQESA-N 1 0 449.595 4.412 40 0 IIABRO Cc1cccc(Nc2cccc([C@@H]3CN(C(=O)CC4=CC(C)(C)[NH2+]C(C)(C)C4)CCO3)n2)n1 ZINC000257200082 568665008 /nfs/dbraw/zinc/66/50/08/568665008.db2.gz ABXHSEMQMPMKEU-NRFANRHFSA-N 1 0 449.599 4.296 40 0 IIABRO COc1cccc(-c2cccc(C[N@@H+]3CCC[C@](C(=O)N(C)C)(c4ccccn4)C3)c2)c1 ZINC000257205915 568667877 /nfs/dbraw/zinc/66/78/77/568667877.db2.gz BBBDSRWRMYSOGN-HHHXNRCGSA-N 1 0 429.564 4.379 40 0 IIABRO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)CC1 ZINC000257207526 568668442 /nfs/dbraw/zinc/66/84/42/568668442.db2.gz BIDMOUZWAIEOAB-YEEPMTPTSA-N 1 0 442.644 4.200 40 0 IIABRO CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4cn(C)cn4)CC3)CO[C@H]21 ZINC000257210988 568670004 /nfs/dbraw/zinc/67/00/04/568670004.db2.gz BWZORSGZSASTBX-RBBKRZOGSA-N 1 0 425.573 4.350 40 0 IIABRO COc1ccccc1-c1cccc(C[N@@H+]2CCOC[C@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257228151 568678212 /nfs/dbraw/zinc/67/82/12/568678212.db2.gz FSOCIMKXMRZDKX-OAQYLSRUSA-N 1 0 428.536 4.096 40 0 IIABRO COc1ccccc1S(=O)(=O)N1CCC(c2cc(Nc3ccccn3)cc(C)[nH+]2)CC1 ZINC000257229219 568678504 /nfs/dbraw/zinc/67/85/04/568678504.db2.gz FXGGQIOWIOSAJC-UHFFFAOYSA-N 1 0 438.553 4.106 40 0 IIABRO Cc1nc([C@H]2CC[N@H+](CCc3ccccc3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000257231879 568679723 /nfs/dbraw/zinc/67/97/23/568679723.db2.gz GINRNJRBKNYHLY-QFIPXVFZSA-N 1 0 444.554 4.436 40 0 IIABRO COc1cccc(CNC(=O)Cc2c(C)nc([C@H]3CC[N@H+](C[C@@H]4CC=CCC4)C3)nc2C)c1 ZINC000257233307 568680843 /nfs/dbraw/zinc/68/08/43/568680843.db2.gz GOROOYLGGDRCNH-GGAORHGYSA-N 1 0 448.611 4.107 40 0 IIABRO COc1ccccc1-c1cccc(CC2(C(=O)N[C@@H](C)C[NH+]3CCCC3)CCOCC2)c1 ZINC000257242027 568684638 /nfs/dbraw/zinc/68/46/38/568684638.db2.gz IASSMHWLQLETSP-NRFANRHFSA-N 1 0 436.596 4.302 40 0 IIABRO Cn1cc(-c2cc(C(=O)N3[C@H](c4ccccc4)C[C@]4(C)[NH2+]CCCCC[C@H]34)ccn2)cn1 ZINC000257257897 568692246 /nfs/dbraw/zinc/69/22/46/568692246.db2.gz KROCWLNCFSKDLG-GNKBHMEESA-N 1 0 429.568 4.360 40 0 IIABRO CN(C)c1ncccc1C[N@@H+]1CC[C@H](c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257260221 568693250 /nfs/dbraw/zinc/69/32/50/568693250.db2.gz LBVYNMAYTKSSIH-INIZCTEOSA-N 1 0 445.489 4.458 40 0 IIABRO CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000257266518 568696115 /nfs/dbraw/zinc/69/61/15/568696115.db2.gz MDIMSMIMWUVECV-NLMMERCGSA-N 1 0 449.614 4.390 40 0 IIABRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)N(C)C)C2)cc1CO ZINC000257267381 568696514 /nfs/dbraw/zinc/69/65/14/568696514.db2.gz MHBFWTSGUNEMOL-GOSISDBHSA-N 1 0 438.593 4.484 40 0 IIABRO Cc1nc2cc([C@@H]3CCC[N@@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257293005 568708205 /nfs/dbraw/zinc/70/82/05/568708205.db2.gz QNTZVGKVUYRKCU-URXFXBBRSA-N 1 0 435.616 4.298 40 0 IIABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4cn5cccnc5n4)C3)c2)cc1 ZINC000257340399 568728643 /nfs/dbraw/zinc/72/86/43/568728643.db2.gz ZFWGDNVEULPXBD-SFHVURJKSA-N 1 0 442.523 4.205 40 0 IIABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2cccs2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306125527 568763942 /nfs/dbraw/zinc/76/39/42/568763942.db2.gz CTGAFVREQUGTKI-WIOPSUGQSA-N 1 0 449.624 4.329 40 0 IIABRO Cc1ccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)c(Br)c1 ZINC000329007183 568809048 /nfs/dbraw/zinc/80/90/48/568809048.db2.gz LIFDBTNKLFDTNL-UHFFFAOYSA-N 1 0 440.389 4.166 40 0 IIABRO Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000329046104 568810371 /nfs/dbraw/zinc/81/03/71/568810371.db2.gz UAADSZAUHIJKGM-UHFFFAOYSA-N 1 0 440.389 4.084 40 0 IIABRO CC[NH+]1CCN(Cc2ccc3oc(-c4cccc(I)c4)nc3c2)CC1 ZINC000216839659 568862667 /nfs/dbraw/zinc/86/26/67/568862667.db2.gz DHUAPKKRAQDDOI-UHFFFAOYSA-N 1 0 447.320 4.237 40 0 IIABRO COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1Br ZINC000224954944 569182434 /nfs/dbraw/zinc/18/24/34/569182434.db2.gz KSFMLDZQPLGHPU-UHFFFAOYSA-N 1 0 425.348 4.249 40 0 IIABRO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000019702129 569231760 /nfs/dbraw/zinc/23/17/60/569231760.db2.gz WQEHPWCRDYPHRW-GOSISDBHSA-N 1 0 446.576 4.210 40 0 IIABRO CNc1cc(CC2CC[NH+](Cc3ccc(OC)c(Cc4c(C)n[nH]c4C)c3)CC2)nc(C)n1 ZINC000019758932 569237465 /nfs/dbraw/zinc/23/74/65/569237465.db2.gz YTSXPWAPJVAWKI-UHFFFAOYSA-N 1 0 448.615 4.221 40 0 IIABRO COc1ccc(C[N@@H+]2[C@H](Cc3ccccc3F)C[C@@H]3NC(=O)CCCC[C@H]32)c(OC)c1 ZINC000019713871 569327741 /nfs/dbraw/zinc/32/77/41/569327741.db2.gz MKURFLDEJZABHJ-WTIAFYNJSA-N 1 0 426.532 4.087 40 0 IIABRO COCCOc1cccc(C[N@@H+]2[C@H](Cc3ccccc3F)C[C@@H]3NC(=O)CCCC[C@H]32)c1 ZINC000019713899 569327749 /nfs/dbraw/zinc/32/77/49/569327749.db2.gz XRBBSIWXBGLJKS-IEZKXTBUSA-N 1 0 440.559 4.095 40 0 IIABRO COc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(C3CCCCC3)nn2C)cc1 ZINC000012602043 291383203 /nfs/dbraw/zinc/38/32/03/291383203.db2.gz KKAZIKASZHKBKA-XJUOHMSHSA-N 1 0 436.600 4.084 40 0 biogenic,in-vitro IIABRO CCOc1ccc(N2C[C@@](O)(c3ccc(Br)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408697 521042984 /nfs/dbraw/zinc/04/29/84/521042984.db2.gz FOJLYDANSNMIHY-JOCHJYFZSA-N 1 0 430.366 4.498 40 0 IIABRO O=C(C[NH+]1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1)N1CCCC1 ZINC000072348790 526730461 /nfs/dbraw/zinc/73/04/61/526730461.db2.gz LRCQAIBLTHWMQP-UHFFFAOYSA-N 1 0 431.502 4.493 40 0 IIABRO CCOc1cc(CNCCC[NH2+]C)cc(Br)c1OCc1ccccc1F ZINC000008254135 556155002 /nfs/dbraw/zinc/15/50/02/556155002.db2.gz NCYFBVBOVQNVJX-UHFFFAOYSA-N 1 0 425.342 4.265 40 0 IIABRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000030939262 556515892 /nfs/dbraw/zinc/51/58/92/556515892.db2.gz OPLZCLLIYJDASL-LJQANCHMSA-N 1 0 443.613 4.201 40 0 IIABRO O=C(COc1ccc(Br)cc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032463091 556537821 /nfs/dbraw/zinc/53/78/21/556537821.db2.gz CFMQMECYJRCACU-UHFFFAOYSA-N 1 0 437.765 4.394 40 0 IIABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857019 556672795 /nfs/dbraw/zinc/67/27/95/556672795.db2.gz IHVMDGUGBFYKRG-QHCPKHFHSA-N 1 0 428.598 4.347 40 0 IIABRO CC[C@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856979 556672939 /nfs/dbraw/zinc/67/29/39/556672939.db2.gz AANBERVWZWRWII-QFIPXVFZSA-N 1 0 449.016 4.223 40 0 IIABRO Cc1cc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1Br ZINC000044874923 556673941 /nfs/dbraw/zinc/67/39/41/556673941.db2.gz IJLJQMJSQIAKQC-UHFFFAOYSA-N 1 0 431.374 4.439 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019081819 556696366 /nfs/dbraw/zinc/69/63/66/556696366.db2.gz VJDMTAOEFWWAEZ-FDDCHVKYSA-N 1 0 425.573 4.214 40 0 IIABRO COc1cc(C[NH+]2CCC(c3nc(C)cc(-c4nccs4)n3)CC2)cc(OC)c1OC ZINC000019118650 556700642 /nfs/dbraw/zinc/70/06/42/556700642.db2.gz MXLOGGWGAXBCPA-UHFFFAOYSA-N 1 0 440.569 4.314 40 0 IIABRO Cc1cc2c(cc1C)OC1(C=C2)CC[NH+](C[C@H](O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000019125184 556702883 /nfs/dbraw/zinc/70/28/83/556702883.db2.gz GGFNRKNOTBEMNR-DEOSSOPVSA-N 1 0 432.564 4.404 40 0 IIABRO CCOc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000257214464 556703019 /nfs/dbraw/zinc/70/30/19/556703019.db2.gz CMCNUZPGJTZYLC-NRFANRHFSA-N 1 0 440.540 4.141 40 0 IIABRO COc1ccccc1-c1cccc(CC2(C(=O)NCC3CC[NH+](C)CC3)CCOCC2)c1 ZINC000257316308 556703763 /nfs/dbraw/zinc/70/37/63/556703763.db2.gz VEZYWZAGAUNBSO-UHFFFAOYSA-N 1 0 436.596 4.160 40 0 IIABRO Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](CC2CCCCC2)C3)cc1 ZINC000019135279 556705769 /nfs/dbraw/zinc/70/57/69/556705769.db2.gz PDOUARSCKROCAJ-HSZRJFAPSA-N 1 0 434.584 4.406 40 0 IIABRO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000257246100 556711032 /nfs/dbraw/zinc/71/10/32/556711032.db2.gz ISMRDVWGOLDBSU-HHHXNRCGSA-N 1 0 447.554 4.422 40 0 IIABRO O=C1C[C@H](c2ccc(Cl)cc2)[C@@H]2[C@@H](CCC[C@@H]2[NH2+]CCCO)N1CCc1ccccc1 ZINC000257288248 556716059 /nfs/dbraw/zinc/71/60/59/556716059.db2.gz PTMXYBLERNLJKW-TWZJLLKVSA-N 1 0 441.015 4.408 40 0 IIABRO CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000257292663 556716392 /nfs/dbraw/zinc/71/63/92/556716392.db2.gz QMMKZGNXGBUEMY-UHFFFAOYSA-N 1 0 430.596 4.438 40 0 IIABRO Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)c1 ZINC000019234425 556718521 /nfs/dbraw/zinc/71/85/21/556718521.db2.gz SZLZEYSEEMKUDA-QFIPXVFZSA-N 1 0 448.592 4.066 40 0 IIABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019235965 556720441 /nfs/dbraw/zinc/72/04/41/556720441.db2.gz DEOLHNUHWQAPSQ-FQEVSTJZSA-N 1 0 446.599 4.174 40 0 IIABRO Cc1cccc([C@@H]2C[N@H+](Cc3cccc(Oc4ncccn4)c3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236387 556721151 /nfs/dbraw/zinc/72/11/51/556721151.db2.gz UDALEUACACBGQB-BKMJKUGQSA-N 1 0 443.551 4.001 40 0 IIABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(OCc3ccc(F)cc3)c1)C2 ZINC000019291400 556731455 /nfs/dbraw/zinc/73/14/55/556731455.db2.gz CPTXMUBWVOBOOK-KMXBQNHCSA-N 1 0 435.543 4.258 40 0 IIABRO O=C(N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2)c1ccccn1)C1CCC1 ZINC000019400900 556753463 /nfs/dbraw/zinc/75/34/63/556753463.db2.gz VQJVJDVXNVGRDF-JTHBVZDNSA-N 1 0 435.568 4.255 40 0 IIABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019448945 556758978 /nfs/dbraw/zinc/75/89/78/556758978.db2.gz CPMWWRPCKVZWEL-MHZLTWQESA-N 1 0 428.580 4.493 40 0 IIABRO CCCC(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000019501288 556772959 /nfs/dbraw/zinc/77/29/59/556772959.db2.gz QEKXAHKJVUPOPD-OAQYLSRUSA-N 1 0 428.621 4.448 40 0 IIABRO CCCN1CC[N@H+](Cc2cccc(C)n2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503344 556774999 /nfs/dbraw/zinc/77/49/99/556774999.db2.gz DLXOOVCHRAONAN-DEOSSOPVSA-N 1 0 428.580 4.365 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001353337 556781416 /nfs/dbraw/zinc/78/14/16/556781416.db2.gz OWEGFGSWWQMUBW-JOCHJYFZSA-N 1 0 436.531 4.494 40 0 IIABRO CCN1CC[N@H+](Cc2cccc(OC)c2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527757 556787424 /nfs/dbraw/zinc/78/74/24/556787424.db2.gz MMHXYBAXDHILFD-DEOSSOPVSA-N 1 0 429.564 4.280 40 0 IIABRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cc1OC ZINC000019533725 556793635 /nfs/dbraw/zinc/79/36/35/556793635.db2.gz AWUGXADCSKFDOY-MRXNPFEDSA-N 1 0 434.462 4.453 40 0 IIABRO Cc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1C ZINC000001380588 556796598 /nfs/dbraw/zinc/79/65/98/556796598.db2.gz YTUZQYOLWRFPSD-UHFFFAOYSA-N 1 0 431.462 4.343 40 0 IIABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)Cc4ccc(O)cc4)CC3)CCCCC2)cc1 ZINC000019553828 556797449 /nfs/dbraw/zinc/79/74/49/556797449.db2.gz OEVDDJMLHBTLNG-UHFFFAOYSA-N 1 0 436.596 4.426 40 0 IIABRO COc1cccc(C[N@@H+]2CC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)c1OC ZINC000019567566 556807510 /nfs/dbraw/zinc/80/75/10/556807510.db2.gz IELRAGLQGLDTAN-MHZLTWQESA-N 1 0 430.548 4.291 40 0 IIABRO COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCC2)c1OC ZINC000019568022 556808066 /nfs/dbraw/zinc/80/80/66/556808066.db2.gz SBBIBAIQAKMUHE-FKBYEOEOSA-N 1 0 440.609 4.382 40 0 IIABRO COc1ccccc1C[N@@H+]1CC[C@@](Cc2ccc(-c3ccccc3OC)cc2)(C(N)=O)C1 ZINC000019570009 556810165 /nfs/dbraw/zinc/81/01/65/556810165.db2.gz HQLGHYVOMDKQTA-MHZLTWQESA-N 1 0 430.548 4.291 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3c(C)[nH]c4ccc(F)cc43)CC1)C[C@@H]2O ZINC000019581418 556819226 /nfs/dbraw/zinc/81/92/26/556819226.db2.gz QHSHNXYKSRBEAX-FCHUYYIVSA-N 1 0 440.515 4.008 40 0 IIABRO Cc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000004231339 556820958 /nfs/dbraw/zinc/82/09/58/556820958.db2.gz NDIXIQADFADGDT-UHFFFAOYSA-N 1 0 426.948 4.476 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c(OC)c1 ZINC000019584439 556821832 /nfs/dbraw/zinc/82/18/32/556821832.db2.gz CENZSVRTAAVGLL-IBGZPJMESA-N 1 0 433.556 4.001 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019591340 556826397 /nfs/dbraw/zinc/82/63/97/556826397.db2.gz TYYBXKZPJHLAOT-HHHXNRCGSA-N 1 0 429.564 4.328 40 0 IIABRO CNc1ncccc1C[N@@H+]1CCC[C@@](Cc2ccccc2-c2ccncc2)(C(=O)N(C)C)C1 ZINC000019592041 556828011 /nfs/dbraw/zinc/82/80/11/556828011.db2.gz OZAGVXJBVBSKQQ-MHZLTWQESA-N 1 0 443.595 4.098 40 0 IIABRO Cc1ccc2cc(CN(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1C ZINC000008582814 556842414 /nfs/dbraw/zinc/84/24/14/556842414.db2.gz QPIMCMAFCQHBOH-UHFFFAOYSA-N 1 0 436.531 4.414 40 0 aggregator IIABRO COCCc1ncc(C[NH+]2CCC(c3cc(Cc4cccc(F)c4)cc(C)n3)CC2)cn1 ZINC000019691737 556847395 /nfs/dbraw/zinc/84/73/95/556847395.db2.gz POKAWRUHZDRSDF-UHFFFAOYSA-N 1 0 434.559 4.478 40 0 IIABRO Cc1nc(C2CC[NH+](Cc3ccncc3)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019703726 556862249 /nfs/dbraw/zinc/86/22/49/556862249.db2.gz PRSHNLBPNROASP-UHFFFAOYSA-N 1 0 445.542 4.178 40 0 IIABRO Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](Cc3cccc4ncccc34)CC2)n1 ZINC000019756681 556900638 /nfs/dbraw/zinc/90/06/38/556900638.db2.gz ZQFFAMVWPZBVFL-UHFFFAOYSA-N 1 0 446.580 4.132 40 0 IIABRO O=C(NC1CCCC1)c1cncnc1CC1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000019757024 556901084 /nfs/dbraw/zinc/90/10/84/556901084.db2.gz GQWYKVOVTVXZPB-UHFFFAOYSA-N 1 0 429.568 4.152 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)c1 ZINC000072330467 556905876 /nfs/dbraw/zinc/90/58/76/556905876.db2.gz OWNMDAOWONQVCU-KCWPFWIISA-N 1 0 429.564 4.402 40 0 IIABRO CCc1c(C)nc2cc(C3CCOCC3)nn2c1NC[C@H](c1ccccc1F)[NH+](C)C ZINC000072336889 556909388 /nfs/dbraw/zinc/90/93/88/556909388.db2.gz QURXGKGIFLGKHD-JOCHJYFZSA-N 1 0 425.552 4.348 40 0 IIABRO O=C(C[NH+]1CCC(c2ccnc3nc4ccccc4n32)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000072341941 556914315 /nfs/dbraw/zinc/91/43/15/556914315.db2.gz JIQJYMMATGFQAA-UHFFFAOYSA-N 1 0 443.595 4.147 40 0 IIABRO CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2ccncc2)CC1 ZINC000072345041 556916603 /nfs/dbraw/zinc/91/66/03/556916603.db2.gz YJUBQVRAHSBJTL-UHFFFAOYSA-N 1 0 428.580 4.495 40 0 IIABRO CC(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000409052961 556931084 /nfs/dbraw/zinc/93/10/84/556931084.db2.gz FRIUJCARQMGPMM-CCFRHWNESA-O 1 0 446.958 4.480 40 0 IIABRO Cc1ccc(C[N@@H+]2CC[C@@H](c3cc4nc(C)c(CCC(=O)NC(C)(C)C)c(C)n4n3)C2)cc1 ZINC000072369598 556933480 /nfs/dbraw/zinc/93/34/80/556933480.db2.gz KHEFDUBJQUGLIL-JOCHJYFZSA-N 1 0 447.627 4.491 40 0 IIABRO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000072370525 556935274 /nfs/dbraw/zinc/93/52/74/556935274.db2.gz JWNHNGIAVMAUMD-GOSISDBHSA-N 1 0 426.557 4.360 40 0 IIABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000409058607 556935676 /nfs/dbraw/zinc/93/56/76/556935676.db2.gz TZJPBHCYKHSKDS-CIPQKONYSA-O 1 0 439.322 4.010 40 0 IIABRO CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1CC(=O)N1CCC1 ZINC000072370698 556935885 /nfs/dbraw/zinc/93/58/85/556935885.db2.gz ILTKDQURJRSHKO-GOSISDBHSA-N 1 0 427.614 4.059 40 0 IIABRO Cc1cccc(C[NH+]2CCC(c3nc(C)c4c(n3)N(Cc3ccccn3)C(=O)CC4)CC2)c1 ZINC000072371143 556937566 /nfs/dbraw/zinc/93/75/66/556937566.db2.gz YJXBYPMSGGUVCF-UHFFFAOYSA-N 1 0 441.579 4.347 40 0 IIABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2CC(=O)N2CCCc3ccccc32)[nH+]1 ZINC000072372489 556942775 /nfs/dbraw/zinc/94/27/75/556942775.db2.gz OIRZLQYYVNUAAU-HSZRJFAPSA-N 1 0 428.540 4.040 40 0 IIABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(CC(=O)N3CCCc4ccccc43)C2)[nH+]1 ZINC000072374856 556948946 /nfs/dbraw/zinc/94/89/46/556948946.db2.gz WVUMFLCWOGUHHS-NRFANRHFSA-N 1 0 442.567 4.082 40 0 IIABRO CN(CCO)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1cccnc1 ZINC000072380065 556957275 /nfs/dbraw/zinc/95/72/75/556957275.db2.gz YBCONFGIYLFRGP-FQEVSTJZSA-N 1 0 437.609 4.348 40 0 IIABRO Cc1nc(C2CC[NH+](Cc3ccccn3)CC2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000072380078 556957607 /nfs/dbraw/zinc/95/76/07/556957607.db2.gz HVOROHJDAORKBF-UHFFFAOYSA-N 1 0 445.542 4.178 40 0 IIABRO Cc1cccc(C[N@H+]2CCC[C@@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)n1 ZINC000072391237 556961754 /nfs/dbraw/zinc/96/17/54/556961754.db2.gz OVKDYXCMRXHZMO-MHZLTWQESA-N 1 0 428.580 4.365 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(C)c1C ZINC000072398665 556970758 /nfs/dbraw/zinc/97/07/58/556970758.db2.gz XKQSCTLRMDHXOT-GJZUVCINSA-N 1 0 444.579 4.485 40 0 IIABRO O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]21)c1cccc(F)c1 ZINC000585110095 557042497 /nfs/dbraw/zinc/04/24/97/557042497.db2.gz INELSHITHAPPNF-BJKOFHAPSA-N 1 0 443.522 4.249 40 0 IIABRO O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12)c1ccsc1 ZINC000585110121 557043160 /nfs/dbraw/zinc/04/31/60/557043160.db2.gz KYRSVJHUZLYXSL-YADHBBJMSA-N 1 0 431.561 4.172 40 0 IIABRO CCOc1cc(CNCC[NH2+]CCO)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000023471945 557093562 /nfs/dbraw/zinc/09/35/62/557093562.db2.gz WUSJMSQQTGCELD-UHFFFAOYSA-N 1 0 447.790 4.296 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=S)NC1CCCCC1 ZINC000006193273 557147999 /nfs/dbraw/zinc/14/79/99/557147999.db2.gz WDTWLYQQTBHMOR-UHFFFAOYSA-N 1 0 442.673 4.496 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NC1CCCCC1 ZINC000006193417 557148436 /nfs/dbraw/zinc/14/84/36/557148436.db2.gz ISHOMXBDXNVJQH-UHFFFAOYSA-N 1 0 442.673 4.496 40 0 IIABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)N4CCN(C)CC4)c4ccccc43)CC2)s1 ZINC000096052933 557166461 /nfs/dbraw/zinc/16/64/61/557166461.db2.gz RKCBDKQMFSALJJ-NRFANRHFSA-N 1 0 437.653 4.242 40 0 IIABRO COc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2N2CCCC2)C[C@]12CCCCC(=O)N2 ZINC000585261678 557195357 /nfs/dbraw/zinc/19/53/57/557195357.db2.gz DFHOVLGMHGOUDY-WNCULLNHSA-N 1 0 433.596 4.324 40 0 IIABRO CCC1CC[NH+](CCC2CCN([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)CC1 ZINC000096900169 557206261 /nfs/dbraw/zinc/20/62/61/557206261.db2.gz FPHANIDUEVFWCI-QFIPXVFZSA-N 1 0 449.998 4.335 40 0 IIABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3cccc(OCCn4cccn4)c3)CC2)c(C)c1 ZINC000585273338 557215436 /nfs/dbraw/zinc/21/54/36/557215436.db2.gz ZVZBFWGPFZXTEM-MHZLTWQESA-N 1 0 449.595 4.375 40 0 IIABRO Cc1cc(OC[C@@]2(CC(=O)N(CCO)Cc3ccccc3)CCC[NH2+]C2)cc(C)c1Cl ZINC000585273677 557217571 /nfs/dbraw/zinc/21/75/71/557217571.db2.gz RHAFGPWPBVUBRX-RUZDIDTESA-N 1 0 445.003 4.117 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000072344800 557376984 /nfs/dbraw/zinc/37/69/84/557376984.db2.gz PZRBWIMCHHQYLV-JOCHJYFZSA-N 1 0 432.568 4.460 40 0 IIABRO CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000072372425 557388285 /nfs/dbraw/zinc/38/82/85/557388285.db2.gz CTBQBROZKXUBKW-VWLOTQADSA-N 1 0 447.623 4.031 40 0 IIABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COCCOc2ccc(C(C)C)cc2)CC1 ZINC000040373276 557414886 /nfs/dbraw/zinc/41/48/86/557414886.db2.gz OJRBOPYFTDRXIH-HSZRJFAPSA-N 1 0 447.019 4.350 40 0 IIABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(I)cc1 ZINC000224647664 557635899 /nfs/dbraw/zinc/63/58/99/557635899.db2.gz QMEMTBLXOZYDBQ-UHFFFAOYSA-N 1 0 434.321 4.207 40 0 IIABRO CCc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)c(Br)c1 ZINC000224781882 557650991 /nfs/dbraw/zinc/65/09/91/557650991.db2.gz QSHIYXDKJBXLBQ-UHFFFAOYSA-N 1 0 431.374 4.303 40 0 IIABRO O=S(=O)(Cc1ccc(Br)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224829029 557656192 /nfs/dbraw/zinc/65/61/92/557656192.db2.gz GZDIUKZXMRBLTO-UHFFFAOYSA-N 1 0 437.403 4.055 40 0 IIABRO Cc1ccc2[nH+]c(C)cc(NCCNC(=S)Nc3ccc(Br)cn3)c2c1 ZINC000225224590 557702278 /nfs/dbraw/zinc/70/22/78/557702278.db2.gz LTAQOKAMWLDXGR-UHFFFAOYSA-N 1 0 430.375 4.408 40 0 IIABRO C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccccc2)C1 ZINC000006137747 560205366 /nfs/dbraw/zinc/20/53/66/560205366.db2.gz IXCZXEVOTBBOIR-PZJWPPBQSA-N 1 0 442.563 4.228 40 0 biogenic,in-vitro IIABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CSc2ccccc2)on1)Nc1nccs1 ZINC000015673472 560230601 /nfs/dbraw/zinc/23/06/01/560230601.db2.gz YWCMEFBLMOBKDF-HOTGVXAUSA-N 1 0 428.583 4.220 40 0 biogenic,in-vitro IIABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CSc2ccccc2)on1)NCc1ccco1 ZINC000015673496 560230629 /nfs/dbraw/zinc/23/06/29/560230629.db2.gz NLRVIXCFDDCVAJ-ROUUACIJSA-N 1 0 425.554 4.035 40 0 biogenic,in-vitro IIABRO COCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585270521 568616631 /nfs/dbraw/zinc/61/66/31/568616631.db2.gz LOWYWAWYXIQXJM-AREMUKBSSA-N 1 0 443.584 4.133 40 0 IIABRO Cc1cnn(CCCOc2cccc(C[NH+]3CCC(O)(COc4ccc(C)cc4)CC3)c2)c1 ZINC000585271080 568617759 /nfs/dbraw/zinc/61/77/59/568617759.db2.gz IXFXBIDQVJEXFX-UHFFFAOYSA-N 1 0 449.595 4.375 40 0 IIABRO CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@H+](Cc3cc(C)c(OC)cc3C)C2)nc1C ZINC000257202378 568666376 /nfs/dbraw/zinc/66/63/76/568666376.db2.gz ALMUEOPXWSAQEF-NRFANRHFSA-N 1 0 438.616 4.119 40 0 IIABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)Cc4cn5ccsc5n4)C3)c2)cc1 ZINC000257213975 568671580 /nfs/dbraw/zinc/67/15/80/568671580.db2.gz CJXLFUFERBBKJP-KRWDZBQOSA-N 1 0 447.564 4.410 40 0 IIABRO CC[C@H](C)C[N@@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257221034 568674981 /nfs/dbraw/zinc/67/49/81/568674981.db2.gz DNGIFFZEYGCUQE-CYFREDJKSA-N 1 0 437.024 4.404 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257230159 568679057 /nfs/dbraw/zinc/67/90/57/568679057.db2.gz GBCDQOTYWHNHAY-IBGZPJMESA-N 1 0 433.531 4.188 40 0 IIABRO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(C(=O)CCn3ncc4ccccc43)C2)[nH+]1 ZINC000257243611 568685474 /nfs/dbraw/zinc/68/54/74/568685474.db2.gz IHUGXYGGPVSOSE-IBGZPJMESA-N 1 0 444.514 4.424 40 0 IIABRO C[N@H+](CCC(=O)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1)Cc1cccnc1 ZINC000257256780 568691795 /nfs/dbraw/zinc/69/17/95/568691795.db2.gz KMWIFWADHMTZMB-QFIPXVFZSA-N 1 0 435.959 4.378 40 0 IIABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4cn5cccnc5n4)C3)c2)cc1 ZINC000257340398 568728776 /nfs/dbraw/zinc/72/87/76/568728776.db2.gz ZFWGDNVEULPXBD-GOSISDBHSA-N 1 0 442.523 4.205 40 0 IIABRO COc1ccc(OC)c(C(=O)NCc2cnn(-c3ccccc3)c2[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000019707989 568741889 /nfs/dbraw/zinc/74/18/89/568741889.db2.gz UIPGTACJDVPZDA-LJQANCHMSA-N 1 0 448.567 4.017 40 0 IIABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2ccsc2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306125237 568763736 /nfs/dbraw/zinc/76/37/36/568763736.db2.gz CKAXTZYPVHLFTJ-WIOPSUGQSA-N 1 0 449.624 4.329 40 0 IIABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126622 568764501 /nfs/dbraw/zinc/76/45/01/568764501.db2.gz FALVMFQRJFZAAN-OZXSUGGESA-N 1 0 447.558 4.016 40 0 IIABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccccc3Cl)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306127774 568764982 /nfs/dbraw/zinc/76/49/82/568764982.db2.gz GHJFXWXSYPYRLI-YKSBVNFPSA-N 1 0 426.992 4.346 40 0 IIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5cccnc5)C4)nn3c2)c1OC ZINC000306133046 568767553 /nfs/dbraw/zinc/76/75/53/568767553.db2.gz MACMWYSPAJSYLV-FQEVSTJZSA-N 1 0 429.524 4.188 40 0 IIABRO O=C1N(Cc2cccnc2)CC[C@]12C[N@H+](Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 ZINC000306133073 568767569 /nfs/dbraw/zinc/76/75/69/568767569.db2.gz MAWXXDZJNFFLJW-UKILVPOCSA-N 1 0 432.955 4.148 40 0 IIABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306141732 568772379 /nfs/dbraw/zinc/77/23/79/568772379.db2.gz WEXXIWRMGLSNOW-QPPBQGQZSA-N 1 0 426.992 4.346 40 0 IIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccc(OC)c5OC)cn4n3)C2)cn1 ZINC000306144060 568773668 /nfs/dbraw/zinc/77/36/68/568773668.db2.gz YUYJZIDOOYWGQG-FQEVSTJZSA-N 1 0 446.555 4.010 40 0 IIABRO CC(C)c1nc(N2CCc3cc(Br)ccc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328990363 568808489 /nfs/dbraw/zinc/80/84/89/568808489.db2.gz IOHUDRFILKDFLI-GOSISDBHSA-N 1 0 433.394 4.354 40 0 IIABRO C[NH+](C)CCCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000329007664 568809123 /nfs/dbraw/zinc/80/91/23/568809123.db2.gz LMKYVEVUKZOODZ-UHFFFAOYSA-N 1 0 448.518 4.102 40 0 IIABRO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)C(C)(C)C)[N@H+]2C=Cc4ccccc4[C@@H]32)c1 ZINC000103530147 568897248 /nfs/dbraw/zinc/89/72/48/568897248.db2.gz XXAKPPYKBYUAGJ-LUKWVAJMSA-N 1 0 428.532 4.434 40 0 IIABRO COc1cc(C(=O)Nc2ccc(CC[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)cc(OC)c1OC ZINC000253602765 569209079 /nfs/dbraw/zinc/20/90/79/569209079.db2.gz RLMMNYBLPACGEX-IEBWSBKVSA-N 1 0 426.557 4.485 40 0 IIABRO O=C(NCc1cccnc1)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063543 569219896 /nfs/dbraw/zinc/21/98/96/569219896.db2.gz PCWHJBRWRDROPD-UHFFFAOYSA-N 1 0 446.526 4.001 40 0 IIABRO Cc1ccc(-c2cc(C[C@@]3(C(=O)NCC(C)C)CCC[N@@H+]3Cc3ccccn3)on2)cc1 ZINC000019696507 569229777 /nfs/dbraw/zinc/22/97/77/569229777.db2.gz PFYICMJICFQLJV-AREMUKBSSA-N 1 0 432.568 4.395 40 0 IIABRO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000019702213 569231796 /nfs/dbraw/zinc/23/17/96/569231796.db2.gz GNSKIVMUFUBSNR-SFHVURJKSA-N 1 0 446.576 4.210 40 0 IIABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702482 569232043 /nfs/dbraw/zinc/23/20/43/569232043.db2.gz AESNCQVLWYCPNK-INIZCTEOSA-N 1 0 449.555 4.326 40 0 IIABRO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000019702573 569232179 /nfs/dbraw/zinc/23/21/79/569232179.db2.gz BQJZVJUGCSHFTP-QGZVFWFLSA-N 1 0 448.592 4.154 40 0 IIABRO CC1CC[NH+](CCC(=O)N2CC[C@@H](c3ccc4c(NCc5ccccc5)n[nH]c4n3)C2)CC1 ZINC000019705120 569233938 /nfs/dbraw/zinc/23/39/38/569233938.db2.gz ONXRSAMWVTWVKE-OAQYLSRUSA-N 1 0 446.599 4.008 40 0 IIABRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)c(OC)c1 ZINC000020241760 569241150 /nfs/dbraw/zinc/24/11/50/569241150.db2.gz PXTLCIUQHLIRSU-UHFFFAOYSA-N 1 0 431.536 4.278 40 0 IIABRO Cc1ccccc1C[N@H+]1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1 ZINC000019687709 569326365 /nfs/dbraw/zinc/32/63/65/569326365.db2.gz QCTXDOPSIFMXST-HSZRJFAPSA-N 1 0 429.568 4.344 40 0 IIABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CC[N@H+](Cc4ccccc4C)C3)nc2C)c1 ZINC000019757935 569328728 /nfs/dbraw/zinc/32/87/28/569328728.db2.gz WDPRPGVCIFNJPJ-JOCHJYFZSA-N 1 0 430.552 4.022 40 0 IIABRO C[NH+](C)CCCNc1nc(Nc2ccc(O)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329005859 569582851 /nfs/dbraw/zinc/58/28/51/569582851.db2.gz KZPFIEUAKPVGHQ-UHFFFAOYSA-N 1 0 447.461 4.855 40 0 IIABRO CC(C)(C)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329065459 569582926 /nfs/dbraw/zinc/58/29/26/569582926.db2.gz XRWLZIPXVHSAHD-UHFFFAOYSA-N 1 0 437.510 5.054 40 0 IIABRO Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccncc2)nc(NCCC[NH+](C)C)n1 ZINC000329016001 569584024 /nfs/dbraw/zinc/58/40/24/569584024.db2.gz NFALHUYZLAUIFW-UHFFFAOYSA-N 1 0 446.477 4.853 40 0 IIABRO Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)[NH2+][C@H](C(=O)NCc2ccco2)C3)no1 ZINC000049171910 291384966 /nfs/dbraw/zinc/38/49/66/291384966.db2.gz XKZQLKLENWYODG-GOTSBHOMSA-N 1 0 446.551 4.497 40 0 biogenic,in-vitro IIABRO CC[NH+](CC)CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=S)Nc1ccccc1 ZINC000006078338 193877795 /nfs/dbraw/zinc/87/77/95/193877795.db2.gz WMDVUPNUZREQME-UHFFFAOYSA-N 1 0 438.597 4.078 40 0 IIABRO CCOc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OCc1ccccc1F ZINC000022074104 520711506 /nfs/dbraw/zinc/71/15/06/520711506.db2.gz PVQYOHIDFJGVSB-UHFFFAOYSA-N 1 0 436.955 4.269 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(OC)cc1 ZINC000012711750 521633688 /nfs/dbraw/zinc/63/36/88/521633688.db2.gz BYZLHDXGZGEVNA-JOCHJYFZSA-N 1 0 448.567 4.364 40 0 IIABRO CN1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cccc(C(F)(F)F)c5)ccc43)C2)CC1 ZINC000020503181 523770279 /nfs/dbraw/zinc/77/02/79/523770279.db2.gz FGVMCEAYGDOJSY-FUHWJXTLSA-N 1 0 431.502 4.047 40 0 biogenic,in-vitro IIABRO COc1cccc(C[NH+]2CCC(c3cc4nc(C)cc(C(F)(F)F)n4n3)CC2)c1OC ZINC000012160283 525934053 /nfs/dbraw/zinc/93/40/53/525934053.db2.gz OITQNZNABLLRRO-UHFFFAOYSA-N 1 0 434.462 4.453 40 0 IIABRO O=C(C[N@@H+]1CCC2(C1)CCCCC2)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182881 526732773 /nfs/dbraw/zinc/73/27/73/526732773.db2.gz DENZFSWQSZLHIF-VQTJNVASSA-N 1 0 428.577 4.043 40 0 IIABRO NC(=O)C(CC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000022057167 526846860 /nfs/dbraw/zinc/84/68/60/526846860.db2.gz PXJHDOGGBLQFRX-UHFFFAOYSA-N 1 0 448.994 4.485 40 0 in-vitro IIABRO O=c1ccc(-c2ccc3ccccc3c2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(CO)o2)C1 ZINC000020503379 527485745 /nfs/dbraw/zinc/48/57/45/527485745.db2.gz SNMCMQVNPFHGBA-PGRDOPGGSA-N 1 0 426.516 4.373 40 0 biogenic,in-vitro IIABRO CC[NH+](CC)CCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1cccnc1 ZINC000006511533 556092485 /nfs/dbraw/zinc/09/24/85/556092485.db2.gz GWJSRLJCLYQCGN-UHFFFAOYSA-N 1 0 442.648 4.360 40 0 IIABRO O=C(Nc1ccccc1C(=O)N1CCCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039741768 556435612 /nfs/dbraw/zinc/43/56/12/556435612.db2.gz MCWVEWYAHBQJLK-UHFFFAOYSA-N 1 0 425.960 4.427 40 0 IIABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000032125379 556534929 /nfs/dbraw/zinc/53/49/29/556534929.db2.gz FGMYXVSCAOQFAJ-UHFFFAOYSA-N 1 0 437.396 4.262 40 0 IIABRO COc1ccc(CCN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000015890197 556561561 /nfs/dbraw/zinc/56/15/61/556561561.db2.gz CLZGAJRSBRUMBT-FQEVSTJZSA-N 1 0 430.976 4.270 40 0 IIABRO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(Cl)c1Cl ZINC000044871506 556673156 /nfs/dbraw/zinc/67/31/56/556673156.db2.gz PZVOQMUHNJXYNS-UHFFFAOYSA-N 1 0 429.369 4.076 40 0 IIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc2)C1 ZINC000260380196 556691459 /nfs/dbraw/zinc/69/14/59/556691459.db2.gz HSOCHOQVWBUVMJ-SIKLNZKXSA-N 1 0 435.568 4.080 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(OC)c1 ZINC000019081889 556696809 /nfs/dbraw/zinc/69/68/09/556696809.db2.gz BWUHHFMUGQHLPG-WMZHIEFXSA-N 1 0 425.573 4.214 40 0 IIABRO COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NCC[NH+]3CCCCC3)CCCO2)cc1 ZINC000257325637 556704770 /nfs/dbraw/zinc/70/47/70/556704770.db2.gz WTTXPMIFTBPNJB-SANMLTNESA-N 1 0 440.559 4.195 40 0 IIABRO Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](CC2CCCCC2)C3)cc1 ZINC000019135282 556705707 /nfs/dbraw/zinc/70/57/07/556705707.db2.gz PDOUARSCKROCAJ-QHCPKHFHSA-N 1 0 434.584 4.406 40 0 IIABRO Cc1c(C)n(C[C@H](O)C[N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)c2ccccc12 ZINC000257220267 556707483 /nfs/dbraw/zinc/70/74/83/556707483.db2.gz DKFIHUSZDSFLKV-JOCHJYFZSA-N 1 0 432.568 4.064 40 0 IIABRO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(OC)c(OC)c2)cc1 ZINC000257228217 556708517 /nfs/dbraw/zinc/70/85/17/556708517.db2.gz FSWIXYAZTSGBKP-PKTZIBPZSA-N 1 0 438.568 4.258 40 0 IIABRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2cc(=O)[nH]c(NCc3cccnc3)n2)o1 ZINC000019216371 556711912 /nfs/dbraw/zinc/71/19/12/556711912.db2.gz BAPYSICWELXKOR-FCHUYYIVSA-N 1 0 441.535 4.062 40 0 IIABRO Cc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2cc(=O)[nH]c(NCc3cccnc3)n2)o1 ZINC000019216374 556712185 /nfs/dbraw/zinc/71/21/85/556712185.db2.gz BAPYSICWELXKOR-VXKWHMMOSA-N 1 0 441.535 4.062 40 0 IIABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCOC[C@@H](Cc2ccc3nccn3n2)C1 ZINC000257260486 556712371 /nfs/dbraw/zinc/71/23/71/556712371.db2.gz LDBQLRGGLIAKRI-FQEVSTJZSA-N 1 0 428.536 4.096 40 0 IIABRO COCCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)cc1 ZINC000019217358 556712777 /nfs/dbraw/zinc/71/27/77/556712777.db2.gz JGVBSQHTDXLDEA-FYYLOGMGSA-N 1 0 428.598 4.314 40 0 IIABRO O=C1O[C@]2(CC[N@H+](Cc3ccccc3OCc3ccccn3)C2)CN1Cc1ccccc1 ZINC000257310941 556718532 /nfs/dbraw/zinc/71/85/32/556718532.db2.gz UHGRFBQODVIEEH-SANMLTNESA-N 1 0 429.520 4.258 40 0 IIABRO O=C(c1ccc(F)c(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019292802 556732136 /nfs/dbraw/zinc/73/21/36/556732136.db2.gz AWKSFCUWYRBYJJ-OAQYLSRUSA-N 1 0 442.510 4.129 40 0 IIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019346075 556742877 /nfs/dbraw/zinc/74/28/77/556742877.db2.gz JZQHDJOZFKUMQA-LEWJYISDSA-N 1 0 430.907 4.345 40 0 IIABRO CCc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc(CC)ccc3[nH]c2=O)cc1 ZINC000000920140 556749292 /nfs/dbraw/zinc/74/92/92/556749292.db2.gz DKIJCEJGQXFQFF-UHFFFAOYSA-N 1 0 436.625 4.414 40 0 IIABRO O=C(CN(c1nc([C@@H]2CCC[NH2+]C2)c2ccccn21)c1cccc(F)c1)NC1CCCC1 ZINC000019399752 556752713 /nfs/dbraw/zinc/75/27/13/556752713.db2.gz HCRSGKWGVDOTCU-GOSISDBHSA-N 1 0 435.547 4.137 40 0 IIABRO CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]c2=O)C1 ZINC000019448391 556758023 /nfs/dbraw/zinc/75/80/23/556758023.db2.gz JZUUDJGJNSRILY-JOCHJYFZSA-N 1 0 434.584 4.124 40 0 IIABRO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002441688 556761148 /nfs/dbraw/zinc/76/11/48/556761148.db2.gz DTRPRDLTKSXMEC-OYLFLEFRSA-N 1 0 427.545 4.192 40 0 IIABRO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H](C)[NH+]4CCCCC4)C3)cc2n1 ZINC000019452376 556763436 /nfs/dbraw/zinc/76/34/36/556763436.db2.gz NYFITACOMNLAHY-HZPDHXFCSA-N 1 0 437.510 4.062 40 0 IIABRO CCc1ncc(C[N@@H+]2CCC[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019523366 556780643 /nfs/dbraw/zinc/78/06/43/556780643.db2.gz XRXXCJCQKVNGMQ-HHHXNRCGSA-N 1 0 443.595 4.014 40 0 IIABRO CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000019529188 556790484 /nfs/dbraw/zinc/79/04/84/556790484.db2.gz AZKMUCDFPQCGHE-HHHXNRCGSA-N 1 0 443.595 4.233 40 0 IIABRO CCOc1ncc(C2(O)CC[NH+](Cc3ccc(-c4ccccc4F)o3)CC2)c(OCC)n1 ZINC000019531733 556792333 /nfs/dbraw/zinc/79/23/33/556792333.db2.gz XMZWVASHEUJQGI-UHFFFAOYSA-N 1 0 441.503 4.157 40 0 IIABRO COc1ccc(OC)c(C[NH+]2CCC([C@@H](NC(=O)C3CCCC3)c3ccccn3)CC2)c1 ZINC000019551462 556795719 /nfs/dbraw/zinc/79/57/19/556795719.db2.gz SXVMGNDPJXXTCI-RUZDIDTESA-N 1 0 437.584 4.359 40 0 IIABRO CCc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000001380586 556796660 /nfs/dbraw/zinc/79/66/60/556796660.db2.gz DGMLBIZWNSAXHU-UHFFFAOYSA-N 1 0 431.462 4.288 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)C[C@@H]2O ZINC000019563011 556804072 /nfs/dbraw/zinc/80/40/72/556804072.db2.gz HDDASCPPCRHHDJ-PMACEKPBSA-N 1 0 438.351 4.386 40 0 IIABRO COc1cccc(C[N@@H+]2CC=CC[C@@]3(C(=O)NCc4ccc(F)cc4)CCC[C@@H]23)c1OC ZINC000019567563 556807624 /nfs/dbraw/zinc/80/76/24/556807624.db2.gz GXESZFCZVDZEOJ-ZEQKJWHPSA-N 1 0 438.543 4.460 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3c(C)[nH]c4ccc(F)cc43)CC1)C[C@H]2O ZINC000019581427 556819624 /nfs/dbraw/zinc/81/96/24/556819624.db2.gz QHSHNXYKSRBEAX-YADHBBJMSA-N 1 0 440.515 4.008 40 0 IIABRO CC(C)Nc1n[nH]c2nc([C@H]3CCCN(C(=O)CCC[NH+]4CCCCCC4)C3)ccc12 ZINC000019742267 556886199 /nfs/dbraw/zinc/88/61/99/556886199.db2.gz PJTBEHIASXQDGL-IBGZPJMESA-N 1 0 426.609 4.140 40 0 IIABRO Cc1nn(C)c(C)c1CCNC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000072344540 556915042 /nfs/dbraw/zinc/91/50/42/556915042.db2.gz PUDXJHJFRRHUCA-UHFFFAOYSA-N 1 0 436.522 4.017 40 0 IIABRO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@@H+](Cc3cn(C)c4ccc(F)cc34)C2)n1 ZINC000072353753 556928009 /nfs/dbraw/zinc/92/80/09/556928009.db2.gz VSYGHIGIEDRKRO-KRWDZBQOSA-N 1 0 430.531 4.440 40 0 IIABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409052622 556930772 /nfs/dbraw/zinc/93/07/72/556930772.db2.gz HKSGOKHYOIUVAT-CIPQKONYSA-O 1 0 439.322 4.010 40 0 IIABRO CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)C[NH+]1CCCCC1 ZINC000072370730 556936353 /nfs/dbraw/zinc/93/63/53/556936353.db2.gz LOOSEHXVGBILEC-LJQANCHMSA-N 1 0 441.641 4.403 40 0 IIABRO Cc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 ZINC000409054773 556938576 /nfs/dbraw/zinc/93/85/76/556938576.db2.gz BOPKGICGDZYXAE-MNSXOOQPSA-O 1 0 440.567 4.443 40 0 IIABRO CC[NH+]1CCC(CC(=O)N2CC[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)CC1 ZINC000072371805 556940788 /nfs/dbraw/zinc/94/07/88/556940788.db2.gz HHKKWEVRTIMPBI-IBGZPJMESA-N 1 0 445.007 4.123 40 0 IIABRO CC(C)[N@@H+]1CCC[C@@H](c2cccc(CC3(C(=O)NCCc4ccccn4)CCOCC3)c2)C1 ZINC000072372260 556941861 /nfs/dbraw/zinc/94/18/61/556941861.db2.gz RIOXGTKHLKPXFC-RUZDIDTESA-N 1 0 449.639 4.368 40 0 IIABRO CC(C)[N@@H+]1CCC[C@@H](c2cccc(CC3(C(=O)NCc4ccccn4)CCOCC3)c2)C1 ZINC000072372252 556941939 /nfs/dbraw/zinc/94/19/39/556941939.db2.gz UQYKJLLOVQANEQ-XMMPIXPASA-N 1 0 435.612 4.325 40 0 IIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3cc(Nc4cnccn4)cc(C)n3)C1)OCCO2 ZINC000072375042 556950483 /nfs/dbraw/zinc/95/04/83/556950483.db2.gz GHRXTEDMFVGWIR-SFHVURJKSA-N 1 0 447.539 4.083 40 0 IIABRO CN(CCO)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1ccncc1 ZINC000072380044 556957265 /nfs/dbraw/zinc/95/72/65/556957265.db2.gz YPTGQLNHZIVRTI-HXUWFJFHSA-N 1 0 437.609 4.348 40 0 IIABRO CN(CCO)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1ccccn1 ZINC000072380081 556957639 /nfs/dbraw/zinc/95/76/39/556957639.db2.gz OSOQZKJPDYZEHP-FQEVSTJZSA-N 1 0 437.609 4.348 40 0 IIABRO Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000257235941 556985110 /nfs/dbraw/zinc/98/51/10/556985110.db2.gz HADRZKWUBWMIPU-AQYVVDRMSA-N 1 0 435.616 4.357 40 0 IIABRO COc1ccc([C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000022942024 557053991 /nfs/dbraw/zinc/05/39/91/557053991.db2.gz PIKMDZDCXCAPEF-XMMPIXPASA-N 1 0 432.564 4.144 40 0 investigational IIABRO O=C(c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000096154772 557178765 /nfs/dbraw/zinc/17/87/65/557178765.db2.gz WAEXDTRYEYKUPX-UHFFFAOYSA-N 1 0 448.530 4.149 40 0 IIABRO O=C(N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21)C1(c2ccccc2F)CCOCC1 ZINC000585261729 557196389 /nfs/dbraw/zinc/19/63/89/557196389.db2.gz CVLGUAJVSAYXHB-TUSQITKMSA-N 1 0 436.571 4.401 40 0 IIABRO c1[nH]nc2cccc(C[C@@H]3COCC[N@@H+](Cc4cccc(OCc5ccccn5)c4)C3)c12 ZINC000585261950 557197907 /nfs/dbraw/zinc/19/79/07/557197907.db2.gz KKWQRKTZRAJPJH-NRFANRHFSA-N 1 0 428.536 4.228 40 0 IIABRO OC1(COc2cccc(Cl)c2)CC[NH+](Cc2cccc(OCCn3cccn3)c2)CC1 ZINC000585272023 557216724 /nfs/dbraw/zinc/21/67/24/557216724.db2.gz DYVLOWDGHAUFFO-UHFFFAOYSA-N 1 0 441.959 4.021 40 0 IIABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000219239530 557232501 /nfs/dbraw/zinc/23/25/01/557232501.db2.gz CGOIFLLEEJIAPY-WZONZLPQSA-N 1 0 428.598 4.203 40 0 IIABRO Cc1ccc(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000026781400 557248477 /nfs/dbraw/zinc/24/84/77/557248477.db2.gz QUVORWIOPONFPL-SANMLTNESA-N 1 0 430.592 4.450 40 0 IIABRO COc1ccc(C2=NN(CC[C@H](C)[NH+]3CCCC3)C(=O)c3cc4ccccc4n3C2)cc1 ZINC000057740518 557257528 /nfs/dbraw/zinc/25/75/28/557257528.db2.gz WAQGZORDHLWSHR-IBGZPJMESA-N 1 0 430.552 4.384 40 0 IIABRO CC[NH+](CC)CCCNc1nc(-c2ccncc2)nc2c1CCN(Cc1ccccc1F)C2 ZINC000057743645 557258230 /nfs/dbraw/zinc/25/82/30/557258230.db2.gz RLLYZJZPUWTJHD-UHFFFAOYSA-N 1 0 448.590 4.380 40 0 IIABRO CC[NH+](CC)CCCNc1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000057743702 557258245 /nfs/dbraw/zinc/25/82/45/557258245.db2.gz CUNROQDWOVBBPK-UHFFFAOYSA-N 1 0 448.590 4.380 40 0 IIABRO COc1ccc(C[NH2+][C@@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)cc1OC ZINC000100744456 557275330 /nfs/dbraw/zinc/27/53/30/557275330.db2.gz OZRDUWWJEXUBPZ-XMMPIXPASA-N 1 0 433.512 4.001 40 0 IIABRO CCOc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000023471904 557314894 /nfs/dbraw/zinc/31/48/94/557314894.db2.gz JRSCBLIHZMCBGL-OAHLLOKOSA-N 1 0 427.372 4.031 40 0 IIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000072344830 557376998 /nfs/dbraw/zinc/37/69/98/557376998.db2.gz RSSFOWICYQFPOD-OAQYLSRUSA-N 1 0 432.568 4.379 40 0 IIABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC1)O2 ZINC000013998264 557402829 /nfs/dbraw/zinc/40/28/29/557402829.db2.gz GDGZINJWZUMYRA-RTWAWAEBSA-N 1 0 446.385 4.450 40 0 IIABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 ZINC000223257885 557451806 /nfs/dbraw/zinc/45/18/06/557451806.db2.gz OJLAHLYDDXYKAO-NHCUHLMSSA-N 1 0 448.621 4.016 40 0 IIABRO CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)o2)cc1 ZINC000223284283 557455818 /nfs/dbraw/zinc/45/58/18/557455818.db2.gz VDWYZRIQFQOKPM-GOTSBHOMSA-N 1 0 436.581 4.274 40 0 IIABRO COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)c1 ZINC000224523054 557616245 /nfs/dbraw/zinc/61/62/45/557616245.db2.gz POGNZQSENPDLBH-DHIUTWEWSA-N 1 0 427.533 4.453 40 0 IIABRO O=C(NCC1(c2ccccc2)CCOCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224897610 557664303 /nfs/dbraw/zinc/66/43/03/557664303.db2.gz DBRPEVLWEAMLAZ-UHFFFAOYSA-N 1 0 426.988 4.417 40 0 IIABRO CC(C)NC(=O)c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000225440531 557723034 /nfs/dbraw/zinc/72/30/34/557723034.db2.gz FGQYRIXJOWQTMA-UHFFFAOYSA-N 1 0 428.580 4.319 40 0 IIABRO CC[C@@H]1c2ccc(OC)c3c2[C@]24CC[N@@H+](C)[C@H]1[C@]21C=C[C@@](OC)([C@H](C(C)(C)O)C1)[C@]4(C)O3 ZINC000253504116 560037813 /nfs/dbraw/zinc/03/78/13/560037813.db2.gz CQJSMSATJDJBEL-QWJWWHNYSA-N 1 0 439.596 4.028 40 0 biogenic,in-vitro IIABRO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C3)cc1 ZINC000096269282 560054284 /nfs/dbraw/zinc/05/42/84/560054284.db2.gz GHPAPFQALHNADU-IBGZPJMESA-N 1 0 433.430 4.146 40 0 biogenic,in-vitro IIABRO C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000585262266 568616274 /nfs/dbraw/zinc/61/62/74/568616274.db2.gz IYLFWBWWBAZNRQ-CZYKHXBRSA-N 1 0 446.975 4.246 40 0 IIABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3cccc(OCCn4cccn4)c3)CC2)cc1 ZINC000585270052 568616795 /nfs/dbraw/zinc/61/67/95/568616795.db2.gz BHMSJIZUSCKDGG-SANMLTNESA-N 1 0 435.568 4.067 40 0 IIABRO Cc1ccc(OCC2(O)CC[NH+](Cc3ccc(OCc4nccn4C)cc3)CC2)c(C)c1 ZINC000585270631 568617267 /nfs/dbraw/zinc/61/72/67/568617267.db2.gz NUCQVGQLSRGUEJ-UHFFFAOYSA-N 1 0 435.568 4.022 40 0 IIABRO Cc1cc(Nc2nccs2)cc([C@@H]2CCN(C(=O)CCc3nnc(C(C)C)o3)C2)[nH+]1 ZINC000257216902 568672748 /nfs/dbraw/zinc/67/27/48/568672748.db2.gz CWPCZBZVXQRSKP-OAHLLOKOSA-N 1 0 426.546 4.045 40 0 IIABRO COc1cc(C)ccc1OCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[N@H+](C)[C@@H]2Cc1ccccc1 ZINC000257218290 568673455 /nfs/dbraw/zinc/67/34/55/568673455.db2.gz DCODMOXFCAEXJX-IITZRFRKSA-N 1 0 448.607 4.467 40 0 IIABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)CCn4ccccc4=O)C3)c2)cc1 ZINC000257219792 568674480 /nfs/dbraw/zinc/67/44/80/568674480.db2.gz DIDVJDNBWREBEO-HXUWFJFHSA-N 1 0 446.551 4.100 40 0 IIABRO Fc1ccccc1C[NH+]1CCC(c2cc(N3CCCCC3)nc(-c3cnccn3)n2)CC1 ZINC000257231795 568679621 /nfs/dbraw/zinc/67/96/21/568679621.db2.gz GIGNBAJDABZJDM-UHFFFAOYSA-N 1 0 432.547 4.443 40 0 IIABRO Cc1nc(Nc2cccc([C@H]3CN(Cc4c(C)nc5ccccn54)CCO3)n2)sc1C ZINC000257242644 568684912 /nfs/dbraw/zinc/68/49/12/568684912.db2.gz IDLKMZWIMBEUGN-HXUWFJFHSA-N 1 0 434.569 4.428 40 0 IIABRO CC(C)(CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1)[NH+]1CCCCC1 ZINC000257250304 568688621 /nfs/dbraw/zinc/68/86/21/568688621.db2.gz JLZIOFOVMSXMQJ-UHFFFAOYSA-N 1 0 435.612 4.469 40 0 IIABRO Cc1nc2cc([C@H]3CC[N@H+](Cc4ccccc4)C3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257254771 568690761 /nfs/dbraw/zinc/69/07/61/568690761.db2.gz KEOSTFFZJHYLTF-QFIPXVFZSA-N 1 0 445.611 4.327 40 0 IIABRO Cc1cc(Nc2nccs2)cc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)n(C)c(=O)n4C)C2)n1 ZINC000257285395 568704526 /nfs/dbraw/zinc/70/45/26/568704526.db2.gz PGWPNFPVADNRNI-GOSISDBHSA-N 1 0 448.596 4.160 40 0 IIABRO COCC(=O)N1CCC2(C[N@H+](Cc3ccc(Cl)cc3F)C[C@@H]2c2ccccc2)CC1 ZINC000257315558 568717930 /nfs/dbraw/zinc/71/79/30/568717930.db2.gz VBXNGXPNAAQKQX-OAQYLSRUSA-N 1 0 430.951 4.334 40 0 IIABRO COc1ccc(CCC(=O)N2CCC(c3cc(Nc4cnccn4)cc(C)[nH+]3)CC2)cc1 ZINC000257335882 568726890 /nfs/dbraw/zinc/72/68/90/568726890.db2.gz YMGWFLQGKGZVDE-UHFFFAOYSA-N 1 0 431.540 4.271 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CC[C@@]2(C1)CN(c1cccc(Cl)c1)C(=O)O2 ZINC000257344988 568730870 /nfs/dbraw/zinc/73/08/70/568730870.db2.gz ZZMDWIBYUGOQPJ-XMMPIXPASA-N 1 0 439.943 4.177 40 0 IIABRO Cc1cccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC000306137249 568769868 /nfs/dbraw/zinc/76/98/68/568769868.db2.gz QQMHUOLHBNWISE-SQHAQQRYSA-N 1 0 443.595 4.186 40 0 IIABRO Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC[NH+](C)C)n2)cc1F ZINC000328961086 568807808 /nfs/dbraw/zinc/80/78/08/568807808.db2.gz BBKMOGLEPZOGFW-UHFFFAOYSA-N 1 0 449.452 4.051 40 0 IIABRO CC(C)c1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328984919 568808655 /nfs/dbraw/zinc/80/86/55/568808655.db2.gz HQQIZVGPCVDBRC-GOSISDBHSA-N 1 0 438.494 4.490 40 0 IIABRO FC(F)(F)Oc1cccc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CCCC3)n2)c1 ZINC000329071624 568811179 /nfs/dbraw/zinc/81/11/79/568811179.db2.gz ZRVWASNZYYODAJ-UHFFFAOYSA-N 1 0 449.521 4.042 40 0 IIABRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000101636064 568846424 /nfs/dbraw/zinc/84/64/24/568846424.db2.gz SBDWEGLQMXXFNY-TYKWCNGQSA-N 1 0 429.605 4.098 40 0 IIABRO COCCn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)cc2ccccc21 ZINC000257198530 568921689 /nfs/dbraw/zinc/92/16/89/568921689.db2.gz BKDVITVGXLIYEZ-LNEBKTTKSA-N 1 0 433.596 4.323 40 0 IIABRO COCCn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc2ccccc21 ZINC000257198531 568921697 /nfs/dbraw/zinc/92/16/97/568921697.db2.gz BKDVITVGXLIYEZ-NZCWTCFWSA-N 1 0 433.596 4.323 40 0 IIABRO O=C(c1ccc(Nc2ncccn2)cc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199310 568921877 /nfs/dbraw/zinc/92/18/77/568921877.db2.gz ZBKDYXFBRCYKLP-SCDRESIJSA-N 1 0 429.568 4.255 40 0 IIABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@@H]2NC(=O)C(C)C ZINC000247998985 569206819 /nfs/dbraw/zinc/20/68/19/569206819.db2.gz NDQNERDUFDHKSZ-PNIUZAESSA-N 1 0 447.623 4.089 40 0 IIABRO COc1cc(C(=O)Nc2ccc(CC[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)cc(OC)c1OC ZINC000012182099 569224882 /nfs/dbraw/zinc/22/48/82/569224882.db2.gz RLMMNYBLPACGEX-PKOBYXMFSA-N 1 0 426.557 4.485 40 0 IIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000019133401 569226182 /nfs/dbraw/zinc/22/61/82/569226182.db2.gz UIALLSRHFRDELP-PGRDOPGGSA-N 1 0 436.581 4.238 40 0 IIABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@H+](Cc3cccn3C(C)C)C1)O2 ZINC000019454982 569226683 /nfs/dbraw/zinc/22/66/83/569226683.db2.gz MMADUJRTUVNODE-CJFMBICVSA-N 1 0 425.573 4.099 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000019456103 569226696 /nfs/dbraw/zinc/22/66/96/569226696.db2.gz BOJYNDITWNBKRV-JIPXPUAJSA-N 1 0 428.580 4.318 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cc1 ZINC000019555084 569227013 /nfs/dbraw/zinc/22/70/13/569227013.db2.gz BUOPIQIXEGJGMJ-YIXXDRMTSA-N 1 0 429.564 4.402 40 0 IIABRO CNC(=O)c1[nH]c(C2CC[NH+](Cc3ccc(C)cc3OC)CC2)nc1-c1ccc(F)cc1 ZINC000019696982 569229796 /nfs/dbraw/zinc/22/97/96/569229796.db2.gz IHBOVPKHUAMYNC-UHFFFAOYSA-N 1 0 436.531 4.272 40 0 IIABRO Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)C1 ZINC000019738978 569236351 /nfs/dbraw/zinc/23/63/51/569236351.db2.gz NFZJGJCPLNEOOO-HXUWFJFHSA-N 1 0 446.599 4.056 40 0 IIABRO COc1ccc(C[NH+]2CCC(c3ncc(C(=O)Nc4ccc(OC)cc4)c(C)n3)CC2)cc1 ZINC000019763861 569238199 /nfs/dbraw/zinc/23/81/99/569238199.db2.gz OHNXZEWCJZOVRV-UHFFFAOYSA-N 1 0 446.551 4.434 40 0 IIABRO COc1ccc(C[NH+]2CCC(c3ncc(C(=O)Nc4ccccc4)c(C)n3)CC2)cc1OC ZINC000019764191 569238345 /nfs/dbraw/zinc/23/83/45/569238345.db2.gz XVYORSMHQZTGAZ-UHFFFAOYSA-N 1 0 446.551 4.434 40 0 IIABRO COc1ccc(OC)c(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)c1 ZINC000020241762 569241231 /nfs/dbraw/zinc/24/12/31/569241231.db2.gz UVNDDQZLXOPMLC-UHFFFAOYSA-N 1 0 431.536 4.278 40 0 IIABRO O=S(=O)(NC[C@H]([NH2+]CCOc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000059121228 569459257 /nfs/dbraw/zinc/45/92/57/569459257.db2.gz WHZMKPBLYZUEBD-QFIPXVFZSA-N 1 0 430.957 4.028 40 0 IIABRO CC(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(OCc4ccccc4)CC3)ccc21 ZINC000019085732 519470581 /nfs/dbraw/zinc/47/05/81/519470581.db2.gz IMXXJLQMBGZNLA-AREMUKBSSA-N 1 0 436.596 4.336 40 0 IIABRO CCc1oc2ccccc2c1C[NH+]1CCC(O)(Cn2nc(-c3cccs3)ccc2=O)CC1 ZINC000012276293 523010419 /nfs/dbraw/zinc/01/04/19/523010419.db2.gz NMEXUFNSPUHPGP-UHFFFAOYSA-N 1 0 449.576 4.308 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cc1OC ZINC000012329256 524029093 /nfs/dbraw/zinc/02/90/93/524029093.db2.gz WULDEAHNZMYPCP-QUCCMNQESA-N 1 0 448.485 4.459 40 0 IIABRO COc1ccccc1NC(=O)N(CCC[NH+](C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000012705940 524608876 /nfs/dbraw/zinc/60/88/76/524608876.db2.gz IRMFSONSWZWMOB-UHFFFAOYSA-N 1 0 436.556 4.139 40 0 IIABRO CCOC(=O)C1(c2ccccc2)CC[NH+](C[C@H](O)COc2cc(C)ccc2C(C)C)CC1 ZINC000005179442 556035497 /nfs/dbraw/zinc/03/54/97/556035497.db2.gz CVUZDESWDDVEBS-QHCPKHFHSA-N 1 0 439.596 4.455 40 0 IIABRO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000039768528 556437400 /nfs/dbraw/zinc/43/74/00/556437400.db2.gz UMZJLYNNEOEZGY-UHFFFAOYSA-N 1 0 449.492 4.405 40 0 IIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(I)cc3)CC2)c1 ZINC000039773537 556437826 /nfs/dbraw/zinc/43/78/26/556437826.db2.gz RQQAQMQAKGAXQC-UHFFFAOYSA-N 1 0 434.321 4.450 40 0 IIABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000032125159 556534228 /nfs/dbraw/zinc/53/42/28/556534228.db2.gz UKRDEYFULWKRKD-UHFFFAOYSA-N 1 0 437.396 4.262 40 0 IIABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1OC ZINC000044851748 556670757 /nfs/dbraw/zinc/67/07/57/556670757.db2.gz GGDBWQDSWFSQSX-UHFFFAOYSA-N 1 0 430.976 4.318 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)C[C@H]2O ZINC000019084457 556698488 /nfs/dbraw/zinc/69/84/88/556698488.db2.gz IKJLLNCWLKORQM-PKTZIBPZSA-N 1 0 425.569 4.377 40 0 IIABRO Cc1cc(-c2cnc(N3CC[NH+](Cc4ccccc4)CC3)nc2-c2cccnc2C)on1 ZINC000019124049 556702475 /nfs/dbraw/zinc/70/24/75/556702475.db2.gz REUBZCIGEFUUSF-UHFFFAOYSA-N 1 0 426.524 4.133 40 0 IIABRO Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)cc1 ZINC000019135451 556706113 /nfs/dbraw/zinc/70/61/13/556706113.db2.gz VWVQCGNSMJRCQH-HSZRJFAPSA-N 1 0 434.584 4.137 40 0 IIABRO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000257242601 556710723 /nfs/dbraw/zinc/71/07/23/556710723.db2.gz IDGVSHNPVOTVHE-MHZLTWQESA-N 1 0 429.564 4.283 40 0 IIABRO CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCC[N@H+](CCCC(=O)c3ccc(F)cc3)C2)C1 ZINC000019219472 556713753 /nfs/dbraw/zinc/71/37/53/556713753.db2.gz GCDMZJNFMVQIJJ-SANMLTNESA-N 1 0 438.543 4.373 40 0 IIABRO Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[nH]3)CC[N@@H+](C(C)C)C4)cc2c1 ZINC000019221145 556715422 /nfs/dbraw/zinc/71/54/22/556715422.db2.gz GIRGQYVMWNXUES-HSZRJFAPSA-N 1 0 445.567 4.091 40 0 IIABRO Cc1cccc2c1[nH]c([C@@H]1CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C1)c2-c1ccncc1 ZINC000019236508 556721124 /nfs/dbraw/zinc/72/11/24/556721124.db2.gz USHNZPHAQUHSDY-IFMALSPDSA-N 1 0 446.595 4.213 40 0 IIABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc(OCc3cccc(F)c3)cc1)C2 ZINC000019291387 556731376 /nfs/dbraw/zinc/73/13/76/556731376.db2.gz OOOMHEOJXSXHKI-KMXBQNHCSA-N 1 0 435.543 4.258 40 0 IIABRO O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019370758 556748229 /nfs/dbraw/zinc/74/82/29/556748229.db2.gz HOUXZYYBYRYRQU-DEOSSOPVSA-N 1 0 448.611 4.417 40 0 IIABRO CC(C)Oc1cccc(C[N@@H+]2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 ZINC000019450814 556761524 /nfs/dbraw/zinc/76/15/24/556761524.db2.gz YFXKUWYUJWKSRR-HHHXNRCGSA-N 1 0 429.564 4.456 40 0 IIABRO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000019456105 556765590 /nfs/dbraw/zinc/76/55/90/556765590.db2.gz BOJYNDITWNBKRV-ZBLYBZFDSA-N 1 0 428.580 4.318 40 0 IIABRO Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1CCC[NH+](C)C ZINC000001224067 556769251 /nfs/dbraw/zinc/76/92/51/556769251.db2.gz KZDUJPVBLFNXJL-SFHVURJKSA-N 1 0 438.601 4.028 40 0 IIABRO CCC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000019499319 556771169 /nfs/dbraw/zinc/77/11/69/556771169.db2.gz NOWPEOFLDJDBCM-RTWAWAEBSA-N 1 0 444.959 4.073 40 0 IIABRO CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CC[N@H+](Cc2cnc(CC)nc2)C1 ZINC000019523328 556780867 /nfs/dbraw/zinc/78/08/67/556780867.db2.gz LWHWNXGCFIUGCL-RUZDIDTESA-N 1 0 434.609 4.338 40 0 IIABRO CCCc1ncc(C[NH+]2CCC(c3cc4nc(CC)cc(C(F)(F)F)n4n3)CC2)cn1 ZINC000019525740 556783450 /nfs/dbraw/zinc/78/34/50/556783450.db2.gz XVMRRUFPTXKOSC-UHFFFAOYSA-N 1 0 432.494 4.433 40 0 IIABRO COc1cc2c(cc1C[N@@H+]1CC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C1)CCC2 ZINC000019550532 556795333 /nfs/dbraw/zinc/79/53/33/556795333.db2.gz ZGBFEULRVBEJIB-MUUNZHRXSA-N 1 0 441.575 4.166 40 0 IIABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1C ZINC000004231201 556820447 /nfs/dbraw/zinc/82/04/47/556820447.db2.gz DUCUZYYXVRYSCW-UHFFFAOYSA-N 1 0 426.948 4.394 40 0 IIABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000004231267 556820870 /nfs/dbraw/zinc/82/08/70/556820870.db2.gz ZSCYGKWYWBBLOM-UHFFFAOYSA-N 1 0 426.948 4.340 40 0 IIABRO COCc1ccc(OC)c(C[N@@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 ZINC000019584422 556821807 /nfs/dbraw/zinc/82/18/07/556821807.db2.gz XFVHVIMEGPBQQE-OAQYLSRUSA-N 1 0 447.583 4.139 40 0 IIABRO CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019591341 556826455 /nfs/dbraw/zinc/82/64/55/556826455.db2.gz TYYBXKZPJHLAOT-MHZLTWQESA-N 1 0 429.564 4.328 40 0 IIABRO CNc1ncccc1C[N@@H+]1CCC[C@](Cc2ccccc2-c2ccncc2)(C(=O)N(C)C)C1 ZINC000019592042 556827943 /nfs/dbraw/zinc/82/79/43/556827943.db2.gz OZAGVXJBVBSKQQ-HHHXNRCGSA-N 1 0 443.595 4.098 40 0 IIABRO COCC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000019593000 556829237 /nfs/dbraw/zinc/82/92/37/556829237.db2.gz QZJOSCJNGKZIPA-HHHXNRCGSA-N 1 0 429.564 4.465 40 0 IIABRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)CC1 ZINC000019689816 556844754 /nfs/dbraw/zinc/84/47/54/556844754.db2.gz SCSBFBBPDMNDGA-JOCHJYFZSA-N 1 0 439.579 4.133 40 0 IIABRO CC1CC[NH+](CCC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)CC1 ZINC000019690031 556845252 /nfs/dbraw/zinc/84/52/52/556845252.db2.gz NHISHZVHBZGHJB-JOCHJYFZSA-N 1 0 439.579 4.134 40 0 IIABRO COCCc1ncc(C[NH+]2CCC(c3ccc(Cc4ccc(OC)cc4)cn3)CC2)cn1 ZINC000019690396 556846302 /nfs/dbraw/zinc/84/63/02/556846302.db2.gz YPTMRTHRKTZQDF-UHFFFAOYSA-N 1 0 432.568 4.040 40 0 IIABRO COc1cccc(CN2CCCc3c(C)nc([C@H]4CCC[N@@H+](C5CCOCC5)C4)nc32)c1 ZINC000019706629 556864887 /nfs/dbraw/zinc/86/48/87/556864887.db2.gz WKQRNRSYXDNGDI-NRFANRHFSA-N 1 0 436.600 4.105 40 0 IIABRO COc1cc2c(cc1C[NH+]1CCC(Cc3ncncc3C(=O)NC3CCCC3)CC1)CCC2 ZINC000019757072 556901109 /nfs/dbraw/zinc/90/11/09/556901109.db2.gz CFKYGNRSRPIUQR-UHFFFAOYSA-N 1 0 448.611 4.101 40 0 IIABRO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019761763 556905313 /nfs/dbraw/zinc/90/53/13/556905313.db2.gz GUCDRAUADFALMD-NRFANRHFSA-N 1 0 439.563 4.185 40 0 IIABRO O=C(NCCO)c1cc([C@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)nc2ccccc21 ZINC000019761883 556905581 /nfs/dbraw/zinc/90/55/81/556905581.db2.gz IJJPUBDYKFRTIC-HNNXBMFYSA-N 1 0 444.362 4.253 40 0 IIABRO CNc1ncccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000072330517 556906200 /nfs/dbraw/zinc/90/62/00/556906200.db2.gz ZEPZIXAPDGWRED-XXBNENTESA-N 1 0 433.531 4.041 40 0 IIABRO CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2ccccn2)CC1 ZINC000072345166 556916505 /nfs/dbraw/zinc/91/65/05/556916505.db2.gz PMHHCMIPSAOFIB-UHFFFAOYSA-N 1 0 428.580 4.493 40 0 IIABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)cc1 ZINC000409058356 556935391 /nfs/dbraw/zinc/93/53/91/556935391.db2.gz XIRJXFZOSHFNBS-JLUQKLKGSA-O 1 0 426.540 4.135 40 0 IIABRO CCN(CC)C(=O)C[N@@H+]1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)N(C)C ZINC000072370713 556936341 /nfs/dbraw/zinc/93/63/41/556936341.db2.gz CSHFQXJEBBDEDD-GOSISDBHSA-N 1 0 429.630 4.259 40 0 IIABRO CCN(CC)C(=O)C[N@@H+]1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)N(C)C ZINC000072370714 556936408 /nfs/dbraw/zinc/93/64/08/556936408.db2.gz CSHFQXJEBBDEDD-SFHVURJKSA-N 1 0 429.630 4.259 40 0 IIABRO NC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000072370758 556936468 /nfs/dbraw/zinc/93/64/68/556936468.db2.gz KGPSYBMQRNWXLM-LJQANCHMSA-N 1 0 449.624 4.378 40 0 IIABRO Cc1c(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cnn1C ZINC000072371464 556939027 /nfs/dbraw/zinc/93/90/27/556939027.db2.gz FRUJQFNJRFTBAA-MRXNPFEDSA-N 1 0 433.478 4.081 40 0 IIABRO CCn1cc(C[N@@H+]2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000072371661 556940066 /nfs/dbraw/zinc/94/00/66/556940066.db2.gz KFTQCSVHKXLDCI-KRWDZBQOSA-N 1 0 433.478 4.256 40 0 IIABRO CC(C)N(C(=O)C[NH+]1CCC(c2ccc(Nc3ncccn3)cn2)CC1)C1CCCCC1 ZINC000072374334 556947880 /nfs/dbraw/zinc/94/78/80/556947880.db2.gz LVUIPNKAHMEODI-UHFFFAOYSA-N 1 0 436.604 4.364 40 0 IIABRO CCOC(=O)Cn1c(Cl)c(C[N@@H+]2C[C@@H](c3ccccc3)C3(CCCC3)C2)sc1=O ZINC000072389699 556959868 /nfs/dbraw/zinc/95/98/68/556959868.db2.gz YHFHJHLYYJIOKS-KRWDZBQOSA-N 1 0 434.989 4.286 40 0 IIABRO COc1ccccc1/C=C/C[NH+]1CCC([C@H](NC(=O)c2ccccn2)c2nccs2)CC1 ZINC000072394622 556966130 /nfs/dbraw/zinc/96/61/30/556966130.db2.gz JYKKCJZZRBWTJZ-DRGXBFSJSA-N 1 0 448.592 4.443 40 0 IIABRO CC[NH+](CC)CCCNC(=S)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000006193232 557148011 /nfs/dbraw/zinc/14/80/11/557148011.db2.gz VCVYBHQXXFCBJK-UHFFFAOYSA-N 1 0 440.613 4.038 40 0 IIABRO CN(Cc1ccc(F)cc1)c1ccc2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cn21 ZINC000096146168 557176677 /nfs/dbraw/zinc/17/66/77/557176677.db2.gz KLONBJPPKTVQLR-UHFFFAOYSA-N 1 0 434.559 4.415 40 0 IIABRO COc1cccc(-c2nc(-c3noc4ccc(C(=O)N5CCC([NH+](C)C)CC5)cc43)co2)c1 ZINC000096154349 557177937 /nfs/dbraw/zinc/17/79/37/557177937.db2.gz AQSJNGDUHSCXII-UHFFFAOYSA-N 1 0 446.507 4.325 40 0 IIABRO C[N@@H+]1CCCN(C(=O)c2cc(-c3csc(Cc4ccccc4)n3)n3ccccc23)CC1 ZINC000096154870 557178957 /nfs/dbraw/zinc/17/89/57/557178957.db2.gz REKVILMLOFSVAI-UHFFFAOYSA-N 1 0 430.577 4.431 40 0 IIABRO c1[nH]nc2cccc(C[C@@H]3COCC[N@@H+](Cc4ccccc4OCc4cccnc4)C3)c12 ZINC000585261963 557198014 /nfs/dbraw/zinc/19/80/14/557198014.db2.gz QSQMYDMVQZXZCX-NRFANRHFSA-N 1 0 428.536 4.228 40 0 IIABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3cccc(OCCCn4cccn4)c3)CC2)cc1 ZINC000585272674 557217271 /nfs/dbraw/zinc/21/72/71/557217271.db2.gz VJJYCZIJMXMNMN-HHHXNRCGSA-N 1 0 449.595 4.457 40 0 IIABRO CC(C)C[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057671232 557256820 /nfs/dbraw/zinc/25/68/20/557256820.db2.gz YDTHPZHTAIKNPY-FQEVSTJZSA-N 1 0 448.493 4.243 40 0 IIABRO COc1ccccc1[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022928577 557271644 /nfs/dbraw/zinc/27/16/44/557271644.db2.gz NTIYZILRYOGNGI-DEOSSOPVSA-N 1 0 438.620 4.227 40 0 IIABRO O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000221373111 557315224 /nfs/dbraw/zinc/31/52/24/557315224.db2.gz OUNNGEMOBLNPCH-UHFFFAOYSA-N 1 0 427.548 4.334 40 0 IIABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC1)O2 ZINC000013998267 557402991 /nfs/dbraw/zinc/40/29/91/557402991.db2.gz GDGZINJWZUMYRA-LEWJYISDSA-N 1 0 446.385 4.450 40 0 IIABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223259684 557452002 /nfs/dbraw/zinc/45/20/02/557452002.db2.gz UDTVWTLFUASAKS-SFTDATJTSA-N 1 0 425.989 4.060 40 0 IIABRO Cn1c(CN2CCc3ccccc3C2)cc(=O)c(O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000096116290 557837933 /nfs/dbraw/zinc/83/79/33/557837933.db2.gz HJEJCUCBSCBGCE-CUNXSJBXSA-N 1 0 435.612 4.050 40 0 IIABRO Cc1ccccc1C[N@@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000585262278 568616381 /nfs/dbraw/zinc/61/63/81/568616381.db2.gz UNRPJBMLBJSRLS-LUKWVAJMSA-N 1 0 444.547 4.040 40 0 IIABRO Cc1nccn1CCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)c1 ZINC000585270931 568617828 /nfs/dbraw/zinc/61/78/28/568617828.db2.gz DRUOEOMSRCZPHD-HHHXNRCGSA-N 1 0 449.595 4.375 40 0 IIABRO Cc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585274777 568618602 /nfs/dbraw/zinc/61/86/02/568618602.db2.gz ZLLRMFRKRUBJCV-MHZLTWQESA-N 1 0 449.595 4.375 40 0 IIABRO CC[NH+]1CCC(C(=O)N2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)CC1 ZINC000257248594 568687900 /nfs/dbraw/zinc/68/79/00/568687900.db2.gz JEIZGWKPEPZNGB-JTHBVZDNSA-N 1 0 426.601 4.276 40 0 IIABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)CCc3c(C)nc(N)nc3C)C2)[nH+]1 ZINC000257275673 568700236 /nfs/dbraw/zinc/70/02/36/568700236.db2.gz NQJXWHZDAIHSAO-SFHVURJKSA-N 1 0 448.546 4.210 40 0 IIABRO COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCC[NH+]3CCCC3)CCOCC2)cc1 ZINC000257277492 568701232 /nfs/dbraw/zinc/70/12/32/568701232.db2.gz NYEJOWSJGSCCCG-UHFFFAOYSA-N 1 0 440.559 4.053 40 0 IIABRO Cc1cc(Nc2nccs2)cc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)n(C)c(=O)n4C)C2)n1 ZINC000257285396 568704479 /nfs/dbraw/zinc/70/44/79/568704479.db2.gz PGWPNFPVADNRNI-SFHVURJKSA-N 1 0 448.596 4.160 40 0 IIABRO CCOc1cc2c(cc1C[NH+]1CCC(c3cncc(Nc4cnccn4)n3)CC1)O[C@@H](C)C2 ZINC000257300669 568711540 /nfs/dbraw/zinc/71/15/40/568711540.db2.gz RVGDJIVCNQNXQK-KRWDZBQOSA-N 1 0 446.555 4.112 40 0 IIABRO C[C@]1(O)CCN(CC(=O)Nc2ccc3c(c2)CCCC3)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257301504 568711969 /nfs/dbraw/zinc/71/19/69/568711969.db2.gz RYTOFDUPLLPVGQ-UPVQGACJSA-N 1 0 428.960 4.062 40 0 IIABRO Cc1c(F)cccc1NC(=O)CN1CC[C@@](O)(CC(C)C)[C@@H](Oc2ccc(F)cc2)C1 ZINC000257308326 568714644 /nfs/dbraw/zinc/71/46/44/568714644.db2.gz TWHZTWSSFUGTKF-LADGPHEKSA-N 1 0 432.511 4.142 40 0 IIABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2cccs2)C[C@]12CCCN(Cc1ccccn1)C2=O ZINC000306127762 568764916 /nfs/dbraw/zinc/76/49/16/568764916.db2.gz GGVGRLPUXMVVTD-WIOPSUGQSA-N 1 0 449.624 4.329 40 0 IIABRO Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2CC[NH+]2CCCC2)o1 ZINC000306128008 568764972 /nfs/dbraw/zinc/76/49/72/568764972.db2.gz GNQKJGLGANSCHJ-UHFFFAOYSA-N 1 0 446.551 4.071 40 0 IIABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 ZINC000306130527 568766198 /nfs/dbraw/zinc/76/61/98/568766198.db2.gz JIXJFMVXUNTGMK-AZGAKELHSA-N 1 0 447.966 4.132 40 0 IIABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306130846 568766310 /nfs/dbraw/zinc/76/63/10/568766310.db2.gz JRBQZPIJVRJBOH-OZXSUGGESA-N 1 0 447.558 4.016 40 0 IIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5cccnc5OC)C4)nn3c2)c1 ZINC000306143602 568773498 /nfs/dbraw/zinc/77/34/98/568773498.db2.gz YGSVMJBMBSLJNU-FQEVSTJZSA-N 1 0 429.524 4.188 40 0 IIABRO CCc1ccc(OC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095863087 568792159 /nfs/dbraw/zinc/79/21/59/568792159.db2.gz ALFVVFKLZQDENL-AREMUKBSSA-N 1 0 430.592 4.396 40 0 IIABRO Cc1ccc(C)c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC[NH+](C)C)n2)c1 ZINC000328981195 568808355 /nfs/dbraw/zinc/80/83/55/568808355.db2.gz GSOSAMJYZUEHPI-UHFFFAOYSA-N 1 0 445.489 4.220 40 0 IIABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)c1 ZINC000019551499 569227085 /nfs/dbraw/zinc/22/70/85/569227085.db2.gz PNFINCDYPJJPDZ-NBGIEHNGSA-N 1 0 437.584 4.359 40 0 IIABRO COc1ccc(NC(=O)[C@@H]2C[C@@H](C3CCN(Cc4ccc(F)c(F)c4)CC3)[N@H+](C)C2)cc1 ZINC000019587644 569227168 /nfs/dbraw/zinc/22/71/68/569227168.db2.gz JRHLZFNEQBHRMP-DVECYGJZSA-N 1 0 443.538 4.144 40 0 IIABRO Cc1ccc(-c2cc(C[C@@]3(C(=O)NCC(C)C)CCC[N@@H+]3Cc3ccncc3)on2)cc1 ZINC000019696505 569229786 /nfs/dbraw/zinc/22/97/86/569229786.db2.gz KPVPCPASNRDWIQ-AREMUKBSSA-N 1 0 432.568 4.395 40 0 IIABRO C[C@H]1CC[C@@H]2[N@@H+](C[C@@H]3[C@@H]4C[C@H]5[C@H](CC(=O)[C@H]6CC(=O)CC[C@]56C)[C@@H]4CC[C@@H]3[C@]2(C)O)C1 ZINC000070665691 569315207 /nfs/dbraw/zinc/31/52/07/569315207.db2.gz HIDAYMRWVVNXAO-NXGJOZORSA-N 1 0 427.629 4.095 40 0 biogenic IIABRO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)c1 ZINC000019687683 569326353 /nfs/dbraw/zinc/32/63/53/569326353.db2.gz FLZVXWWNSUIFGY-HSZRJFAPSA-N 1 0 445.567 4.044 40 0 IIABRO CC(C)(C)C(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)C1(C)C ZINC000067890167 291378519 /nfs/dbraw/zinc/37/85/19/291378519.db2.gz LRIPRECIBRARGO-XXBNENTESA-N 1 0 438.616 4.116 40 0 biogenic,in-vitro IIABRO CCOc1ccc([C@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCCC3)cc1 ZINC000022408038 521278199 /nfs/dbraw/zinc/27/81/99/521278199.db2.gz LTTWYKAMTWXLSW-JOCHJYFZSA-N 1 0 430.366 4.498 40 0 IIABRO CCCN1CN(c2ccccc2)C2(CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000001640741 555707883 /nfs/dbraw/zinc/70/78/83/555707883.db2.gz JDQUIRXNINRFHQ-UHFFFAOYSA-N 1 0 437.559 4.340 40 0 IIABRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000030939265 556515938 /nfs/dbraw/zinc/51/59/38/556515938.db2.gz OPLZCLLIYJDASL-IBGZPJMESA-N 1 0 443.613 4.201 40 0 IIABRO O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CCN(C2CC[NH2+]CC2)CC1 ZINC000584906210 556664376 /nfs/dbraw/zinc/66/43/76/556664376.db2.gz LWMLVHLUGJWFLP-UHFFFAOYSA-N 1 0 438.538 4.230 40 0 IIABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000044851750 556670770 /nfs/dbraw/zinc/67/07/70/556670770.db2.gz TWQFEFXSKDDHGA-UHFFFAOYSA-N 1 0 430.976 4.318 40 0 IIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc2)C1 ZINC000260380188 556691564 /nfs/dbraw/zinc/69/15/64/556691564.db2.gz HSOCHOQVWBUVMJ-DENIHFKCSA-N 1 0 435.568 4.080 40 0 IIABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000019021153 556693646 /nfs/dbraw/zinc/69/36/46/556693646.db2.gz KVGZCZROBDPGDN-UHFFFAOYSA-N 1 0 433.527 4.427 40 0 IIABRO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CO2 ZINC000019081775 556696402 /nfs/dbraw/zinc/69/64/02/556696402.db2.gz HREILENEUGTJQZ-CJFMBICVSA-N 1 0 449.595 4.482 40 0 IIABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019084442 556698537 /nfs/dbraw/zinc/69/85/37/556698537.db2.gz NSQZLUIKOWJEHY-DHIUTWEWSA-N 1 0 425.569 4.377 40 0 IIABRO COc1ccccc1-c1cccc(CC2(C(=O)NCCC[NH+]3CCCC3)CCOCC2)c1 ZINC000257314186 556703548 /nfs/dbraw/zinc/70/35/48/556703548.db2.gz UVRHPBCTWMDTEU-UHFFFAOYSA-N 1 0 436.596 4.304 40 0 IIABRO COc1ccc(C)cc1C[NH+]1CCC([C@@H](NC(=O)c2ccccn2)c2nccs2)CC1 ZINC000019133336 556705100 /nfs/dbraw/zinc/70/51/00/556705100.db2.gz XHDXTXPLVQBOOM-JOCHJYFZSA-N 1 0 436.581 4.238 40 0 IIABRO Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)cc1 ZINC000019209755 556708873 /nfs/dbraw/zinc/70/88/73/556708873.db2.gz YFYVYJYFHUIIRS-XMMPIXPASA-N 1 0 448.611 4.065 40 0 IIABRO COc1ccccc1-c1cccc(CC2(C(=O)NC[C@H]3CCC[N@H+](C)C3)CCOCC2)c1 ZINC000257231818 556709274 /nfs/dbraw/zinc/70/92/74/556709274.db2.gz GIHURWAXKOLCQQ-JOCHJYFZSA-N 1 0 436.596 4.160 40 0 IIABRO CC(=O)N(C)[C@H]1CCOC2(CC[NH+](Cc3ccccc3OCc3cccc(F)c3)CC2)C1 ZINC000257262572 556712638 /nfs/dbraw/zinc/71/26/38/556712638.db2.gz LLYNVXYOQMUUTQ-DEOSSOPVSA-N 1 0 440.559 4.397 40 0 IIABRO Cc1cccc(C[N@H+]2CC[C@@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)n1 ZINC000019236141 556720850 /nfs/dbraw/zinc/72/08/50/556720850.db2.gz MSIGIGUTPKOZCE-MHZLTWQESA-N 1 0 428.580 4.411 40 0 IIABRO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ncccc2C)C1 ZINC000019237790 556722845 /nfs/dbraw/zinc/72/28/45/556722845.db2.gz IRSHULNKOTXEDY-NLFFAJNJSA-N 1 0 430.552 4.177 40 0 IIABRO O=C(C=Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019368493 556746655 /nfs/dbraw/zinc/74/66/55/556746655.db2.gz LGXBWKCUEZNPJY-YAOQVBECSA-N 1 0 432.568 4.250 40 0 IIABRO Oc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000019374124 556750635 /nfs/dbraw/zinc/75/06/35/556750635.db2.gz FYVXUOWXUSIGAV-DQEYMECFSA-N 1 0 431.532 4.443 40 0 IIABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc3nccnc3c2)C1)c1cccs1 ZINC000019400626 556753269 /nfs/dbraw/zinc/75/32/69/556753269.db2.gz LEHFGDXBKSYYEZ-YADARESESA-N 1 0 443.576 4.470 40 0 IIABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCC[N@H+](Cc2cnc(N)nc2)C1 ZINC000019448957 556759001 /nfs/dbraw/zinc/75/90/01/556759001.db2.gz UNHQNBJLJUQOEC-VWLOTQADSA-N 1 0 449.624 4.137 40 0 IIABRO CCC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000019499322 556771216 /nfs/dbraw/zinc/77/12/16/556771216.db2.gz NOWPEOFLDJDBCM-LEWJYISDSA-N 1 0 444.959 4.073 40 0 IIABRO CCc1c(C)noc1-c1snnc1C1CC[NH+](Cc2ccc(COC(C)=O)o2)CC1 ZINC000019521799 556778567 /nfs/dbraw/zinc/77/85/67/556778567.db2.gz WHNGWGLPYRYYAW-UHFFFAOYSA-N 1 0 430.530 4.100 40 0 IIABRO CCc1ncc(C[N@@H+]2CC[C@](Cc3ccc(-c4ccccc4)cc3)(C(=O)N(C)C)C2)cn1 ZINC000019523313 556780436 /nfs/dbraw/zinc/78/04/36/556780436.db2.gz KCQCSLJCIFBUDQ-HHHXNRCGSA-N 1 0 428.580 4.229 40 0 IIABRO CCc1ncc(C[N@@H+]2CC[C@](Cc3cccc(-c4cccs4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019523323 556780847 /nfs/dbraw/zinc/78/08/47/556780847.db2.gz PWPOLOHODYYOAK-RUZDIDTESA-N 1 0 434.609 4.291 40 0 IIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3cc(NC(C)C)nc(-c4cnc(C)s4)n3)C2)cn1 ZINC000019524912 556782308 /nfs/dbraw/zinc/78/23/08/556782308.db2.gz KGPDSWREQOSGAA-GOSISDBHSA-N 1 0 425.606 4.325 40 0 IIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3cc(NC(C)C)nc(-c4cnc(C)s4)n3)C2)cn1 ZINC000019524913 556782369 /nfs/dbraw/zinc/78/23/69/556782369.db2.gz KGPDSWREQOSGAA-SFHVURJKSA-N 1 0 425.606 4.325 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1OC ZINC000019533798 556793654 /nfs/dbraw/zinc/79/36/54/556793654.db2.gz OFJQSVCJCGQEHM-OAQYLSRUSA-N 1 0 447.583 4.392 40 0 IIABRO COc1ccc([C@H]2CN(C(=O)C3CCC3)[C@@H]3CC[N@H+](Cc4cccc(OC)c4)C[C@@H]32)cc1 ZINC000019557730 556799749 /nfs/dbraw/zinc/79/97/49/556799749.db2.gz XUODFCWFLWUUSP-TWJOJJKGSA-N 1 0 434.580 4.320 40 0 IIABRO Cc1scc(C(=O)NC2CC[NH+](Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c1C ZINC000019561937 556803242 /nfs/dbraw/zinc/80/32/42/556803242.db2.gz GVSJVDIOFASNTP-UHFFFAOYSA-N 1 0 426.561 4.299 40 0 IIABRO COc1cccc(C[NH+]2CCC([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)c1 ZINC000019564848 556805843 /nfs/dbraw/zinc/80/58/43/556805843.db2.gz JWCIWJSVYAPOMW-HHHXNRCGSA-N 1 0 429.564 4.402 40 0 IIABRO COc1cccc(C[NH+]2CCC([C@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)c1 ZINC000019564851 556805914 /nfs/dbraw/zinc/80/59/14/556805914.db2.gz JWCIWJSVYAPOMW-MHZLTWQESA-N 1 0 429.564 4.402 40 0 IIABRO COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)c1 ZINC000019565432 556806142 /nfs/dbraw/zinc/80/61/42/556806142.db2.gz DXWGVFBKKWAWRE-HJOGWXRNSA-N 1 0 433.577 4.282 40 0 IIABRO COc1cccc(C[NH+]2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)c1OC ZINC000019567673 556807866 /nfs/dbraw/zinc/80/78/66/556807866.db2.gz FVENBEYOYWRODG-UHFFFAOYSA-N 1 0 441.553 4.063 40 0 IIABRO Cc1cc(C(=O)N2CCC(O)(C[N@@H+]3CCCC[C@H]3c3cccnc3)CC2)c2ccccc2n1 ZINC000019569427 556809359 /nfs/dbraw/zinc/80/93/59/556809359.db2.gz CDYSUKCWMVLCMC-VWLOTQADSA-N 1 0 444.579 4.133 40 0 IIABRO Cc1cc(C[N@H+]2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(-c4cccs4)ccc2=O)C3)cs1 ZINC000019572044 556812351 /nfs/dbraw/zinc/81/23/51/556812351.db2.gz IXEPNGLWRNODOF-LIMIJEPZSA-N 1 0 441.622 4.290 40 0 IIABRO CCCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCC[N@@H+]1CC ZINC000004217055 556821394 /nfs/dbraw/zinc/82/13/94/556821394.db2.gz RHYWVDWRGBLPLS-OAQYLSRUSA-N 1 0 428.646 4.106 40 0 IIABRO COCc1ccc(OC)c(C[N@@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 ZINC000019584424 556821995 /nfs/dbraw/zinc/82/19/95/556821995.db2.gz XFVHVIMEGPBQQE-NRFANRHFSA-N 1 0 447.583 4.139 40 0 IIABRO COc1cccc(OC)c1C[NH+]1CCC(c2cc(N(C)C)nc(-c3ccncc3)n2)CC1 ZINC000019584608 556822199 /nfs/dbraw/zinc/82/21/99/556822199.db2.gz BOULYTDUPBPGGT-UHFFFAOYSA-N 1 0 433.556 4.001 40 0 IIABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000019591291 556826409 /nfs/dbraw/zinc/82/64/09/556826409.db2.gz ZXNDDWZUJXCHDJ-MHZLTWQESA-N 1 0 429.564 4.328 40 0 IIABRO COc1cccc(C[NH+]2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)c1OC ZINC000019700338 556859823 /nfs/dbraw/zinc/85/98/23/556859823.db2.gz MVADDRMPBFZSSO-UHFFFAOYSA-N 1 0 445.563 4.076 40 0 IIABRO Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CC[NH+](Cc5ccccn5)CC4)nc32)cc1 ZINC000019703741 556862136 /nfs/dbraw/zinc/86/21/36/556862136.db2.gz QBAHWSPWNOSAQE-UHFFFAOYSA-N 1 0 441.579 4.347 40 0 IIABRO Cc1ccccc1C[NH+]1CCC(c2nc(C)c3c(n2)N(Cc2ccccn2)C(=O)CC3)CC1 ZINC000019739410 556877774 /nfs/dbraw/zinc/87/77/74/556877774.db2.gz BGOWMZDMRCEBOS-UHFFFAOYSA-N 1 0 441.579 4.347 40 0 IIABRO O=C1N[C@]2(COC3(C2)CC[NH+](Cc2ccc(Cl)cc2)CC3)Nc2ccc(Cl)cc21 ZINC000072325575 556902934 /nfs/dbraw/zinc/90/29/34/556902934.db2.gz PZGVUGMIEUTYHJ-JOCHJYFZSA-N 1 0 432.351 4.300 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cc1 ZINC000072330468 556905907 /nfs/dbraw/zinc/90/59/07/556905907.db2.gz BUOPIQIXEGJGMJ-HOFKKMOUSA-N 1 0 429.564 4.402 40 0 IIABRO CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2cccnc2)CC1 ZINC000072345042 556916621 /nfs/dbraw/zinc/91/66/21/556916621.db2.gz QJOPVTLUJXYCBO-UHFFFAOYSA-N 1 0 428.580 4.495 40 0 IIABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000072359214 556932055 /nfs/dbraw/zinc/93/20/55/556932055.db2.gz ISSOANAQERAUTK-GOSISDBHSA-N 1 0 432.490 4.210 40 0 IIABRO COc1ccc(C[NH+]2CCC([C@]3(C)CCCCN(C)C3=O)CC2)cc1Cn1ccnc1C ZINC000072372049 556941581 /nfs/dbraw/zinc/94/15/81/556941581.db2.gz VBNYPTLVJCAHBU-SANMLTNESA-N 1 0 438.616 4.109 40 0 IIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)COc4ccccc4)C3)c2)n1 ZINC000072374879 556949452 /nfs/dbraw/zinc/94/94/52/556949452.db2.gz MTDBTLFZQAUWRT-HXUWFJFHSA-N 1 0 431.540 4.325 40 0 IIABRO CN(CCO)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1cccnc1 ZINC000072380066 556957301 /nfs/dbraw/zinc/95/73/01/556957301.db2.gz YBCONFGIYLFRGP-HXUWFJFHSA-N 1 0 437.609 4.348 40 0 IIABRO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000072388998 556959056 /nfs/dbraw/zinc/95/90/56/556959056.db2.gz BOJYNDITWNBKRV-IDISGSTGSA-N 1 0 428.580 4.318 40 0 IIABRO Cc1nn2cccnc2c1C(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393407 556964845 /nfs/dbraw/zinc/96/48/45/556964845.db2.gz YDAPWHMIFGBETN-UHFFFAOYSA-N 1 0 437.975 4.007 40 0 IIABRO Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@H](C)C[NH+]4CCOCC4)C3)c(-c3ccncc3)c2c1 ZINC000072396800 556969741 /nfs/dbraw/zinc/96/97/41/556969741.db2.gz QFFSHVZPXSHDER-IFMALSPDSA-N 1 0 446.595 4.213 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(F)c1 ZINC000072398673 556970768 /nfs/dbraw/zinc/97/07/68/556970768.db2.gz CAXKFEMWOMWQSU-DVECYGJZSA-N 1 0 434.515 4.008 40 0 IIABRO Cc1nc2cc([C@@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000257310166 557003654 /nfs/dbraw/zinc/00/36/54/557003654.db2.gz UDYHQPIBEFZRHE-NQIIRXRSSA-N 1 0 445.558 4.153 40 0 IIABRO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000005196732 557077134 /nfs/dbraw/zinc/07/71/34/557077134.db2.gz DTRPRDLTKSXMEC-OWJWWREXSA-N 1 0 427.545 4.192 40 0 IIABRO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101319375 557123222 /nfs/dbraw/zinc/12/32/22/557123222.db2.gz XTHGZECHEVHMIA-SFHVURJKSA-N 1 0 435.833 4.304 40 0 IIABRO CC[NH+](CC)CCCNC(=S)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000006193115 557148185 /nfs/dbraw/zinc/14/81/85/557148185.db2.gz KAVGIIRSGCQLSD-UHFFFAOYSA-N 1 0 442.673 4.496 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NC1CCCCC1 ZINC000006193440 557148348 /nfs/dbraw/zinc/14/83/48/557148348.db2.gz RZVUNAGFZGFMIH-UHFFFAOYSA-N 1 0 428.646 4.188 40 0 IIABRO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000096081042 557168467 /nfs/dbraw/zinc/16/84/67/557168467.db2.gz GLPYKWJDLFIUBY-WMPKNSHKSA-N 1 0 446.616 4.212 40 0 IIABRO CCN(CC[NH+](C)C)C(=O)c1cnc(-c2noc3cc(N4CCC(C)CC4)ccc32)s1 ZINC000096154580 557178608 /nfs/dbraw/zinc/17/86/08/557178608.db2.gz IZGNTPINKZLUBR-UHFFFAOYSA-N 1 0 441.601 4.211 40 0 IIABRO Cc1ccn(CCOc2ccc(C[NH+]3CCC(O)(COc4ccc(C)cc4C)CC3)cc2)n1 ZINC000585273514 557215930 /nfs/dbraw/zinc/21/59/30/557215930.db2.gz OSRUUVAKZMHCHJ-UHFFFAOYSA-N 1 0 449.595 4.293 40 0 IIABRO Cc1ccc(OCC2(O)CC[NH+](Cc3cccc(OCC[NH+]4CCCCC4)c3)CC2)cc1 ZINC000585280572 557220489 /nfs/dbraw/zinc/22/04/89/557220489.db2.gz PQSTVQAIYIXLJO-UHFFFAOYSA-N 1 0 438.612 4.266 40 0 IIABRO CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000219424901 557244641 /nfs/dbraw/zinc/24/46/41/557244641.db2.gz NCRAAAOKMGEAAL-UHFFFAOYSA-N 1 0 442.922 4.400 40 0 IIABRO CC[NH+](CC)CCCNc1nc(-c2ccncc2)nc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000057743631 557258050 /nfs/dbraw/zinc/25/80/50/557258050.db2.gz NKQKLFUMHALCPP-UHFFFAOYSA-N 1 0 448.590 4.380 40 0 IIABRO O=C(NCc1nc(-c2ccccc2Cl)no1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222600148 557359068 /nfs/dbraw/zinc/35/90/68/557359068.db2.gz DAXYBFSABZXFST-MRXNPFEDSA-N 1 0 428.895 4.058 40 0 IIABRO COc1cccc(-c2cnc(N)nc2[C@H]2CCCC[N@@H+]2Cc2ccc3nccnc3c2)c1 ZINC000072377124 557389402 /nfs/dbraw/zinc/38/94/02/557389402.db2.gz JRCCMKWXKDJPSW-HSZRJFAPSA-N 1 0 426.524 4.405 40 0 IIABRO COc1ccc2cc(S(=O)(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)ccc2c1 ZINC000223136716 557437594 /nfs/dbraw/zinc/43/75/94/557437594.db2.gz WUZFRSTUHKOCDK-UHFFFAOYSA-N 1 0 426.538 4.122 40 0 IIABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1(c2ccc(F)cc2)CCOCC1 ZINC000225574418 557745489 /nfs/dbraw/zinc/74/54/89/557745489.db2.gz RICHZMJXAFJXDR-UHFFFAOYSA-N 1 0 426.532 4.377 40 0 IIABRO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC(C)(C)C1 ZINC000034171015 557810979 /nfs/dbraw/zinc/81/09/79/557810979.db2.gz JPXOJNVGGPAPIF-WMQCIHAUSA-N 1 0 428.539 4.420 40 0 IIABRO COc1ccc(CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(CC3CCCCC3)on2)cc1 ZINC000015673681 560230744 /nfs/dbraw/zinc/23/07/44/560230744.db2.gz GYFPCISJAYLARE-VXKWHMMOSA-N 1 0 439.600 4.281 40 0 biogenic,in-vitro IIABRO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3ccc(OCc4nccn4C)cc3)CC2)cc1 ZINC000585270002 568616684 /nfs/dbraw/zinc/61/66/84/568616684.db2.gz AMFRDXIPLMHDHQ-AREMUKBSSA-N 1 0 435.568 4.104 40 0 IIABRO COCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585271191 568617805 /nfs/dbraw/zinc/61/78/05/568617805.db2.gz TWVNXUOQWDABFF-DEOSSOPVSA-N 1 0 449.975 4.088 40 0 IIABRO CCOCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585274667 568618448 /nfs/dbraw/zinc/61/84/48/568618448.db2.gz ZHDXZJTWQYDWIV-DEOSSOPVSA-N 1 0 433.976 4.470 40 0 IIABRO CC(=O)N1CC[N@@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585288045 568619268 /nfs/dbraw/zinc/61/92/68/568619268.db2.gz UXLNYAZRNVSQDB-DNRQZRRGSA-N 1 0 434.596 4.013 40 0 IIABRO Cc1cccc(Nc2cccc([C@H]3CN(C(=O)CC4=CC(C)(C)[NH2+]C(C)(C)C4)CCO3)n2)n1 ZINC000257200083 568665043 /nfs/dbraw/zinc/66/50/43/568665043.db2.gz ABXHSEMQMPMKEU-OAQYLSRUSA-N 1 0 449.599 4.296 40 0 IIABRO COc1ccc(CN(C)CC(=O)N2CCC(c3cccc(Nc4ccccn4)n3)CC2)cc1 ZINC000257202616 568666509 /nfs/dbraw/zinc/66/65/09/568666509.db2.gz AMQDBJZXQOKJKC-UHFFFAOYSA-N 1 0 445.567 4.067 40 0 IIABRO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000257216235 568672646 /nfs/dbraw/zinc/67/26/46/568672646.db2.gz CTQSFLYKSWSYGK-HXUWFJFHSA-N 1 0 431.540 4.072 40 0 IIABRO CC(=O)N1CCC([NH+]2CCC3(CC2)CO[C@@H]2c4ccc(C)cc4OC(C)(C)[C@H]2C3)CC1 ZINC000257222853 568675468 /nfs/dbraw/zinc/67/54/68/568675468.db2.gz DUXFVMOGVPKQDB-LADGPHEKSA-N 1 0 426.601 4.337 40 0 IIABRO COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)CC[NH+]4CCCC4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257239319 568683412 /nfs/dbraw/zinc/68/34/12/568683412.db2.gz HOTVVDKZSFURHF-XUZZJYLKSA-N 1 0 442.600 4.039 40 0 IIABRO O=C(c1cccc(OCC[NH+]2CCCC2)c1)N1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000257244837 568686100 /nfs/dbraw/zinc/68/61/00/568686100.db2.gz INALZPBSLBDSMZ-OCYIUTNCSA-N 1 0 434.580 4.229 40 0 IIABRO Cc1n[nH]cc1C[NH+]1CCC(COc2ccccc2)(CC(=O)N(C)Cc2ccccc2)CC1 ZINC000257251098 568689095 /nfs/dbraw/zinc/68/90/95/568689095.db2.gz JPJCPVOMQXVRBI-UHFFFAOYSA-N 1 0 446.595 4.428 40 0 IIABRO CC1(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CC[NH+](CCc2ccccc2)CC1 ZINC000257281830 568703083 /nfs/dbraw/zinc/70/30/83/568703083.db2.gz ORENXJLWOGXAFO-TWJOJJKGSA-N 1 0 432.608 4.362 40 0 IIABRO Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257291601 568707662 /nfs/dbraw/zinc/70/76/62/568707662.db2.gz QHUBKBWYZHHISU-MRXNPFEDSA-N 1 0 430.505 4.056 40 0 IIABRO CC(C)c1ccc(C[NH+]2CCC(c3nnc([C@H]4CCCCN4S(C)(=O)=O)o3)CC2)cc1 ZINC000257296952 568710158 /nfs/dbraw/zinc/71/01/58/568710158.db2.gz RFDMKASXHSOBDQ-OAQYLSRUSA-N 1 0 446.617 4.059 40 0 IIABRO Cc1nc(N(C)C)cc([C@@]2(C)CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000257317271 568718993 /nfs/dbraw/zinc/71/89/93/568718993.db2.gz VJBZBJSQRGPLPF-SANMLTNESA-N 1 0 431.584 4.379 40 0 IIABRO COc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCN(Cc4ccccn4)C(=O)C[C@@H]23)cc1 ZINC000306124296 568763232 /nfs/dbraw/zinc/76/32/32/568763232.db2.gz BMEVGTMXBBBJPZ-IAPPQJPRSA-N 1 0 441.575 4.425 40 0 IIABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5cccnc5)C4)nn3c2)c1OC ZINC000306133047 568767576 /nfs/dbraw/zinc/76/75/76/568767576.db2.gz MACMWYSPAJSYLV-HXUWFJFHSA-N 1 0 429.524 4.188 40 0 IIABRO COc1ccc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(CCN(CCc4ccccc4)C3=O)C2)cc1 ZINC000306133289 568767718 /nfs/dbraw/zinc/76/77/18/568767718.db2.gz MHQZJPCQMZSRLV-IXCJQBJRSA-N 1 0 441.575 4.151 40 0 IIABRO O=C1N(Cc2cccnc2)CC[C@@]12C[N@H+](Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 ZINC000306133074 568767735 /nfs/dbraw/zinc/76/77/35/568767735.db2.gz MAWXXDZJNFFLJW-ZCYQVOJMSA-N 1 0 432.955 4.148 40 0 IIABRO COc1ccccc1-c1ccc2c([C@@H]3C[N@H+](Cc4ccc(C)s4)CCN3C)nnn2c1 ZINC000306133997 568768167 /nfs/dbraw/zinc/76/81/67/568768167.db2.gz NBIZKLZRWYQCCY-QFIPXVFZSA-N 1 0 433.581 4.264 40 0 IIABRO COCCn1ccc2c1cccc2C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199207 568921881 /nfs/dbraw/zinc/92/18/81/568921881.db2.gz WPYRGFYFQPALLS-MIUUGJTFSA-N 1 0 433.596 4.323 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCCN(Cc3cccc(F)c3F)C2)[N@H+](C)C1 ZINC000248156528 569207442 /nfs/dbraw/zinc/20/74/42/569207442.db2.gz VXNUDOAHEVKNRV-KPLVRAHFSA-N 1 0 443.538 4.144 40 0 IIABRO O=C(NCCC[NH+]1CCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000010277047 569222063 /nfs/dbraw/zinc/22/20/63/569222063.db2.gz YDEIOUKNQWIBOT-VWLOTQADSA-N 1 0 437.609 4.067 40 0 IIABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCc1ccccc1[C@@H]2NC(=O)C(C)C ZINC000019086184 569226107 /nfs/dbraw/zinc/22/61/07/569226107.db2.gz NDQNERDUFDHKSZ-VBOOUTDYSA-N 1 0 447.623 4.089 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCCN(Cc3cc(F)ccc3F)C2)[N@H+](C)C1 ZINC000019587522 569227310 /nfs/dbraw/zinc/22/73/10/569227310.db2.gz UVHMCUBZXAOWPH-BOCKYXSRSA-N 1 0 443.538 4.144 40 0 IIABRO CC1CC[NH+](CCC(=O)N2CC[C@H](c3ccc4c(NCc5ccccc5)n[nH]c4n3)C2)CC1 ZINC000019705121 569234019 /nfs/dbraw/zinc/23/40/19/569234019.db2.gz ONXRSAMWVTWVKE-NRFANRHFSA-N 1 0 446.599 4.008 40 0 IIABRO COc1ccc(OCc2sc([C@@]3(O)CCC[N@H+](CC4=CCCOC4)CC3)nc2C)cc1 ZINC000019705372 569234110 /nfs/dbraw/zinc/23/41/10/569234110.db2.gz JWYSFIMQURNGGB-XMMPIXPASA-N 1 0 444.597 4.059 40 0 IIABRO Cc1nc2sccn2c1C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F ZINC000019713867 569235723 /nfs/dbraw/zinc/23/57/23/569235723.db2.gz WPRMEGGLGLBWDL-UXHICEINSA-N 1 0 426.561 4.389 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765502 569238834 /nfs/dbraw/zinc/23/88/34/569238834.db2.gz DJQDICGVYSVKNG-FQEVSTJZSA-N 1 0 436.506 4.373 40 0 IIABRO COc1ccc(C[NH+]2CCC(c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)CC2)cc1 ZINC000019766580 569239429 /nfs/dbraw/zinc/23/94/29/569239429.db2.gz VMNSCRLGWUEKKV-UHFFFAOYSA-N 1 0 448.542 4.242 40 0 IIABRO CNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000019700161 569326983 /nfs/dbraw/zinc/32/69/83/569326983.db2.gz XNTFHCOVUKGXBR-UHFFFAOYSA-N 1 0 429.564 4.328 40 0 IIABRO CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000019700480 569327204 /nfs/dbraw/zinc/32/72/04/569327204.db2.gz LBQTVLOAPXHKTH-UHFFFAOYSA-N 1 0 429.564 4.328 40 0 IIABRO Cc1cc(Br)ccc1Nc1cc(-c2ccncc2)nc(NCCC[NH+](C)C)n1 ZINC000329018893 569583235 /nfs/dbraw/zinc/58/32/35/569583235.db2.gz NTKAHOLVFIYCAZ-UHFFFAOYSA-N 1 0 441.377 4.717 40 0 IIABRO Cc1cc(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)ccc1Br ZINC000328973161 569583965 /nfs/dbraw/zinc/58/39/65/569583965.db2.gz DZOBCFOJJPPRNG-UHFFFAOYSA-N 1 0 441.377 4.717 40 0 IIABRO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCCN4Cc4ccco4)n3)cn2)cc1 ZINC000049155214 291383221 /nfs/dbraw/zinc/38/32/21/291383221.db2.gz UHVTUXBULGHGNE-FQEVSTJZSA-N 1 0 445.479 4.323 40 0 biogenic,in-vitro IIABRO Cn1cc(CN2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)c2ccccc21 ZINC000225480543 291384975 /nfs/dbraw/zinc/38/49/75/291384975.db2.gz REARKJIAYVYYNV-OFVILXPXSA-N 1 0 438.531 4.142 40 0 biogenic,in-vitro IIABRO CC[NH+](CC)CCCNC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCC1 ZINC000006193120 193890097 /nfs/dbraw/zinc/89/00/97/193890097.db2.gz YQTXYTWGZREJSQ-UHFFFAOYSA-N 1 0 442.673 4.496 40 0 IIABRO O=C(c1ccc2[nH]ccc2c1)N1Cc2ccccc2C2(CC[NH+](C3CCOCC3)CC2)C1 ZINC000096242473 193941689 /nfs/dbraw/zinc/94/16/89/193941689.db2.gz FZEZVNZRARHEGI-UHFFFAOYSA-N 1 0 429.564 4.337 40 0 IIABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=O)Nc3ccccc3)cc2c1 ZINC000012708303 521282983 /nfs/dbraw/zinc/28/29/83/521282983.db2.gz RXNCOWWNWPLEHR-UHFFFAOYSA-N 1 0 436.556 4.303 40 0 IIABRO COc1cc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)ccc1O ZINC000012188334 522378453 /nfs/dbraw/zinc/37/84/53/522378453.db2.gz SLYAVVIIMDZOLZ-MJGOQNOKSA-N 1 0 434.458 4.156 40 0 IIABRO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3OC)cc2c1 ZINC000012706592 524057800 /nfs/dbraw/zinc/05/78/00/524057800.db2.gz PAOYBQSPRVLIGQ-UHFFFAOYSA-N 1 0 436.556 4.085 40 0 IIABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1OC ZINC000019125642 525205807 /nfs/dbraw/zinc/20/58/07/525205807.db2.gz DXFDXYQEJGKMFW-UXHICEINSA-N 1 0 447.959 4.050 40 0 IIABRO COc1ccc([C@H]2C[N@H+](C)C[C@@H]2CNc2nc(C(C)C)cc(C(F)(F)F)n2)cc1OC ZINC000012235251 525422926 /nfs/dbraw/zinc/42/29/26/525422926.db2.gz VODFEKKUCYEHNM-JKSUJKDBSA-N 1 0 438.494 4.393 40 0 IIABRO COc1ccc2cc(CN(CCC[NH+](C)C)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000012707869 525625735 /nfs/dbraw/zinc/62/57/35/525625735.db2.gz AQCGHNPYPIRPLQ-UHFFFAOYSA-N 1 0 442.947 4.176 40 0 IIABRO COc1ccc([C@H]2C[C@H](OC(=O)CCc3ccc(O)cc3)C[C@H]3CCCC[N@@H+]32)cc1O ZINC000003847181 555948460 /nfs/dbraw/zinc/94/84/60/555948460.db2.gz TYTIBYQBVJUCGJ-CEMLEFRQSA-N 1 0 425.525 4.340 40 0 IIABRO O=C(Nc1ccccc1C(=O)N1CCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039742113 556438120 /nfs/dbraw/zinc/43/81/20/556438120.db2.gz ZTBNSRFPZAZNCN-UHFFFAOYSA-N 1 0 425.960 4.427 40 0 IIABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030945131 556516840 /nfs/dbraw/zinc/51/68/40/556516840.db2.gz ZIXFMLLIKRHRRF-IBGZPJMESA-N 1 0 449.492 4.405 40 0 IIABRO O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013678223 556555524 /nfs/dbraw/zinc/55/55/24/556555524.db2.gz WVXJXALCEDIMQW-UHFFFAOYSA-N 1 0 441.597 4.099 40 0 IIABRO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Br)c1OCc1ccccc1F ZINC000016611381 556618262 /nfs/dbraw/zinc/61/82/62/556618262.db2.gz DQORALPAXKCFGC-INIZCTEOSA-N 1 0 426.326 4.426 40 0 IIABRO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Br)c1OCc1ccccc1F ZINC000016611383 556618367 /nfs/dbraw/zinc/61/83/67/556618367.db2.gz DQORALPAXKCFGC-MRXNPFEDSA-N 1 0 426.326 4.426 40 0 IIABRO O=C(Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038854688 556625431 /nfs/dbraw/zinc/62/54/31/556625431.db2.gz QREUDKFTJOTBSO-LJQANCHMSA-N 1 0 425.960 4.427 40 0 IIABRO COC(=O)c1c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)sc2c1CCCC2 ZINC000038857940 556626106 /nfs/dbraw/zinc/62/61/06/556626106.db2.gz KQWBYMKYOSBUQZ-INIZCTEOSA-N 1 0 430.545 4.403 40 0 IIABRO COc1ccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000044851695 556670687 /nfs/dbraw/zinc/67/06/87/556670687.db2.gz FLNGXBGKBBGZHZ-FQEVSTJZSA-N 1 0 430.976 4.318 40 0 IIABRO COc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3ccc(F)cc3)CC1)CC(C)(C)O2 ZINC000044855542 556672029 /nfs/dbraw/zinc/67/20/29/556672029.db2.gz SUKCSRIRNWGVNT-JOCHJYFZSA-N 1 0 426.532 4.465 40 0 IIABRO O=C(CCC1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014905 556692123 /nfs/dbraw/zinc/69/21/23/556692123.db2.gz TWKJESVXRJCPLH-LJQANCHMSA-N 1 0 426.605 4.159 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019081817 556696391 /nfs/dbraw/zinc/69/63/91/556696391.db2.gz VJDMTAOEFWWAEZ-WZONZLPQSA-N 1 0 425.573 4.214 40 0 IIABRO COc1ccc(CN2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C(C)(C)C)nn32)cc1C[NH+](C)C ZINC000019084277 556698527 /nfs/dbraw/zinc/69/85/27/556698527.db2.gz CCRRAMXRVQQWFX-PZJWPPBQSA-N 1 0 433.600 4.359 40 0 IIABRO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(OCc4ccccc4)CC3)ccc21 ZINC000019085729 556699332 /nfs/dbraw/zinc/69/93/32/556699332.db2.gz IMXXJLQMBGZNLA-SANMLTNESA-N 1 0 436.596 4.336 40 0 IIABRO COCCOc1cc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)ccc1OC ZINC000257315025 556703734 /nfs/dbraw/zinc/70/37/34/556703734.db2.gz UZOWNTKJRMDPPB-UHFFFAOYSA-N 1 0 443.584 4.397 40 0 IIABRO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(-n3cccn3)cc2)cc1 ZINC000257324324 556704856 /nfs/dbraw/zinc/70/48/56/556704856.db2.gz WODQLARZEGQBOA-FTJBHMTQSA-N 1 0 444.579 4.427 40 0 IIABRO COCCOc1cccc(C[NH2+][C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)c1 ZINC000019217363 556712812 /nfs/dbraw/zinc/71/28/12/556712812.db2.gz JFHXMVYOKNGSBM-FYYLOGMGSA-N 1 0 428.598 4.314 40 0 IIABRO Cc1cnn(CCCOc2ccc(C[N@@H+]3CCC[C@](O)(COc4ccccc4)C3)cc2)c1 ZINC000257278751 556714449 /nfs/dbraw/zinc/71/44/49/556714449.db2.gz ODMZRXGOMBKWKQ-AREMUKBSSA-N 1 0 435.568 4.067 40 0 IIABRO COc1cccc(-c2cccc(CC3(C(=O)NC[C@H]4CCC[N@H+](C)C4)CCOCC3)c2)c1 ZINC000257311753 556718568 /nfs/dbraw/zinc/71/85/68/556718568.db2.gz UKVTYUBLAZYSCK-JOCHJYFZSA-N 1 0 436.596 4.160 40 0 IIABRO Cc1cccc(C[N@H+]2CCC[C@@](Cc3ccccc3-c3ccncc3)(C(=O)N(C)C)C2)n1 ZINC000019236198 556720860 /nfs/dbraw/zinc/72/08/60/556720860.db2.gz PUEWOZPLLHODST-MHZLTWQESA-N 1 0 428.580 4.365 40 0 IIABRO COc1cccc(-c2n[nH]cc2C[NH2+][C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c1 ZINC000019285357 556727084 /nfs/dbraw/zinc/72/70/84/556727084.db2.gz BSSBNBOMDZAQJE-QFIPXVFZSA-N 1 0 449.942 4.204 40 0 IIABRO Cc1cc(C)c2cc(CN(CC[NH+](C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000000880658 556732571 /nfs/dbraw/zinc/73/25/71/556732571.db2.gz RYVPVBZBGPIEBY-UHFFFAOYSA-N 1 0 426.561 4.045 40 0 IIABRO O[C@@]1(c2ccccn2)CC[C@H]2C[N@H+](Cc3ccccc3OCc3ccc4c(c3)OCO4)C[C@H]21 ZINC000019349440 556744477 /nfs/dbraw/zinc/74/44/77/556744477.db2.gz BSLHPSJYCSZBCP-ZIHSNCGMSA-N 1 0 444.531 4.119 40 0 IIABRO CC[NH+](CC)CC(=O)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019526323 556784200 /nfs/dbraw/zinc/78/42/00/556784200.db2.gz PLYBGUKJAGVICO-JOCHJYFZSA-N 1 0 448.546 4.427 40 0 IIABRO CCOc1cc2c(cc1C[NH+]1CCC(NC(C)=O)(c3ccccc3F)CC1)O[C@@H](C)C2 ZINC000019532443 556792806 /nfs/dbraw/zinc/79/28/06/556792806.db2.gz YOUADCMVVOWTRS-KRWDZBQOSA-N 1 0 426.532 4.175 40 0 IIABRO Cc1c(C[NH+]2CCC3(C[C@@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)cnn1C ZINC000019553586 556797247 /nfs/dbraw/zinc/79/72/47/556797247.db2.gz RSVVZICWGFWXNP-DEOSSOPVSA-N 1 0 437.975 4.249 40 0 IIABRO Cc1c(C[N@H+]2CCC[C@](Cc3ccc(-c4ccccc4F)cc3)(C(=O)N(C)C)C2)cnn1C ZINC000019553611 556797302 /nfs/dbraw/zinc/79/73/02/556797302.db2.gz BCLDOEDWNZBNQU-HHHXNRCGSA-N 1 0 448.586 4.448 40 0 IIABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1OC ZINC000019559920 556801539 /nfs/dbraw/zinc/80/15/39/556801539.db2.gz BYEUQUDBJGXVEW-XZOQPEGZSA-N 1 0 449.547 4.241 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)C[C@@H]2O ZINC000019563005 556804042 /nfs/dbraw/zinc/80/40/42/556804042.db2.gz HDDASCPPCRHHDJ-VQTJNVASSA-N 1 0 438.351 4.386 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)C[C@H]2O ZINC000019563008 556804053 /nfs/dbraw/zinc/80/40/53/556804053.db2.gz HDDASCPPCRHHDJ-WOJBJXKFSA-N 1 0 438.351 4.386 40 0 IIABRO COc1ccccc1CNC(=O)c1cc(C2CC[NH+](Cc3ccccc3OC)CC2)no1 ZINC000019570831 556811112 /nfs/dbraw/zinc/81/11/12/556811112.db2.gz GFZBZBBIKZWOTA-UHFFFAOYSA-N 1 0 435.524 4.001 40 0 IIABRO Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[nH]3)CC[N@@H+](C(C)C)C4)cc2c1C ZINC000019576803 556815183 /nfs/dbraw/zinc/81/51/83/556815183.db2.gz YHTBWGKKGTVZDA-QFIPXVFZSA-N 1 0 433.556 4.024 40 0 IIABRO CC[NH+](CC)CCCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=S)NCC(C)C ZINC000004162027 556820309 /nfs/dbraw/zinc/82/03/09/556820309.db2.gz VKUXILREIIXLMD-UHFFFAOYSA-N 1 0 430.662 4.209 40 0 IIABRO O=C(C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)N1CCCc2ccccc21 ZINC000004489322 556822077 /nfs/dbraw/zinc/82/20/77/556822077.db2.gz SGSCYMSKTAHOQN-UHFFFAOYSA-N 1 0 443.473 4.066 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000019591274 556826496 /nfs/dbraw/zinc/82/64/96/556826496.db2.gz NMFNQCHYYPBBNJ-HHHXNRCGSA-N 1 0 429.564 4.328 40 0 IIABRO Cc1cc2cc(CN(CC[NH+](C)C)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2cc1C ZINC000006320705 556832726 /nfs/dbraw/zinc/83/27/26/556832726.db2.gz WCPZJYRKGGNHPW-LJQANCHMSA-N 1 0 436.625 4.144 40 0 IIABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1C ZINC000006410184 556835388 /nfs/dbraw/zinc/83/53/88/556835388.db2.gz DCUMYGIJFOJLTA-IBGZPJMESA-N 1 0 436.625 4.144 40 0 IIABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@@H+]2Cc2ccccc2Cl)n1 ZINC000019690447 556846377 /nfs/dbraw/zinc/84/63/77/556846377.db2.gz XWTQNDQEODHYAF-NRFANRHFSA-N 1 0 435.959 4.299 40 0 IIABRO COCCc1ncc(C[NH+]2CCC(c3cc(Cc4ccc(F)cc4)cc(C)n3)CC2)cn1 ZINC000019691738 556847450 /nfs/dbraw/zinc/84/74/50/556847450.db2.gz ZCKOWVMIQGIRLU-UHFFFAOYSA-N 1 0 434.559 4.478 40 0 IIABRO Cc1cc(C)cc(C2(C(=O)N(C)Cc3cc(N(C)C)nc([C@@H]4CCCC[NH2+]4)n3)CCCC2)c1 ZINC000019709865 556871401 /nfs/dbraw/zinc/87/14/01/556871401.db2.gz KYZMXYVCJCUILF-QHCPKHFHSA-N 1 0 449.643 4.444 40 0 IIABRO COc1cccc2cc(C[NH+]3CCC(Cc4ncncc4C(=O)NC4CCCC4)CC3)oc21 ZINC000019756815 556900820 /nfs/dbraw/zinc/90/08/20/556900820.db2.gz SVKQPLQWCSXENG-UHFFFAOYSA-N 1 0 448.567 4.359 40 0 IIABRO CCn1cc(C[NH+]2CCC3(C[C@@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)cn1 ZINC000072327245 556903563 /nfs/dbraw/zinc/90/35/63/556903563.db2.gz LFQJWMLQQSMJAI-DEOSSOPVSA-N 1 0 437.975 4.423 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@H]([C@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000072341426 556913611 /nfs/dbraw/zinc/91/36/11/556913611.db2.gz JWXNIWDAPSUJCI-AVRDEDQJSA-N 1 0 443.613 4.420 40 0 IIABRO COc1ccc2c(c1)NC1(CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC1)c1cccn1-2 ZINC000072341791 556914086 /nfs/dbraw/zinc/91/40/86/556914086.db2.gz DDZYARZOHMITMU-UHFFFAOYSA-N 1 0 449.551 4.429 40 0 IIABRO CCc1ncc(C[N@@H+]2CCC[C@@H](c3nc(N)ncc3-c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000072346225 556917734 /nfs/dbraw/zinc/91/77/34/556917734.db2.gz WVYCPXFQOBEZIU-QGZVFWFLSA-N 1 0 442.489 4.477 40 0 IIABRO O=C(C[NH+]1CCCC1)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072349736 556919767 /nfs/dbraw/zinc/91/97/67/556919767.db2.gz FVTKLPUVGUNBMY-UHFFFAOYSA-N 1 0 431.502 4.493 40 0 IIABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cc(OC)c1 ZINC000072352783 556925042 /nfs/dbraw/zinc/92/50/42/556925042.db2.gz ZVBYNJPTZRAAMM-GOSISDBHSA-N 1 0 427.545 4.134 40 0 IIABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409052630 556931088 /nfs/dbraw/zinc/93/10/88/556931088.db2.gz HKSGOKHYOIUVAT-IQUGWNQFSA-O 1 0 439.322 4.010 40 0 IIABRO Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 ZINC000409061076 556937368 /nfs/dbraw/zinc/93/73/68/556937368.db2.gz UUWIDWSTPXKYMO-MHJDAMONSA-O 1 0 444.530 4.274 40 0 IIABRO Cc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 ZINC000409054775 556938538 /nfs/dbraw/zinc/93/85/38/556938538.db2.gz BOPKGICGDZYXAE-NTZHMZQUSA-O 1 0 440.567 4.443 40 0 IIABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@H]2NC(=O)C(C)C ZINC000072373145 556945416 /nfs/dbraw/zinc/94/54/16/556945416.db2.gz NDQNERDUFDHKSZ-INNMJMHTSA-N 1 0 447.623 4.089 40 0 IIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)COc4ccccc4F)C3)c2)n1 ZINC000072374962 556949710 /nfs/dbraw/zinc/94/97/10/556949710.db2.gz SLDKALQISVUBIA-IBGZPJMESA-N 1 0 449.530 4.465 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398577 556969985 /nfs/dbraw/zinc/96/99/85/556969985.db2.gz VJDMTAOEFWWAEZ-MBSDFSHPSA-N 1 0 425.573 4.214 40 0 IIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)cc2)C1 ZINC000020047117 556973662 /nfs/dbraw/zinc/97/36/62/556973662.db2.gz UBPANXVIGFKYCW-FQEVSTJZSA-N 1 0 442.563 4.496 40 0 IIABRO C[C@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104156 557036839 /nfs/dbraw/zinc/03/68/39/557036839.db2.gz JODOVSBUUKNLRL-KBMIEXCESA-N 1 0 448.592 4.017 40 0 IIABRO Cc1noc(C)c1C(=O)N1CCC[C@]2(C1)C[N@H+](C(C)C)Cc1c(-c3ccccc3)ncn12 ZINC000585106712 557040954 /nfs/dbraw/zinc/04/09/54/557040954.db2.gz GKAHYZXKQDLOCF-VWLOTQADSA-N 1 0 433.556 4.010 40 0 IIABRO CCc1ccccc1NC(=S)N(CC[NH+](C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000006135465 557145622 /nfs/dbraw/zinc/14/56/22/557145622.db2.gz QWPGTVUNLWVYRN-UHFFFAOYSA-N 1 0 436.625 4.468 40 0 IIABRO Cc1ccccc1C[NH+]1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 ZINC000096145192 557174396 /nfs/dbraw/zinc/17/43/96/557174396.db2.gz AFSHAZSRLOGVKG-UHFFFAOYSA-N 1 0 440.609 4.071 40 0 IIABRO COc1ccc(-c2nc(-c3noc4ccc(C(=O)N5CCC[N@H+](C)CC5)cc43)cs2)cc1 ZINC000096154448 557178234 /nfs/dbraw/zinc/17/82/34/557178234.db2.gz RVWGVSFUYVTIAJ-UHFFFAOYSA-N 1 0 448.548 4.405 40 0 IIABRO Cc1ccc(OCC2(O)CC[NH+](Cc3ccc(OCCCn4cccn4)cc3)CC2)cc1 ZINC000585273414 557215841 /nfs/dbraw/zinc/21/58/41/557215841.db2.gz NSLOIBGZRKKJJH-UHFFFAOYSA-N 1 0 435.568 4.067 40 0 IIABRO Cc1cnn(CCCOc2ccc(C[NH+]3CCC(O)(COc4ccc(C)cc4)CC3)cc2)c1 ZINC000585273768 557217827 /nfs/dbraw/zinc/21/78/27/557217827.db2.gz QSRDVQACGQCNAF-UHFFFAOYSA-N 1 0 449.595 4.375 40 0 IIABRO COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)n2)cc1 ZINC000219241870 557232461 /nfs/dbraw/zinc/23/24/61/557232461.db2.gz AXWXFYQXADHXFA-SFHVURJKSA-N 1 0 434.540 4.249 40 0 IIABRO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000057670986 557256957 /nfs/dbraw/zinc/25/69/57/557256957.db2.gz PLHSUVDDOICXIP-HSZRJFAPSA-N 1 0 434.588 4.010 40 0 IIABRO C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000219692632 557263039 /nfs/dbraw/zinc/26/30/39/557263039.db2.gz NSIMCQFNCJLXOP-OAHLLOKOSA-N 1 0 433.346 4.328 40 0 IIABRO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000013150649 557300937 /nfs/dbraw/zinc/30/09/37/557300937.db2.gz GCPQPOUIAUKDFC-OAHLLOKOSA-N 1 0 443.473 4.065 40 0 IIABRO O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000223044228 557420515 /nfs/dbraw/zinc/42/05/15/557420515.db2.gz KQXLMROLSGUJLZ-OAQYLSRUSA-N 1 0 426.988 4.417 40 0 IIABRO O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000223044281 557420561 /nfs/dbraw/zinc/42/05/61/557420561.db2.gz KQXLMROLSGUJLZ-NRFANRHFSA-N 1 0 426.988 4.417 40 0 IIABRO Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1C ZINC000223239493 557449990 /nfs/dbraw/zinc/44/99/90/557449990.db2.gz XBUFGXGKBFOWNO-RPWUZVMVSA-N 1 0 433.625 4.413 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCCN(Cc3cc(F)ccc3F)C2)[N@H+](C)C1 ZINC000019587527 557501195 /nfs/dbraw/zinc/50/11/95/557501195.db2.gz UVHMCUBZXAOWPH-LYHRCORUSA-N 1 0 443.538 4.144 40 0 IIABRO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000223750303 557509121 /nfs/dbraw/zinc/50/91/21/557509121.db2.gz VHRRPJIIZXKYCZ-PKTZIBPZSA-N 1 0 427.533 4.453 40 0 IIABRO COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000224558263 557623160 /nfs/dbraw/zinc/62/31/60/557623160.db2.gz KORPZQHNZNBUHJ-DHIUTWEWSA-N 1 0 427.533 4.453 40 0 IIABRO COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000224558209 557623272 /nfs/dbraw/zinc/62/32/72/557623272.db2.gz KORPZQHNZNBUHJ-XZOQPEGZSA-N 1 0 427.533 4.453 40 0 IIABRO O=S(=O)(Cc1cccc(Br)c1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224697643 557641518 /nfs/dbraw/zinc/64/15/18/557641518.db2.gz PGGGVHWEWBDXTM-UHFFFAOYSA-N 1 0 437.403 4.055 40 0 IIABRO O=C(NCC1(c2ccccc2)CCOCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000225043392 557682201 /nfs/dbraw/zinc/68/22/01/557682201.db2.gz NQRQERVGPVVDQS-UHFFFAOYSA-N 1 0 426.988 4.417 40 0 IIABRO COc1cc(C[NH+]2CCC(NC(=S)Nc3cc(C)ccc3C)CC2)cc(OC)c1OC ZINC000225227343 557702547 /nfs/dbraw/zinc/70/25/47/557702547.db2.gz DDORNNCPFAOXBN-UHFFFAOYSA-N 1 0 443.613 4.280 40 0 IIABRO CCOC(=O)c1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000225773259 557775623 /nfs/dbraw/zinc/77/56/23/557775623.db2.gz HWRQITOZKXEGIL-UHFFFAOYSA-N 1 0 441.597 4.131 40 0 IIABRO O[C@H]1CC[C@@H](Cc2cc(COc3ccccc3)on2)O[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000096269000 560054286 /nfs/dbraw/zinc/05/42/86/560054286.db2.gz AQXBCPSBHJPTMN-OEMFJLHTSA-N 1 0 442.943 4.148 40 0 biogenic,in-vitro IIABRO Cc1nccn1CCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)c1 ZINC000585270932 568617741 /nfs/dbraw/zinc/61/77/41/568617741.db2.gz DRUOEOMSRCZPHD-MHZLTWQESA-N 1 0 449.595 4.375 40 0 IIABRO COCCOc1cc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)ccc1OC ZINC000585271219 568617815 /nfs/dbraw/zinc/61/78/15/568617815.db2.gz UOPHGPUPWAGDPL-UHFFFAOYSA-N 1 0 449.975 4.088 40 0 IIABRO Cc1cc(N(C)C)nc([C@@]2(C)CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000257208176 568668889 /nfs/dbraw/zinc/66/88/89/568668889.db2.gz BLAXTOQFWJIIJC-SANMLTNESA-N 1 0 431.584 4.379 40 0 IIABRO Cc1cccn2cc(C(=O)N3[C@H](Cc4ccccc4)[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[N@@H+]4C)nc12 ZINC000257222297 568675403 /nfs/dbraw/zinc/67/54/03/568675403.db2.gz DSTGIHIBOXJIIQ-PFGYYQCGSA-N 1 0 428.580 4.341 40 0 IIABRO Cc1ccccc1-c1noc([C@H]2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)n1 ZINC000257225515 568676613 /nfs/dbraw/zinc/67/66/13/568676613.db2.gz FGNZEIORJWOGMR-HNNXBMFYSA-N 1 0 430.430 4.492 40 0 IIABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)cc1 ZINC000257247978 568687566 /nfs/dbraw/zinc/68/75/66/568687566.db2.gz JBMGRWUCOVUUHZ-NRFANRHFSA-N 1 0 436.600 4.083 40 0 IIABRO COc1cccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)c4cscn4)C[C@@H]32)c1 ZINC000257256360 568691587 /nfs/dbraw/zinc/69/15/87/568691587.db2.gz KLCCTPVOPYHTFX-CQOQZXRMSA-N 1 0 433.577 4.282 40 0 IIABRO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)c2)n1 ZINC000257263264 568694720 /nfs/dbraw/zinc/69/47/20/568694720.db2.gz LPBDVPATQLOVFD-INIZCTEOSA-N 1 0 447.586 4.072 40 0 IIABRO CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OCC[NH+]5CCCC5)c4)OCC[C@@]31C2 ZINC000257278855 568701677 /nfs/dbraw/zinc/70/16/77/568701677.db2.gz ODYDEYCRAPXJSQ-GXWRLENGSA-N 1 0 426.601 4.180 40 0 IIABRO Cc1cc(Nc2cnccn2)cc(C2CCN(CC(=O)N3CCCc4ccccc43)CC2)[nH+]1 ZINC000257300956 568711607 /nfs/dbraw/zinc/71/16/07/568711607.db2.gz RWIYOJNMJFUZNO-UHFFFAOYSA-N 1 0 442.567 4.082 40 0 IIABRO O=C(N1CC[NH2+]C[C@H](COCc2ccccc2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000257304352 568713303 /nfs/dbraw/zinc/71/33/03/568713303.db2.gz SLFZSXMMERKSIQ-NRFANRHFSA-N 1 0 426.988 4.417 40 0 IIABRO Cc1nc([C@@H]2CC[N@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 ZINC000257316956 568718456 /nfs/dbraw/zinc/71/84/56/568718456.db2.gz VHRZTHUEFRZXAW-HSZRJFAPSA-N 1 0 446.570 4.123 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000257329812 568724531 /nfs/dbraw/zinc/72/45/31/568724531.db2.gz XLPVYXJHZACUET-NVQXNPDNSA-N 1 0 440.559 4.194 40 0 IIABRO C[NH+]1CCC(n2ncc3c2-c2ccccc2OC32CCN(C(=O)c3cccs3)CC2)CC1 ZINC000306123927 568763054 /nfs/dbraw/zinc/76/30/54/568763054.db2.gz BAPBFLGPJGWCON-UHFFFAOYSA-N 1 0 448.592 4.402 40 0 IIABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1cccc(Cl)c1)C[C@@H]2c1cccnc1 ZINC000306127558 568764619 /nfs/dbraw/zinc/76/46/19/568764619.db2.gz GBWDKXHDCFSKEL-RSXGOPAZSA-N 1 0 447.966 4.132 40 0 IIABRO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@H+](Cc4cccnc4OC)C3)nn2c1 ZINC000306134376 568768470 /nfs/dbraw/zinc/76/84/70/568768470.db2.gz NLJULFOSRDFPQO-GOSISDBHSA-N 1 0 447.514 4.327 40 0 IIABRO Cc1nc2c(n1C(C)C)C[N@H+](Cc1cc(C)cc(C)c1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306134862 568768815 /nfs/dbraw/zinc/76/88/15/568768815.db2.gz NZZXWLBDMWQCAC-UHFFFAOYSA-N 1 0 437.632 4.420 40 0 IIABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306141735 568772422 /nfs/dbraw/zinc/77/24/22/568772422.db2.gz WEXXIWRMGLSNOW-ZJSXRUAMSA-N 1 0 426.992 4.346 40 0 IIABRO CCc1ccc(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095863088 568792100 /nfs/dbraw/zinc/79/21/00/568792100.db2.gz ALFVVFKLZQDENL-SANMLTNESA-N 1 0 430.592 4.396 40 0 IIABRO C[NH+](C)CCCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C(F)(F)F)n1 ZINC000328985760 568808663 /nfs/dbraw/zinc/80/86/63/568808663.db2.gz HVDUNZLBLOAKEM-UHFFFAOYSA-N 1 0 441.807 4.119 40 0 IIABRO CC(C)c1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328984920 568808667 /nfs/dbraw/zinc/80/86/67/568808667.db2.gz HQQIZVGPCVDBRC-SFHVURJKSA-N 1 0 438.494 4.490 40 0 IIABRO O[C@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000026781593 568862877 /nfs/dbraw/zinc/86/28/77/568862877.db2.gz PGOWGFSPDQEGDV-QRUZDJRHSA-N 1 0 433.036 4.446 40 0 IIABRO Cc1ccc(C(=O)N(CCC[NH3+])[C@H](c2nc3cc(Cl)ccc3c(=O)[nH]2)C(C)C)cc1 ZINC000521205762 568918279 /nfs/dbraw/zinc/91/82/79/568918279.db2.gz YUPYFGDJIPCUQQ-FQEVSTJZSA-N 1 0 426.948 4.486 40 0 IIABRO CN(C)C(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000169340863 568934333 /nfs/dbraw/zinc/93/43/33/568934333.db2.gz HOMJAAIVTDVQJA-OCOZRVBESA-N 1 0 440.547 4.383 40 0 in-vitro IIABRO O=C(NCc1ccco1)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063596 569219898 /nfs/dbraw/zinc/21/98/98/569219898.db2.gz AFLHMACBIRQHGW-UHFFFAOYSA-N 1 0 435.499 4.199 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)cc1OC ZINC000019560938 569226980 /nfs/dbraw/zinc/22/69/80/569226980.db2.gz OOTFJOFRMSALTD-PXDATVDWSA-N 1 0 437.584 4.359 40 0 IIABRO COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)cc1C ZINC000019567301 569227041 /nfs/dbraw/zinc/22/70/41/569227041.db2.gz CIHJJHNMJQTKQT-HFZDXXHNSA-N 1 0 444.579 4.485 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(C)c1C ZINC000019577344 569227358 /nfs/dbraw/zinc/22/73/58/569227358.db2.gz XKQSCTLRMDHXOT-BKMJKUGQSA-N 1 0 444.579 4.485 40 0 IIABRO Cc1nc([C@]2(O)CCC[N@H+](Cc3ccncc3)CC2)sc1CCOc1ccccc1F ZINC000019696257 569229641 /nfs/dbraw/zinc/22/96/41/569229641.db2.gz CEMWNLVPSPRWAT-DEOSSOPVSA-N 1 0 441.572 4.481 40 0 IIABRO Cc1ccc(C[N@@H+]2CC[C@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)cc1C ZINC000019702615 569232239 /nfs/dbraw/zinc/23/22/39/569232239.db2.gz FEDIDYVDMYQVEP-FQEVSTJZSA-N 1 0 435.593 4.375 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)cc1 ZINC000019763526 569328859 /nfs/dbraw/zinc/32/88/59/569328859.db2.gz ZCVBELBVRILQTI-HSZRJFAPSA-N 1 0 444.579 4.493 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763479 569328942 /nfs/dbraw/zinc/32/89/42/569328942.db2.gz JNUXRQPOUFBZGE-NRFANRHFSA-N 1 0 448.542 4.113 40 0 IIABRO CC(=O)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cc6ccccc6s5)ccc43)C2)CC1 ZINC000005411712 291378139 /nfs/dbraw/zinc/37/81/39/291378139.db2.gz JUPNDPKUAYCXHU-AZUAARDMSA-N 1 0 447.604 4.160 40 0 biogenic,in-vitro IIABRO COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](C[NH+](CC(C)C)CC(C)C)O3)no2)cc1 ZINC000077262369 291382927 /nfs/dbraw/zinc/38/29/27/291382927.db2.gz QDYDXLARMPCANZ-SONWIMMPSA-N 1 0 430.589 4.415 40 0 biogenic,in-vitro IIABRO Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1C ZINC000223239442 193956645 /nfs/dbraw/zinc/95/66/45/193956645.db2.gz XBUFGXGKBFOWNO-DNQXCXABSA-N 1 0 433.625 4.413 40 0 IIABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC000035075023 520685382 /nfs/dbraw/zinc/68/53/82/520685382.db2.gz SLGAZMNXJUEMDL-FDHFVPJWSA-N 1 0 435.052 4.440 40 0 IIABRO CCOc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCc1ccc(Cl)cc1 ZINC000022109202 520714395 /nfs/dbraw/zinc/71/43/95/520714395.db2.gz TYONVRCFTVONHL-UHFFFAOYSA-N 1 0 447.992 4.113 40 0 IIABRO CCOc1ccc(N2C[C@](O)(c3ccc(Br)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408695 521044775 /nfs/dbraw/zinc/04/47/75/521044775.db2.gz FOJLYDANSNMIHY-QFIPXVFZSA-N 1 0 430.366 4.498 40 0 IIABRO CCOc1ccccc1C[NH+]1CCC(O)(Cn2cccc3cc(C(F)(F)F)nc2-3)CC1 ZINC000012158753 521481225 /nfs/dbraw/zinc/48/12/25/521481225.db2.gz KSKDRJCVKUCELJ-UHFFFAOYSA-N 1 0 433.474 4.433 40 0 IIABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000012707191 524057773 /nfs/dbraw/zinc/05/77/73/524057773.db2.gz XOLPXADNOILATG-UHFFFAOYSA-N 1 0 436.531 4.360 40 0 IIABRO O[C@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022573428 526284567 /nfs/dbraw/zinc/28/45/67/526284567.db2.gz JJVDQAKSJWDOBV-AOAHEMPTSA-N 1 0 447.063 4.442 40 0 IIABRO Clc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000035310842 526960935 /nfs/dbraw/zinc/96/09/35/526960935.db2.gz BOOIYHNZNHPSPN-QFIPXVFZSA-N 1 0 440.979 4.008 40 0 IIABRO O=C(Cn1nnc(-c2ccc(C[NH+]3CCCCC3)cc2)n1)Nc1cc(Cl)ccc1Cl ZINC000035313175 527428482 /nfs/dbraw/zinc/42/84/82/527428482.db2.gz WLXJIBLJKUTGQR-UHFFFAOYSA-N 1 0 445.354 4.272 40 0 IIABRO COc1ccc2c(c[n+]3c(c2C(=O)c2ccccc2)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000001578255 555704058 /nfs/dbraw/zinc/70/40/58/555704058.db2.gz KGYMADNUODVWFC-UHFFFAOYSA-N 1 0 440.475 4.327 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c(OC)c1 ZINC000009933428 556317046 /nfs/dbraw/zinc/31/70/46/556317046.db2.gz LCJQCOAFKBGZLJ-DEOSSOPVSA-N 1 0 436.596 4.397 40 0 IIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2)c1 ZINC000039755166 556439040 /nfs/dbraw/zinc/43/90/40/556439040.db2.gz WUQLZUUBKWXMQZ-UHFFFAOYSA-N 1 0 431.536 4.369 40 0 IIABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000029907671 556486343 /nfs/dbraw/zinc/48/63/43/556486343.db2.gz XQVBWXBRXIUKNH-UHFFFAOYSA-N 1 0 449.576 4.013 40 0 IIABRO O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030942399 556516310 /nfs/dbraw/zinc/51/63/10/556516310.db2.gz CGTRPLSMXWPINT-JOCHJYFZSA-N 1 0 435.568 4.224 40 0 IIABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044855684 556672048 /nfs/dbraw/zinc/67/20/48/556672048.db2.gz RBCSSRMPSWQAHL-JOCHJYFZSA-N 1 0 426.532 4.465 40 0 IIABRO COc1ccc(OC[C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044908710 556680477 /nfs/dbraw/zinc/68/04/77/556680477.db2.gz QZYSHRGLYMZKDO-FQEVSTJZSA-N 1 0 430.548 4.451 40 0 IIABRO CCc1[nH]nc(C(=O)NC2CC[NH+](CC3(c4ccc(OC)cc4)CCCCC3)CC2)c1C ZINC000045196167 556685533 /nfs/dbraw/zinc/68/55/33/556685533.db2.gz KMBCFNRGRNIFIE-UHFFFAOYSA-N 1 0 438.616 4.385 40 0 IIABRO O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCC[N@@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019014770 556692301 /nfs/dbraw/zinc/69/23/01/556692301.db2.gz JAKTXKCZJLHPGB-QFIPXVFZSA-N 1 0 426.605 4.095 40 0 IIABRO COc1ccc(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1OC ZINC000019082028 556696987 /nfs/dbraw/zinc/69/69/87/556696987.db2.gz IMRZGYQQARKMGH-HSZRJFAPSA-N 1 0 425.573 4.214 40 0 IIABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019084448 556698541 /nfs/dbraw/zinc/69/85/41/556698541.db2.gz NSQZLUIKOWJEHY-GOTSBHOMSA-N 1 0 425.569 4.377 40 0 IIABRO Cc1c(C)n(C[C@H](O)C[N@@H+](C)Cc2ccc(OCCn3cccn3)cc2)c2ccccc12 ZINC000257335664 556706368 /nfs/dbraw/zinc/70/63/68/556706368.db2.gz YLHRHJOLYUQBMP-HSZRJFAPSA-N 1 0 432.568 4.027 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@H](Cc2cccc3ccncc32)C1 ZINC000257342488 556707432 /nfs/dbraw/zinc/70/74/32/556707432.db2.gz ZOWOIGIIRDBAHZ-OAQYLSRUSA-N 1 0 429.564 4.162 40 0 IIABRO Fc1ccc(COc2cccc(C[N@@H+]3CCOC[C@@H](Cc4cn5ccnc5cn4)C3)c2)cc1 ZINC000257228251 556708490 /nfs/dbraw/zinc/70/84/90/556708490.db2.gz FTCBQGZOTHVFBY-QFIPXVFZSA-N 1 0 446.526 4.139 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@@H](Cc2cccc3cnccc32)C1 ZINC000257234592 556709793 /nfs/dbraw/zinc/70/97/93/556709793.db2.gz GUGPJGRMPZKQIT-NRFANRHFSA-N 1 0 429.564 4.162 40 0 IIABRO COc1cccc(-c2cccc(CC3(C(=O)NCC4CC[NH+](C)CC4)CCOCC3)c2)c1 ZINC000257272196 556713737 /nfs/dbraw/zinc/71/37/37/556713737.db2.gz NBKSDBVUQTXYHV-UHFFFAOYSA-N 1 0 436.596 4.160 40 0 IIABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019448943 556758952 /nfs/dbraw/zinc/75/89/52/556758952.db2.gz CPMWWRPCKVZWEL-HHHXNRCGSA-N 1 0 428.580 4.493 40 0 IIABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@H+](Cc3cccn3C(C)C)C1)O2 ZINC000019454988 556765207 /nfs/dbraw/zinc/76/52/07/556765207.db2.gz MMADUJRTUVNODE-CPJSRVTESA-N 1 0 425.573 4.099 40 0 IIABRO CCCN1CC[N@H+](Cc2cccc(C)n2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502833 556773925 /nfs/dbraw/zinc/77/39/25/556773925.db2.gz XNHNQQNKVIPPOO-VWLOTQADSA-N 1 0 428.580 4.365 40 0 IIABRO CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019503569 556775281 /nfs/dbraw/zinc/77/52/81/556775281.db2.gz BHVHZJNGZZQHJM-HHHXNRCGSA-N 1 0 428.580 4.495 40 0 IIABRO CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019503567 556775302 /nfs/dbraw/zinc/77/53/02/556775302.db2.gz OBTCKCZMBZYFTO-MHZLTWQESA-N 1 0 428.580 4.495 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001353341 556781469 /nfs/dbraw/zinc/78/14/69/556781469.db2.gz JPRPWQFPEPZAAV-FQEVSTJZSA-N 1 0 436.531 4.494 40 0 IIABRO CCn1cc(C[N@@H+]2CCC[C@](Cc3ccccc3-c3cccnc3)(C(=O)NC(C)C)C2)cn1 ZINC000019524907 556782347 /nfs/dbraw/zinc/78/23/47/556782347.db2.gz ZGUDXKBNFLJXNL-HHHXNRCGSA-N 1 0 445.611 4.315 40 0 IIABRO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000019529132 556790550 /nfs/dbraw/zinc/79/05/50/556790550.db2.gz OTLAUKOSDNAGCL-HHHXNRCGSA-N 1 0 429.564 4.328 40 0 IIABRO CCOc1cc(C[NH+]2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)ccc1OC ZINC000019531944 556792209 /nfs/dbraw/zinc/79/22/09/556792209.db2.gz VZJCUSIFUNHCOS-UHFFFAOYSA-N 1 0 426.542 4.093 40 0 IIABRO CCOc1cc2c(cc1C[NH+]1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)O[C@H](C)C2 ZINC000019532435 556792819 /nfs/dbraw/zinc/79/28/19/556792819.db2.gz GXLCHBRCLIPEER-QGZVFWFLSA-N 1 0 426.532 4.175 40 0 IIABRO CCOc1cc2c(cc1C[NH+]1CCC(NC(C)=O)(c3ccccc3F)CC1)O[C@H](C)C2 ZINC000019532441 556792824 /nfs/dbraw/zinc/79/28/24/556792824.db2.gz YOUADCMVVOWTRS-QGZVFWFLSA-N 1 0 426.532 4.175 40 0 IIABRO Cc1c(C)n(Cc2ccccc2)c2ncnc(OC3CCN(CC[NH+]4CCCC4)CC3)c12 ZINC000019554580 556798023 /nfs/dbraw/zinc/79/80/23/556798023.db2.gz DHMMGJQGRQKCHT-UHFFFAOYSA-N 1 0 433.600 4.035 40 0 IIABRO COc1ccc(C(=O)N[C@@H](OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)C(Cl)(Cl)Cl)cc1 ZINC000002137331 556799063 /nfs/dbraw/zinc/79/90/63/556799063.db2.gz ATPAPKBRPPCFQM-SUMDDJOVSA-N 1 0 449.806 4.402 40 0 IIABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1OC ZINC000019559911 556801517 /nfs/dbraw/zinc/80/15/17/556801517.db2.gz BYEUQUDBJGXVEW-PKTZIBPZSA-N 1 0 449.547 4.241 40 0 IIABRO COc1ccccc1C[N@@H+]1CC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 ZINC000019580413 556818441 /nfs/dbraw/zinc/81/84/41/556818441.db2.gz COLNSMMZAROBEO-MHZLTWQESA-N 1 0 429.564 4.280 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c(OC)c1 ZINC000019584437 556821886 /nfs/dbraw/zinc/82/18/86/556821886.db2.gz CENZSVRTAAVGLL-LJQANCHMSA-N 1 0 433.556 4.001 40 0 IIABRO CNc1ncccc1C[NH+]1CCC(c2nc(N(C)C)ncc2-c2ccc(OC)cc2)CC1 ZINC000019695278 556851703 /nfs/dbraw/zinc/85/17/03/556851703.db2.gz WIPWWAUOGDXPMI-UHFFFAOYSA-N 1 0 432.572 4.035 40 0 IIABRO CNc1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)C2(c3cc(C)cc(C)c3)CCCC2)n1 ZINC000019709965 556871583 /nfs/dbraw/zinc/87/15/83/556871583.db2.gz AJYFEKMYIUDYNX-HXUWFJFHSA-N 1 0 435.616 4.073 40 0 IIABRO CC(C)[NH+]1CCC(C(=O)N2CCC([C@H]3CCCCN(Cc4ccccc4)C3=O)CC2)CC1 ZINC000019744781 556891291 /nfs/dbraw/zinc/89/12/91/556891291.db2.gz VEUHEAAPNZKBCM-RUZDIDTESA-N 1 0 439.644 4.174 40 0 IIABRO Cc1ccccc1C[NH+]1CCC(Cc2nn(C)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000019756649 556900768 /nfs/dbraw/zinc/90/07/68/556900768.db2.gz GLDKWVKQABYTJK-UHFFFAOYSA-N 1 0 434.559 4.252 40 0 IIABRO CCn1cc(C[NH+]2CCC3(C[C@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)cn1 ZINC000072327244 556903554 /nfs/dbraw/zinc/90/35/54/556903554.db2.gz LFQJWMLQQSMJAI-XMMPIXPASA-N 1 0 437.975 4.423 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)c1 ZINC000072330466 556905707 /nfs/dbraw/zinc/90/57/07/556905707.db2.gz OWNMDAOWONQVCU-HOFKKMOUSA-N 1 0 429.564 4.402 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1 ZINC000072330543 556906193 /nfs/dbraw/zinc/90/61/93/556906193.db2.gz FAPFMKBZDUMDCB-RLWLMLJZSA-N 1 0 445.563 4.482 40 0 IIABRO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000072352296 556923603 /nfs/dbraw/zinc/92/36/03/556923603.db2.gz ATMOMUOMTSBHCE-INIZCTEOSA-N 1 0 440.613 4.288 40 0 IIABRO COc1ccc2c(C[N@@H+]3CC[C@@H](c4c5cccnc5sc4C(=O)N(C)C)C3)cn(C)c2c1 ZINC000072352527 556924489 /nfs/dbraw/zinc/92/44/89/556924489.db2.gz CWTLFUDIIIISLK-MRXNPFEDSA-N 1 0 448.592 4.488 40 0 IIABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409056007 556933866 /nfs/dbraw/zinc/93/38/66/556933866.db2.gz LXXOLWZBFYITMX-MAEDJNRBSA-O 1 0 439.322 4.010 40 0 IIABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409062690 556940096 /nfs/dbraw/zinc/94/00/96/556940096.db2.gz YYJDLZMSWSMPLA-ZCEBDVNOSA-O 1 0 439.322 4.010 40 0 IIABRO Fc1ccc(OCCc2cc([C@H]3CC[N@H+](CCOc4ccccc4F)C3)[nH]n2)cc1F ZINC000072371703 556940531 /nfs/dbraw/zinc/94/05/31/556940531.db2.gz ZIRJIOCAZKARRA-INIZCTEOSA-N 1 0 431.458 4.317 40 0 IIABRO COc1ccc(NC(=O)CN2CCC[C@@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)cc1 ZINC000072372483 556942932 /nfs/dbraw/zinc/94/29/32/556942932.db2.gz VEZKJZZQZHHKRK-HSZRJFAPSA-N 1 0 446.555 4.325 40 0 IIABRO CC[NH+]1CCC(CC(=O)N2CCC[C@H]2c2ccc3c(NCc4ccccc4)n[nH]c3n2)CC1 ZINC000072374566 556948458 /nfs/dbraw/zinc/94/84/58/556948458.db2.gz PXDWIVWWRUFTHY-QHCPKHFHSA-N 1 0 446.599 4.356 40 0 IIABRO COc1cc2c(cc1C[NH+]1CCC(c3cccc(Nc4cc(C)on4)n3)CC1)OCCO2 ZINC000072376184 556954547 /nfs/dbraw/zinc/95/45/47/556954547.db2.gz BVFCFOLZVYUKOQ-UHFFFAOYSA-N 1 0 436.512 4.281 40 0 IIABRO CCOc1ccc(CN2Cc3cc(OC)ccc3O[C@]3(CCC[N@H+](C)CC3)C2)cc1OC ZINC000072394511 556965878 /nfs/dbraw/zinc/96/58/78/556965878.db2.gz PAHDQTYXCGTKOH-SANMLTNESA-N 1 0 440.584 4.352 40 0 IIABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)cc1C ZINC000072398663 556970358 /nfs/dbraw/zinc/97/03/58/556970358.db2.gz CIHJJHNMJQTKQT-RLWLMLJZSA-N 1 0 444.579 4.485 40 0 IIABRO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000257277178 556993323 /nfs/dbraw/zinc/99/33/23/556993323.db2.gz NWTKMFHFVNJVJQ-UGGKCQTMSA-N 1 0 428.577 4.041 40 0 IIABRO CC(C)[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000585106539 557040224 /nfs/dbraw/zinc/04/02/24/557040224.db2.gz AGHZUOMYHJNPPY-HHHXNRCGSA-N 1 0 428.580 4.335 40 0 IIABRO O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12)c1cccs1 ZINC000585110047 557042442 /nfs/dbraw/zinc/04/24/42/557042442.db2.gz ATQIMSHMHQZXCZ-SFTDATJTSA-N 1 0 431.561 4.172 40 0 IIABRO O=C(Cc1ccccc1)NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12 ZINC000585110169 557043137 /nfs/dbraw/zinc/04/31/37/557043137.db2.gz RLXXATQGKSVEQK-DQEYMECFSA-N 1 0 439.559 4.039 40 0 IIABRO COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NCCCC[NH+](C)C)CCCO2)cc1 ZINC000585169111 557132531 /nfs/dbraw/zinc/13/25/31/557132531.db2.gz VWQOVOKFYCYEIS-VWLOTQADSA-N 1 0 428.548 4.051 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=S)NC1CCCCC1 ZINC000006193337 557148455 /nfs/dbraw/zinc/14/84/55/557148455.db2.gz LXMRGVJRNHWCDV-UHFFFAOYSA-N 1 0 428.646 4.188 40 0 IIABRO CCc1nccn1CCOc1cccc(C[NH+]2CCC(O)(COc3ccc(C)cc3)CC2)c1 ZINC000585271592 557213356 /nfs/dbraw/zinc/21/33/56/557213356.db2.gz AVMXYBSXERWZRV-UHFFFAOYSA-N 1 0 449.595 4.239 40 0 IIABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3cccc(OCCn4cccn4)c3)CC2)c(C)c1 ZINC000585273336 557215244 /nfs/dbraw/zinc/21/52/44/557215244.db2.gz ZVZBFWGPFZXTEM-HHHXNRCGSA-N 1 0 449.595 4.375 40 0 IIABRO Cc1ccc(OCC2(O)CC[NH+](Cc3cccc(OCCCn4cccn4)c3)CC2)c(C)c1 ZINC000585272459 557217198 /nfs/dbraw/zinc/21/71/98/557217198.db2.gz IWLSPZWSMRQIIE-UHFFFAOYSA-N 1 0 449.595 4.375 40 0 IIABRO O[C@H]1CC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1ccc(Cl)c(F)c1 ZINC000585287512 557227725 /nfs/dbraw/zinc/22/77/25/557227725.db2.gz NOCBISPEBRENMT-WJNSRDFLSA-N 1 0 433.951 4.382 40 0 IIABRO COc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)n2)c1 ZINC000219241697 557232589 /nfs/dbraw/zinc/23/25/89/557232589.db2.gz BWKFAZMEWYPGPW-SFHVURJKSA-N 1 0 434.540 4.249 40 0 IIABRO Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000100738866 557273117 /nfs/dbraw/zinc/27/31/17/557273117.db2.gz HADRZKWUBWMIPU-GRGXKFILSA-N 1 0 435.616 4.357 40 0 IIABRO CC(=O)N[C@@H](CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccs1 ZINC000048375032 557367137 /nfs/dbraw/zinc/36/71/37/557367137.db2.gz VMSBKEVHWJULOK-HMFYCAOWSA-N 1 0 427.614 4.110 40 0 IIABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 ZINC000223257829 557451739 /nfs/dbraw/zinc/45/17/39/557451739.db2.gz OJLAHLYDDXYKAO-LEWJYISDSA-N 1 0 448.621 4.016 40 0 IIABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000017100750 557489386 /nfs/dbraw/zinc/48/93/86/557489386.db2.gz KYLKHGLDPXBVPZ-UHFFFAOYSA-N 1 0 436.606 4.197 40 0 IIABRO Clc1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020121790 557515455 /nfs/dbraw/zinc/51/54/55/557515455.db2.gz VLJWQVKTUARHQT-JOCHJYFZSA-N 1 0 429.012 4.481 40 0 IIABRO COc1cc2c(cc1S(=O)(=O)NCc1cccc(C[NH+]3CCCCC3)c1)CCCC2 ZINC000224701752 557642173 /nfs/dbraw/zinc/64/21/73/557642173.db2.gz NPMZZWXRIPDBSA-UHFFFAOYSA-N 1 0 428.598 4.038 40 0 IIABRO CC[C@@H](C)C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257221036 568675034 /nfs/dbraw/zinc/67/50/34/568675034.db2.gz DNGIFFZEYGCUQE-NTKDMRAZSA-N 1 0 437.024 4.404 40 0 IIABRO C[NH+]1CCC(Cc2ccccc2)(C(=O)N2CCC[C@H](Cc3nccn4cccc34)CC2)CC1 ZINC000257224173 568676036 /nfs/dbraw/zinc/67/60/36/568676036.db2.gz FAPGYCHICSTFKT-QHCPKHFHSA-N 1 0 444.623 4.460 40 0 IIABRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257225680 568677075 /nfs/dbraw/zinc/67/70/75/568677075.db2.gz FHHNYKADWKIOFZ-OAQYLSRUSA-N 1 0 442.567 4.018 40 0 IIABRO Cc1nc([C@@H]2CC[N@H+](CCc3ccccc3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000257231878 568679680 /nfs/dbraw/zinc/67/96/80/568679680.db2.gz GINRNJRBKNYHLY-JOCHJYFZSA-N 1 0 444.554 4.436 40 0 IIABRO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)c3n[nH]c4c3CCCCC4)C2)[nH+]1 ZINC000257241731 568684563 /nfs/dbraw/zinc/68/45/63/568684563.db2.gz HZJSSFYKMUBTOD-MRXNPFEDSA-N 1 0 434.519 4.289 40 0 IIABRO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)CCn3ncc4ccccc43)C2)[nH+]1 ZINC000257243612 568685531 /nfs/dbraw/zinc/68/55/31/568685531.db2.gz IHUGXYGGPVSOSE-LJQANCHMSA-N 1 0 444.514 4.424 40 0 IIABRO COc1cc2c(cc1C[NH+]1CCC(c3cncc(Nc4ncccc4C)n3)CC1)OCCO2 ZINC000257263134 568694700 /nfs/dbraw/zinc/69/47/00/568694700.db2.gz LOOLDHZOTZHFMP-UHFFFAOYSA-N 1 0 447.539 4.083 40 0 IIABRO Cc1nc2cc([C@H]3CCC[N@@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257293006 568708146 /nfs/dbraw/zinc/70/81/46/568708146.db2.gz QNTZVGKVUYRKCU-XUZZJYLKSA-N 1 0 435.616 4.298 40 0 IIABRO Cc1nc2ccccc2n1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257294801 568708861 /nfs/dbraw/zinc/70/88/61/568708861.db2.gz QVUHRRYRSJPKIB-FKAUUQQGSA-N 1 0 442.607 4.478 40 0 IIABRO Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](c3cc(Nc4nccs4)cc(C)[nH+]3)C2)c1 ZINC000257305954 568713816 /nfs/dbraw/zinc/71/38/16/568713816.db2.gz SSFYGRIBAUNZRC-HNNXBMFYSA-N 1 0 432.546 4.216 40 0 IIABRO Cc1nc2ccccn2c1CC(=O)N1CCC[C@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257338158 568727840 /nfs/dbraw/zinc/72/78/40/568727840.db2.gz YWENRNCCOKJGFL-SFHVURJKSA-N 1 0 446.580 4.495 40 0 IIABRO COc1cc(CCC(=O)N2CC[C@@H](c3cc(Nc4cccc(OC)c4)cc(C)[nH+]3)C2)on1 ZINC000257342577 568729624 /nfs/dbraw/zinc/72/96/24/568729624.db2.gz ZPHFKDHFWITBFB-QGZVFWFLSA-N 1 0 436.512 4.088 40 0 IIABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2ccccn2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306129397 568765746 /nfs/dbraw/zinc/76/57/46/568765746.db2.gz IBWKGUDBJXJLFI-RPLLCQBOSA-N 1 0 443.595 4.267 40 0 IIABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306130844 568766358 /nfs/dbraw/zinc/76/63/58/568766358.db2.gz JRBQZPIJVRJBOH-BVAGGSTKSA-N 1 0 447.558 4.016 40 0 IIABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306130845 568766501 /nfs/dbraw/zinc/76/65/01/568766501.db2.gz JRBQZPIJVRJBOH-JYFHCDHNSA-N 1 0 447.558 4.016 40 0 IIABRO O=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198482 568921734 /nfs/dbraw/zinc/92/17/34/568921734.db2.gz AGZMFWWASXUXNB-MIUUGJTFSA-N 1 0 444.579 4.047 40 0 IIABRO O=C1CCC[C@]2(C[N@H+](Cc3ccccc3OCc3ccccn3)C[C@H]2c2ccccc2)N1 ZINC000019373761 568989493 /nfs/dbraw/zinc/98/94/93/568989493.db2.gz DYVBYGGEKDWADP-RPLLCQBOSA-N 1 0 427.548 4.299 40 0 IIABRO FC(F)(F)c1cc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)ccc1Br ZINC000228937112 569182326 /nfs/dbraw/zinc/18/23/26/569182326.db2.gz HXOQIRMWBAAYOI-UHFFFAOYSA-N 1 0 441.255 4.276 40 0 IIABRO C[C@H](C(=O)Nc1ccc(CC[C@@H]2CC[N@H+](C)C[C@H]2C)cc1)n1ncc2ccccc2c1=O ZINC000248159030 569207374 /nfs/dbraw/zinc/20/73/74/569207374.db2.gz WSYMNBBJHPQMAU-SFHLNBCPSA-N 1 0 432.568 4.117 40 0 IIABRO C[C@H](CC[N@@H+]1CCC[C@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000248247507 569207468 /nfs/dbraw/zinc/20/74/68/569207468.db2.gz QYXYSPJQLRYFRP-JIPXPUAJSA-N 1 0 428.580 4.447 40 0 IIABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2C)cc1 ZINC000010111240 569221185 /nfs/dbraw/zinc/22/11/85/569221185.db2.gz CFFZOXHAXUZHOJ-UHFFFAOYSA-N 1 0 443.613 4.100 40 0 IIABRO COc1ccc2c(c1)c([C@@H](O)C[N@@H+]1CCC[C@@](O)(c3ccc(F)cc3)CC1)c(C)n2C ZINC000019581549 569227164 /nfs/dbraw/zinc/22/71/64/569227164.db2.gz NYJGQVOZZSASPR-ZCYQVOJMSA-N 1 0 426.532 4.042 40 0 IIABRO CCc1nc(-c2cncnc2[C@@H]2CC[N@H+](Cc3ccc(OC(C)C)c(COC)c3)C2)no1 ZINC000019693714 569229075 /nfs/dbraw/zinc/22/90/75/569229075.db2.gz IYAVWTFTFVRHDP-GOSISDBHSA-N 1 0 437.544 4.012 40 0 IIABRO COc1ccc(-c2nc([C@@H]3CCC[N@H+](Cc4cccc(OC(C)C)c4)C3)[nH]c2C(N)=O)cc1 ZINC000019698937 569230311 /nfs/dbraw/zinc/23/03/11/569230311.db2.gz VAUJBTCDPNHKKX-HXUWFJFHSA-N 1 0 448.567 4.351 40 0 IIABRO Cc1nc([C@@]2(O)CCC[N@@H+](C3CCOCC3)CC2)sc1CCOc1ccccc1F ZINC000019705370 569234151 /nfs/dbraw/zinc/23/41/51/569234151.db2.gz DJRBLDOJFKIFLO-HSZRJFAPSA-N 1 0 434.577 4.065 40 0 IIABRO COc1cccc(C[N@@H+]2[C@H](Cc3cccc(F)c3)C[C@@H]3NC(=O)CCCC[C@H]32)c1OC ZINC000019713937 569235810 /nfs/dbraw/zinc/23/58/10/569235810.db2.gz KKXYNGQWZHHNFA-BHIFYINESA-N 1 0 426.532 4.087 40 0 IIABRO Cc1nc(C2CC[NH+](Cc3ccccc3F)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766578 569239425 /nfs/dbraw/zinc/23/94/25/569239425.db2.gz OAFZUXDOZGWFJM-UHFFFAOYSA-N 1 0 436.506 4.373 40 0 IIABRO Cc1ccc(Nc2nccc(C3CCC(CNC(=O)[C@H]([NH3+])c4ccccc4)CC3)n2)nc1 ZINC000072380022 569250130 /nfs/dbraw/zinc/25/01/30/569250130.db2.gz AWZDZUJTWLMNDT-MTNXOHHFSA-N 1 0 430.556 4.014 40 0 IIABRO CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000019700151 569327087 /nfs/dbraw/zinc/32/70/87/569327087.db2.gz NYKBTGJNFZDQPS-UHFFFAOYSA-N 1 0 429.564 4.328 40 0 IIABRO C[NH+](C)CCCNc1nc(-c2ccncc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328996714 569582864 /nfs/dbraw/zinc/58/28/64/569582864.db2.gz JMJSSSQHVJJNDN-UHFFFAOYSA-N 1 0 432.359 4.648 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000012705854 521632837 /nfs/dbraw/zinc/63/28/37/521632837.db2.gz WNLDVXDNYWQOFM-HSZRJFAPSA-N 1 0 438.616 4.474 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)NCc1ccccc1 ZINC000012711738 521652974 /nfs/dbraw/zinc/65/29/74/521652974.db2.gz LXKKQTBIVFZNGZ-QHCPKHFHSA-N 1 0 432.568 4.033 40 0 IIABRO C[C@H](C[N@H+](C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1)c1ccccc1 ZINC000012182795 524291922 /nfs/dbraw/zinc/29/19/22/524291922.db2.gz VJFPZLJEDCFEHX-VOQZNFBZSA-N 1 0 438.572 4.122 40 0 IIABRO COc1ccc(NC(=O)N(CC[NH+]2CCCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000012705632 524538207 /nfs/dbraw/zinc/53/82/07/524538207.db2.gz APGCBZVTNTYWNG-UHFFFAOYSA-N 1 0 448.567 4.283 40 0 IIABRO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182759 526759700 /nfs/dbraw/zinc/75/97/00/526759700.db2.gz NWTKMFHFVNJVJQ-KHHDVDEJSA-N 1 0 428.577 4.041 40 0 IIABRO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]CCN1CCOCC1 ZINC000023468447 526988813 /nfs/dbraw/zinc/98/88/13/526988813.db2.gz XFELAZYNYNRONS-UHFFFAOYSA-N 1 0 439.781 4.103 40 0 IIABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000408571719 555915411 /nfs/dbraw/zinc/91/54/11/555915411.db2.gz DGPOISVHHWPGES-UHFFFAOYSA-N 1 0 437.927 4.284 40 0 IIABRO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2C)c1 ZINC000010111239 556325698 /nfs/dbraw/zinc/32/56/98/556325698.db2.gz QQQNKMJYKMOXFJ-UHFFFAOYSA-N 1 0 443.613 4.100 40 0 IIABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000034171023 556571544 /nfs/dbraw/zinc/57/15/44/556571544.db2.gz CUOSKCZUEOACLV-LPOZWGFCSA-N 1 0 440.550 4.420 40 0 IIABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044855649 556671946 /nfs/dbraw/zinc/67/19/46/556671946.db2.gz WHBQLHPYLZUFDU-GCJKJVERSA-N 1 0 426.532 4.465 40 0 IIABRO O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCC[N@@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019014772 556691995 /nfs/dbraw/zinc/69/19/95/556691995.db2.gz JAKTXKCZJLHPGB-JOCHJYFZSA-N 1 0 426.605 4.095 40 0 IIABRO CC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000019022407 556694167 /nfs/dbraw/zinc/69/41/67/556694167.db2.gz HVZDYOMOKCHBTM-JWQCQUIFSA-N 1 0 446.547 4.182 40 0 IIABRO CC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000019022412 556694249 /nfs/dbraw/zinc/69/42/49/556694249.db2.gz HVZDYOMOKCHBTM-LOSJGSFVSA-N 1 0 446.547 4.182 40 0 IIABRO O=C1O[C@@]2(CC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)CN1Cc1ccc(F)cc1 ZINC000257213611 556702706 /nfs/dbraw/zinc/70/27/06/556702706.db2.gz CIIKLVYGTASGHS-AREMUKBSSA-N 1 0 447.510 4.397 40 0 IIABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1OC ZINC000019125644 556703145 /nfs/dbraw/zinc/70/31/45/556703145.db2.gz DXFDXYQEJGKMFW-WOJBJXKFSA-N 1 0 447.959 4.050 40 0 IIABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1OC ZINC000019125651 556703296 /nfs/dbraw/zinc/70/32/96/556703296.db2.gz DXFDXYQEJGKMFW-VQTJNVASSA-N 1 0 447.959 4.050 40 0 IIABRO C[NH+]1CCC(NC(=O)C2(Cc3ccc(-c4ccc(F)c(F)c4)cc3)CCOCC2)CC1 ZINC000257316316 556703806 /nfs/dbraw/zinc/70/38/06/556703806.db2.gz VFAXMYIWGRTTEO-UHFFFAOYSA-N 1 0 428.523 4.182 40 0 IIABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133989 556705271 /nfs/dbraw/zinc/70/52/71/556705271.db2.gz HQVHPDKQPZIJTF-NRFANRHFSA-N 1 0 446.599 4.174 40 0 IIABRO COc1cccc(-c2cccc(CC3(C(=O)NCC[NH+]4CCCCC4)CCOCC3)c2)c1 ZINC000257234266 556709759 /nfs/dbraw/zinc/70/97/59/556709759.db2.gz GSVIDEHATUVLAM-UHFFFAOYSA-N 1 0 436.596 4.304 40 0 IIABRO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000257246101 556711060 /nfs/dbraw/zinc/71/10/60/556711060.db2.gz ISMRDVWGOLDBSU-MHZLTWQESA-N 1 0 447.554 4.422 40 0 IIABRO CC(=O)N(C)[C@@H]1CCOC2(CC[NH+](Cc3ccccc3OCc3cccc(F)c3)CC2)C1 ZINC000257262573 556712668 /nfs/dbraw/zinc/71/26/68/556712668.db2.gz LLYNVXYOQMUUTQ-XMMPIXPASA-N 1 0 440.559 4.397 40 0 IIABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](CC(=O)NC(C)(C)Cc3ccccc3)CC2)c(C)c1 ZINC000257276955 556714547 /nfs/dbraw/zinc/71/45/47/556714547.db2.gz NVWQRRNMHLLGHE-MHZLTWQESA-N 1 0 438.612 4.037 40 0 IIABRO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@@H](Cc2ccc3nccn3n2)C1 ZINC000257309977 556718525 /nfs/dbraw/zinc/71/85/25/556718525.db2.gz UDDXDAFFZNYPLR-FQEVSTJZSA-N 1 0 428.536 4.096 40 0 IIABRO COc1cccc(-c2n[nH]cc2C[NH2+][C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c1 ZINC000019285358 556727214 /nfs/dbraw/zinc/72/72/14/556727214.db2.gz BSSBNBOMDZAQJE-JOCHJYFZSA-N 1 0 449.942 4.204 40 0 IIABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccc(F)cc3)cc12 ZINC000000880644 556732549 /nfs/dbraw/zinc/73/25/49/556732549.db2.gz FXDYLUCUDXBJQC-UHFFFAOYSA-N 1 0 426.561 4.045 40 0 IIABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]2c2ccccn2)N1 ZINC000019401989 556753962 /nfs/dbraw/zinc/75/39/62/556753962.db2.gz YQLHBLSWOMWFTJ-RPLLCQBOSA-N 1 0 442.563 4.084 40 0 IIABRO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019447342 556756739 /nfs/dbraw/zinc/75/67/39/556756739.db2.gz KQFPFQRXJRKTFR-HHHXNRCGSA-N 1 0 428.580 4.351 40 0 IIABRO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)N(C(C)C)C(C)C)C3)cc2N1 ZINC000019451381 556762068 /nfs/dbraw/zinc/76/20/68/556762068.db2.gz CFNNHBJNQZTVQJ-ZIFCJYIRSA-N 1 0 443.558 4.261 40 0 IIABRO CCC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000019499316 556771250 /nfs/dbraw/zinc/77/12/50/556771250.db2.gz NOVXMTZAJTXZRK-DHIUTWEWSA-N 1 0 438.568 4.036 40 0 IIABRO CCN1CC[N@H+](Cc2c[nH]nc2C(C)(C)C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527707 556787056 /nfs/dbraw/zinc/78/70/56/556787056.db2.gz SKVXBTOIDWESGD-QFIPXVFZSA-N 1 0 445.611 4.292 40 0 IIABRO CCN1CC[N@H+](Cc2ccc(OC)cc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527754 556787356 /nfs/dbraw/zinc/78/73/56/556787356.db2.gz TVJBZFJLDLOLDQ-XMMPIXPASA-N 1 0 429.564 4.280 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(=O)NC)C2)cc1 ZINC000019533225 556793395 /nfs/dbraw/zinc/79/33/95/556793395.db2.gz XMTGHBCDYPKGGW-MHZLTWQESA-N 1 0 444.579 4.113 40 0 IIABRO CCOc1ccc(C[NH+]2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1OC ZINC000019533766 556793662 /nfs/dbraw/zinc/79/36/62/556793662.db2.gz CARJPXJDYDJGSN-UHFFFAOYSA-N 1 0 426.542 4.093 40 0 IIABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000019562186 556803504 /nfs/dbraw/zinc/80/35/04/556803504.db2.gz OEIARFRPPRTDFJ-WOJBJXKFSA-N 1 0 438.351 4.386 40 0 IIABRO COc1cccc(C[N@@H+]2CC[C@@](Cc3ccc(-c4cccnc4)cc3)(C(=O)N(C)C)C2)c1 ZINC000019580356 556818433 /nfs/dbraw/zinc/81/84/33/556818433.db2.gz CNODVHVFUNLZMH-MHZLTWQESA-N 1 0 429.564 4.280 40 0 IIABRO COc1ccccc1C[N@@H+]1CC[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 ZINC000019580406 556818469 /nfs/dbraw/zinc/81/84/69/556818469.db2.gz YDNMXWDLLZTSNN-MHZLTWQESA-N 1 0 429.564 4.280 40 0 IIABRO COCCn1c(C)c(C[N@@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2ccccc21 ZINC000019581935 556819882 /nfs/dbraw/zinc/81/98/82/556819882.db2.gz CKYBTQUDXWZUQU-WNCULLNHSA-N 1 0 446.595 4.020 40 0 IIABRO CCCCNC(=S)N(CCC[NH+](CC)CC)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000004162029 556820527 /nfs/dbraw/zinc/82/05/27/556820527.db2.gz FWXLKOAKQDLTGY-UHFFFAOYSA-N 1 0 430.662 4.299 40 0 IIABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccc(Cl)cc3)cc12 ZINC000004231248 556820569 /nfs/dbraw/zinc/82/05/69/556820569.db2.gz SWWIFCLLLJAHJL-UHFFFAOYSA-N 1 0 426.948 4.394 40 0 IIABRO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000019591275 556826491 /nfs/dbraw/zinc/82/64/91/556826491.db2.gz NMFNQCHYYPBBNJ-MHZLTWQESA-N 1 0 429.564 4.328 40 0 IIABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@@H+]2Cc2ccccc2Cl)n1 ZINC000019690448 556846384 /nfs/dbraw/zinc/84/63/84/556846384.db2.gz XWTQNDQEODHYAF-OAQYLSRUSA-N 1 0 435.959 4.299 40 0 IIABRO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)c(C)n1 ZINC000019694343 556850103 /nfs/dbraw/zinc/85/01/03/556850103.db2.gz MPKGZYHROMUCOG-HSZRJFAPSA-N 1 0 434.588 4.470 40 0 IIABRO CNC(=O)c1[nH]c(C2CC[NH+](Cc3ccc(C)cc3OC)CC2)nc1-c1ccc(OC)cc1 ZINC000019696981 556854099 /nfs/dbraw/zinc/85/40/99/556854099.db2.gz HZCFTHQZMKYXDU-UHFFFAOYSA-N 1 0 448.567 4.142 40 0 IIABRO Cn1c(=O)oc2cc(NC(=O)CC3CC[NH+](Cc4cccc(C(F)(F)F)c4)CC3)ccc21 ZINC000019748867 556893275 /nfs/dbraw/zinc/89/32/75/556893275.db2.gz JBEKPTASZHDZFK-UHFFFAOYSA-N 1 0 447.457 4.391 40 0 IIABRO C/C(=C\c1ccccc1)C[NH+]1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 ZINC000019756404 556900312 /nfs/dbraw/zinc/90/03/12/556900312.db2.gz HQBCHODWIUYJLV-LTGZKZEYSA-N 1 0 443.595 4.103 40 0 IIABRO O=C(NC1CCCC1)c1cncnc1CC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000019756861 556900879 /nfs/dbraw/zinc/90/08/79/556900879.db2.gz VCKYAOFGMMAHAF-UHFFFAOYSA-N 1 0 429.568 4.152 40 0 IIABRO CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000072345258 556916731 /nfs/dbraw/zinc/91/67/31/556916731.db2.gz MMZSINOZTIUDCC-UHFFFAOYSA-N 1 0 429.564 4.328 40 0 IIABRO COCCNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000072352297 556923677 /nfs/dbraw/zinc/92/36/77/556923677.db2.gz ATMOMUOMTSBHCE-MRXNPFEDSA-N 1 0 440.613 4.288 40 0 IIABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409052633 556931086 /nfs/dbraw/zinc/93/10/86/556931086.db2.gz HKSGOKHYOIUVAT-MAEDJNRBSA-O 1 0 439.322 4.010 40 0 IIABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000072359213 556932121 /nfs/dbraw/zinc/93/21/21/556932121.db2.gz ISSOANAQERAUTK-SFHVURJKSA-N 1 0 432.490 4.210 40 0 IIABRO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](c3cc(CCOc4ccccc4F)n[nH]3)C1)CO2 ZINC000072371498 556939091 /nfs/dbraw/zinc/93/90/91/556939091.db2.gz BXCFZGCZCZXQMS-LJQANCHMSA-N 1 0 449.526 4.444 40 0 IIABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409062687 556940049 /nfs/dbraw/zinc/94/00/49/556940049.db2.gz YYJDLZMSWSMPLA-CIPQKONYSA-O 1 0 439.322 4.010 40 0 IIABRO Cc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 ZINC000409065319 556941315 /nfs/dbraw/zinc/94/13/15/556941315.db2.gz FYKRQKUIYLRMHW-JLUQKLKGSA-O 1 0 426.540 4.135 40 0 IIABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2CC(=O)N2CCCc3ccccc32)[nH+]1 ZINC000072372488 556942825 /nfs/dbraw/zinc/94/28/25/556942825.db2.gz OIRZLQYYVNUAAU-QHCPKHFHSA-N 1 0 428.540 4.040 40 0 IIABRO C[C@H](CCC(=O)N1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1)[NH+]1CCCC1 ZINC000072374306 556947640 /nfs/dbraw/zinc/94/76/40/556947640.db2.gz QIZQXCMCOURPEV-GOSISDBHSA-N 1 0 425.552 4.330 40 0 IIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2)n1 ZINC000072374886 556949474 /nfs/dbraw/zinc/94/94/74/556949474.db2.gz GPCXXFFYDIYQRY-IBGZPJMESA-N 1 0 437.569 4.109 40 0 IIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)CC4(O)CCCCC4)C3)c2)n1 ZINC000072375011 556950069 /nfs/dbraw/zinc/95/00/69/556950069.db2.gz MCBYFCOKWBATQQ-HXUWFJFHSA-N 1 0 437.588 4.332 40 0 IIABRO Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(C(=O)CCN(C)c3cccc(F)c3)C2)[nH+]1 ZINC000072375065 556950325 /nfs/dbraw/zinc/95/03/25/556950325.db2.gz YCOPXUOOACTPAC-LJQANCHMSA-N 1 0 448.546 4.295 40 0 IIABRO Cc1csc(Nc2cccc([C@H]3CCC[N@H+]3Cc3ccc4c(c3)n(C)c(=O)n4C)n2)n1 ZINC000072375656 556952237 /nfs/dbraw/zinc/95/22/37/556952237.db2.gz VBLXFFOGBQINFL-GOSISDBHSA-N 1 0 434.569 4.118 40 0 IIABRO O=C(COc1ccc(Cl)cc1Br)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189412 557140062 /nfs/dbraw/zinc/14/00/62/557140062.db2.gz QJNYTXRXRQRIHI-UHFFFAOYSA-N 1 0 437.765 4.394 40 0 IIABRO CN1CCN(C(=O)C[C@H]2CC3(CC[NH+](Cc4ccc(F)cc4)CC3)c3ccccc32)CC1 ZINC000096052938 557166443 /nfs/dbraw/zinc/16/64/43/557166443.db2.gz WTTTXIQGHMMCER-QFIPXVFZSA-N 1 0 435.587 4.011 40 0 IIABRO CCc1ccc(NC(=O)N2CCC3(C[N@@H+](CC(C)C)C[C@@]34CCN(CC)C4=O)CC2)cc1 ZINC000096144343 557172042 /nfs/dbraw/zinc/17/20/42/557172042.db2.gz QZRIOYAOEXRHIF-AREMUKBSSA-N 1 0 440.632 4.073 40 0 IIABRO CCc1ccc(NC(=O)N2CCC3(C[N@@H+](CC(C)C)C[C@]34CCN(CC)C4=O)CC2)cc1 ZINC000096144344 557172112 /nfs/dbraw/zinc/17/21/12/557172112.db2.gz QZRIOYAOEXRHIF-SANMLTNESA-N 1 0 440.632 4.073 40 0 IIABRO COCCn1c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc2c1c1ccccc1n2C(C)C ZINC000096146368 557176663 /nfs/dbraw/zinc/17/66/63/557176663.db2.gz OUVFDKQUKSCCKU-UHFFFAOYSA-N 1 0 445.567 4.181 40 0 IIABRO O=C1CCC[C@]2(C[N@@H+](Cc3ccccc3OCc3ccccn3)C[C@H]2c2cccc(F)c2)N1 ZINC000585261696 557195730 /nfs/dbraw/zinc/19/57/30/557195730.db2.gz OFWUFUMNUMVOBG-RPLLCQBOSA-N 1 0 445.538 4.438 40 0 IIABRO O=C1CCC[C@]2(C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@H]2c2cccc(F)c2)N1 ZINC000585261687 557195782 /nfs/dbraw/zinc/19/57/82/557195782.db2.gz INDZLUVTBXYGAV-RPLLCQBOSA-N 1 0 445.538 4.438 40 0 IIABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccccc3OC[C@H]3CCCO3)C[C@H]2c2ccccc2)N1 ZINC000585261705 557196402 /nfs/dbraw/zinc/19/64/02/557196402.db2.gz XOJXRERVKAHGSV-ONBPZOJHSA-N 1 0 434.580 4.273 40 0 IIABRO CC[NH+](CC)CCCNC(=O)[C@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000585262480 557202186 /nfs/dbraw/zinc/20/21/86/557202186.db2.gz CEMGBKQTVRBCKJ-AREMUKBSSA-N 1 0 442.575 4.441 40 0 IIABRO CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC3)n2)s1 ZINC000585263413 557203753 /nfs/dbraw/zinc/20/37/53/557203753.db2.gz HYBVJNJNUWROMN-SFHVURJKSA-N 1 0 430.622 4.017 40 0 IIABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3cccc(OCCn4ccnc4)c3)CC2)c(C)c1 ZINC000585270247 557214122 /nfs/dbraw/zinc/21/41/22/557214122.db2.gz ASRBXFXOSPGLAA-MHZLTWQESA-N 1 0 449.595 4.375 40 0 IIABRO Cc1nccn1CCCOc1ccc(C[NH+]2CCC(O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585271846 557216210 /nfs/dbraw/zinc/21/62/10/557216210.db2.gz DLUBUGZJEXEUOK-UHFFFAOYSA-N 1 0 449.595 4.375 40 0 IIABRO COc1ccc(OC)c(C[NH+]2CCC([C@H](NC(=O)CC(C)C)c3ccccn3)CC2)c1 ZINC000057774023 557263654 /nfs/dbraw/zinc/26/36/54/557263654.db2.gz BQOLDRJBAWEMME-VWLOTQADSA-N 1 0 425.573 4.214 40 0 IIABRO Fc1ccccc1[C@@H](c1nnnn1CCc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022929953 557274293 /nfs/dbraw/zinc/27/42/93/557274293.db2.gz YERMKNHPRHJIIY-VWLOTQADSA-N 1 0 448.590 4.095 40 0 IIABRO CCOc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1Cl ZINC000023471972 557315037 /nfs/dbraw/zinc/31/50/37/557315037.db2.gz XYEXIZMOJFVGHI-OAHLLOKOSA-N 1 0 427.372 4.031 40 0 IIABRO CC[NH+](CC)CCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccoc1C ZINC000013512230 557333121 /nfs/dbraw/zinc/33/31/21/557333121.db2.gz IOSOOUGYIISQBV-UHFFFAOYSA-N 1 0 445.564 4.448 40 0 IIABRO O=C(NCc1nc(-c2ccccc2Cl)no1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222600217 557359171 /nfs/dbraw/zinc/35/91/71/557359171.db2.gz DAXYBFSABZXFST-INIZCTEOSA-N 1 0 428.895 4.058 40 0 IIABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1Cc1ccccc1 ZINC000223222967 557447687 /nfs/dbraw/zinc/44/76/87/557447687.db2.gz MPPVGGPIWWOAMV-JWQCQUIFSA-N 1 0 447.652 4.472 40 0 IIABRO Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1C ZINC000223239612 557449914 /nfs/dbraw/zinc/44/99/14/557449914.db2.gz XBUFGXGKBFOWNO-ZEQRLZLVSA-N 1 0 433.625 4.413 40 0 IIABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000223257770 557451813 /nfs/dbraw/zinc/45/18/13/557451813.db2.gz OJLAHLYDDXYKAO-RTWAWAEBSA-N 1 0 448.621 4.016 40 0 IIABRO Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)ccc1Cl ZINC000223281608 557455238 /nfs/dbraw/zinc/45/52/38/557455238.db2.gz JHNXCOQVPLCIAO-VXKWHMMOSA-N 1 0 440.016 4.368 40 0 IIABRO C[NH+]1CCN(c2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)CC1 ZINC000223916608 557528539 /nfs/dbraw/zinc/52/85/39/557528539.db2.gz YIBLXDCYMVOKQY-UHFFFAOYSA-N 1 0 441.988 4.233 40 0 IIABRO COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)c1 ZINC000224522905 557616177 /nfs/dbraw/zinc/61/61/77/557616177.db2.gz POGNZQSENPDLBH-GOTSBHOMSA-N 1 0 427.533 4.453 40 0 IIABRO Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000225056689 557683874 /nfs/dbraw/zinc/68/38/74/557683874.db2.gz KKBDUFWNQZQKDX-XLNRJJMWSA-N 1 0 425.598 4.066 40 0 IIABRO COc1cc(C[NH+]2CCC(NC(=S)Nc3cccc(C)c3C)CC2)cc(OC)c1OC ZINC000225228347 557702672 /nfs/dbraw/zinc/70/26/72/557702672.db2.gz KZOCGQNYMLYUQT-UHFFFAOYSA-N 1 0 443.613 4.280 40 0 IIABRO CCc1ccccc1NC(=S)NC1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000225229089 557702883 /nfs/dbraw/zinc/70/28/83/557702883.db2.gz KTYKOPYBZPFPMN-UHFFFAOYSA-N 1 0 443.613 4.226 40 0 IIABRO CCCNC(=O)c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000225440472 557723023 /nfs/dbraw/zinc/72/30/23/557723023.db2.gz LLYUGHWJERYNKC-UHFFFAOYSA-N 1 0 428.580 4.320 40 0 IIABRO Cc1cccn2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[NH2+][C@H]4Cc3ccccc3)nc12 ZINC000257201251 568665654 /nfs/dbraw/zinc/66/56/54/568665654.db2.gz AGWUXXJFKUYRIQ-VPAAKTDSSA-N 1 0 428.580 4.389 40 0 IIABRO C[N@H+](CCC(=O)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1)Cc1ccccn1 ZINC000257211420 568670516 /nfs/dbraw/zinc/67/05/16/568670516.db2.gz BYUJEJMYGSUNDZ-JOCHJYFZSA-N 1 0 435.959 4.378 40 0 IIABRO Cc1nc2cc([C@@H]3CC[N@H+](Cc4ccccc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257221421 568674940 /nfs/dbraw/zinc/67/49/40/568674940.db2.gz DOYVIJIMYOQJAU-OAQYLSRUSA-N 1 0 433.600 4.183 40 0 IIABRO CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)CC4CC[NH+](CC)CC4)C3)n2)s1 ZINC000257229191 568678348 /nfs/dbraw/zinc/67/83/48/568678348.db2.gz FXBJBYADNONIAR-GOSISDBHSA-N 1 0 442.633 4.067 40 0 IIABRO COc1cc(C)ccc1OCC(=O)N1[C@@H]2CCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257234757 568681314 /nfs/dbraw/zinc/68/13/14/568681314.db2.gz GUYKLRJDZHUBLN-JVGAGOSJSA-N 1 0 434.580 4.125 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257243308 568685269 /nfs/dbraw/zinc/68/52/69/568685269.db2.gz IGHXUMIMRSTAPJ-FQEVSTJZSA-N 1 0 433.531 4.188 40 0 IIABRO CCCN1CC[N@H+](Cc2[nH]c(CC)nc2C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257244829 568686162 /nfs/dbraw/zinc/68/61/62/568686162.db2.gz IMZXXNGPQFEQOQ-QHCPKHFHSA-N 1 0 445.611 4.256 40 0 IIABRO Cc1ccccc1C[N@@H+]1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC(C)(C)C)c(C)n3n2)C1 ZINC000257247941 568687606 /nfs/dbraw/zinc/68/76/06/568687606.db2.gz JBFTZRCIZKAZLA-JOCHJYFZSA-N 1 0 447.627 4.491 40 0 IIABRO O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H](Cc2cccc3nccn32)CC1 ZINC000257271176 568698161 /nfs/dbraw/zinc/69/81/61/568698161.db2.gz MXDPCHWLMULFGR-LJQANCHMSA-N 1 0 427.508 4.402 40 0 IIABRO CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCC[NH+](C)C)cc4)OCC[C@@]31C2 ZINC000257284125 568704126 /nfs/dbraw/zinc/70/41/26/568704126.db2.gz PBHUURLFJPCNLK-CGYAQOIHSA-N 1 0 428.617 4.282 40 0 IIABRO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3)C2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000257288630 568706340 /nfs/dbraw/zinc/70/63/40/568706340.db2.gz PVALFIPKNHTEFL-QHCPKHFHSA-N 1 0 426.564 4.296 40 0 IIABRO Cc1nc2cc([C@@H]3CCCN3Cc3ccccc3F)nn2c(C)c1CCC(=O)NC(C)C ZINC000257302871 568712417 /nfs/dbraw/zinc/71/24/17/568712417.db2.gz SESZXYZGAIMOAT-QHCPKHFHSA-N 1 0 437.563 4.280 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000257329811 568724242 /nfs/dbraw/zinc/72/42/42/568724242.db2.gz XLPVYXJHZACUET-GJZUVCINSA-N 1 0 440.559 4.194 40 0 IIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5cccc(C)n5)C4)nn3c2)c1OC ZINC000306124197 568763060 /nfs/dbraw/zinc/76/30/60/568763060.db2.gz BIYUJJJMCVREHI-FQEVSTJZSA-N 1 0 443.551 4.497 40 0 IIABRO O=C(NC[C@H]1CC[C@]2(COCC[N@H+](Cc3ccccc3)C2)O1)c1ccc(Cl)c(Cl)c1 ZINC000306133339 568767918 /nfs/dbraw/zinc/76/79/18/568767918.db2.gz MIRBRQWNQWKBSX-XXBNENTESA-N 1 0 449.378 4.173 40 0 IIABRO Cc1cccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC000306138023 568770524 /nfs/dbraw/zinc/77/05/24/568770524.db2.gz RMZPFTMMHLZUFD-RPLLCQBOSA-N 1 0 443.595 4.186 40 0 IIABRO Cc1ncsc1C[NH+]1CCC2(CC1)c1ccccc1N(Cc1ccccc1)S2(=O)=O ZINC000306139501 568771225 /nfs/dbraw/zinc/77/12/25/568771225.db2.gz SYVHJIBVCRCSAE-UHFFFAOYSA-N 1 0 439.606 4.293 40 0 IIABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306141733 568772389 /nfs/dbraw/zinc/77/23/89/568772389.db2.gz WEXXIWRMGLSNOW-URXFXBBRSA-N 1 0 426.992 4.346 40 0 IIABRO C[NH+](C)CCCNc1nc(Nc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329013942 568809218 /nfs/dbraw/zinc/80/92/18/568809218.db2.gz MRYHBSMSQZPTLF-UHFFFAOYSA-N 1 0 449.452 4.132 40 0 IIABRO CC(C)c1nc(N2CCc3ccc(Br)cc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329051428 568810611 /nfs/dbraw/zinc/81/06/11/568810611.db2.gz UXACRHCFOHDMBS-GOSISDBHSA-N 1 0 433.394 4.354 40 0 IIABRO C[C@@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC(C)(C)C1 ZINC000034171018 568896175 /nfs/dbraw/zinc/89/61/75/568896175.db2.gz JPXOJNVGGPAPIF-DUXKGJEZSA-N 1 0 428.539 4.420 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)c1 ZINC000019565027 569226951 /nfs/dbraw/zinc/22/69/51/569226951.db2.gz OWNMDAOWONQVCU-WNCULLNHSA-N 1 0 429.564 4.402 40 0 IIABRO CC(C)COc1ccccc1C[N@@H+]1CC[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019686900 569227490 /nfs/dbraw/zinc/22/74/90/569227490.db2.gz AJSJKQPBGOWHLX-HXUWFJFHSA-N 1 0 432.572 4.024 40 0 IIABRO COc1ccc(-c2n[nH]cc2C[N@@H+]2[C@@H]3CCCC(=O)N[C@H]3C[C@H]2c2ccccc2F)cc1 ZINC000019711744 569234905 /nfs/dbraw/zinc/23/49/05/569234905.db2.gz FFZXOCNOXYGPTR-ZRBLBEILSA-N 1 0 434.515 4.209 40 0 IIABRO COc1ccccc1-c1ccccc1C[N@@H+]1CC[C@H](c2nc(C)c3c(n2)N(C)C(=O)CC3)C1 ZINC000019739001 569236337 /nfs/dbraw/zinc/23/63/37/569236337.db2.gz UTVGSIOIVJOBPH-FQEVSTJZSA-N 1 0 442.563 4.359 40 0 IIABRO COc1ccc2c(c1)c(C[N@@H+]1CCC[C@@H](c3ncc(C(=O)N(C)C)c(C)n3)C1)cn2C(C)C ZINC000019763636 569238108 /nfs/dbraw/zinc/23/81/08/569238108.db2.gz INCOZJKEUBQREW-LJQANCHMSA-N 1 0 449.599 4.411 40 0 IIABRO COc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC[N@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855510 569249340 /nfs/dbraw/zinc/24/93/40/569249340.db2.gz AQNZQDWAZCGMJZ-PGRDOPGGSA-N 1 0 426.532 4.465 40 0 IIABRO CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2ccccc2OC)CC1 ZINC000019700156 569327043 /nfs/dbraw/zinc/32/70/43/569327043.db2.gz FVUAAZPTBGLCKC-UHFFFAOYSA-N 1 0 429.564 4.328 40 0 IIABRO COc1ccc(C[NH+]2CCC(Cc3cccc(-c4ccncc4)c3)(C(N)=O)CC2)cc1OC ZINC000019700477 569327158 /nfs/dbraw/zinc/32/71/58/569327158.db2.gz XOIRNYSVDRNCQA-UHFFFAOYSA-N 1 0 445.563 4.076 40 0 IIABRO Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccn2)nc(NCCC[NH+](C)C)n1 ZINC000329032199 569584067 /nfs/dbraw/zinc/58/40/67/569584067.db2.gz QMFPKSPJKMSEKB-UHFFFAOYSA-N 1 0 446.477 4.853 40 0 IIABRO COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3cnc4ccccc4c3)n2)cn1 ZINC000049155079 291382170 /nfs/dbraw/zinc/38/21/70/291382170.db2.gz LUMUBEXLENDYDA-NRFANRHFSA-N 1 0 430.512 4.075 40 0 biogenic,in-vitro IIABRO CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[N@H+](C)Cc2ccccc2)c1 ZINC000067870699 291384078 /nfs/dbraw/zinc/38/40/78/291384078.db2.gz VICWOGQELNUADA-QNWVGRARSA-N 1 0 438.641 4.372 40 0 biogenic,in-vitro IIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NCc1ccccc1 ZINC000012635525 521633376 /nfs/dbraw/zinc/63/33/76/521633376.db2.gz JGBICDYUELOJES-HSZRJFAPSA-N 1 0 448.636 4.198 40 0 IIABRO COc1ccccc1CNC(=O)c1cnc(C2CC[NH+](CC3CCCCC3)CC2)nc1C ZINC000019766562 524485481 /nfs/dbraw/zinc/48/54/81/524485481.db2.gz SIUJQWDGANZZAF-UHFFFAOYSA-N 1 0 436.600 4.483 40 0 IIABRO O=C(Nc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000020503140 527395077 /nfs/dbraw/zinc/39/50/77/527395077.db2.gz ODSHBLSUKJHLIY-RBUKOAKNSA-N 1 0 432.499 4.251 40 0 biogenic,in-vitro IIABRO Cn1nnnc1SCCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000022109367 527659853 /nfs/dbraw/zinc/65/98/53/527659853.db2.gz XFULYIPMYKAOHV-UHFFFAOYSA-N 1 0 437.544 4.353 40 0 IIABRO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)C(C)(C)C)c(C)c1 ZINC000009329723 555556738 /nfs/dbraw/zinc/55/67/38/555556738.db2.gz NOGABQKHFOYBGO-ODAXIHTASA-N 1 0 428.532 4.434 40 0 IIABRO COc1ccc([C@@H]2C[C@@H](OC(=O)CCc3ccc(O)cc3)C[C@H]3CCCC[N@@H+]32)cc1O ZINC000003847182 555948354 /nfs/dbraw/zinc/94/83/54/555948354.db2.gz TYTIBYQBVJUCGJ-HJNYFJLDSA-N 1 0 425.525 4.340 40 0 IIABRO CCOC(=O)C1(c2ccccc2)CC[NH+](C[C@@H](O)COc2cc(C)ccc2C(C)C)CC1 ZINC000005179445 556035519 /nfs/dbraw/zinc/03/55/19/556035519.db2.gz CVUZDESWDDVEBS-HSZRJFAPSA-N 1 0 439.596 4.455 40 0 IIABRO CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)[NH+]2CCCC2)cc1 ZINC000028296079 556451448 /nfs/dbraw/zinc/45/14/48/556451448.db2.gz DKNUZRLUIYRGRR-QHCPKHFHSA-N 1 0 435.524 4.316 40 0 IIABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000030536192 556497328 /nfs/dbraw/zinc/49/73/28/556497328.db2.gz CBNCTWIBWLFNAD-UHFFFAOYSA-N 1 0 449.576 4.013 40 0 IIABRO COc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3ccc(F)cc3)CC1)CC(C)(C)O2 ZINC000044855541 556672039 /nfs/dbraw/zinc/67/20/39/556672039.db2.gz SUKCSRIRNWGVNT-QFIPXVFZSA-N 1 0 426.532 4.465 40 0 IIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000019021111 556693640 /nfs/dbraw/zinc/69/36/40/556693640.db2.gz LMVPJOZVZIEYOE-UHFFFAOYSA-N 1 0 433.527 4.427 40 0 IIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000019021127 556693664 /nfs/dbraw/zinc/69/36/64/556693664.db2.gz NJZHAYNJBXETMD-UHFFFAOYSA-N 1 0 433.527 4.427 40 0 IIABRO C[C@H](C(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1)[NH+]1CCCC1 ZINC000019078739 556695427 /nfs/dbraw/zinc/69/54/27/556695427.db2.gz QYNZWUREGWOSCQ-XXBNENTESA-N 1 0 442.567 4.430 40 0 IIABRO CC(C)(C)C(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000019081216 556695871 /nfs/dbraw/zinc/69/58/71/556695871.db2.gz CLRAWDCORFOQBH-OAQYLSRUSA-N 1 0 442.648 4.282 40 0 IIABRO COc1ccc(C[NH+]2CCC(c3cc4nc(C)cc(C(F)(F)F)n4n3)CC2)cc1OC ZINC000019117213 556700302 /nfs/dbraw/zinc/70/03/02/556700302.db2.gz APYXTKPITHCCJL-UHFFFAOYSA-N 1 0 434.462 4.453 40 0 IIABRO O=C1O[C@@]2(CC[N@H+](Cc3ccccc3OCc3cccnc3)C2)CN1Cc1ccc(F)cc1 ZINC000257207296 556702046 /nfs/dbraw/zinc/70/20/46/556702046.db2.gz BHDGLMNLWZFSLP-AREMUKBSSA-N 1 0 447.510 4.397 40 0 IIABRO COc1ccccc1-c1cccc(C[C@]2(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)CCCO2)c1 ZINC000257218450 556703363 /nfs/dbraw/zinc/70/33/63/556703363.db2.gz DDFGDFAMEXDXDS-IDISGSTGSA-N 1 0 436.596 4.445 40 0 IIABRO Cc1ccc(OCC2(O)CC[NH+](Cc3cccc(OCCCn4ccnc4)c3)CC2)cc1 ZINC000257325926 556704921 /nfs/dbraw/zinc/70/49/21/556704921.db2.gz WVAXXEFEVWGOJM-UHFFFAOYSA-N 1 0 435.568 4.067 40 0 IIABRO Fc1cccc(COc2ccccc2C[N@@H+]2CCOC[C@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257221086 556707862 /nfs/dbraw/zinc/70/78/62/556707862.db2.gz DNKIEROAYUSAER-OAQYLSRUSA-N 1 0 446.526 4.139 40 0 IIABRO COc1ccccc1-c1ccc(CC2(C(=O)NCC[NH+]3CCCCC3)CCOCC2)cc1 ZINC000257245994 556711121 /nfs/dbraw/zinc/71/11/21/556711121.db2.gz IRZQXEFUZRLBFE-UHFFFAOYSA-N 1 0 436.596 4.304 40 0 IIABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](CC(=O)NC(C)(C)Cc3ccccc3)CC2)c(C)c1 ZINC000257276954 556714626 /nfs/dbraw/zinc/71/46/26/556714626.db2.gz NVWQRRNMHLLGHE-HHHXNRCGSA-N 1 0 438.612 4.037 40 0 IIABRO Cn1ccnc1COc1ccc(C[NH+]2CCC(O)(COc3cccc(Cl)c3)CC2)cc1 ZINC000257303726 556717748 /nfs/dbraw/zinc/71/77/48/556717748.db2.gz SILNTVQGRYBXKQ-UHFFFAOYSA-N 1 0 441.959 4.058 40 0 IIABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019235962 556720541 /nfs/dbraw/zinc/72/05/41/556720541.db2.gz DYUBELNMYPLFLG-LJQANCHMSA-N 1 0 432.572 4.164 40 0 IIABRO Cc1cccc2c1[nH]c([C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C1)c2-c1ccncc1 ZINC000019236507 556721090 /nfs/dbraw/zinc/72/10/90/556721090.db2.gz USHNZPHAQUHSDY-RBBKRZOGSA-N 1 0 446.595 4.213 40 0 IIABRO O=C(C=Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019368491 556746619 /nfs/dbraw/zinc/74/66/19/556746619.db2.gz LGXBWKCUEZNPJY-ZVQQDINOSA-N 1 0 432.568 4.250 40 0 IIABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)Cc4ccsc4)[nH]c(=O)c3C2)CC1 ZINC000019496000 556768742 /nfs/dbraw/zinc/76/87/42/556768742.db2.gz WPJMIYFDTPFYII-QYGXFBIXSA-N 1 0 440.613 4.087 40 0 IIABRO CCc1ncc(C[N@@H+]2CC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(=O)N(C)C)C2)cn1 ZINC000019523312 556780474 /nfs/dbraw/zinc/78/04/74/556780474.db2.gz KCQCSLJCIFBUDQ-MHZLTWQESA-N 1 0 428.580 4.229 40 0 IIABRO CCN1CC[N@H+](Cc2ccccc2OC)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527715 556787485 /nfs/dbraw/zinc/78/74/85/556787485.db2.gz SXPHEIJSNNYTAC-DEOSSOPVSA-N 1 0 429.564 4.280 40 0 IIABRO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2ccccc2OC)C1 ZINC000019529152 556790584 /nfs/dbraw/zinc/79/05/84/556790584.db2.gz UJIHIXVOCZLHRQ-HHHXNRCGSA-N 1 0 429.564 4.328 40 0 IIABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1OC ZINC000019559914 556801532 /nfs/dbraw/zinc/80/15/32/556801532.db2.gz BYEUQUDBJGXVEW-DHIUTWEWSA-N 1 0 449.547 4.241 40 0 IIABRO COc1cc(C[N@H+](C)C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)ccc1OC(F)F ZINC000002638503 556801703 /nfs/dbraw/zinc/80/17/03/556801703.db2.gz MDWWFSJAMFUYHX-OTWHNJEPSA-N 1 0 425.516 4.098 40 0 IIABRO COc1ccc(CC(=O)N2C[C@@H]3CCCC[N@H+](Cc4ccc(F)c(F)c4)[C@@H]3C2)cc1OC ZINC000019560552 556802039 /nfs/dbraw/zinc/80/20/39/556802039.db2.gz AEPQFHHYSZSTEC-SIKLNZKXSA-N 1 0 444.522 4.038 40 0 IIABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2NC(=O)CCc2ccco2)cc1OC ZINC000019561448 556802868 /nfs/dbraw/zinc/80/28/68/556802868.db2.gz JXKSFLHIZPZKKZ-PKTZIBPZSA-N 1 0 434.536 4.014 40 0 IIABRO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+](CC)CC)C(=S)NCC(C)C)cc2c1 ZINC000004162019 556820283 /nfs/dbraw/zinc/82/02/83/556820283.db2.gz CUJPCKQOTBWWBD-UHFFFAOYSA-N 1 0 430.662 4.155 40 0 IIABRO COc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)COc3ccccc3)n2)cc1 ZINC000004169387 556820601 /nfs/dbraw/zinc/82/06/01/556820601.db2.gz YYHVAKWMUGGZPQ-UHFFFAOYSA-N 1 0 425.554 4.182 40 0 IIABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1C ZINC000004231202 556820612 /nfs/dbraw/zinc/82/06/12/556820612.db2.gz HREIEXKBQUXOJH-UHFFFAOYSA-N 1 0 426.948 4.394 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(N)n4nc(-c5ccoc5C)cc4n3)C2)c1OC ZINC000019583107 556820794 /nfs/dbraw/zinc/82/07/94/556820794.db2.gz OXXZVBIBDGOKOC-QGZVFWFLSA-N 1 0 447.539 4.277 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000019591282 556826542 /nfs/dbraw/zinc/82/65/42/556826542.db2.gz OLQFSRRIDRNDHJ-RUZDIDTESA-N 1 0 434.971 4.368 40 0 IIABRO Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000006300518 556832071 /nfs/dbraw/zinc/83/20/71/556832071.db2.gz ICSGXVNZMLMBBZ-UHFFFAOYSA-N 1 0 442.654 4.035 40 0 IIABRO CC1(C)CC(CC(=O)N2CCC[C@@H]2c2ccc(-c3cccc(C(N)=O)c3)cn2)CC(C)(C)[NH2+]1 ZINC000019688944 556843744 /nfs/dbraw/zinc/84/37/44/556843744.db2.gz GOUJEZUDHMUJMV-HSZRJFAPSA-N 1 0 448.611 4.458 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695719 556852420 /nfs/dbraw/zinc/85/24/20/556852420.db2.gz UNIFSOZCYLFWNR-OAQYLSRUSA-N 1 0 445.542 4.178 40 0 IIABRO CC(C)Oc1ccccc1C[NH+]1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1 ZINC000019757033 556901171 /nfs/dbraw/zinc/90/11/71/556901171.db2.gz BIAPYBPAEKCUSM-UHFFFAOYSA-N 1 0 436.600 4.391 40 0 IIABRO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(Br)cc3)c(Cl)cc2N)CC1 ZINC000072229306 556901298 /nfs/dbraw/zinc/90/12/98/556901298.db2.gz CZOXGUSOHFIZDB-UHFFFAOYSA-N 1 0 437.769 4.079 40 0 IIABRO CC(C)CNC(=O)c1cc([C@H]2CC[N@H+](Cc3cccnc3N(C)C)C2)nc2ccccc21 ZINC000019761840 556905569 /nfs/dbraw/zinc/90/55/69/556905569.db2.gz DAFFFHJXRKHREF-IBGZPJMESA-N 1 0 431.584 4.071 40 0 IIABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330464 556905714 /nfs/dbraw/zinc/90/57/14/556905714.db2.gz KPSGNWCGUSETNL-HOFKKMOUSA-N 1 0 429.564 4.402 40 0 IIABRO CCn1cc(C[N@@H+]2CC[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)c2cc(OC)ccc21 ZINC000019761970 556905978 /nfs/dbraw/zinc/90/59/78/556905978.db2.gz JLGXFCNUXIUHJO-QGZVFWFLSA-N 1 0 428.536 4.306 40 0 IIABRO COc1ccc(C)cc1C[NH+]1CCC(c2nnc([C@H]3CCCCN3C(=O)C(C)C)o2)CC1 ZINC000072344930 556916077 /nfs/dbraw/zinc/91/60/77/556916077.db2.gz OSDYGTLMQAKSER-OAQYLSRUSA-N 1 0 440.588 4.476 40 0 IIABRO COc1ccc(CCN2C(=O)Cc3c2nc(C2CC[NH+](C4CCCCC4)CC2)nc3C)cc1 ZINC000072355726 556930431 /nfs/dbraw/zinc/93/04/31/556930431.db2.gz VVXONGUOMDCHAF-UHFFFAOYSA-N 1 0 448.611 4.438 40 0 IIABRO CC(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000409052962 556931045 /nfs/dbraw/zinc/93/10/45/556931045.db2.gz FRIUJCARQMGPMM-GXTRAYHQSA-O 1 0 446.958 4.480 40 0 IIABRO O=C(C[NH+]1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1)N1CCCCC1 ZINC000072359369 556932411 /nfs/dbraw/zinc/93/24/11/556932411.db2.gz KBTBQVBFTMGXRR-UHFFFAOYSA-N 1 0 432.490 4.354 40 0 IIABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000409058608 556935709 /nfs/dbraw/zinc/93/57/09/556935709.db2.gz TZJPBHCYKHSKDS-IQUGWNQFSA-O 1 0 439.322 4.010 40 0 IIABRO CN(C(=O)C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1)C1CCCCC1 ZINC000072371245 556938060 /nfs/dbraw/zinc/93/80/60/556938060.db2.gz DETGXKDLFNLRTH-SFHVURJKSA-N 1 0 445.007 4.265 40 0 IIABRO CCn1cc(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000072371662 556940140 /nfs/dbraw/zinc/94/01/40/556940140.db2.gz KFTQCSVHKXLDCI-QGZVFWFLSA-N 1 0 433.478 4.256 40 0 IIABRO CC(C)[N@@H+]1CCC[C@H](c2cccc(CC3(C(=O)NCc4ccccn4)CCOCC3)c2)C1 ZINC000072372251 556941855 /nfs/dbraw/zinc/94/18/55/556941855.db2.gz UQYKJLLOVQANEQ-DEOSSOPVSA-N 1 0 435.612 4.325 40 0 IIABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(CC(=O)N3CCCc4ccccc43)C2)[nH+]1 ZINC000072374855 556949074 /nfs/dbraw/zinc/94/90/74/556949074.db2.gz WVUMFLCWOGUHHS-OAQYLSRUSA-N 1 0 442.567 4.082 40 0 IIABRO Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)[nH+]1 ZINC000072374912 556949324 /nfs/dbraw/zinc/94/93/24/556949324.db2.gz AVVCGILXXKRQDK-INIZCTEOSA-N 1 0 443.960 4.145 40 0 IIABRO COc1ccccc1S(=O)(=O)N1CCC[C@H](c2cc(Nc3ccccn3)cc(C)[nH+]2)C1 ZINC000072375052 556950617 /nfs/dbraw/zinc/95/06/17/556950617.db2.gz WGYOVFMUQTWFMX-SFHVURJKSA-N 1 0 438.553 4.106 40 0 IIABRO COc1ccccc1C[N@@H+]1CCC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000072395959 556968291 /nfs/dbraw/zinc/96/82/91/556968291.db2.gz AYUDPSPPJMMXEP-AREMUKBSSA-N 1 0 433.552 4.263 40 0 IIABRO O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12)c1ccccc1 ZINC000585110043 557042512 /nfs/dbraw/zinc/04/25/12/557042512.db2.gz ARCIQXTWSFRTPU-ZEQRLZLVSA-N 1 0 425.532 4.110 40 0 IIABRO O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12)c1cccc(F)c1 ZINC000585110097 557042515 /nfs/dbraw/zinc/04/25/15/557042515.db2.gz INELSHITHAPPNF-RPWUZVMVSA-N 1 0 443.522 4.249 40 0 IIABRO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000085881194 557104238 /nfs/dbraw/zinc/10/42/38/557104238.db2.gz WUJSHHWRLPGLCB-OYLFLEFRSA-N 1 0 427.545 4.192 40 0 IIABRO CCOc1ccc(C[NH+]2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)cc1 ZINC000585166480 557128081 /nfs/dbraw/zinc/12/80/81/557128081.db2.gz FFJFSEGEYPQMSR-UHFFFAOYSA-N 1 0 429.564 4.458 40 0 IIABRO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[NH+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000096081043 557168611 /nfs/dbraw/zinc/16/86/11/557168611.db2.gz GLPYKWJDLFIUBY-CLJLJLNGSA-N 1 0 446.616 4.212 40 0 IIABRO CC(C)CC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 ZINC000096145864 557175785 /nfs/dbraw/zinc/17/57/85/557175785.db2.gz ZEWCROUWWZFNRU-VXKWHMMOSA-N 1 0 428.598 4.149 40 0 IIABRO COc1cc(C)ccc1OCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[N@H+](C)[C@H]2Cc1ccccc1 ZINC000585261479 557195180 /nfs/dbraw/zinc/19/51/80/557195180.db2.gz DCODMOXFCAEXJX-AEFYUXCLSA-N 1 0 448.607 4.467 40 0 IIABRO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000585261965 557198023 /nfs/dbraw/zinc/19/80/23/557198023.db2.gz VCXVIJFLNXVGBW-AREMUKBSSA-N 1 0 433.527 4.080 40 0 IIABRO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000585263201 557203665 /nfs/dbraw/zinc/20/36/65/557203665.db2.gz KUXDIRZOKPTSJB-LUKWVAJMSA-N 1 0 444.547 4.122 40 0 IIABRO CC[NH+](CC)CCCNc1nc(-c2cccnc2)nc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000057743650 557258084 /nfs/dbraw/zinc/25/80/84/557258084.db2.gz PYVKWLAPNYUFLY-UHFFFAOYSA-N 1 0 448.590 4.380 40 0 IIABRO CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000100658089 557268477 /nfs/dbraw/zinc/26/84/77/557268477.db2.gz QEEUTTDEIRXVJW-HDICACEKSA-N 1 0 427.614 4.135 40 0 IIABRO COc1ccc([C@@H]2C[C@@H](OC(=O)CCc3ccc(O)cc3)C[C@@H]3CCCC[N@@H+]32)cc1O ZINC000013407230 557322620 /nfs/dbraw/zinc/32/26/20/557322620.db2.gz TYTIBYQBVJUCGJ-BVSLBCMMSA-N 1 0 425.525 4.340 40 0 IIABRO O=C(C[NH+]1CCC(n2nnc3cc(F)ccc32)CC1)NC(c1ccccc1)c1ccccc1 ZINC000013561721 557352037 /nfs/dbraw/zinc/35/20/37/557352037.db2.gz CAARYLFVXIGMCR-UHFFFAOYSA-N 1 0 443.526 4.113 40 0 IIABRO CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222602007 557359727 /nfs/dbraw/zinc/35/97/27/557359727.db2.gz AIERIGHJYTTYDN-KRWDZBQOSA-N 1 0 428.533 4.198 40 0 IIABRO O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014271793 557431000 /nfs/dbraw/zinc/43/10/00/557431000.db2.gz JOERLBOAYOWZKK-OUKQBFOZSA-N 1 0 446.576 4.128 40 0 IIABRO Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)ccc1Cl ZINC000223281557 557455278 /nfs/dbraw/zinc/45/52/78/557455278.db2.gz JHNXCOQVPLCIAO-FCHUYYIVSA-N 1 0 440.016 4.368 40 0 IIABRO Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223290535 557456214 /nfs/dbraw/zinc/45/62/14/557456214.db2.gz ZVRDISUKUTZRKA-ZEQRLZLVSA-N 1 0 433.625 4.332 40 0 IIABRO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1c1ccc2c(c1)OCO2 ZINC000224004252 557542738 /nfs/dbraw/zinc/54/27/38/557542738.db2.gz FXQRKMYAAHNTRC-PKTZIBPZSA-N 1 0 441.516 4.173 40 0 IIABRO Cc1cc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc(C)c1Br ZINC000224617728 557631565 /nfs/dbraw/zinc/63/15/65/557631565.db2.gz PHCVSNMWWJUFSS-UHFFFAOYSA-N 1 0 431.374 4.357 40 0 IIABRO Cc1cc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc(C)c1Br ZINC000224781819 557650998 /nfs/dbraw/zinc/65/09/98/557650998.db2.gz YBKRVDWRSUELRI-UHFFFAOYSA-N 1 0 431.374 4.357 40 0 IIABRO CC(C)NC(=O)c1cc(N)ccc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225487965 557728884 /nfs/dbraw/zinc/72/88/84/557728884.db2.gz KCWCJRURAKGTDT-UHFFFAOYSA-N 1 0 428.580 4.319 40 0 IIABRO CCOC(=O)c1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000225743818 557771727 /nfs/dbraw/zinc/77/17/27/557771727.db2.gz VGGBTZGWAOAMBC-UHFFFAOYSA-N 1 0 431.989 4.252 40 0 IIABRO C[N@H+](CCC(=O)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1)Cc1ccccn1 ZINC000257211421 568670385 /nfs/dbraw/zinc/67/03/85/568670385.db2.gz BYUJEJMYGSUNDZ-QFIPXVFZSA-N 1 0 435.959 4.378 40 0 IIABRO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([N@H+](Cc2ccccc2)Cc2cccc(F)c2)C1 ZINC000257219571 568674028 /nfs/dbraw/zinc/67/40/28/568674028.db2.gz DHGWBJFWTRYTMB-DQEYMECFSA-N 1 0 434.511 4.210 40 0 IIABRO CC1(C)C=C(CC(=O)N2CCC(c3cncc(Nc4ccccn4)n3)CC2)CC(C)(C)[NH2+]1 ZINC000257221392 568674861 /nfs/dbraw/zinc/67/48/61/568674861.db2.gz DOWMSBCXTRZPRL-UHFFFAOYSA-N 1 0 434.588 4.188 40 0 IIABRO COc1cc2c(cc1CN1CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C1)CCCC2 ZINC000257226278 568676897 /nfs/dbraw/zinc/67/68/97/568676897.db2.gz FJYVIPZKJHSUDS-XMMPIXPASA-N 1 0 431.540 4.076 40 0 IIABRO COc1cccc(CNC(=O)Cc2c(C)nc([C@@H]3CC[N@H+](C[C@H]4CC=CCC4)C3)nc2C)c1 ZINC000257233309 568680684 /nfs/dbraw/zinc/68/06/84/568680684.db2.gz GOROOYLGGDRCNH-JTHBVZDNSA-N 1 0 448.611 4.107 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 ZINC000257295823 568709313 /nfs/dbraw/zinc/70/93/13/568709313.db2.gz RABDHUWCEQBLKL-JOCHJYFZSA-N 1 0 429.564 4.162 40 0 IIABRO Cc1cc(C(F)F)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)n1 ZINC000257340031 568728461 /nfs/dbraw/zinc/72/84/61/568728461.db2.gz ZEFJHXRYWPKICP-HKXKVELOSA-N 1 0 442.554 4.214 40 0 IIABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccc(Cl)cc4)CC2)CN(C)C3)cc1 ZINC000306129069 568765452 /nfs/dbraw/zinc/76/54/52/568765452.db2.gz HTUQMELMMYPUHI-UHFFFAOYSA-N 1 0 437.975 4.044 40 0 IIABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]2c1cccnc1 ZINC000306130526 568766226 /nfs/dbraw/zinc/76/62/26/568766226.db2.gz JIXJFMVXUNTGMK-AOYPEHQESA-N 1 0 447.966 4.132 40 0 IIABRO Cc1cccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC000306138022 568770484 /nfs/dbraw/zinc/77/04/84/568770484.db2.gz RMZPFTMMHLZUFD-IGKIAQTJSA-N 1 0 443.595 4.186 40 0 IIABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2ccoc2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306139586 568771361 /nfs/dbraw/zinc/77/13/61/568771361.db2.gz TVLPUSWLCOKNNN-JYFHCDHNSA-N 1 0 432.568 4.465 40 0 IIABRO C[NH+](C)CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329005239 568809119 /nfs/dbraw/zinc/80/91/19/568809119.db2.gz KXELZKFVQUEGCY-UHFFFAOYSA-N 1 0 435.881 4.377 40 0 IIABRO C[C@@H]1C[C@H](OC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC(C)(C)C1 ZINC000023643377 568895479 /nfs/dbraw/zinc/89/54/79/568895479.db2.gz JPXOJNVGGPAPIF-QMMLZNLJSA-N 1 0 428.539 4.420 40 0 IIABRO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC(C)(C)C1 ZINC000023643372 568895483 /nfs/dbraw/zinc/89/54/83/568895483.db2.gz JPXOJNVGGPAPIF-JRGCBEDISA-N 1 0 428.539 4.420 40 0 IIABRO COCCn1ccc2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@@H]43)ccc21 ZINC000257198979 568921597 /nfs/dbraw/zinc/92/15/97/568921597.db2.gz NXJGYADPPJAYQP-CONSUNNSSA-N 1 0 433.596 4.323 40 0 IIABRO O=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198481 568921691 /nfs/dbraw/zinc/92/16/91/568921691.db2.gz AGZMFWWASXUXNB-IMBWNBOCSA-N 1 0 444.579 4.047 40 0 IIABRO COc1ccc2c(ccn2CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)c1 ZINC000257198758 568921740 /nfs/dbraw/zinc/92/17/40/568921740.db2.gz HYOQKVKXBAYWJG-FVJFVQOASA-N 1 0 433.596 4.462 40 0 IIABRO O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198807 568921754 /nfs/dbraw/zinc/92/17/54/568921754.db2.gz IXXDWTWTRRMKFM-QEUIGEMPSA-N 1 0 428.580 4.211 40 0 IIABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCc1ccccc1[C@H]2NC(=O)C(C)C ZINC000247998980 569206779 /nfs/dbraw/zinc/20/67/79/569206779.db2.gz NDQNERDUFDHKSZ-OARDWFSCSA-N 1 0 447.623 4.089 40 0 IIABRO C[C@@H](CC[N@@H+]1CCC[C@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000248247508 569207579 /nfs/dbraw/zinc/20/75/79/569207579.db2.gz QYXYSPJQLRYFRP-KDYSTLNUSA-N 1 0 428.580 4.447 40 0 IIABRO CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CC[N@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000019739236 569236646 /nfs/dbraw/zinc/23/66/46/569236646.db2.gz ZQDQQLRQIKMJSW-VWLOTQADSA-N 1 0 425.573 4.300 40 0 IIABRO Cc1cc(C)cc(C2(C(=O)N(C)Cc3cc(N(C)C)nc([C@@H]4CCC[NH2+]4)n3)CCCC2)c1 ZINC000019760357 569237500 /nfs/dbraw/zinc/23/75/00/569237500.db2.gz DEWPVNYMAPEURN-QFIPXVFZSA-N 1 0 435.616 4.054 40 0 IIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3ncc(C(=O)Nc4ccccc4)c(C)n3)C2)cc1 ZINC000019765155 569238787 /nfs/dbraw/zinc/23/87/87/569238787.db2.gz QYIFOOQLKQTABV-NRFANRHFSA-N 1 0 443.551 4.375 40 0 IIABRO Cc1nc(C2CC[NH+](Cc3ccc(F)cc3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766579 569239476 /nfs/dbraw/zinc/23/94/76/569239476.db2.gz RMVLAUKEOYQSPM-UHFFFAOYSA-N 1 0 436.506 4.373 40 0 IIABRO Cc1nnc2n1C[C@H](c1cccc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)c1)CC2 ZINC000019698225 569326858 /nfs/dbraw/zinc/32/68/58/569326858.db2.gz JGINMIULQKMTSM-XMMPIXPASA-N 1 0 443.595 4.053 40 0 IIABRO COc1ccccc1CNC(=O)c1cnc(C2CC[NH+](CCc3ccccc3)CC2)nc1C ZINC000019766565 569329070 /nfs/dbraw/zinc/32/90/70/569329070.db2.gz SCVQWJCTOZEEQJ-UHFFFAOYSA-N 1 0 444.579 4.146 40 0 IIABRO CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4C(=O)NC3CCCCC3)nn2)cc1 ZINC000008298882 291378833 /nfs/dbraw/zinc/37/88/33/291378833.db2.gz GVEIWURQOSHIFV-ZTCOLXNVSA-N 1 0 449.643 4.402 40 0 biogenic,in-vitro IIABRO CCN(CC)Cc1nc(C2(O)CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC000225463266 291381385 /nfs/dbraw/zinc/38/13/85/291381385.db2.gz WSTOFZNYBZWZMY-UHFFFAOYSA-N 1 0 427.536 4.487 40 0 biogenic,in-vitro IIABRO C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)NC2CCCCC2)C1 ZINC000004237226 291381759 /nfs/dbraw/zinc/38/17/59/291381759.db2.gz JKLBBBVROMQEOV-PZJWPPBQSA-N 1 0 448.611 4.038 40 0 biogenic,in-vitro IIABRO COc1ccc(C[NH+]2CCC(O)(c3csc(CN4CCc5ccccc5C4)n3)CC2)cc1 ZINC000225473350 291383369 /nfs/dbraw/zinc/38/33/69/291383369.db2.gz VFARGISFPVFTQS-UHFFFAOYSA-N 1 0 449.620 4.194 40 0 biogenic,in-vitro IIABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)C2 ZINC000035590764 520640909 /nfs/dbraw/zinc/64/09/09/520640909.db2.gz LKQOFRNBCVDUCM-TUUKDFBESA-N 1 0 440.550 4.420 40 0 IIABRO CCOc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCc1ccccc1Cl ZINC000022109206 520714696 /nfs/dbraw/zinc/71/46/96/520714696.db2.gz YDUWONZUNDRQCH-UHFFFAOYSA-N 1 0 447.992 4.113 40 0 IIABRO COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)ccc1OCc1ccccc1 ZINC000022107765 522453421 /nfs/dbraw/zinc/45/34/21/522453421.db2.gz VZZIPROKGBGYOW-UHFFFAOYSA-N 1 0 447.564 4.132 40 0 IIABRO C[NH+]1CCC(NC(=O)C2(Cc3ccccc3-c3ccc(F)c(F)c3)CCOCC2)CC1 ZINC000012231761 523770574 /nfs/dbraw/zinc/77/05/74/523770574.db2.gz VGCIBJFAEXHULE-UHFFFAOYSA-N 1 0 428.523 4.182 40 0 IIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000036734789 523809912 /nfs/dbraw/zinc/80/99/12/523809912.db2.gz UIALLSRHFRDELP-AVRDEDQJSA-N 1 0 436.581 4.238 40 0 IIABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)[nH+]1 ZINC000072352027 525305815 /nfs/dbraw/zinc/30/58/15/525305815.db2.gz FJEKGEXKXLOOOZ-IBGZPJMESA-N 1 0 438.547 4.381 40 0 IIABRO Cn1nnnc1SCCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022109373 527659655 /nfs/dbraw/zinc/65/96/55/527659655.db2.gz OYLQABISTXQOHF-UHFFFAOYSA-N 1 0 437.544 4.353 40 0 IIABRO CC[NH+](CC)C1CCC([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)CC1 ZINC000005807566 556066349 /nfs/dbraw/zinc/06/63/49/556066349.db2.gz OHPQBXGMPNAMEP-YPSQESJYSA-N 1 0 430.589 4.086 40 0 IIABRO CC[NH+]1CCN([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2Cl)CC1 ZINC000028296067 556451380 /nfs/dbraw/zinc/45/13/80/556451380.db2.gz ZVKZUHPVWMBKMJ-QFIPXVFZSA-N 1 0 438.959 4.104 40 0 IIABRO O=C(Nc1ccc(I)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038834837 556622841 /nfs/dbraw/zinc/62/28/41/556622841.db2.gz QTOSMBKLRGTBKQ-HNNXBMFYSA-N 1 0 438.284 4.281 40 0 IIABRO COc1cccc(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1OC ZINC000019082067 556697005 /nfs/dbraw/zinc/69/70/05/556697005.db2.gz WJHLYLIHZQTODK-QFIPXVFZSA-N 1 0 425.573 4.214 40 0 IIABRO CC(C)(C)c1n[nH]cc1C[NH+]1CCC([C@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019083491 556697867 /nfs/dbraw/zinc/69/78/67/556697867.db2.gz HZLFJNFOZHLZEC-VWLOTQADSA-N 1 0 445.611 4.414 40 0 IIABRO COc1cccc(C[NH+]2CCC(O)(Cn3cc(C)cc4cc(C(F)(F)F)nc3-4)CC2)c1 ZINC000019124867 556702792 /nfs/dbraw/zinc/70/27/92/556702792.db2.gz CJLKXBAIQRODFY-UHFFFAOYSA-N 1 0 433.474 4.351 40 0 IIABRO COc1ccc(C)cc1C[NH+]1CCC([C@@H](NC(=O)c2ccccn2)c2ccccn2)CC1 ZINC000019133320 556705062 /nfs/dbraw/zinc/70/50/62/556705062.db2.gz YJCSPSYDKCRYFQ-RUZDIDTESA-N 1 0 430.552 4.177 40 0 IIABRO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@H](O)COc3ccc(C)cc3C)cc2)n1 ZINC000257243249 556710730 /nfs/dbraw/zinc/71/07/30/556710730.db2.gz IGBCMLVOVQYHDB-DEOSSOPVSA-N 1 0 437.584 4.067 40 0 IIABRO Cc1ccc2nc(C)c(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[nH]3)CC[N@@H+](C(C)C)C4)cc2c1 ZINC000019221142 556715370 /nfs/dbraw/zinc/71/53/70/556715370.db2.gz GIRGQYVMWNXUES-QHCPKHFHSA-N 1 0 445.567 4.091 40 0 IIABRO Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)c1 ZINC000019234424 556718477 /nfs/dbraw/zinc/71/84/77/556718477.db2.gz SZLZEYSEEMKUDA-JOCHJYFZSA-N 1 0 448.592 4.066 40 0 IIABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccc(-c5ccccc5C)cc4)C[C@H]32)c(OC)n1 ZINC000019237436 556722149 /nfs/dbraw/zinc/72/21/49/556722149.db2.gz ZXFVLFLCZXCRIM-YEEURNOCSA-N 1 0 445.563 4.199 40 0 IIABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)n1 ZINC000019290178 556730027 /nfs/dbraw/zinc/73/00/27/556730027.db2.gz LUWJCFQVOLFEBC-SFHVURJKSA-N 1 0 438.526 4.135 40 0 IIABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000019290166 556730164 /nfs/dbraw/zinc/73/01/64/556730164.db2.gz FXSPLGUARXLNGI-GOSISDBHSA-N 1 0 438.526 4.135 40 0 IIABRO O=C(c1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019293557 556733164 /nfs/dbraw/zinc/73/31/64/556733164.db2.gz SAYQDOLDFAOJKE-QFIPXVFZSA-N 1 0 438.547 4.380 40 0 IIABRO NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000019348341 556743686 /nfs/dbraw/zinc/74/36/86/556743686.db2.gz XCKUKWZWCWOVRZ-XMMPIXPASA-N 1 0 438.934 4.246 40 0 IIABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@H]2c2ccccn2)N1 ZINC000019349456 556744485 /nfs/dbraw/zinc/74/44/85/556744485.db2.gz KBDSMBDAVYCWRS-WNCULLNHSA-N 1 0 442.563 4.084 40 0 IIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCO2 ZINC000019376355 556752105 /nfs/dbraw/zinc/75/21/05/556752105.db2.gz HMHJSCHUAWZGCF-BJKOFHAPSA-N 1 0 431.532 4.159 40 0 IIABRO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019447326 556756443 /nfs/dbraw/zinc/75/64/43/556756443.db2.gz KIPVMYZGOJSBEE-HHHXNRCGSA-N 1 0 428.580 4.351 40 0 IIABRO CC(C)Oc1cccc(C[N@@H+]2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 ZINC000019450812 556761616 /nfs/dbraw/zinc/76/16/16/556761616.db2.gz YFXKUWYUJWKSRR-MHZLTWQESA-N 1 0 429.564 4.456 40 0 IIABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)c4cccs4)[nH]c(=O)c3C2)CC1 ZINC000019496008 556768797 /nfs/dbraw/zinc/76/87/97/556768797.db2.gz VRJOPKXRWFBMKL-LADRWXRNSA-N 1 0 426.586 4.158 40 0 IIABRO Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1CCC[NH+](C)C ZINC000001224066 556769257 /nfs/dbraw/zinc/76/92/57/556769257.db2.gz KZDUJPVBLFNXJL-GOSISDBHSA-N 1 0 438.601 4.028 40 0 IIABRO CCCCc1ncc(C[N@H+](C)C2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cn1 ZINC000019502365 556773317 /nfs/dbraw/zinc/77/33/17/556773317.db2.gz WUMPSEWHTXYULA-UHFFFAOYSA-N 1 0 436.600 4.374 40 0 IIABRO CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CC[N@H+](Cc2cnc(CC)nc2)C1 ZINC000019523325 556780853 /nfs/dbraw/zinc/78/08/53/556780853.db2.gz NVFABMTYTDHDNR-VWLOTQADSA-N 1 0 434.609 4.338 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001353333 556781479 /nfs/dbraw/zinc/78/14/79/556781479.db2.gz OWEGFGSWWQMUBW-QFIPXVFZSA-N 1 0 436.531 4.494 40 0 IIABRO CCn1cc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)c2ccccc21 ZINC000019524765 556782166 /nfs/dbraw/zinc/78/21/66/556782166.db2.gz ZRUNMDXZNHPDSO-RPWUZVMVSA-N 1 0 436.552 4.054 40 0 IIABRO CC[NH+](CC)CC(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 ZINC000019526319 556784304 /nfs/dbraw/zinc/78/43/04/556784304.db2.gz OZDYAYYBWFFIMR-UHFFFAOYSA-N 1 0 444.583 4.330 40 0 IIABRO CCN1CC[N@H+](Cc2ccc(OC)cc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527708 556787030 /nfs/dbraw/zinc/78/70/30/556787030.db2.gz YHDKGBWEJRLGHW-XMMPIXPASA-N 1 0 429.564 4.280 40 0 IIABRO CCOc1ncc(C2(O)CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)CC2)c(OCC)n1 ZINC000019531731 556792336 /nfs/dbraw/zinc/79/23/36/556792336.db2.gz FIINBEQDFRHATL-UHFFFAOYSA-N 1 0 441.503 4.157 40 0 IIABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000019532679 556792831 /nfs/dbraw/zinc/79/28/31/556792831.db2.gz KVYPZZFLYAOKGP-VXKWHMMOSA-N 1 0 431.960 4.431 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1OC ZINC000019533800 556793557 /nfs/dbraw/zinc/79/35/57/556793557.db2.gz OFJQSVCJCGQEHM-NRFANRHFSA-N 1 0 447.583 4.392 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001378308 556795259 /nfs/dbraw/zinc/79/52/59/556795259.db2.gz FCLWJWQHEJIHNM-JOCHJYFZSA-N 1 0 436.531 4.494 40 0 IIABRO Cc1c(C[N@H+]2CCC[C@@](Cc3ccc(-c4ccccc4F)cc3)(C(=O)N(C)C)C2)cnn1C ZINC000019553614 556797313 /nfs/dbraw/zinc/79/73/13/556797313.db2.gz BCLDOEDWNZBNQU-MHZLTWQESA-N 1 0 448.586 4.448 40 0 IIABRO COc1ccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CC[N@H+](Cc4cccc(F)c4F)C[C@@H]23)cc1 ZINC000019557333 556799672 /nfs/dbraw/zinc/79/96/72/556799672.db2.gz GIWIWWCKCQPMFV-FUDKSRODSA-N 1 0 426.507 4.200 40 0 IIABRO COc1ccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]32)cc1 ZINC000019557770 556799737 /nfs/dbraw/zinc/79/97/37/556799737.db2.gz ZNEJXYKVPREJQT-TWJOJJKGSA-N 1 0 427.548 4.221 40 0 IIABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000019562192 556803579 /nfs/dbraw/zinc/80/35/79/556803579.db2.gz OEIARFRPPRTDFJ-VQTJNVASSA-N 1 0 438.351 4.386 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019591316 556826524 /nfs/dbraw/zinc/82/65/24/556826524.db2.gz QHVLJZOLQGTWFR-HHHXNRCGSA-N 1 0 429.564 4.328 40 0 IIABRO COc1ccccc1-c1ccccc1C[NH2+]CCc1nc(-c2ccccc2)ncc1C(N)=O ZINC000019697193 556854330 /nfs/dbraw/zinc/85/43/30/556854330.db2.gz CRENUXFYQSKPQN-UHFFFAOYSA-N 1 0 438.531 4.250 40 0 IIABRO CN(C)c1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)CC2CCCCC2)n1 ZINC000019701020 556860942 /nfs/dbraw/zinc/86/09/42/556860942.db2.gz XTJAEXFOJRUAPN-LJQANCHMSA-N 1 0 439.579 4.214 40 0 IIABRO C[C@H](C(=O)Nc1ccc(CC[C@H]2CC[N@H+](C)C[C@@H]2C)cc1)n1ncc2ccccc2c1=O ZINC000072335308 556908183 /nfs/dbraw/zinc/90/81/83/556908183.db2.gz WSYMNBBJHPQMAU-ZVDOUQERSA-N 1 0 432.568 4.117 40 0 IIABRO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 ZINC000072340878 556912899 /nfs/dbraw/zinc/91/28/99/556912899.db2.gz PYAOHIZCGSZWLI-QGZVFWFLSA-N 1 0 432.446 4.361 40 0 IIABRO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@H+](Cc4cccc(OC)c4)C3)c2)cn1 ZINC000072353599 556927357 /nfs/dbraw/zinc/92/73/57/556927357.db2.gz USDOZQYCZSXUPX-OAQYLSRUSA-N 1 0 430.552 4.200 40 0 IIABRO O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCCC1 ZINC000072358524 556931703 /nfs/dbraw/zinc/93/17/03/556931703.db2.gz LMZQBAFJJGIFJO-SFHVURJKSA-N 1 0 432.490 4.354 40 0 IIABRO CC1CCN(c2ncc(C[N@@H+]3CCC[C@H]3Cc3c4ccccc4sc3C(N)=O)cn2)CC1 ZINC000072370322 556934457 /nfs/dbraw/zinc/93/44/57/556934457.db2.gz OJPPYOYGAOXBRW-IBGZPJMESA-N 1 0 449.624 4.234 40 0 IIABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000409058610 556935703 /nfs/dbraw/zinc/93/57/03/556935703.db2.gz TZJPBHCYKHSKDS-ZCEBDVNOSA-O 1 0 439.322 4.010 40 0 IIABRO CN(C(=O)C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1)C1CCCCC1 ZINC000072371246 556937836 /nfs/dbraw/zinc/93/78/36/556937836.db2.gz DETGXKDLFNLRTH-GOSISDBHSA-N 1 0 445.007 4.265 40 0 IIABRO Cc1cc(C)nc(Nc2ccc(C3CC[NH+](CC(=O)N(C)C4CCCCC4)CC3)nc2)n1 ZINC000072374181 556947331 /nfs/dbraw/zinc/94/73/31/556947331.db2.gz YGWGAUWMGVXKCW-UHFFFAOYSA-N 1 0 436.604 4.203 40 0 IIABRO CN(CCO)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1ccncc1 ZINC000072380043 556957285 /nfs/dbraw/zinc/95/72/85/556957285.db2.gz YPTGQLNHZIVRTI-FQEVSTJZSA-N 1 0 437.609 4.348 40 0 IIABRO C[C@@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104157 557036893 /nfs/dbraw/zinc/03/68/93/557036893.db2.gz JODOVSBUUKNLRL-UQBPGWFLSA-N 1 0 448.592 4.017 40 0 IIABRO CC[NH+](CC)CCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1-c1ncccn1 ZINC000096037400 557164793 /nfs/dbraw/zinc/16/47/93/557164793.db2.gz XGYVTRYGQRNZKB-UHFFFAOYSA-N 1 0 432.572 4.418 40 0 IIABRO COc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCC[NH+](C)C)cc43)cs2)cc1 ZINC000096037882 557165448 /nfs/dbraw/zinc/16/54/48/557165448.db2.gz ZRHAJHRVYNZXQY-UHFFFAOYSA-N 1 0 436.537 4.308 40 0 IIABRO c1[nH]nc2cccc(C[C@H]3COCC[N@@H+](Cc4cccc(OCc5ccccn5)c4)C3)c12 ZINC000585261951 557198047 /nfs/dbraw/zinc/19/80/47/557198047.db2.gz KKWQRKTZRAJPJH-OAQYLSRUSA-N 1 0 428.536 4.228 40 0 IIABRO Cc1cc(C)n(CCOc2ccc(C[N@@H+]3C[C@H](O)[C@@H](Oc4cc(C)c(C)c(C)c4)C3)cc2)n1 ZINC000585268721 557208632 /nfs/dbraw/zinc/20/86/32/557208632.db2.gz QHFZHQCAZUZLSS-SVBPBHIXSA-N 1 0 449.595 4.128 40 0 IIABRO Cc1nccn1CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cc(C)cc(C(C)C)c3)C2)cc1 ZINC000585268844 557210384 /nfs/dbraw/zinc/21/03/84/557210384.db2.gz UXMKZBAOMQPRFC-SVBPBHIXSA-N 1 0 449.595 4.326 40 0 IIABRO CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000219424995 557244656 /nfs/dbraw/zinc/24/46/56/557244656.db2.gz ZSSPLOFKUJWXRO-UHFFFAOYSA-N 1 0 442.922 4.400 40 0 IIABRO O=C(NCc1nc(-c2ccccc2Cl)no1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000219426021 557244816 /nfs/dbraw/zinc/24/48/16/557244816.db2.gz LDSIYUPDAHUXKK-UHFFFAOYSA-N 1 0 428.895 4.058 40 0 IIABRO O=C(CCCc1nc(-c2ccco2)no1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000604405220 557248654 /nfs/dbraw/zinc/24/86/54/557248654.db2.gz NKJPQLRPJHOJNG-UECWXEIQSA-N 1 0 436.556 4.074 40 0 IIABRO Fc1ccccc1[C@H](c1nnnn1CCc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022929951 557274288 /nfs/dbraw/zinc/27/42/88/557274288.db2.gz YERMKNHPRHJIIY-RUZDIDTESA-N 1 0 448.590 4.095 40 0 IIABRO COc1cc(OC)c(OC)cc1CN(Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013992704 557400719 /nfs/dbraw/zinc/40/07/19/557400719.db2.gz FSKPMIFDMDUVJZ-UHFFFAOYSA-N 1 0 427.589 4.419 40 0 IIABRO O[C@@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000040373155 557414537 /nfs/dbraw/zinc/41/45/37/557414537.db2.gz PGKFQFVOGGTPJW-HHHXNRCGSA-N 1 0 430.592 4.014 40 0 IIABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1Cc1ccco1 ZINC000223217015 557447228 /nfs/dbraw/zinc/44/72/28/557447228.db2.gz FOLRCOLWRMHTJE-PKTZIBPZSA-N 1 0 437.613 4.065 40 0 IIABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1Cc1ccccc1 ZINC000223223019 557447674 /nfs/dbraw/zinc/44/76/74/557447674.db2.gz MPPVGGPIWWOAMV-RPBOFIJWSA-N 1 0 447.652 4.472 40 0 IIABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000223257715 557451847 /nfs/dbraw/zinc/45/18/47/557451847.db2.gz OJLAHLYDDXYKAO-SFTDATJTSA-N 1 0 448.621 4.016 40 0 IIABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000223259369 557452083 /nfs/dbraw/zinc/45/20/83/557452083.db2.gz SHVGCQNJGJABON-NHCUHLMSSA-N 1 0 443.979 4.199 40 0 IIABRO Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223290368 557456276 /nfs/dbraw/zinc/45/62/76/557456276.db2.gz ZVRDISUKUTZRKA-DNQXCXABSA-N 1 0 433.625 4.332 40 0 IIABRO COc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000016194493 557470626 /nfs/dbraw/zinc/47/06/26/557470626.db2.gz QWDHKNPFQGYHQN-UHFFFAOYSA-N 1 0 429.108 4.239 40 0 IIABRO CCCNC(=O)c1cc(N)ccc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225487920 557728840 /nfs/dbraw/zinc/72/88/40/557728840.db2.gz XWFFKCQDXPCQCL-UHFFFAOYSA-N 1 0 428.580 4.320 40 0 IIABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1 ZINC000225584084 557747143 /nfs/dbraw/zinc/74/71/43/557747143.db2.gz PKPNOHMIGQBLDT-UHFFFAOYSA-N 1 0 426.557 4.103 40 0 IIABRO COC(=O)c1cc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1Cl ZINC000225773035 557775603 /nfs/dbraw/zinc/77/56/03/557775603.db2.gz QEHQBDFBVPQEIQ-UHFFFAOYSA-N 1 0 447.988 4.086 40 0 IIABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 ZINC000059294274 557819836 /nfs/dbraw/zinc/81/98/36/557819836.db2.gz JDSZUSKIKRFAFD-JLHYYAGUSA-N 1 0 445.519 4.137 40 0 IIABRO Cc1nc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)C2CC2)n1 ZINC000008623198 565097661 /nfs/dbraw/zinc/09/76/61/565097661.db2.gz BRFVANMKRUNJKP-SXLOBPIMSA-N 1 0 444.501 4.175 40 0 biogenic,in-vitro IIABRO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257203196 568666879 /nfs/dbraw/zinc/66/68/79/568666879.db2.gz APAGKFXCXMZIDC-UHFFFAOYSA-N 1 0 444.583 4.232 40 0 IIABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)CCn3ccccc3=O)C2)[nH+]1 ZINC000257215347 568672298 /nfs/dbraw/zinc/67/22/98/568672298.db2.gz CPRUALMFIMSRDH-LJQANCHMSA-N 1 0 434.515 4.231 40 0 IIABRO Cc1ccccc1C[N@@H+]1CC[C@H](c2cc3nc(C)c(CCC(=O)NC(C)(C)C)c(C)n3n2)C1 ZINC000257247942 568687591 /nfs/dbraw/zinc/68/75/91/568687591.db2.gz JBFTZRCIZKAZLA-QFIPXVFZSA-N 1 0 447.627 4.491 40 0 IIABRO COCCN1C(=O)C[C@H](c2ccc(Cl)cc2)[C@@H]2[C@H]1CCC[C@@H]2[NH2+]Cc1ccccn1 ZINC000257269294 568697225 /nfs/dbraw/zinc/69/72/25/568697225.db2.gz MPJKHEBIQQIRGC-GBAAUQCPSA-N 1 0 427.976 4.024 40 0 IIABRO CCn1c(CN2CCO[C@H](c3cc(Nc4ccccn4)cc(C)n3)C2)nc2ccccc21 ZINC000257271252 568698219 /nfs/dbraw/zinc/69/82/19/568698219.db2.gz MXOBRJIQNAYAKY-QHCPKHFHSA-N 1 0 428.540 4.472 40 0 IIABRO COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCC[NH+]3CCCC3)CCOCC2)c1 ZINC000257292446 568707930 /nfs/dbraw/zinc/70/79/30/568707930.db2.gz QLNAFNUKUTTWIW-UHFFFAOYSA-N 1 0 440.559 4.053 40 0 IIABRO Cc1cc(Nc2ncccn2)cc(C2CCN(CC(=O)N3CCCc4ccccc43)CC2)[nH+]1 ZINC000257316626 568718172 /nfs/dbraw/zinc/71/81/72/568718172.db2.gz VGJJEBOMMXQKPU-UHFFFAOYSA-N 1 0 442.567 4.082 40 0 IIABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(CC(=O)NCc3ccccn3)C2)[nH+]1 ZINC000257326841 568723153 /nfs/dbraw/zinc/72/31/53/568723153.db2.gz WYUZNGGWVNEUOB-LJQANCHMSA-N 1 0 433.531 4.164 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000257329809 568724012 /nfs/dbraw/zinc/72/40/12/568724012.db2.gz XLPVYXJHZACUET-ATIYNZHBSA-N 1 0 440.559 4.194 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)c(CC(=O)N4CCCCC4)c(C)n3)C2)c1 ZINC000257330690 568724632 /nfs/dbraw/zinc/72/46/32/568724632.db2.gz XPMURHJKHFMIBP-JOCHJYFZSA-N 1 0 436.600 4.037 40 0 IIABRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257340900 568728832 /nfs/dbraw/zinc/72/88/32/568728832.db2.gz ZHZZTKVSGFUSKG-IBGZPJMESA-N 1 0 434.588 4.150 40 0 IIABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306129076 568765432 /nfs/dbraw/zinc/76/54/32/568765432.db2.gz HTWUOOZYSMRVNT-URXFXBBRSA-N 1 0 426.992 4.346 40 0 IIABRO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)C(C)(C)C)[N@H+]2C=Cc4ccccc4[C@@H]32)cc1C ZINC000103533730 568897223 /nfs/dbraw/zinc/89/72/23/568897223.db2.gz FYLCRYPUYAAHSU-LUKWVAJMSA-N 1 0 428.532 4.434 40 0 IIABRO FC(F)(F)c1cc(CNc2ncnc3c2cnn3C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000228937032 569182302 /nfs/dbraw/zinc/18/23/02/569182302.db2.gz VETOISYYAJELNL-UHFFFAOYSA-N 1 0 444.383 4.401 40 0 IIABRO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1C ZINC000229839310 569184936 /nfs/dbraw/zinc/18/49/36/569184936.db2.gz VYAFFYLZRKSQRP-WAIKUNEKSA-N 1 0 434.588 4.458 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCCN(Cc3ccc(F)cc3)C2)[N@H+](C)C1 ZINC000248139046 569207293 /nfs/dbraw/zinc/20/72/93/569207293.db2.gz PRHIXVSQKXXKFU-MZKRTTBSSA-N 1 0 425.548 4.005 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)cc1OC ZINC000019560941 569226972 /nfs/dbraw/zinc/22/69/72/569226972.db2.gz OOTFJOFRMSALTD-SQJMNOBHSA-N 1 0 437.584 4.359 40 0 IIABRO COc1ccc(-c2nc(C3CC[NH+](Cc4cccc5ncccc45)CC3)[nH]c2C(N)=O)cc1 ZINC000019696983 569229903 /nfs/dbraw/zinc/22/99/03/569229903.db2.gz VODXSUGITBSOOX-UHFFFAOYSA-N 1 0 441.535 4.112 40 0 IIABRO CC(C)n1c(C[NH+]2CCC(c3nc(-c4ccccc4)c(C(N)=O)[nH]3)CC2)nc2ccccc21 ZINC000019698817 569230153 /nfs/dbraw/zinc/23/01/53/569230153.db2.gz PHZYNXAOICZZEF-UHFFFAOYSA-N 1 0 442.567 4.486 40 0 IIABRO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C1)CO2 ZINC000019704671 569233617 /nfs/dbraw/zinc/23/36/17/569233617.db2.gz NGBVPGSXJRRJDN-GOSISDBHSA-N 1 0 435.499 4.402 40 0 IIABRO CCN(C(=O)c1cccc(Cn2cccn2)c1)[C@H]1CCO[C@@H](c2ccc(C[NH+](C)C)cc2)C1 ZINC000019711801 569235093 /nfs/dbraw/zinc/23/50/93/569235093.db2.gz GFNKLXIEDXRNEJ-IZZNHLLZSA-N 1 0 446.595 4.375 40 0 IIABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019765348 569238845 /nfs/dbraw/zinc/23/88/45/569238845.db2.gz OBXSALRUSGZSJK-NRFANRHFSA-N 1 0 448.542 4.242 40 0 IIABRO CN(C)C(=O)C(CC[NH+]1CCC(O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000008780933 569290505 /nfs/dbraw/zinc/29/05/05/569290505.db2.gz YNPNRXMADRSSLH-UHFFFAOYSA-N 1 0 442.603 4.435 40 0 IIABRO COc1cccc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)c1 ZINC000019687685 569326287 /nfs/dbraw/zinc/32/62/87/569326287.db2.gz FLZVXWWNSUIFGY-QHCPKHFHSA-N 1 0 445.567 4.044 40 0 IIABRO CNC(=O)C1(Cc2ccccc2-c2ccncc2)CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000019700199 569327197 /nfs/dbraw/zinc/32/71/97/569327197.db2.gz KFVFLZPQKSIJQU-UHFFFAOYSA-N 1 0 429.564 4.328 40 0 IIABRO COc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc4ncccc4c3)CC[C@]23CCC(=O)N3)cc1OC ZINC000019741568 569328292 /nfs/dbraw/zinc/32/82/92/569328292.db2.gz NXADXJUHDBTVRG-XXAUWVGASA-N 1 0 445.563 4.327 40 0 IIABRO Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000329048250 569583164 /nfs/dbraw/zinc/58/31/64/569583164.db2.gz UIOYAQJJHGEEHP-UHFFFAOYSA-N 1 0 426.362 4.932 40 0 IIABRO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCN(C)CC4)C=C3C)[nH]c2n1 ZINC000072320900 291384011 /nfs/dbraw/zinc/38/40/11/291384011.db2.gz BDASBFXOOQKJLD-ZJOUEHCJSA-N 1 0 425.621 4.047 40 0 biogenic,in-vitro IIABRO CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1 ZINC000223238199 193956291 /nfs/dbraw/zinc/95/62/91/193956291.db2.gz PTMFFBSAEZUESR-DNQXCXABSA-N 1 0 449.624 4.195 40 0 IIABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC000035075024 520642845 /nfs/dbraw/zinc/64/28/45/520642845.db2.gz SLGAZMNXJUEMDL-SJHORNLWSA-N 1 0 435.052 4.440 40 0 IIABRO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C)cc2)cc(OC)c1OC ZINC000035290817 522103839 /nfs/dbraw/zinc/10/38/39/522103839.db2.gz XSRKVQSUSHLOQO-FRIKZZABSA-N 1 0 438.568 4.336 40 0 IIABRO C[NH+](C)CC(C)(C)CNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000012186083 524046663 /nfs/dbraw/zinc/04/66/63/524046663.db2.gz XNJHWLUHFITRKZ-UHFFFAOYSA-N 1 0 448.590 4.236 40 0 IIABRO O=c1c(-c2ccc3ccccc3c2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(CO)o2)C1 ZINC000020503175 527449109 /nfs/dbraw/zinc/44/91/09/527449109.db2.gz VOFLONGKSYHCTG-PGRDOPGGSA-N 1 0 426.516 4.373 40 0 biogenic,in-vitro IIABRO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1c2cc(C)cc1C ZINC000009042191 556242341 /nfs/dbraw/zinc/24/23/41/556242341.db2.gz VPBLXOLTDCARML-OSWMTFESSA-N 1 0 439.943 4.236 40 0 IIABRO O=C1c2ccccc2C(=O)N1CCCCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000028048374 556443014 /nfs/dbraw/zinc/44/30/14/556443014.db2.gz FRHUNCAUJIUCKY-UHFFFAOYSA-N 1 0 425.960 4.319 40 0 IIABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000015140141 556506255 /nfs/dbraw/zinc/50/62/55/556506255.db2.gz HEQDKIMHPNYONM-UHFFFAOYSA-N 1 0 449.576 4.013 40 0 IIABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4cc3OC)cc2)CC1 ZINC000032125421 556534876 /nfs/dbraw/zinc/53/48/76/556534876.db2.gz DTSHNJYDEPLOAD-UHFFFAOYSA-N 1 0 448.592 4.117 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1OC ZINC000015890202 556561614 /nfs/dbraw/zinc/56/16/14/556561614.db2.gz YETHDVTXEXWSPK-DEOSSOPVSA-N 1 0 436.596 4.397 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)C[C@@H]2O ZINC000019084455 556698438 /nfs/dbraw/zinc/69/84/38/556698438.db2.gz IKJLLNCWLKORQM-GOTSBHOMSA-N 1 0 425.569 4.377 40 0 IIABRO Cc1ccc([C@@H](C)C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCCC3)C4)C2)cc1 ZINC000019135710 556706123 /nfs/dbraw/zinc/70/61/23/556706123.db2.gz CIMBPVAKFYYFRJ-TZIWHRDSSA-N 1 0 448.611 4.301 40 0 IIABRO Cc1ccc(CO)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019214625 556711336 /nfs/dbraw/zinc/71/13/36/556711336.db2.gz CFALHJLATMEDRM-DNQXCXABSA-N 1 0 446.522 4.196 40 0 IIABRO COc1ccc2[nH]c(C)c([C@H](O)C[NH+]3CCC4(CC3)C[C@@H](O)c3cc(C)ccc3O4)c2c1 ZINC000019219204 556713821 /nfs/dbraw/zinc/71/38/21/556713821.db2.gz WJEYBZOIXSLARQ-DHIUTWEWSA-N 1 0 436.552 4.177 40 0 IIABRO Cc1nccn1Cc1ccccc1C(=O)N1CCOC[C@@H](Cc2cncc3ccccc32)C1 ZINC000257294688 556716751 /nfs/dbraw/zinc/71/67/51/556716751.db2.gz QVHHRCUZNLQBAR-NRFANRHFSA-N 1 0 440.547 4.119 40 0 IIABRO CN1C(=O)CCC[C@]12C[N@H+](Cc1cccc(Oc3ncccn3)c1)C[C@H]2c1ccc(F)cc1 ZINC000257308131 556718192 /nfs/dbraw/zinc/71/81/92/556718192.db2.gz TVNHMLKJSNVTPB-JYFHCDHNSA-N 1 0 446.526 4.389 40 0 IIABRO Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000000880635 556732503 /nfs/dbraw/zinc/73/25/03/556732503.db2.gz KHDFBIZCIOWBGH-UHFFFAOYSA-N 1 0 426.561 4.045 40 0 IIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019346073 556742666 /nfs/dbraw/zinc/74/26/66/556742666.db2.gz JZQHDJOZFKUMQA-SFTDATJTSA-N 1 0 430.907 4.345 40 0 IIABRO O=C(c1ccccn1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3ccccc3F)CC[C@H]21 ZINC000019349203 556744171 /nfs/dbraw/zinc/74/41/71/556744171.db2.gz XUONSORQRSVRCB-TZBSWOFLSA-N 1 0 433.502 4.490 40 0 IIABRO O=C(C[NH+]1CCC(n2cnc3cccnc32)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000019372712 556749015 /nfs/dbraw/zinc/74/90/15/556749015.db2.gz YXNUUKOIEASMFC-UHFFFAOYSA-N 1 0 441.535 4.286 40 0 IIABRO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002292071 556760475 /nfs/dbraw/zinc/76/04/75/556760475.db2.gz WUJSHHWRLPGLCB-OWJWWREXSA-N 1 0 427.545 4.192 40 0 IIABRO COc1cc(OC)c(OC)cc1CN(Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019461027 556767560 /nfs/dbraw/zinc/76/75/60/556767560.db2.gz IDRIIGCQIICRSA-UHFFFAOYSA-N 1 0 427.589 4.419 40 0 IIABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CCCCC4)[nH]c(=O)c3C2)CC1 ZINC000019495982 556768641 /nfs/dbraw/zinc/76/86/41/556768641.db2.gz PKXMERRELUUPNN-FQVRHNBASA-N 1 0 426.605 4.363 40 0 IIABRO CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019503561 556775249 /nfs/dbraw/zinc/77/52/49/556775249.db2.gz KDIIEAGAOVDXHO-HHHXNRCGSA-N 1 0 428.580 4.495 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001353344 556781488 /nfs/dbraw/zinc/78/14/88/556781488.db2.gz JPRPWQFPEPZAAV-HXUWFJFHSA-N 1 0 436.531 4.494 40 0 IIABRO CCn1cc(C[N@@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2cc(OC)ccc21 ZINC000019524750 556782103 /nfs/dbraw/zinc/78/21/03/556782103.db2.gz FQRDEWLBQVCVCM-BKMJKUGQSA-N 1 0 432.568 4.093 40 0 IIABRO CCOCc1cc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)ccc1OC ZINC000019531125 556791612 /nfs/dbraw/zinc/79/16/12/556791612.db2.gz KFIKAVBIJHPOCM-UHFFFAOYSA-N 1 0 434.540 4.169 40 0 IIABRO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000001380589 556796593 /nfs/dbraw/zinc/79/65/93/556796593.db2.gz QLMIYMCWEYHDLD-UHFFFAOYSA-N 1 0 431.462 4.343 40 0 IIABRO COc1ccccc1C[N@@H+]1CC[C@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 ZINC000019580416 556818491 /nfs/dbraw/zinc/81/84/91/556818491.db2.gz COLNSMMZAROBEO-HHHXNRCGSA-N 1 0 429.564 4.280 40 0 IIABRO CC[NH+](CC)CCCNC(=S)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000004131593 556818960 /nfs/dbraw/zinc/81/89/60/556818960.db2.gz WAVJDUACFQPOGC-UHFFFAOYSA-N 1 0 428.646 4.188 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(N)n4nc(-c5ccoc5C)cc4n3)C2)c1OC ZINC000019583110 556820718 /nfs/dbraw/zinc/82/07/18/556820718.db2.gz OXXZVBIBDGOKOC-KRWDZBQOSA-N 1 0 447.539 4.277 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c1OC ZINC000019584588 556821988 /nfs/dbraw/zinc/82/19/88/556821988.db2.gz RMFNCAIFODIQJH-LJQANCHMSA-N 1 0 433.556 4.001 40 0 IIABRO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(OC)c1 ZINC000019585276 556822409 /nfs/dbraw/zinc/82/24/09/556822409.db2.gz NNRVHBNJNJJERR-QFIPXVFZSA-N 1 0 433.556 4.349 40 0 IIABRO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@@H+]2Cc2cn(CCCO)c3ccccc23)n1 ZINC000019690817 556846490 /nfs/dbraw/zinc/84/64/90/556846490.db2.gz CJSKBRZYVNJBOU-RUZDIDTESA-N 1 0 442.567 4.103 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695808 556852674 /nfs/dbraw/zinc/85/26/74/556852674.db2.gz PUCQMIGJMHXIIB-HXUWFJFHSA-N 1 0 445.542 4.178 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000019695783 556852685 /nfs/dbraw/zinc/85/26/85/556852685.db2.gz SIHIBZUUIXUQOD-QHCPKHFHSA-N 1 0 441.579 4.082 40 0 IIABRO CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2ccccn2)CC1 ZINC000019700183 556859936 /nfs/dbraw/zinc/85/99/36/556859936.db2.gz KXRRUDLECYESRK-UHFFFAOYSA-N 1 0 428.580 4.493 40 0 IIABRO Cc1ncc(C[NH+]2CCC(Cc3nn(C)cc3C(=O)Nc3ccc(F)cc3)CC2)s1 ZINC000019756288 556899977 /nfs/dbraw/zinc/89/99/77/556899977.db2.gz FEEQZJOOYHPXJK-UHFFFAOYSA-N 1 0 427.549 4.031 40 0 IIABRO Cc1cc2nc(C3CC[NH+](Cc4cc5c(cc4C)OCO5)CC3)cc(C(F)(F)F)n2n1 ZINC000072340800 556912508 /nfs/dbraw/zinc/91/25/08/556912508.db2.gz CXFMGONDJUKOHY-UHFFFAOYSA-N 1 0 432.446 4.473 40 0 IIABRO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cn(C)c3cc(OC)ccc23)C1 ZINC000072352525 556924479 /nfs/dbraw/zinc/92/44/79/556924479.db2.gz SSCGGAIJZPMTJX-HNNXBMFYSA-N 1 0 434.565 4.146 40 0 IIABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)CC1 ZINC000072359791 556932897 /nfs/dbraw/zinc/93/28/97/556932897.db2.gz QSNNWAFYJGWFGS-SFHVURJKSA-N 1 0 432.490 4.353 40 0 IIABRO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cn(C(C)=O)c3ccccc23)C1 ZINC000072361015 556933224 /nfs/dbraw/zinc/93/32/24/556933224.db2.gz WKBSYPSINQRZSJ-MRXNPFEDSA-N 1 0 432.549 4.260 40 0 IIABRO CC1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3Cc3c4ccccc4sc3C(N)=O)cn2)CC1 ZINC000072370321 556934403 /nfs/dbraw/zinc/93/44/03/556934403.db2.gz OJPPYOYGAOXBRW-LJQANCHMSA-N 1 0 449.624 4.234 40 0 IIABRO CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)C[NH+]1CCCCC1 ZINC000072370729 556936345 /nfs/dbraw/zinc/93/63/45/556936345.db2.gz LOOSEHXVGBILEC-IBGZPJMESA-N 1 0 441.641 4.403 40 0 IIABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409062689 556940091 /nfs/dbraw/zinc/94/00/91/556940091.db2.gz YYJDLZMSWSMPLA-MAEDJNRBSA-O 1 0 439.322 4.010 40 0 IIABRO Cc1cc(Nc2ccccn2)cc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)[nH+]1 ZINC000072374888 556949383 /nfs/dbraw/zinc/94/93/83/556949383.db2.gz IRPNYUGINHXLLT-KRWDZBQOSA-N 1 0 426.517 4.236 40 0 IIABRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000072375029 556950057 /nfs/dbraw/zinc/95/00/57/556950057.db2.gz FANIWSDOOZTNAE-GOSISDBHSA-N 1 0 441.557 4.010 40 0 IIABRO O=C(c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCOCC1 ZINC000072380062 556957347 /nfs/dbraw/zinc/95/73/47/556957347.db2.gz WVGOGHSDAYNYPN-HXUWFJFHSA-N 1 0 435.593 4.366 40 0 IIABRO CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2cncn2CC)C1 ZINC000072394074 556965553 /nfs/dbraw/zinc/96/55/53/556965553.db2.gz HKJIIOXFIROZNZ-VWLOTQADSA-N 1 0 436.556 4.254 40 0 IIABRO COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)c1ccc(F)c(Cl)c1F)CC2 ZINC000585103776 557036435 /nfs/dbraw/zinc/03/64/35/557036435.db2.gz PTVPPYGBCJAFFH-KRWDZBQOSA-N 1 0 449.929 4.157 40 0 IIABRO O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409415133 557110014 /nfs/dbraw/zinc/11/00/14/557110014.db2.gz UMQHKUNKYFBVNO-PFDCSPEHSA-N 1 0 446.595 4.080 40 0 IIABRO CNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2ccccc2OC)CC1 ZINC000585166174 557128786 /nfs/dbraw/zinc/12/87/86/557128786.db2.gz CQJBYIDLGDSYTQ-UHFFFAOYSA-N 1 0 429.564 4.328 40 0 IIABRO CCCN1CC[N@H+](Cc2cccc(O)c2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000585183596 557139233 /nfs/dbraw/zinc/13/92/33/557139233.db2.gz IJASDSFQRUEPHW-XMMPIXPASA-N 1 0 429.564 4.367 40 0 IIABRO O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000263586440 557147060 /nfs/dbraw/zinc/14/70/60/557147060.db2.gz UMQHKUNKYFBVNO-XBLPNDSKSA-N 1 0 446.595 4.080 40 0 IIABRO CCc1ccccc1NC(=O)N1CCC2(C[N@@H+](CC(C)C)C[C@]23CCN(CC)C3=O)CC1 ZINC000096262783 557190458 /nfs/dbraw/zinc/19/04/58/557190458.db2.gz BDPWTGAIYBISLR-SANMLTNESA-N 1 0 440.632 4.073 40 0 IIABRO O=C1CCC[C@]2(C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@H]2c2ccc(F)cc2)N1 ZINC000585261677 557195395 /nfs/dbraw/zinc/19/53/95/557195395.db2.gz CICCXUGRKCBGPY-RPLLCQBOSA-N 1 0 445.538 4.438 40 0 IIABRO Cn1nccc1C[NH2+][C@H]1CCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC(=O)N2Cc1ccccc1 ZINC000585261824 557197027 /nfs/dbraw/zinc/19/70/27/557197027.db2.gz RTWFOKPNIFFABN-RAKSCHNQSA-N 1 0 428.580 4.263 40 0 IIABRO c1[nH]nc2cccc(C[C@H]3COCC[N@@H+](Cc4ccccc4OCc4cccnc4)C3)c12 ZINC000585261964 557198101 /nfs/dbraw/zinc/19/81/01/557198101.db2.gz QSQMYDMVQZXZCX-OAQYLSRUSA-N 1 0 428.536 4.228 40 0 IIABRO COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NC[C@H]3CCC[N@H+](C)C3)CCCO2)cc1 ZINC000585262574 557202534 /nfs/dbraw/zinc/20/25/34/557202534.db2.gz UNLVBCPRLYGXCA-FQRUVTKNSA-N 1 0 440.559 4.051 40 0 IIABRO c1nc(Nc2cccc(C3CC[NH+](CCN4CCOCC4)CC3)n2)sc1-c1ccccc1 ZINC000585263286 557203975 /nfs/dbraw/zinc/20/39/75/557203975.db2.gz UYJGCZMHJWLKGG-UHFFFAOYSA-N 1 0 449.624 4.460 40 0 IIABRO O=C(Nc1ccc(I)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063571 557214770 /nfs/dbraw/zinc/21/47/70/557214770.db2.gz RRWHXDCEMZHIFB-UHFFFAOYSA-N 1 0 438.284 4.281 40 0 IIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)/C=C/c4cccnc4)C3)c2)n1 ZINC000585293542 557231937 /nfs/dbraw/zinc/23/19/37/557231937.db2.gz ZCHQTZIGGGKHFT-SHBDEGQCSA-N 1 0 428.540 4.355 40 0 IIABRO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c(OC)c1 ZINC000022649822 557260672 /nfs/dbraw/zinc/26/06/72/557260672.db2.gz PLNHKVGXNMNKMD-UHFFFAOYSA-N 1 0 431.536 4.278 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000057774044 557263594 /nfs/dbraw/zinc/26/35/94/557263594.db2.gz RRNLSRWDBCCRJH-KBMIEXCESA-N 1 0 425.573 4.214 40 0 IIABRO Fc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022929892 557274206 /nfs/dbraw/zinc/27/42/06/557274206.db2.gz KCUJPNVTTYCCAU-RUZDIDTESA-N 1 0 448.590 4.095 40 0 IIABRO CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1 ZINC000223238315 557449772 /nfs/dbraw/zinc/44/97/72/557449772.db2.gz PTMFFBSAEZUESR-BJKOFHAPSA-N 1 0 449.624 4.195 40 0 IIABRO COc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000017097595 557479548 /nfs/dbraw/zinc/47/95/48/557479548.db2.gz UKOYUSKSOLJZPK-UHFFFAOYSA-N 1 0 431.536 4.035 40 0 IIABRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000225488290 557728916 /nfs/dbraw/zinc/72/89/16/557728916.db2.gz DWIZRSWRFDFBKL-MOHJPFBDSA-N 1 0 445.588 4.084 40 0 IIABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3ccc(Br)cc3)cc2)CC1 ZINC000225772076 557775608 /nfs/dbraw/zinc/77/56/08/557775608.db2.gz CDIZJHHIFPLMPB-UHFFFAOYSA-N 1 0 434.403 4.409 40 0 IIABRO Cn1nc(-c2ccccc2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1 ZINC000008635783 565100689 /nfs/dbraw/zinc/10/06/89/565100689.db2.gz CDCFOTPQJYMECP-NNWRFLSQSA-N 1 0 431.609 4.252 40 0 biogenic,in-vitro IIABRO Cc1nc2cc([C@@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257201498 568665820 /nfs/dbraw/zinc/66/58/20/568665820.db2.gz AHXQQVAKUYXRLP-QPPBQGQZSA-N 1 0 435.616 4.394 40 0 IIABRO CC(C)Oc1ccc([C@H]2CN(C(=O)c3cccc(Oc4ncccn4)c3)CCN2C)cc1 ZINC000257263893 568694789 /nfs/dbraw/zinc/69/47/89/568694789.db2.gz LRWZNGCDACTGHG-HSZRJFAPSA-N 1 0 432.524 4.185 40 0 IIABRO CC1(C)C=C(CC(=O)N2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)CC(C)(C)[NH2+]1 ZINC000257264694 568695323 /nfs/dbraw/zinc/69/53/23/568695323.db2.gz LVRDUCPNEMTCNZ-LJQANCHMSA-N 1 0 434.588 4.188 40 0 IIABRO CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)CC1 ZINC000257298041 568710235 /nfs/dbraw/zinc/71/02/35/568710235.db2.gz RJWGJXSBZIDIIO-HXUWFJFHSA-N 1 0 438.547 4.237 40 0 IIABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)[nH+]1 ZINC000257305565 568713823 /nfs/dbraw/zinc/71/38/23/568713823.db2.gz SQOIFSLOSIIMRZ-IBGZPJMESA-N 1 0 434.515 4.231 40 0 IIABRO COc1ccc(-c2nccc([C@H]3CCCN3C(=O)c3ccccc3Cn3ccnc3)n2)cc1 ZINC000257324907 568722328 /nfs/dbraw/zinc/72/23/28/568722328.db2.gz WQRYJMXGGQOERL-XMMPIXPASA-N 1 0 439.519 4.374 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccncc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257331478 568725198 /nfs/dbraw/zinc/72/51/98/568725198.db2.gz XTAUYLUZOXTTQB-FQEVSTJZSA-N 1 0 433.531 4.188 40 0 IIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccccn5)C4)nn3c2)c1OC ZINC000306125335 568763689 /nfs/dbraw/zinc/76/36/89/568763689.db2.gz CMXKGBKBQNSQLY-IBGZPJMESA-N 1 0 429.524 4.188 40 0 IIABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cccc(Cl)c4)CC2)CN(C)C3)cc1 ZINC000306125135 568763777 /nfs/dbraw/zinc/76/37/77/568763777.db2.gz CHYRCEUYLMUELH-UHFFFAOYSA-N 1 0 437.975 4.044 40 0 IIABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2ccncc2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306139400 568771248 /nfs/dbraw/zinc/77/12/48/568771248.db2.gz SWLRKVGEKRYNOT-RPLLCQBOSA-N 1 0 443.595 4.267 40 0 IIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccc(OC)c5OC)cn4n3)C2)cn1 ZINC000306144061 568773688 /nfs/dbraw/zinc/77/36/88/568773688.db2.gz YUYJZIDOOYWGQG-HXUWFJFHSA-N 1 0 446.555 4.010 40 0 IIABRO CC(C)c1nc(N2CCc3ccc(Br)cc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329051429 568810457 /nfs/dbraw/zinc/81/04/57/568810457.db2.gz UXACRHCFOHDMBS-SFHVURJKSA-N 1 0 433.394 4.354 40 0 IIABRO COCCn1ccc2c1cccc2C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199206 568921940 /nfs/dbraw/zinc/92/19/40/568921940.db2.gz WPYRGFYFQPALLS-IMBWNBOCSA-N 1 0 433.596 4.323 40 0 IIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)CC2)c1 ZINC000009063076 569219773 /nfs/dbraw/zinc/21/97/73/569219773.db2.gz VAKIEXWPELXVDB-UHFFFAOYSA-N 1 0 442.563 4.171 40 0 IIABRO O=C(NCc1ccco1)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063502 569219977 /nfs/dbraw/zinc/21/99/77/569219977.db2.gz GBEWWVTYQFBSMY-UHFFFAOYSA-N 1 0 435.499 4.199 40 0 IIABRO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ncccc2C)C1 ZINC000019237791 569226417 /nfs/dbraw/zinc/22/64/17/569226417.db2.gz IRSHULNKOTXEDY-CJFMBICVSA-N 1 0 430.552 4.177 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCCN(Cc3ccc(F)cc3)C2)[N@H+](C)C1 ZINC000019587531 569227272 /nfs/dbraw/zinc/22/72/72/569227272.db2.gz PRHIXVSQKXXKFU-VIZSFHNOSA-N 1 0 425.548 4.005 40 0 IIABRO COc1cccc(-c2ccc([C@H]3CN(C(=O)c4cccc(C[NH+](C)C)c4)CCO3)nc2)c1 ZINC000019693579 569228955 /nfs/dbraw/zinc/22/89/55/569228955.db2.gz WGNPHVPJISRTIY-RUZDIDTESA-N 1 0 431.536 4.033 40 0 IIABRO COc1ccc(CN2C(=O)CCCC[C@H]3[N@H+](Cc4cccnc4N(C)C)CC[C@]32C)cc1 ZINC000019713382 569235648 /nfs/dbraw/zinc/23/56/48/569235648.db2.gz RYQUJNJPGOBTAH-ZEQKJWHPSA-N 1 0 436.600 4.092 40 0 IIABRO COc1cccc(C[NH+]2CCC(c3ncc(C(=O)Nc4ccccc4)c(C)n3)CC2)c1OC ZINC000019764189 569238399 /nfs/dbraw/zinc/23/83/99/569238399.db2.gz QGNARIOEYYVIAN-UHFFFAOYSA-N 1 0 446.551 4.434 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765501 569238853 /nfs/dbraw/zinc/23/88/53/569238853.db2.gz DJQDICGVYSVKNG-HXUWFJFHSA-N 1 0 436.506 4.373 40 0 IIABRO COc1ccc(OC)c(NC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000020241825 569241180 /nfs/dbraw/zinc/24/11/80/569241180.db2.gz BHZYVDYNNPZKDO-UHFFFAOYSA-N 1 0 445.563 4.274 40 0 IIABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)nc2C)c1 ZINC000019763355 569328865 /nfs/dbraw/zinc/32/88/65/569328865.db2.gz RRYDXOLAAUKVAX-OAQYLSRUSA-N 1 0 448.542 4.242 40 0 IIABRO COc1ccccc1CNC(=O)c1cnc(C2CC[NH+](Cc3ccc(F)cc3)CC2)nc1C ZINC000019766567 569329010 /nfs/dbraw/zinc/32/90/10/569329010.db2.gz YYQFANRXKQCJQI-UHFFFAOYSA-N 1 0 448.542 4.242 40 0 IIABRO C[NH+](C)CCNc1nc(Nc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328968503 569582894 /nfs/dbraw/zinc/58/28/94/569582894.db2.gz DAKMMPONTGOURQ-UHFFFAOYSA-N 1 0 435.425 4.898 40 0 IIABRO COc1ccc(CN2[C@@H]3CC[C@H]2c2cnc4cc(C(C)(C)C)nn4c2C3)cc1C[NH+](C)C ZINC000036719068 524043368 /nfs/dbraw/zinc/04/33/68/524043368.db2.gz CCRRAMXRVQQWFX-CTNGQTDRSA-N 1 0 433.600 4.359 40 0 IIABRO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CC1(O)CC[NH+](Cc2cccs2)CC1 ZINC000012233934 526215619 /nfs/dbraw/zinc/21/56/19/526215619.db2.gz JBZAVVMQUFGXHZ-UHFFFAOYSA-N 1 0 436.499 4.417 40 0 IIABRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182754 526754277 /nfs/dbraw/zinc/75/42/77/526754277.db2.gz NWTKMFHFVNJVJQ-KMQSCTNJSA-N 1 0 428.577 4.041 40 0 IIABRO COc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000000607779 555510757 /nfs/dbraw/zinc/51/07/57/555510757.db2.gz GYKFWCDBQAFCLJ-RTWAWAEBSA-N 1 0 448.972 4.022 40 0 in-man IIABRO O=C(COc1ccc(Br)cc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015140213 556506262 /nfs/dbraw/zinc/50/62/62/556506262.db2.gz CDYKLXQWXXORJH-UHFFFAOYSA-N 1 0 437.765 4.394 40 0 IIABRO O=C(NCc1cccnc1)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030942137 556516152 /nfs/dbraw/zinc/51/61/52/556516152.db2.gz XTSOEJJPQUAFQW-OAQYLSRUSA-N 1 0 446.526 4.001 40 0 IIABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000013672783 556552967 /nfs/dbraw/zinc/55/29/67/556552967.db2.gz LGDZZGSIKPPPFI-DEOSSOPVSA-N 1 0 441.597 4.050 40 0 IIABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000013672786 556552998 /nfs/dbraw/zinc/55/29/98/556552998.db2.gz LGDZZGSIKPPPFI-XMMPIXPASA-N 1 0 441.597 4.050 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1OC ZINC000015890200 556561671 /nfs/dbraw/zinc/56/16/71/556561671.db2.gz YETHDVTXEXWSPK-XMMPIXPASA-N 1 0 436.596 4.397 40 0 IIABRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401409 556606010 /nfs/dbraw/zinc/60/60/10/556606010.db2.gz FOTIMRMKQDCRBT-UHFFFAOYSA-N 1 0 448.947 4.038 40 0 IIABRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2F)cc1 ZINC000016450002 556609191 /nfs/dbraw/zinc/60/91/91/556609191.db2.gz BHHIWBUOEPEIKV-UHFFFAOYSA-N 1 0 448.947 4.038 40 0 IIABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044855650 556671888 /nfs/dbraw/zinc/67/18/88/556671888.db2.gz WHBQLHPYLZUFDU-XMSQKQJNSA-N 1 0 426.532 4.465 40 0 IIABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856982 556672836 /nfs/dbraw/zinc/67/28/36/556672836.db2.gz ONAICEYYTDMUCT-JOCHJYFZSA-N 1 0 449.016 4.223 40 0 IIABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856980 556672850 /nfs/dbraw/zinc/67/28/50/556672850.db2.gz AANBERVWZWRWII-JOCHJYFZSA-N 1 0 449.016 4.223 40 0 IIABRO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(Cl)c1Cl ZINC000044874081 556673705 /nfs/dbraw/zinc/67/37/05/556673705.db2.gz CIPUXOLGQXREJP-UHFFFAOYSA-N 1 0 443.396 4.466 40 0 IIABRO COc1coc(C(=O)NC2CC[NH+](CC3(c4ccc(Cl)cc4)CCC3)CC2)c1OC ZINC000045324583 556686032 /nfs/dbraw/zinc/68/60/32/556686032.db2.gz DYWLTFCIURFJLX-UHFFFAOYSA-N 1 0 432.948 4.266 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1OC ZINC000019081868 556696832 /nfs/dbraw/zinc/69/68/32/556696832.db2.gz WERUYJYCNVSCAS-WMZHIEFXSA-N 1 0 425.573 4.214 40 0 IIABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCOC[C@H](Cc2cn3ccnc3cn2)C1 ZINC000257337684 556706722 /nfs/dbraw/zinc/70/67/22/556706722.db2.gz YTYHRZSALNWZML-HXUWFJFHSA-N 1 0 428.536 4.096 40 0 IIABRO COc1ccc2c(c1)c(C[N@H+](Cc1ccncc1)Cc1ccc(C)cc1)cn2CC(N)=O ZINC000019210184 556708793 /nfs/dbraw/zinc/70/87/93/556708793.db2.gz JYXXYKRADCAWJV-UHFFFAOYSA-N 1 0 428.536 4.041 40 0 IIABRO COc1ccc(F)cc1-c1ccc(CC2(C(=O)N[C@H]3CCC[N@H+](C)C3)CCOCC2)cc1 ZINC000257267759 556713509 /nfs/dbraw/zinc/71/35/09/556713509.db2.gz MIQFSZAEBZYQDF-QFIPXVFZSA-N 1 0 440.559 4.051 40 0 IIABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019235964 556720417 /nfs/dbraw/zinc/72/04/17/556720417.db2.gz DEOLHNUHWQAPSQ-HXUWFJFHSA-N 1 0 446.599 4.174 40 0 IIABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019235963 556720516 /nfs/dbraw/zinc/72/05/16/556720516.db2.gz DYUBELNMYPLFLG-IBGZPJMESA-N 1 0 432.572 4.164 40 0 IIABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccccc3OCc3ccccn3)C[C@H]2c2ccccn2)N1 ZINC000019349455 556744334 /nfs/dbraw/zinc/74/43/34/556744334.db2.gz PHLLBDXGAGKXQL-WNCULLNHSA-N 1 0 442.563 4.084 40 0 IIABRO O=C1CCCC[C@]2(C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]2c2ccccn2)N1 ZINC000019402003 556753938 /nfs/dbraw/zinc/75/39/38/556753938.db2.gz HRIZAMBNSMIJIC-RPLLCQBOSA-N 1 0 442.563 4.084 40 0 IIABRO O=C(Cc1ccsc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019406432 556754998 /nfs/dbraw/zinc/75/49/98/556754998.db2.gz ZLBRRLXCIJPWHC-OAQYLSRUSA-N 1 0 440.613 4.088 40 0 IIABRO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019447332 556756630 /nfs/dbraw/zinc/75/66/30/556756630.db2.gz VDAHMECZVUDPFG-MHZLTWQESA-N 1 0 428.580 4.351 40 0 IIABRO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H](C)[NH+]4CCCCC4)C3)cc2n1 ZINC000019452378 556763344 /nfs/dbraw/zinc/76/33/44/556763344.db2.gz NYFITACOMNLAHY-CVEARBPZSA-N 1 0 437.510 4.062 40 0 IIABRO C[C@H](CC[N@@H+]1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000019455646 556765610 /nfs/dbraw/zinc/76/56/10/556765610.db2.gz QYXYSPJQLRYFRP-ZBLYBZFDSA-N 1 0 428.580 4.447 40 0 IIABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)Cc4ccccc4)[nH]c(=O)c3C2)CC1 ZINC000019495996 556768678 /nfs/dbraw/zinc/76/86/78/556768678.db2.gz CVJPRUAGPZDJBK-KXNZUKPASA-N 1 0 434.584 4.025 40 0 IIABRO CCOc1ccc2c(c1)c(C[N@@H+]1C[C@@H](c3ccccn3)[C@]3(C1)CCCCC(=O)N3)c(C)n2C ZINC000019519897 556775588 /nfs/dbraw/zinc/77/55/88/556775588.db2.gz OOZDFAZAKUXVND-WNCULLNHSA-N 1 0 446.595 4.309 40 0 IIABRO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000019522026 556778948 /nfs/dbraw/zinc/77/89/48/556778948.db2.gz GXLXWFYYHWIXAO-AWEZNQCLSA-N 1 0 434.466 4.040 40 0 IIABRO CCc1ncc(C[N@@H+]2CCC[C@](Cc3ccccc3-c3ccncc3)(C(=O)N(C)C)C2)cn1 ZINC000019523376 556780732 /nfs/dbraw/zinc/78/07/32/556780732.db2.gz XIJCZTDGBULWPA-HHHXNRCGSA-N 1 0 443.595 4.014 40 0 IIABRO CCn1cc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)c2ccccc21 ZINC000019524767 556782045 /nfs/dbraw/zinc/78/20/45/556782045.db2.gz ZRUNMDXZNHPDSO-ZEQRLZLVSA-N 1 0 436.552 4.054 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001378312 556795186 /nfs/dbraw/zinc/79/51/86/556795186.db2.gz UMKYGHJTVFXOLK-HXUWFJFHSA-N 1 0 436.531 4.494 40 0 IIABRO CCc1ccccc1NC(=O)C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000001380620 556796941 /nfs/dbraw/zinc/79/69/41/556796941.db2.gz WVAZIVBBXHONOM-UHFFFAOYSA-N 1 0 431.462 4.288 40 0 IIABRO COc1ccc(C[NH+]2CCC([C@@H](NC(=O)C3CCCC3)c3ccccn3)CC2)cc1OC ZINC000019560856 556802300 /nfs/dbraw/zinc/80/23/00/556802300.db2.gz VQQOVWXXNUGCLW-RUZDIDTESA-N 1 0 437.584 4.359 40 0 IIABRO COc1cccc(C2([NH2+]Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)CCCC2)c1 ZINC000019565006 556805905 /nfs/dbraw/zinc/80/59/05/556805905.db2.gz IQWVCRMFIOVAEW-UHFFFAOYSA-N 1 0 447.579 4.068 40 0 IIABRO COc1cccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C[C@@H]32)c1 ZINC000019566329 556807137 /nfs/dbraw/zinc/80/71/37/556807137.db2.gz APIWRBGKPGRDHV-PQNGQFLHSA-N 1 0 426.507 4.200 40 0 IIABRO COc1cccc(C[N@@H+]2CC[C@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)c1OC ZINC000019567569 556807872 /nfs/dbraw/zinc/80/78/72/556807872.db2.gz IELRAGLQGLDTAN-HHHXNRCGSA-N 1 0 430.548 4.291 40 0 IIABRO CC[NH+](CC)CCCNC(=S)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000004131874 556818993 /nfs/dbraw/zinc/81/89/93/556818993.db2.gz RDFFZXUBGHYNFV-UHFFFAOYSA-N 1 0 428.646 4.188 40 0 IIABRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc(-c2ccncc2)c2cnccc2n1 ZINC000019582613 556820438 /nfs/dbraw/zinc/82/04/38/556820438.db2.gz BRFNRFGMBGLHJS-UHFFFAOYSA-N 1 0 429.499 4.035 40 0 IIABRO CCCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCC[N@@H+]1CC ZINC000004217052 556821188 /nfs/dbraw/zinc/82/11/88/556821188.db2.gz RHYWVDWRGBLPLS-NRFANRHFSA-N 1 0 428.646 4.106 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019584418 556821817 /nfs/dbraw/zinc/82/18/17/556821817.db2.gz WTARYLFPVVWYIU-LJQANCHMSA-N 1 0 433.556 4.001 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019591330 556826437 /nfs/dbraw/zinc/82/64/37/556826437.db2.gz JTZKDCMGGLNUOC-HHHXNRCGSA-N 1 0 429.564 4.328 40 0 IIABRO CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000019591733 556827514 /nfs/dbraw/zinc/82/75/14/556827514.db2.gz DNNSNWMSWKQQFX-NDEPHWFRSA-N 1 0 436.559 4.478 40 0 IIABRO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019688334 556842940 /nfs/dbraw/zinc/84/29/40/556842940.db2.gz ZELGMBYLWYFCHD-FQEVSTJZSA-N 1 0 431.502 4.493 40 0 IIABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019688332 556843012 /nfs/dbraw/zinc/84/30/12/556843012.db2.gz ZELGMBYLWYFCHD-HXUWFJFHSA-N 1 0 431.502 4.493 40 0 IIABRO Cc1nc(C2CC[NH+](Cc3cccnc3)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019703709 556862157 /nfs/dbraw/zinc/86/21/57/556862157.db2.gz VAJISCKMALHFLS-UHFFFAOYSA-N 1 0 445.542 4.178 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(C)nn(-c4ccccn4)c3n2)cc1CO ZINC000019742454 556886438 /nfs/dbraw/zinc/88/64/38/556886438.db2.gz VLTBZXKBXCRPNK-QHCPKHFHSA-N 1 0 443.551 4.352 40 0 IIABRO CCc1c(C)nc2cc(C3CCOCC3)nn2c1NC[C@@H](c1ccccc1F)[NH+](C)C ZINC000072336888 556909528 /nfs/dbraw/zinc/90/95/28/556909528.db2.gz QURXGKGIFLGKHD-QFIPXVFZSA-N 1 0 425.552 4.348 40 0 IIABRO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000072337789 556910761 /nfs/dbraw/zinc/91/07/61/556910761.db2.gz HPDFJXXPPNBDQC-YBAQQERZSA-N 1 0 448.592 4.443 40 0 IIABRO COc1ccc2c(C[N@@H+]3CC[C@H](c4c5cccnc5sc4C(=O)N(C)C)C3)cn(C)c2c1 ZINC000072352526 556924572 /nfs/dbraw/zinc/92/45/72/556924572.db2.gz CWTLFUDIIIISLK-INIZCTEOSA-N 1 0 448.592 4.488 40 0 IIABRO COc1ccc(CN2C(=O)Cc3c2nc([C@@H]2CCC[N@@H+](C4CCCCC4)C2)nc3C)cc1 ZINC000072352825 556925208 /nfs/dbraw/zinc/92/52/08/556925208.db2.gz UZVUPAXXMSDLQX-HXUWFJFHSA-N 1 0 434.584 4.395 40 0 IIABRO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@@H+](CC(=O)N(C)C4CCCCC4)C3)nc2)n1 ZINC000072353275 556926308 /nfs/dbraw/zinc/92/63/08/556926308.db2.gz WXZPKCLJVSINHT-FQEVSTJZSA-N 1 0 436.604 4.203 40 0 IIABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409052636 556931082 /nfs/dbraw/zinc/93/10/82/556931082.db2.gz HKSGOKHYOIUVAT-ZCEBDVNOSA-O 1 0 439.322 4.010 40 0 IIABRO CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000072370508 556935122 /nfs/dbraw/zinc/93/51/22/556935122.db2.gz MLYVKDAYADEIID-GOSISDBHSA-N 1 0 427.614 4.013 40 0 IIABRO CC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NC1CC[NH+](C)CC1 ZINC000072370790 556936525 /nfs/dbraw/zinc/93/65/25/556936525.db2.gz XTAPYDBXXLOBNE-IBGZPJMESA-N 1 0 427.614 4.059 40 0 IIABRO Cc1nc(C2CC[NH+](CCc3ccccc3)CC2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000072371176 556937645 /nfs/dbraw/zinc/93/76/45/556937645.db2.gz CXBIWPMJQQULIU-UHFFFAOYSA-N 1 0 441.579 4.082 40 0 IIABRO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371470 556938995 /nfs/dbraw/zinc/93/89/95/556938995.db2.gz LYVCCSCZJDKELJ-MRXNPFEDSA-N 1 0 433.478 4.081 40 0 IIABRO CC[NH+]1CCC(CC(=O)N2CCC[C@@H]2c2ccc3c(NCc4ccccc4)n[nH]c3n2)CC1 ZINC000072374565 556948449 /nfs/dbraw/zinc/94/84/49/556948449.db2.gz PXDWIVWWRUFTHY-HSZRJFAPSA-N 1 0 446.599 4.356 40 0 IIABRO Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)[nH+]1 ZINC000072374911 556949389 /nfs/dbraw/zinc/94/93/89/556949389.db2.gz AVVCGILXXKRQDK-MRXNPFEDSA-N 1 0 443.960 4.145 40 0 IIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)CC4(O)CCCCC4)C3)c2)n1 ZINC000072375012 556950151 /nfs/dbraw/zinc/95/01/51/556950151.db2.gz MCBYFCOKWBATQQ-FQEVSTJZSA-N 1 0 437.588 4.332 40 0 IIABRO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cn1 ZINC000072375037 556950413 /nfs/dbraw/zinc/95/04/13/556950413.db2.gz VTHOUXAQCHNVKO-OAQYLSRUSA-N 1 0 432.572 4.196 40 0 IIABRO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)n(C)c(=O)n4C)C2)n1 ZINC000072376081 556953777 /nfs/dbraw/zinc/95/37/77/556953777.db2.gz NNXOMCNPJAHKNZ-HXUWFJFHSA-N 1 0 442.567 4.099 40 0 IIABRO COc1ccc(C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)cc1Cc1c(C)noc1C ZINC000072395307 556966716 /nfs/dbraw/zinc/96/67/16/556966716.db2.gz DKZRSQGVNYXDAE-SSEPRJSISA-N 1 0 447.579 4.324 40 0 IIABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+](Cc4cc5c(cc4C)OCO5)C3)cc2n1 ZINC000072397144 556969920 /nfs/dbraw/zinc/96/99/20/556969920.db2.gz INEXAHQDMGNRCB-OAHLLOKOSA-N 1 0 432.446 4.473 40 0 IIABRO COCCOc1cccc(C[NH2+]C[C@H]2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)CC2)c1 ZINC000257231056 556984633 /nfs/dbraw/zinc/98/46/33/556984633.db2.gz GFALESGGTMRRHE-XUTJKUGGSA-N 1 0 447.579 4.423 40 0 IIABRO O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12)c1cccs1 ZINC000585110045 557042539 /nfs/dbraw/zinc/04/25/39/557042539.db2.gz ATQIMSHMHQZXCZ-NHCUHLMSSA-N 1 0 431.561 4.172 40 0 IIABRO COc1ccc(S[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1OC ZINC000216244229 557140971 /nfs/dbraw/zinc/14/09/71/557140971.db2.gz MCESNMHXGBUMHU-VQFGERMISA-N 1 0 426.582 4.042 40 0 IIABRO COc1ccc(N(C)c2ccc3ccc(C(=O)N4CCN(c5cc[nH+]cc5)CC4)cn32)cc1 ZINC000096146222 557176672 /nfs/dbraw/zinc/17/66/72/557176672.db2.gz SFRKNZHIJXOVLB-UHFFFAOYSA-N 1 0 441.535 4.073 40 0 IIABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108338 557177920 /nfs/dbraw/zinc/17/79/20/557177920.db2.gz XPJAJMLKJAQLHX-UHFFFAOYSA-N 1 0 429.524 4.157 40 0 IIABRO O=C(CCc1cccnc1)N1C[C@@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000096245520 557188260 /nfs/dbraw/zinc/18/82/60/557188260.db2.gz ZHLXVBMHQDXKJZ-WMPKNSHKSA-N 1 0 425.576 4.237 40 0 IIABRO COc1ccc(-c2ccc3nc(C4CC[NH+](Cc5cccnc5)CC4)nn3c2)c(OC)c1 ZINC000096267322 557192801 /nfs/dbraw/zinc/19/28/01/557192801.db2.gz SQRROWCEBMNRBL-UHFFFAOYSA-N 1 0 429.524 4.188 40 0 IIABRO C[N@H+](CCc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000585263539 557204046 /nfs/dbraw/zinc/20/40/46/557204046.db2.gz UIIAPZMEXSANAC-LWSSLDFYSA-N 1 0 440.584 4.025 40 0 IIABRO Cc1ccc(OCC2(O)CC[NH+](Cc3cccc(OCCCn4cccn4)c3)CC2)cc1 ZINC000585271848 557216341 /nfs/dbraw/zinc/21/63/41/557216341.db2.gz DMSGEBSTVKRNTF-UHFFFAOYSA-N 1 0 435.568 4.067 40 0 IIABRO OC1(COc2ccccc2F)CC[NH+](Cc2cccc(OCC[NH+]3CCCCC3)c2)CC1 ZINC000585280323 557220409 /nfs/dbraw/zinc/22/04/09/557220409.db2.gz MPAXKPOGJDXVOR-UHFFFAOYSA-N 1 0 442.575 4.096 40 0 IIABRO CN(C)C(=O)N[C@H]1CC[C@H](CC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)CC1 ZINC000100153731 557244096 /nfs/dbraw/zinc/24/40/96/557244096.db2.gz KPWSJANDNDDRMB-CALCHBBNSA-N 1 0 427.420 4.336 40 0 in-man IIABRO Cc1cc(C)cc(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000026781396 557248492 /nfs/dbraw/zinc/24/84/92/557248492.db2.gz TWCLIQFMULLUEI-SANMLTNESA-N 1 0 430.592 4.450 40 0 IIABRO CCCC[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057671207 557257025 /nfs/dbraw/zinc/25/70/25/557257025.db2.gz NMUQWNRGHXDJRC-FQEVSTJZSA-N 1 0 428.968 4.330 40 0 IIABRO CCOc1cc(CNCC[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)cc1Cl ZINC000023471987 557314861 /nfs/dbraw/zinc/31/48/61/557314861.db2.gz LQFNYGWVIFBHJM-OAHLLOKOSA-N 1 0 427.372 4.031 40 0 IIABRO CCOc1cc(CNCC[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)cc1Cl ZINC000023471988 557315013 /nfs/dbraw/zinc/31/50/13/557315013.db2.gz LQFNYGWVIFBHJM-HNNXBMFYSA-N 1 0 427.372 4.031 40 0 IIABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1ccccc1 ZINC000223265072 557452937 /nfs/dbraw/zinc/45/29/37/557452937.db2.gz UQULYISCDCYNLV-ZEQRLZLVSA-N 1 0 433.625 4.082 40 0 IIABRO Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C(=O)N2CCCC2)c1 ZINC000225488111 557728811 /nfs/dbraw/zinc/72/88/11/557728811.db2.gz FDBNXUOWZTUSKM-UHFFFAOYSA-N 1 0 440.591 4.416 40 0 IIABRO CC[C@@H]1c2ccc(OC)c3c2[C@]24CC[N@@H+](C)[C@H]1[C@]21C=C[C@@](OC)([C@H](C(C)(C)O)C1)[C@@]4(C)O3 ZINC000253504120 560037823 /nfs/dbraw/zinc/03/78/23/560037823.db2.gz CQJSMSATJDJBEL-TXRNNYDISA-N 1 0 439.596 4.028 40 0 biogenic,in-vitro IIABRO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@H](O)Cn3ccc4ccccc43)cc2)n1 ZINC000585270019 568616748 /nfs/dbraw/zinc/61/67/48/568616748.db2.gz BPFSSZIXDHVZTF-DEOSSOPVSA-N 1 0 432.568 4.027 40 0 IIABRO Cc1cnn(CCOc2ccc(C[NH+]3CCC(O)(COc4ccc(C)cc4C)CC3)cc2)c1 ZINC000585272985 568618090 /nfs/dbraw/zinc/61/80/90/568618090.db2.gz MABRUSIKMQBVJY-UHFFFAOYSA-N 1 0 449.595 4.293 40 0 IIABRO O[C@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000585272979 568618177 /nfs/dbraw/zinc/61/81/77/568618177.db2.gz PWXLUWUAQQTMSX-AREMUKBSSA-N 1 0 442.575 4.096 40 0 IIABRO CCOCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585274674 568618515 /nfs/dbraw/zinc/61/85/15/568618515.db2.gz ZHDXZJTWQYDWIV-XMMPIXPASA-N 1 0 433.976 4.470 40 0 IIABRO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)C2(Cc3ccccc3-c3ccncc3)CCOCC2)C1 ZINC000257197525 568664921 /nfs/dbraw/zinc/66/49/21/568664921.db2.gz CBALBWOTUMDPJG-FGZHOGPDSA-N 1 0 435.612 4.182 40 0 IIABRO Cc1nc2cc([C@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257201501 568665777 /nfs/dbraw/zinc/66/57/77/568665777.db2.gz AHXQQVAKUYXRLP-ZJSXRUAMSA-N 1 0 435.616 4.394 40 0 IIABRO CCOc1cc2c(cc1C[NH+]1CCC(c3cncc(Nc4ncccn4)n3)CC1)O[C@@H](C)C2 ZINC000257212443 568671075 /nfs/dbraw/zinc/67/10/75/568671075.db2.gz CDKWJHNKCGXHSY-KRWDZBQOSA-N 1 0 446.555 4.112 40 0 IIABRO Cc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)CCc3nnc(C(C)C)o3)C2)[nH+]1 ZINC000257216901 568672754 /nfs/dbraw/zinc/67/27/54/568672754.db2.gz CWPCZBZVXQRSKP-HNNXBMFYSA-N 1 0 426.546 4.045 40 0 IIABRO COc1ccc2c(c1)[C@H]1OCC3(CC[NH+](Cc4cnc(OC)nc4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257232553 568680150 /nfs/dbraw/zinc/68/01/50/568680150.db2.gz GLIYYGJQAWSRRY-RBBKRZOGSA-N 1 0 439.556 4.025 40 0 IIABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)[nH+]1 ZINC000257233363 568680654 /nfs/dbraw/zinc/68/06/54/568680654.db2.gz GOYLFLJZCVCQJQ-IBGZPJMESA-N 1 0 433.531 4.164 40 0 IIABRO COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(C(=O)CC[NH+]4CCCC4)CC3)CO[C@H]21 ZINC000257247340 568687315 /nfs/dbraw/zinc/68/73/15/568687315.db2.gz IYODNRHVLAPLRE-XUZZJYLKSA-N 1 0 442.600 4.039 40 0 IIABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)cc1 ZINC000257247979 568687626 /nfs/dbraw/zinc/68/76/26/568687626.db2.gz JBMGRWUCOVUUHZ-OAQYLSRUSA-N 1 0 436.600 4.083 40 0 IIABRO Cc1cc(C)nc(Nc2ccc([C@@H]3CN(Cc4ccnc5ccccc45)CCO3)nc2)n1 ZINC000257264060 568694962 /nfs/dbraw/zinc/69/49/62/568694962.db2.gz LSSQTLOIVUHLOU-DEOSSOPVSA-N 1 0 426.524 4.354 40 0 IIABRO CC(C)Oc1ccc([C@@H]2CN(C(=O)c3cccc(Nc4ncccn4)c3)CCN2C)cc1 ZINC000257270065 568697597 /nfs/dbraw/zinc/69/75/97/568697597.db2.gz MSQKRFMQTLXAQS-QHCPKHFHSA-N 1 0 431.540 4.136 40 0 IIABRO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)[nH+]1 ZINC000257288699 568706350 /nfs/dbraw/zinc/70/63/50/568706350.db2.gz PVFMRJCCVYMFFP-INIZCTEOSA-N 1 0 444.507 4.293 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000257329810 568724215 /nfs/dbraw/zinc/72/42/15/568724215.db2.gz XLPVYXJHZACUET-BKMJKUGQSA-N 1 0 440.559 4.194 40 0 IIABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)CN4Cc5ccccc5C4=O)C3)c2)cc1 ZINC000257337180 568727297 /nfs/dbraw/zinc/72/72/97/568727297.db2.gz YRTGWPBVBBHWNL-NRFANRHFSA-N 1 0 440.547 4.414 40 0 IIABRO CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3cccc(Oc4ncccn4)c3)CC[C@H]21 ZINC000257339024 568728179 /nfs/dbraw/zinc/72/81/79/568728179.db2.gz YZWRYRHFFOBPFA-UBFVSLLYSA-N 1 0 446.526 4.244 40 0 IIABRO CN1C(=O)CO[C@H]2CC[N@@H+](Cc3cc(C(C)(C)C)ccc3OCc3ccccc3)CC[C@@H]21 ZINC000257340823 568728891 /nfs/dbraw/zinc/72/88/91/568728891.db2.gz ZHQMLHNGHDTXPL-ZCYQVOJMSA-N 1 0 436.596 4.385 40 0 IIABRO Cc1ncc2c(n1)C1(CC[NH+](Cc3ccccc3)CC1)CN(C(=O)Nc1ccccc1)C2 ZINC000306127272 568764631 /nfs/dbraw/zinc/76/46/31/568764631.db2.gz FTUBEWBCKGQDQZ-UHFFFAOYSA-N 1 0 427.552 4.367 40 0 IIABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306127771 568764918 /nfs/dbraw/zinc/76/49/18/568764918.db2.gz GHJFXWXSYPYRLI-GBXCKJPGSA-N 1 0 426.992 4.346 40 0 IIABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2ccsc2)C[C@]12CCCN(Cc1ccccn1)C2=O ZINC000306140932 568772042 /nfs/dbraw/zinc/77/20/42/568772042.db2.gz VHAMRAACOBDWRN-WIOPSUGQSA-N 1 0 449.624 4.329 40 0 IIABRO CC(C)c1nc(N2CCc3cc(Br)ccc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328990364 568808680 /nfs/dbraw/zinc/80/86/80/568808680.db2.gz IOHUDRFILKDFLI-SFHVURJKSA-N 1 0 433.394 4.354 40 0 IIABRO COc1ccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329040809 568810159 /nfs/dbraw/zinc/81/01/59/568810159.db2.gz SGAFWJRVKHVJPG-UHFFFAOYSA-N 1 0 445.489 4.122 40 0 IIABRO Brc1cccc(-c2nnc3sc(C[NH2+]Cc4ccc5c(c4)OCO5)cn32)c1 ZINC000017149882 569174856 /nfs/dbraw/zinc/17/48/56/569174856.db2.gz MKMASDWDZDPZCE-UHFFFAOYSA-N 1 0 443.326 4.239 40 0 IIABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)c1 ZINC000019551497 569227018 /nfs/dbraw/zinc/22/70/18/569227018.db2.gz PNFINCDYPJJPDZ-CJFMBICVSA-N 1 0 437.584 4.359 40 0 IIABRO CC(C)COc1ccccc1C[N@@H+]1CC[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019686902 569227465 /nfs/dbraw/zinc/22/74/65/569227465.db2.gz AJSJKQPBGOWHLX-FQEVSTJZSA-N 1 0 432.572 4.024 40 0 IIABRO Cc1nc([C@]2(O)CCC[N@H+](Cc3ccccn3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704901 569233726 /nfs/dbraw/zinc/23/37/26/569233726.db2.gz CQQMLRFICJOFOY-DEOSSOPVSA-N 1 0 441.572 4.481 40 0 IIABRO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](c3ccc4c(NCc5ccccc5)n[nH]c4n3)C2)CC1 ZINC000019705135 569233985 /nfs/dbraw/zinc/23/39/85/569233985.db2.gz WSNURJZVKBOBRX-NRFANRHFSA-N 1 0 446.599 4.006 40 0 IIABRO CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CC[N@H+](CCOc2ccccc2F)C1 ZINC000019739222 569236602 /nfs/dbraw/zinc/23/66/02/569236602.db2.gz QFZYONAYMCHQRD-VWLOTQADSA-N 1 0 443.563 4.263 40 0 IIABRO COc1ccccc1NC(=O)c1cnc([C@@H]2CC[N@H+](Cc3ccc(C)cc3OC)C2)nc1C ZINC000019766094 569239164 /nfs/dbraw/zinc/23/91/64/569239164.db2.gz SNBYJGDFKORUTQ-HXUWFJFHSA-N 1 0 446.551 4.352 40 0 IIABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)CC1 ZINC000107636018 569250757 /nfs/dbraw/zinc/25/07/57/569250757.db2.gz UXFRKFCJIUOEGU-VQHVLOKHSA-N 1 0 449.407 4.272 40 0 IIABRO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5CC(=O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000070665689 569315223 /nfs/dbraw/zinc/31/52/23/569315223.db2.gz HIDAYMRWVVNXAO-CPPSCGOUSA-N 1 0 427.629 4.095 40 0 biogenic IIABRO COc1ccc(-c2nc(C3CC[NH+](Cc4ccccc4OC(C)C)CC3)[nH]c2C(N)=O)cc1 ZINC000019696978 569326710 /nfs/dbraw/zinc/32/67/10/569326710.db2.gz ULRHGTSSRAXTRY-UHFFFAOYSA-N 1 0 448.567 4.351 40 0 IIABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)n1 ZINC000019694626 569326787 /nfs/dbraw/zinc/32/67/87/569326787.db2.gz ZNQKIXQNOMXHPS-FQEVSTJZSA-N 1 0 449.986 4.342 40 0 IIABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(Cc1ccccc1-c1ccccc1OC)C2 ZINC000019707111 569327412 /nfs/dbraw/zinc/32/74/12/569327412.db2.gz WZKKYPIAVPRVNN-QFIPXVFZSA-N 1 0 429.568 4.177 40 0 IIABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)c1ccccc1-c1ccccc1)CC2 ZINC000019710321 569327561 /nfs/dbraw/zinc/32/75/61/569327561.db2.gz ZBPIVNUEJICDCU-HXUWFJFHSA-N 1 0 441.579 4.193 40 0 IIABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)nc2C)c1 ZINC000019763402 569328893 /nfs/dbraw/zinc/32/88/93/569328893.db2.gz KBZHMFFPPLIWJJ-HSZRJFAPSA-N 1 0 444.579 4.146 40 0 IIABRO CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000008635485 291379551 /nfs/dbraw/zinc/37/95/51/291379551.db2.gz ZKLHUBSPZXXOCF-WWNPGLIZSA-N 1 0 431.584 4.126 40 0 biogenic,in-vitro IIABRO CN1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000030879565 291381831 /nfs/dbraw/zinc/38/18/31/291381831.db2.gz KXSWXFJGWFFRCY-IRXDYDNUSA-N 1 0 431.418 4.322 40 0 biogenic,in-vitro IIABRO CC[NH+](CC)CCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000006193155 193890102 /nfs/dbraw/zinc/89/01/02/193890102.db2.gz RGRGGYGLJOMGST-UHFFFAOYSA-N 1 0 442.673 4.496 40 0 IIABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000223259319 193958547 /nfs/dbraw/zinc/95/85/47/193958547.db2.gz SHVGCQNJGJABON-LEWJYISDSA-N 1 0 443.979 4.199 40 0 IIABRO CCOc1cc(C[NH2+]CCCSc2nnnn2C)cc(Cl)c1OCc1ccccc1 ZINC000022109278 520714521 /nfs/dbraw/zinc/71/45/21/520714521.db2.gz AYIBMOKVKHDSOM-UHFFFAOYSA-N 1 0 447.992 4.113 40 0 IIABRO C[NH+](C)CCCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000328974855 524055868 /nfs/dbraw/zinc/05/58/68/524055868.db2.gz FHEBJMRMYRKWFL-UHFFFAOYSA-N 1 0 448.518 4.102 40 0 IIABRO COc1ccc(NC(=O)N(CCC[NH+](C)C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000012703865 524538284 /nfs/dbraw/zinc/53/82/84/524538284.db2.gz YJEODYZKXBBONG-UHFFFAOYSA-N 1 0 436.556 4.139 40 0 IIABRO C[C@@H](C[N@H+](C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1)c1ccccc1 ZINC000012182790 524571636 /nfs/dbraw/zinc/57/16/36/524571636.db2.gz VJFPZLJEDCFEHX-BULFRSBZSA-N 1 0 438.572 4.122 40 0 IIABRO Cc1cc2c(cc1C)OC1(C=C2)CC[NH+](C[C@@H](O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000019125180 525594132 /nfs/dbraw/zinc/59/41/32/525594132.db2.gz GGFNRKNOTBEMNR-XMMPIXPASA-N 1 0 432.564 4.404 40 0 IIABRO Clc1ccc([C@H](c2nnnn2Cc2ccco2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000035310841 526962403 /nfs/dbraw/zinc/96/24/03/526962403.db2.gz BOOIYHNZNHPSPN-JOCHJYFZSA-N 1 0 440.979 4.008 40 0 IIABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000408573040 555922982 /nfs/dbraw/zinc/92/29/82/555922982.db2.gz LFVRQRTTXMBIJD-WYMLVPIESA-N 1 0 446.576 4.225 40 0 IIABRO Cc1ccc(Cl)cc1N1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000039755011 556439032 /nfs/dbraw/zinc/43/90/32/556439032.db2.gz XWAVNOABSYCHAQ-UHFFFAOYSA-N 1 0 429.967 4.348 40 0 IIABRO CC[NH+]1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2Cl)CC1 ZINC000028296068 556451267 /nfs/dbraw/zinc/45/12/67/556451267.db2.gz ZVKZUHPVWMBKMJ-JOCHJYFZSA-N 1 0 438.959 4.104 40 0 IIABRO COc1cc(C[NH2+]CCO)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016195601 556590102 /nfs/dbraw/zinc/59/01/02/556590102.db2.gz YIZOPQFZKHLKEX-UHFFFAOYSA-N 1 0 435.145 4.425 40 0 IIABRO COC(=O)c1c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)sc2c1CCCC2 ZINC000038857938 556626129 /nfs/dbraw/zinc/62/61/29/556626129.db2.gz KQWBYMKYOSBUQZ-MRXNPFEDSA-N 1 0 430.545 4.403 40 0 IIABRO COc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3ccccc3F)CC1)CC(C)(C)O2 ZINC000044855539 556672014 /nfs/dbraw/zinc/67/20/14/556672014.db2.gz OACGTJNHTRAASD-QFIPXVFZSA-N 1 0 426.532 4.465 40 0 IIABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044855681 556672019 /nfs/dbraw/zinc/67/20/19/556672019.db2.gz OEGUJAUNBOJZNL-QFIPXVFZSA-N 1 0 426.532 4.465 40 0 IIABRO O=S(=O)(Cc1ccc(Br)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874832 556673949 /nfs/dbraw/zinc/67/39/49/556673949.db2.gz KOYARNUJVFCTOY-UHFFFAOYSA-N 1 0 437.403 4.055 40 0 IIABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccccc2OC[C@@H]2CCCO2)CC1 ZINC000019021146 556693695 /nfs/dbraw/zinc/69/36/95/556693695.db2.gz FZKHZMGFNAYDHZ-NRFANRHFSA-N 1 0 426.532 4.011 40 0 IIABRO Cc1c([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)c2ccccc2n1C ZINC000019125121 556702801 /nfs/dbraw/zinc/70/28/01/556702801.db2.gz SYZLCWWVGVIYLK-BJKOFHAPSA-N 1 0 434.580 4.488 40 0 IIABRO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC000257216591 556703082 /nfs/dbraw/zinc/70/30/82/556703082.db2.gz CVFFUJAAUMHROV-UIOOFZCWSA-N 1 0 430.548 4.113 40 0 IIABRO COc1ccccc1-c1cccc(C[C@]2(C(=O)NCC[N@@H+]3CCCC[C@H]3C)CCCO2)c1 ZINC000257218453 556703525 /nfs/dbraw/zinc/70/35/25/556703525.db2.gz DDFGDFAMEXDXDS-ZBLYBZFDSA-N 1 0 436.596 4.445 40 0 IIABRO Cc1ccc([C@H](C)C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCCC3)C4)C2)cc1 ZINC000019135722 556706240 /nfs/dbraw/zinc/70/62/40/556706240.db2.gz CIMBPVAKFYYFRJ-FPOVZHCZSA-N 1 0 448.611 4.301 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3c(C)[nH]c4cc(C)ccc43)CC1)C[C@H]2O ZINC000019219622 556714037 /nfs/dbraw/zinc/71/40/37/556714037.db2.gz RNQJOQQXVTWEQC-PKTZIBPZSA-N 1 0 436.552 4.177 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3c(C)[nH]c4cc(C)ccc43)CC1)C[C@@H]2O ZINC000019219619 556714160 /nfs/dbraw/zinc/71/41/60/556714160.db2.gz RNQJOQQXVTWEQC-GOTSBHOMSA-N 1 0 436.552 4.177 40 0 IIABRO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000019236207 556720766 /nfs/dbraw/zinc/72/07/66/556720766.db2.gz TZFTVNCSJOVSCL-CPJSRVTESA-N 1 0 430.552 4.177 40 0 IIABRO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ncccc2C)C1 ZINC000019237793 556722660 /nfs/dbraw/zinc/72/26/60/556722660.db2.gz IRSHULNKOTXEDY-CPJSRVTESA-N 1 0 430.552 4.177 40 0 IIABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000019290162 556730131 /nfs/dbraw/zinc/73/01/31/556730131.db2.gz FZIZKCIXNATBJH-QFIPXVFZSA-N 1 0 430.600 4.290 40 0 IIABRO O=C(c1ccc(F)c(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019292801 556732034 /nfs/dbraw/zinc/73/20/34/556732034.db2.gz AWKSFCUWYRBYJJ-NRFANRHFSA-N 1 0 442.510 4.129 40 0 IIABRO NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000019348343 556743768 /nfs/dbraw/zinc/74/37/68/556743768.db2.gz XCKUKWZWCWOVRZ-DEOSSOPVSA-N 1 0 438.934 4.246 40 0 IIABRO Nc1cc([C@H]2CCC[N@H+](Cc3coc4ccccc4c3=O)C2)nc2cc(-c3ccco3)nn21 ZINC000019375882 556751867 /nfs/dbraw/zinc/75/18/67/556751867.db2.gz HXWLWEJIJYBJMY-INIZCTEOSA-N 1 0 441.491 4.058 40 0 IIABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc3nccnc3c2)C1)c1cccs1 ZINC000019400616 556753333 /nfs/dbraw/zinc/75/33/33/556753333.db2.gz LEHFGDXBKSYYEZ-DVECYGJZSA-N 1 0 443.576 4.470 40 0 IIABRO O=C(c1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019406404 556755183 /nfs/dbraw/zinc/75/51/83/556755183.db2.gz DIDSPULDSFFXPE-NRFANRHFSA-N 1 0 440.613 4.137 40 0 IIABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019448951 556758965 /nfs/dbraw/zinc/75/89/65/556758965.db2.gz UMIDYTSIFAOTBX-HHHXNRCGSA-N 1 0 428.580 4.493 40 0 IIABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019448931 556759027 /nfs/dbraw/zinc/75/90/27/556759027.db2.gz YOZWYDXMBPIONO-HHHXNRCGSA-N 1 0 428.580 4.493 40 0 IIABRO CCCC(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000019501289 556772993 /nfs/dbraw/zinc/77/29/93/556772993.db2.gz QEKXAHKJVUPOPD-NRFANRHFSA-N 1 0 428.621 4.448 40 0 IIABRO CCc1ncc(C[N@@H+]2CCC[C@@](Cc3ccccc3-c3ccncc3)(C(=O)N(C)C)C2)cn1 ZINC000019523375 556780739 /nfs/dbraw/zinc/78/07/39/556780739.db2.gz XIJCZTDGBULWPA-MHZLTWQESA-N 1 0 443.595 4.014 40 0 IIABRO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000001380587 556796612 /nfs/dbraw/zinc/79/66/12/556796612.db2.gz JAAYWRQAQYFSAJ-UHFFFAOYSA-N 1 0 431.462 4.343 40 0 IIABRO CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1NCC(C)(C)C[NH+](C)C ZINC000004980316 556826498 /nfs/dbraw/zinc/82/64/98/556826498.db2.gz GVDLWNNZJQVICZ-UHFFFAOYSA-N 1 0 425.577 4.284 40 0 IIABRO COCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000019592996 556829164 /nfs/dbraw/zinc/82/91/64/556829164.db2.gz DOBTWHIAGIMREV-SHQCIBLASA-N 1 0 429.564 4.465 40 0 IIABRO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@H+]2CC(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000019691017 556846935 /nfs/dbraw/zinc/84/69/35/556846935.db2.gz RLISQFONJMSCAH-DEOSSOPVSA-N 1 0 444.583 4.003 40 0 IIABRO CNc1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)C2(c3cc(C)cc(C)c3)CCCC2)n1 ZINC000019709966 556871573 /nfs/dbraw/zinc/87/15/73/556871573.db2.gz AJYFEKMYIUDYNX-FQEVSTJZSA-N 1 0 435.616 4.073 40 0 IIABRO COC(=O)c1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)c1 ZINC000408923115 556892413 /nfs/dbraw/zinc/89/24/13/556892413.db2.gz AARBRAHOBAQGLY-UHFFFAOYSA-N 1 0 443.547 4.356 40 0 IIABRO COc1ccc(NC(=O)c2cn(C)nc2CC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000019756253 556899915 /nfs/dbraw/zinc/89/99/15/556899915.db2.gz IRNYUWUZXKIZJW-UHFFFAOYSA-N 1 0 436.531 4.275 40 0 IIABRO COc1ccc2c(c1)c([C@@H](O)C[N@@H+]1CCC[C@](O)(c3ccc(F)cc3)CC1)c(C)n2C ZINC000072343229 556915009 /nfs/dbraw/zinc/91/50/09/556915009.db2.gz NYJGQVOZZSASPR-UKILVPOCSA-N 1 0 426.532 4.042 40 0 IIABRO O=C(NCCO)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000072352278 556923608 /nfs/dbraw/zinc/92/36/08/556923608.db2.gz PHTFFOPOYVCMJK-GOSISDBHSA-N 1 0 431.561 4.161 40 0 IIABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409052365 556933680 /nfs/dbraw/zinc/93/36/80/556933680.db2.gz CXTCGSKHXTYMDV-SCXNTYLCSA-O 1 0 440.567 4.443 40 0 IIABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409058145 556935220 /nfs/dbraw/zinc/93/52/20/556935220.db2.gz INWKZZVDHIDXSF-ZCEBDVNOSA-O 1 0 439.322 4.010 40 0 IIABRO CC(C)C(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCC[NH+](C)C ZINC000072370636 556935688 /nfs/dbraw/zinc/93/56/88/556935688.db2.gz KJIFLXDBMKOWQV-SFHVURJKSA-N 1 0 429.630 4.162 40 0 IIABRO Cc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 ZINC000409054777 556938553 /nfs/dbraw/zinc/93/85/53/556938553.db2.gz BOPKGICGDZYXAE-PUOSSFLQSA-O 1 0 440.567 4.443 40 0 IIABRO Cc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 ZINC000409065318 556941331 /nfs/dbraw/zinc/94/13/31/556941331.db2.gz FYKRQKUIYLRMHW-HCOVDNQSSA-O 1 0 426.540 4.135 40 0 IIABRO CC(C)[N@@H+]1CCC[C@H](c2cccc(CC3(C(=O)NCCc4ccccn4)CCOCC3)c2)C1 ZINC000072372259 556941885 /nfs/dbraw/zinc/94/18/85/556941885.db2.gz RIOXGTKHLKPXFC-VWLOTQADSA-N 1 0 449.639 4.368 40 0 IIABRO Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)c1 ZINC000409073775 556946787 /nfs/dbraw/zinc/94/67/87/556946787.db2.gz SZUNWUSQLNRCPF-DLPRSZHDSA-O 1 0 426.540 4.135 40 0 IIABRO CCc1nccn1CCC(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000072374954 556949642 /nfs/dbraw/zinc/94/96/42/556949642.db2.gz ANZPKEMTABBXLV-HXUWFJFHSA-N 1 0 432.572 4.392 40 0 IIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3cc(Nc4ncccn4)cc(C)n3)C1)OCCO2 ZINC000072375040 556950333 /nfs/dbraw/zinc/95/03/33/556950333.db2.gz MLCYNJKNOIMBTA-SFHVURJKSA-N 1 0 447.539 4.083 40 0 IIABRO COCCc1ncc(C[N@@H+]2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cn1 ZINC000072375038 556950501 /nfs/dbraw/zinc/95/05/01/556950501.db2.gz VTHOUXAQCHNVKO-NRFANRHFSA-N 1 0 432.572 4.196 40 0 IIABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)CCN(C)c3ccccc3F)C2)[nH+]1 ZINC000072375074 556950755 /nfs/dbraw/zinc/95/07/55/556950755.db2.gz RCCDETZJHHLRPI-IBGZPJMESA-N 1 0 448.546 4.295 40 0 IIABRO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+]3Cc3ccc4c(c3)n(C)c(=O)n4C)n2)s1 ZINC000072375658 556952196 /nfs/dbraw/zinc/95/21/96/556952196.db2.gz KRNCKTUZQLKVNZ-GOSISDBHSA-N 1 0 434.569 4.118 40 0 IIABRO C[NH+](C)CCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)C1CCC1 ZINC000072380168 556957929 /nfs/dbraw/zinc/95/79/29/556957929.db2.gz CVWGSKCCKKCRTJ-IBGZPJMESA-N 1 0 441.641 4.307 40 0 IIABRO COc1cc(C)c(C[NH+]2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cc1C ZINC000072391335 556962089 /nfs/dbraw/zinc/96/20/89/556962089.db2.gz KQFBKCLDTVRJKU-UHFFFAOYSA-N 1 0 432.572 4.005 40 0 IIABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccc(-c5cccc(F)c5)cc4)C[C@H]32)c(OC)n1 ZINC000072392627 556963879 /nfs/dbraw/zinc/96/38/79/556963879.db2.gz ZOXFPLAWPIGCEG-VAPDBKPJSA-N 1 0 449.526 4.030 40 0 IIABRO C=Cn1cc(C[N@H+]2CCC[C@@](Cc3cc(-c4ccccc4)no3)(C(=O)OCC)C2)c(C)n1 ZINC000072394090 556965680 /nfs/dbraw/zinc/96/56/80/556965680.db2.gz YBXWKLFYZNDULE-VWLOTQADSA-N 1 0 434.540 4.335 40 0 IIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2)C1 ZINC000020039230 556971311 /nfs/dbraw/zinc/97/13/11/556971311.db2.gz HSOCHOQVWBUVMJ-KNQAVFIVSA-N 1 0 435.568 4.080 40 0 IIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2)C1 ZINC000020039233 556971450 /nfs/dbraw/zinc/97/14/50/556971450.db2.gz HSOCHOQVWBUVMJ-UGKGYDQZSA-N 1 0 435.568 4.080 40 0 IIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)cc2)C1 ZINC000020047114 556973591 /nfs/dbraw/zinc/97/35/91/556973591.db2.gz UBPANXVIGFKYCW-HXUWFJFHSA-N 1 0 442.563 4.496 40 0 IIABRO COc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022942433 557053755 /nfs/dbraw/zinc/05/37/55/557053755.db2.gz RDCSYUUFJGEHPJ-UHFFFAOYSA-N 1 0 427.770 4.341 40 0 IIABRO COc1cccc(-c2ccc3cc(C(=O)N4CCC[N@H+](C)CC4)c(-c4cocn4)n3c2)c1 ZINC000096155543 557180039 /nfs/dbraw/zinc/18/00/39/557180039.db2.gz BMOILTLEGSYAIL-UHFFFAOYSA-N 1 0 430.508 4.048 40 0 IIABRO CCc1ccccc1NC(=O)N1CCC2(C[N@@H+](CC(C)C)C[C@@]23CCN(CC)C3=O)CC1 ZINC000096262782 557190229 /nfs/dbraw/zinc/19/02/29/557190229.db2.gz BDPWTGAIYBISLR-AREMUKBSSA-N 1 0 440.632 4.073 40 0 IIABRO O=C1CCC[C@]2(C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]2c2cccc(F)c2)N1 ZINC000585261679 557195483 /nfs/dbraw/zinc/19/54/83/557195483.db2.gz FJXOXGHIKHBOBS-AHKZPQOWSA-N 1 0 445.538 4.438 40 0 IIABRO C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)NC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000585262117 557200974 /nfs/dbraw/zinc/20/09/74/557200974.db2.gz RROSPDAVBWWIFA-ZONZVBGPSA-N 1 0 439.603 4.312 40 0 IIABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3cccc(OCCn4ccnc4)c3)CC2)cc1 ZINC000585270396 557214266 /nfs/dbraw/zinc/21/42/66/557214266.db2.gz CHRLZKUZDUBACY-SANMLTNESA-N 1 0 435.568 4.067 40 0 IIABRO Cc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585274264 557218341 /nfs/dbraw/zinc/21/83/41/557218341.db2.gz UWSCTYZVTPNSAY-AREMUKBSSA-N 1 0 435.568 4.067 40 0 IIABRO O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C1 ZINC000585280237 557219802 /nfs/dbraw/zinc/21/98/02/557219802.db2.gz KFYKXGYQEFMWFD-DEOSSOPVSA-N 1 0 441.959 4.021 40 0 IIABRO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000219692703 557262971 /nfs/dbraw/zinc/26/29/71/557262971.db2.gz NSIMCQFNCJLXOP-HNNXBMFYSA-N 1 0 433.346 4.328 40 0 IIABRO O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222600312 557359541 /nfs/dbraw/zinc/35/95/41/557359541.db2.gz HPLDXQJDVYWQIP-QGZVFWFLSA-N 1 0 428.895 4.058 40 0 IIABRO Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)ccc1Cl ZINC000223281499 557455259 /nfs/dbraw/zinc/45/52/59/557455259.db2.gz JHNXCOQVPLCIAO-YADHBBJMSA-N 1 0 440.016 4.368 40 0 IIABRO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1c1ccc2c(c1)OCO2 ZINC000224004195 557542679 /nfs/dbraw/zinc/54/26/79/557542679.db2.gz FXQRKMYAAHNTRC-GOTSBHOMSA-N 1 0 441.516 4.173 40 0 IIABRO COc1cc2c(cc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1)CCCC2 ZINC000224852830 557659097 /nfs/dbraw/zinc/65/90/97/557659097.db2.gz WTVHJDKONUBQNE-UHFFFAOYSA-N 1 0 428.598 4.038 40 0 IIABRO COc1cc(C[NH+]2CCC(NC(=S)Nc3ccc(C)c(C)c3)CC2)cc(OC)c1OC ZINC000225227443 557702684 /nfs/dbraw/zinc/70/26/84/557702684.db2.gz QXKWROAEONFPAC-UHFFFAOYSA-N 1 0 443.613 4.280 40 0 IIABRO COc1ccc(-c2nnc(NC(=O)[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)s2)cc1 ZINC000225728053 557769522 /nfs/dbraw/zinc/76/95/22/557769522.db2.gz YQMLGRHHVDRPRG-KRWDZBQOSA-N 1 0 426.517 4.204 40 0 IIABRO COc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000225903748 557789992 /nfs/dbraw/zinc/78/99/92/557789992.db2.gz GDKHAYXRDCCTHU-LJQANCHMSA-N 1 0 446.975 4.236 40 0 IIABRO Cc1c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)sc2[nH]cnc(=O)c12 ZINC000257214169 568671789 /nfs/dbraw/zinc/67/17/89/568671789.db2.gz CKWMXZARBJQCKO-DFTJKWTHSA-N 1 0 448.592 4.062 40 0 IIABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4cnc(OC)nc4)CC3)CO[C@H]21 ZINC000257216699 568672842 /nfs/dbraw/zinc/67/28/42/568672842.db2.gz CVSUBYPQZCADFE-PZJWPPBQSA-N 1 0 439.556 4.025 40 0 IIABRO Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000257218889 568673732 /nfs/dbraw/zinc/67/37/32/568673732.db2.gz DESNQWKHURUJGU-DEOSSOPVSA-N 1 0 445.567 4.028 40 0 IIABRO COc1cc2c(cc1CN1CCO[C@H](c3ccc(Nc4ncccn4)cn3)C1)CCCC2 ZINC000257226277 568677043 /nfs/dbraw/zinc/67/70/43/568677043.db2.gz FJYVIPZKJHSUDS-DEOSSOPVSA-N 1 0 431.540 4.076 40 0 IIABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)Cn4ccnc4C(C)C)C3)c2)c1 ZINC000257232306 568680136 /nfs/dbraw/zinc/68/01/36/568680136.db2.gz GKHNKFMKQZESDQ-IBGZPJMESA-N 1 0 433.556 4.478 40 0 IIABRO CC1(C(=O)N2CCC[C@]3(C[C@@H](Oc4cccc(F)c4)CO3)C2)CC[NH+](C2CCCC2)CC1 ZINC000257243778 568685620 /nfs/dbraw/zinc/68/56/20/568685620.db2.gz IIMYTKARTJJVRE-BVAGGSTKSA-N 1 0 444.591 4.399 40 0 IIABRO Cc1nc([C@@H]2CC[N@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257251284 568689085 /nfs/dbraw/zinc/68/90/85/568689085.db2.gz JQCLQOBYFYAQEO-OAQYLSRUSA-N 1 0 432.543 4.446 40 0 IIABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nc(C)c(CC(=O)NC3CCCCC3)c(C)n2)C1 ZINC000257279635 568701946 /nfs/dbraw/zinc/70/19/46/568701946.db2.gz OHMLJBUXSLSBDX-NRFANRHFSA-N 1 0 436.600 4.083 40 0 IIABRO COc1ccccc1C[N@@H+]1CC[C@@H](c2nc(C)c(CC(=O)NC3CCCCC3)c(C)n2)C1 ZINC000257279636 568702266 /nfs/dbraw/zinc/70/22/66/568702266.db2.gz OHMLJBUXSLSBDX-OAQYLSRUSA-N 1 0 436.600 4.083 40 0 IIABRO CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000257286015 568704784 /nfs/dbraw/zinc/70/47/84/568704784.db2.gz PJUNYCIWNJZAMX-UHFFFAOYSA-N 1 0 436.625 4.498 40 0 IIABRO Clc1ccc(O[C@H]2COC3(C2)CC[NH+](Cc2ccnc(N4CCCCC4)n2)CC3)cc1 ZINC000257294554 568708718 /nfs/dbraw/zinc/70/87/18/568708718.db2.gz QURFIIFXURXBBG-JOCHJYFZSA-N 1 0 442.991 4.323 40 0 IIABRO Cc1nc2cc([C@H]3CCCN3Cc3ccncc3)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000257295128 568708898 /nfs/dbraw/zinc/70/88/98/568708898.db2.gz QXBNIZSOUXGKFU-XMMPIXPASA-N 1 0 446.599 4.023 40 0 IIABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000257314753 568717611 /nfs/dbraw/zinc/71/76/11/568717611.db2.gz UYHVVUQUZDMBIG-IBGZPJMESA-N 1 0 449.624 4.248 40 0 IIABRO Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3cc(Nc4ncccn4)cc(C)[nH+]3)CC2)cc1 ZINC000257315799 568717907 /nfs/dbraw/zinc/71/79/07/568717907.db2.gz VCUZWDQSJTVQRA-IBGZPJMESA-N 1 0 431.540 4.406 40 0 IIABRO COCC(=O)N1CCC2(C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000257315557 568717996 /nfs/dbraw/zinc/71/79/96/568717996.db2.gz VBXNGXPNAAQKQX-NRFANRHFSA-N 1 0 430.951 4.334 40 0 IIABRO CC(C)CN1C(=O)CCC[C@]12C[N@H+](Cc1ccnc(N3CCCC3)n1)C[C@H]2c1ccccc1 ZINC000257336698 568727390 /nfs/dbraw/zinc/72/73/90/568727390.db2.gz YPQDXNOSIURYJC-RPLLCQBOSA-N 1 0 447.627 4.084 40 0 IIABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)COc1ccc(F)cc1F)[C@H]3Cc1ccccc1 ZINC000257337352 568727693 /nfs/dbraw/zinc/72/76/93/568727693.db2.gz YSLPRWXVNBXIBN-AUNLMLFCSA-N 1 0 426.507 4.086 40 0 IIABRO CC(C)c1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328984936 568808652 /nfs/dbraw/zinc/80/86/52/568808652.db2.gz HQWFGFKENZWZES-SFHVURJKSA-N 1 0 438.494 4.490 40 0 IIABRO COCCn1ccc2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@H]43)ccc21 ZINC000257198981 568921744 /nfs/dbraw/zinc/92/17/44/568921744.db2.gz NXJGYADPPJAYQP-UHCVVMIDSA-N 1 0 433.596 4.323 40 0 IIABRO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000247965068 569206667 /nfs/dbraw/zinc/20/66/67/569206667.db2.gz ZAQIDBMUUHVOHB-JFSTXAPLSA-N 1 0 438.616 4.363 40 0 IIABRO C[C@@H](C[N@@H+]1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000019456131 569226705 /nfs/dbraw/zinc/22/67/05/569226705.db2.gz CWEQXDYGNOMOSU-RBBKRZOGSA-N 1 0 430.600 4.460 40 0 IIABRO COc1ccc(C[N@@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3CCC[C@@H]32)c(OC)c1 ZINC000019552181 569227029 /nfs/dbraw/zinc/22/70/29/569227029.db2.gz PMBSDMZFIWCRCJ-HBMCJLEFSA-N 1 0 427.541 4.498 40 0 IIABRO COc1ccc(-c2nc(C3CC[NH+](Cc4cccc5cccnc54)CC3)[nH]c2C(N)=O)cc1 ZINC000019698821 569230144 /nfs/dbraw/zinc/23/01/44/569230144.db2.gz DYMLGXGZAQETAU-UHFFFAOYSA-N 1 0 441.535 4.112 40 0 IIABRO COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3[N@@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000019713884 569235745 /nfs/dbraw/zinc/23/57/45/569235745.db2.gz RYDDAOXSVSIYEZ-ZSQFBXSQSA-N 1 0 429.564 4.488 40 0 IIABRO CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CC[N@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000019739235 569236581 /nfs/dbraw/zinc/23/65/81/569236581.db2.gz ZQDQQLRQIKMJSW-RUZDIDTESA-N 1 0 425.573 4.300 40 0 IIABRO COc1ccccc1CNC(=O)c1cnc(C2CC[NH+](Cc3cccc(F)c3)CC2)nc1C ZINC000019766564 569239473 /nfs/dbraw/zinc/23/94/73/569239473.db2.gz LWFDBKIYRQOWHG-UHFFFAOYSA-N 1 0 448.542 4.242 40 0 IIABRO COc1cccc(C[NH+]2CCC(Cc3ncncc3C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000019756996 569328575 /nfs/dbraw/zinc/32/85/75/569328575.db2.gz MUZZHVJLSGOPQK-UHFFFAOYSA-N 1 0 434.515 4.331 40 0 IIABRO C[NH+](C)CCCNc1nc(-c2ccccn2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328997280 569582866 /nfs/dbraw/zinc/58/28/66/569582866.db2.gz JNONEBFLHRKYOP-UHFFFAOYSA-N 1 0 432.359 4.648 40 0 IIABRO Cc1cc(Br)ccc1Nc1cc(C(F)(F)F)nc(NCCC[NH+](C)C)n1 ZINC000329010154 569583247 /nfs/dbraw/zinc/58/32/47/569583247.db2.gz LZPZTLRMSMPVPT-UHFFFAOYSA-N 1 0 432.288 4.674 40 0 IIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCCC2)Cc2cn(Cc3nccn3C)c3cccc1c23 ZINC000049171756 291379517 /nfs/dbraw/zinc/37/95/17/291379517.db2.gz CSRQEGMPHPPADK-VXKWHMMOSA-N 1 0 433.600 4.083 40 0 biogenic,in-vitro IIABRO COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N(C)Cc3ccccc3)no2)cc1 ZINC000008623685 291382905 /nfs/dbraw/zinc/38/29/05/291382905.db2.gz OAYPBZAAUUWBPU-VXKWHMMOSA-N 1 0 433.552 4.167 40 0 biogenic,in-vitro IIABRO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNC(=O)Nc3ccccc3)n(C)n2)cc1 ZINC000008635388 291382947 /nfs/dbraw/zinc/38/29/47/291382947.db2.gz QDQASAAOOLBPRH-WPYKKVEZSA-N 1 0 445.567 4.095 40 0 biogenic,in-vitro IIABRO Cn1nc(-c2ccc3ccccc3c2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccco1 ZINC000008635470 291385363 /nfs/dbraw/zinc/38/53/63/291385363.db2.gz BRRWEYHHRDEBFM-WWNPGLIZSA-N 1 0 440.547 4.441 40 0 biogenic,in-vitro IIABRO COc1cc(CC[NH+]2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc(OC)c1OC ZINC000005335066 132275295 /nfs/dbraw/zinc/27/52/95/132275295.db2.gz VZXVEIQXHPWHTJ-UHFFFAOYSA-N 1 0 425.356 4.384 40 0 IIABRO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OCc1ccc(F)cc1 ZINC000022074136 520707050 /nfs/dbraw/zinc/70/70/50/520707050.db2.gz ACPNWAFIFABLJP-UHFFFAOYSA-N 1 0 426.326 4.426 40 0 IIABRO CCOC(=O)c1cccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC000035805789 521545781 /nfs/dbraw/zinc/54/57/81/521545781.db2.gz DBISAYQKMULERW-KKSHJYNMSA-N 1 0 439.625 4.455 40 0 IIABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000032125319 521699170 /nfs/dbraw/zinc/69/91/70/521699170.db2.gz AMXYRDJVJGGSGQ-UHFFFAOYSA-N 1 0 437.396 4.262 40 0 IIABRO CN(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN(C)c2ccccc2)on1 ZINC000012482587 523331964 /nfs/dbraw/zinc/33/19/64/523331964.db2.gz PUQOGVBNERAKGN-GOTSBHOMSA-N 1 0 446.595 4.128 40 0 biogenic,in-vitro IIABRO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccc(NC(C)=O)cc5)c43)C2)cc1 ZINC000020503518 524042857 /nfs/dbraw/zinc/04/28/57/524042857.db2.gz AURVBRUHCALTML-RBBKRZOGSA-N 1 0 443.547 4.102 40 0 biogenic,in-vitro IIABRO COc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)c(OC)c1OC ZINC000012126491 524043521 /nfs/dbraw/zinc/04/35/21/524043521.db2.gz GMQMKWHYVSBZEA-UHFFFAOYSA-N 1 0 427.541 4.028 40 0 IIABRO O[C@H](COCCOC12CC3CC(CC(C3)C1)C2)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000041689904 526284222 /nfs/dbraw/zinc/28/42/22/526284222.db2.gz DCNIKVTYCHLSGM-UXUBKHOLSA-N 1 0 427.629 4.304 40 0 IIABRO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1)N1CCCC1 ZINC000072348791 526751070 /nfs/dbraw/zinc/75/10/70/526751070.db2.gz AKPIQCWATLJANA-LJQANCHMSA-N 1 0 431.502 4.493 40 0 IIABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)c2ccccc21 ZINC000035425794 527201493 /nfs/dbraw/zinc/20/14/93/527201493.db2.gz GLULTRKAVJWAAH-NRFANRHFSA-N 1 0 425.496 4.146 40 0 biogenic,in-vitro IIABRO O=C(Cc1ccccc1)N[C@@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl ZINC000002129613 555746243 /nfs/dbraw/zinc/74/62/43/555746243.db2.gz VXOCOWBDBQLXEI-LMMKCTJWSA-N 1 0 433.807 4.323 40 0 IIABRO CC[NH+](CC)C1CCC([C@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)CC1 ZINC000005807568 556066404 /nfs/dbraw/zinc/06/64/04/556066404.db2.gz OHPQBXGMPNAMEP-NFEBWTKSSA-N 1 0 430.589 4.086 40 0 IIABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1OC ZINC000039768678 556437329 /nfs/dbraw/zinc/43/73/29/556437329.db2.gz VEPPMWRRPFLHMJ-UHFFFAOYSA-N 1 0 428.548 4.194 40 0 IIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2)cc1 ZINC000039758980 556441854 /nfs/dbraw/zinc/44/18/54/556441854.db2.gz NMMXMWAUKKTBRL-UHFFFAOYSA-N 1 0 431.536 4.369 40 0 IIABRO CCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)[NH+]2CCCC2)cc1 ZINC000028296078 556451476 /nfs/dbraw/zinc/45/14/76/556451476.db2.gz DKNUZRLUIYRGRR-HSZRJFAPSA-N 1 0 435.524 4.316 40 0 IIABRO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)[C@H]2C1 ZINC000013265839 556501423 /nfs/dbraw/zinc/50/14/23/556501423.db2.gz PXNZOYDODAWPJM-QUCCMNQESA-N 1 0 446.469 4.213 40 0 IIABRO O=C(NCc1cccnc1)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030942140 556516298 /nfs/dbraw/zinc/51/62/98/556516298.db2.gz XTSOEJJPQUAFQW-NRFANRHFSA-N 1 0 446.526 4.001 40 0 IIABRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2C)cc1 ZINC000013669124 556549747 /nfs/dbraw/zinc/54/97/47/556549747.db2.gz ASZUOBOADAKRMI-UHFFFAOYSA-N 1 0 443.613 4.100 40 0 IIABRO COc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000044851693 556670656 /nfs/dbraw/zinc/67/06/56/556670656.db2.gz FLNGXBGKBBGZHZ-HXUWFJFHSA-N 1 0 430.976 4.318 40 0 IIABRO COc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c(OC)c1OC ZINC000044882882 556674466 /nfs/dbraw/zinc/67/44/66/556674466.db2.gz RBXSQLPZGKSMDC-UHFFFAOYSA-N 1 0 446.547 4.201 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1OC ZINC000019081939 556696816 /nfs/dbraw/zinc/69/68/16/556696816.db2.gz ZJQDQLLDDBJSPI-PGRDOPGGSA-N 1 0 425.573 4.214 40 0 IIABRO Cc1c([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)c2ccccc2n1C ZINC000019125125 556702739 /nfs/dbraw/zinc/70/27/39/556702739.db2.gz SYZLCWWVGVIYLK-ZEQRLZLVSA-N 1 0 434.580 4.488 40 0 IIABRO CO[C@@]1(COc2ccccc2F)CCC[N@H+](CC(=O)NC(C)(C)Cc2ccccc2)CC1 ZINC000257324552 556704903 /nfs/dbraw/zinc/70/49/03/556704903.db2.gz WPFNMLLVLPJYEA-SANMLTNESA-N 1 0 442.575 4.213 40 0 IIABRO Cc1cnn(CCCOc2ccc(C[N@@H+]3CCC[C@@](O)(COc4ccccc4)C3)cc2)c1 ZINC000257278752 556714570 /nfs/dbraw/zinc/71/45/70/556714570.db2.gz ODMZRXGOMBKWKQ-SANMLTNESA-N 1 0 435.568 4.067 40 0 IIABRO COc1ccc(F)cc1-c1cccc(CC2(C(=O)N[C@@H]3CCC[N@H+](C)C3)CCOCC2)c1 ZINC000257283237 556715241 /nfs/dbraw/zinc/71/52/41/556715241.db2.gz OXKNRCGXEMQTHQ-JOCHJYFZSA-N 1 0 440.559 4.051 40 0 IIABRO Fc1cccc(COc2ccccc2C[N@@H+]2CCOC[C@H](Cc3ccc4nccn4n3)C2)c1 ZINC000257292476 556716319 /nfs/dbraw/zinc/71/63/19/556716319.db2.gz QLQXRPTVYVKXFU-OAQYLSRUSA-N 1 0 446.526 4.139 40 0 IIABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1C ZINC000000880623 556732289 /nfs/dbraw/zinc/73/22/89/556732289.db2.gz RGBUTTSOLKXSGU-UHFFFAOYSA-N 1 0 426.561 4.045 40 0 IIABRO O=C(c1ccccc1F)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019347559 556743029 /nfs/dbraw/zinc/74/30/29/556743029.db2.gz OYBZBJUQHZMCAM-JOCHJYFZSA-N 1 0 438.547 4.380 40 0 IIABRO O=C(c1ccccc1F)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019347557 556743162 /nfs/dbraw/zinc/74/31/62/556743162.db2.gz OYBZBJUQHZMCAM-QFIPXVFZSA-N 1 0 438.547 4.380 40 0 IIABRO Cc1cc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3C(C)(C)C)cc2c1 ZINC000000926695 556753476 /nfs/dbraw/zinc/75/34/76/556753476.db2.gz HIIYIAGVIIRTDY-UHFFFAOYSA-N 1 0 444.583 4.131 40 0 IIABRO O=C(N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2)c1ccccn1)C1CCC1 ZINC000019400897 556753537 /nfs/dbraw/zinc/75/35/37/556753537.db2.gz VQJVJDVXNVGRDF-GMAHTHKFSA-N 1 0 435.568 4.255 40 0 IIABRO CCC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000019499318 556771091 /nfs/dbraw/zinc/77/10/91/556771091.db2.gz NOVXMTZAJTXZRK-XZOQPEGZSA-N 1 0 438.568 4.036 40 0 IIABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000001327624 556773176 /nfs/dbraw/zinc/77/31/76/556773176.db2.gz KPGOBFZQVJPSOP-UHFFFAOYSA-N 1 0 442.947 4.176 40 0 IIABRO CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019503563 556775297 /nfs/dbraw/zinc/77/52/97/556775297.db2.gz KDIIEAGAOVDXHO-MHZLTWQESA-N 1 0 428.580 4.495 40 0 IIABRO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000019522025 556778970 /nfs/dbraw/zinc/77/89/70/556778970.db2.gz GXLXWFYYHWIXAO-CQSZACIVSA-N 1 0 434.466 4.040 40 0 IIABRO CC[NH+](CC)CC(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3nc(C(C)(C)C)cc3N2)CC1 ZINC000019526316 556784253 /nfs/dbraw/zinc/78/42/53/556784253.db2.gz HBWQYGDKFSCVBN-FUHWJXTLSA-N 1 0 443.558 4.049 40 0 IIABRO CC[NH+](CC)CCNc1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(C)cc1)C2 ZINC000019526410 556784523 /nfs/dbraw/zinc/78/45/23/556784523.db2.gz CLVVWRJPHFYFBZ-UHFFFAOYSA-N 1 0 430.600 4.159 40 0 IIABRO CC[N@H+](Cc1c2nccnc2[nH]c1C1CCN(C(=O)C2CCC2)CC1)Cc1ccccc1 ZINC000019526651 556785173 /nfs/dbraw/zinc/78/51/73/556785173.db2.gz UKGHLAJGTHHSMW-UHFFFAOYSA-N 1 0 431.584 4.486 40 0 IIABRO CCN1CC[N@H+](Cc2cccc(OC)c2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527711 556787013 /nfs/dbraw/zinc/78/70/13/556787013.db2.gz MXHNWBUDCZTQRA-DEOSSOPVSA-N 1 0 429.564 4.280 40 0 IIABRO CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCC[N@H+](Cc2cnn(C)c2C)C1 ZINC000019528761 556789111 /nfs/dbraw/zinc/78/91/11/556789111.db2.gz ZYVZWKWNLXRASP-VWLOTQADSA-N 1 0 436.625 4.418 40 0 IIABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000019532675 556792796 /nfs/dbraw/zinc/79/27/96/556792796.db2.gz KVYPZZFLYAOKGP-YADHBBJMSA-N 1 0 431.960 4.431 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCC[C@](Cc3ccccc3-c3cncnc3)(C(=O)NC)C2)cc1 ZINC000019533227 556793409 /nfs/dbraw/zinc/79/34/09/556793409.db2.gz XMTGHBCDYPKGGW-HHHXNRCGSA-N 1 0 444.579 4.113 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001378306 556795222 /nfs/dbraw/zinc/79/52/22/556795222.db2.gz FCLWJWQHEJIHNM-QFIPXVFZSA-N 1 0 436.531 4.494 40 0 IIABRO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)cc1 ZINC000019555485 556798314 /nfs/dbraw/zinc/79/83/14/556798314.db2.gz XFVSQQMHWDZBBN-HJOGWXRNSA-N 1 0 433.577 4.282 40 0 IIABRO COc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2 ZINC000019563109 556804324 /nfs/dbraw/zinc/80/43/24/556804324.db2.gz VYDPHHASBJCMCF-FCHUYYIVSA-N 1 0 442.943 4.214 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3c(C)[nH]c4ccc(F)cc43)CC1)C[C@H]2O ZINC000019581421 556819341 /nfs/dbraw/zinc/81/93/41/556819341.db2.gz QHSHNXYKSRBEAX-FGZHOGPDSA-N 1 0 440.515 4.008 40 0 IIABRO CC[C@H](C)NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCC[N@@H+]1CC ZINC000004217040 556821316 /nfs/dbraw/zinc/82/13/16/556821316.db2.gz AELTZOPKAFPBLU-UWJYYQICSA-N 1 0 428.646 4.104 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)Nc1ccccc1 ZINC000006078391 556828514 /nfs/dbraw/zinc/82/85/14/556828514.db2.gz IOJNQNLHWZSFTF-UHFFFAOYSA-N 1 0 438.597 4.078 40 0 IIABRO COc1cc(NC(=O)c2cc(C3CC[NH+](Cc4cccc(F)c4)CC3)no2)cc(OC)c1 ZINC000019595172 556830680 /nfs/dbraw/zinc/83/06/80/556830680.db2.gz MIAJWKLSJXMPIY-UHFFFAOYSA-N 1 0 439.487 4.463 40 0 IIABRO Cc1cc(C)c2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000006300303 556831900 /nfs/dbraw/zinc/83/19/00/556831900.db2.gz QSBRLDRZOUQHIR-UHFFFAOYSA-N 1 0 440.588 4.435 40 0 IIABRO CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)CCC[NH+]4CCCCCC4)C3)ccc12 ZINC000019742265 556886115 /nfs/dbraw/zinc/88/61/15/556886115.db2.gz PJTBEHIASXQDGL-LJQANCHMSA-N 1 0 426.609 4.140 40 0 IIABRO Cc1nc(CC2CC[NH+](Cc3cccnc3N(C)C)CC2)cc(NCc2ccccc2F)n1 ZINC000019758950 556902610 /nfs/dbraw/zinc/90/26/10/556902610.db2.gz UKQUJLCSJSCXKF-UHFFFAOYSA-N 1 0 448.590 4.452 40 0 IIABRO C=C1[NH+]=C(SCc2cc(OC)ccc2OC)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408988344 556910213 /nfs/dbraw/zinc/91/02/13/556910213.db2.gz HRLLERFZGDONON-OAQYLSRUSA-N 1 0 426.538 4.475 40 0 IIABRO COc1ccc(C)cc1C[NH+]1CCC(c2nnc([C@@H]3CCCCN3C(=O)C(C)C)o2)CC1 ZINC000072344929 556916053 /nfs/dbraw/zinc/91/60/53/556916053.db2.gz OSDYGTLMQAKSER-NRFANRHFSA-N 1 0 440.588 4.476 40 0 IIABRO COc1ccc(CN2C(=O)Cc3c2nc([C@H]2CCC[N@@H+](C4CCCCC4)C2)nc3C)cc1 ZINC000072352826 556925234 /nfs/dbraw/zinc/92/52/34/556925234.db2.gz UZVUPAXXMSDLQX-FQEVSTJZSA-N 1 0 434.584 4.395 40 0 IIABRO Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 ZINC000409061074 556936887 /nfs/dbraw/zinc/93/68/87/556936887.db2.gz UUWIDWSTPXKYMO-ATQAMDNPSA-O 1 0 444.530 4.274 40 0 IIABRO Fc1ccc(OCCc2cc([C@@H]3CC[N@H+](CCOc4ccccc4F)C3)[nH]n2)cc1F ZINC000072371704 556940485 /nfs/dbraw/zinc/94/04/85/556940485.db2.gz ZIRJIOCAZKARRA-MRXNPFEDSA-N 1 0 431.458 4.317 40 0 IIABRO Cc1nc(CC(=O)N2CCC[C@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)[nH+]3)C2)cs1 ZINC000072374970 556949804 /nfs/dbraw/zinc/94/98/04/556949804.db2.gz DURSSWHOMVQAJS-SFHVURJKSA-N 1 0 436.585 4.254 40 0 IIABRO CC(=O)NC1(CC(=O)N2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)CCCCC1 ZINC000072375063 556950361 /nfs/dbraw/zinc/95/03/61/556950361.db2.gz PUPBAQMLIGYBOD-OAQYLSRUSA-N 1 0 449.599 4.464 40 0 IIABRO Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(C(=O)CCN(C)c3cccc(F)c3)C2)[nH+]1 ZINC000072375066 556950456 /nfs/dbraw/zinc/95/04/56/556950456.db2.gz YCOPXUOOACTPAC-IBGZPJMESA-N 1 0 448.546 4.295 40 0 IIABRO O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12)c1ccccc1 ZINC000585110041 557042598 /nfs/dbraw/zinc/04/25/98/557042598.db2.gz ARCIQXTWSFRTPU-DNQXCXABSA-N 1 0 425.532 4.110 40 0 IIABRO COc1ccccc1-c1ccc(CC2(C(=O)N3CCC([NH+](C)C)CC3)CCOCC2)cc1 ZINC000585170109 557133280 /nfs/dbraw/zinc/13/32/80/557133280.db2.gz SQLNJCWMVHBBOK-UHFFFAOYSA-N 1 0 436.596 4.254 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C(=S)NC1CCCCC1 ZINC000006193291 557148431 /nfs/dbraw/zinc/14/84/31/557148431.db2.gz PNEAHEJCEIVBSQ-UHFFFAOYSA-N 1 0 442.673 4.496 40 0 IIABRO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(Cl)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000585261666 557195367 /nfs/dbraw/zinc/19/53/67/557195367.db2.gz YQCOONUVOSPIAF-CZYKHXBRSA-N 1 0 446.975 4.246 40 0 IIABRO CCc1nccn1CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3ccc(C(C)C)cc3)C2)cc1 ZINC000585268839 557210204 /nfs/dbraw/zinc/21/02/04/557210204.db2.gz RQEQHHDZQXXLAL-UIOOFZCWSA-N 1 0 449.595 4.272 40 0 IIABRO Cc1ccc(OCC2(O)CC[NH+](Cc3ccc(OCC4(O)CCCCC4)cc3)CC2)cc1 ZINC000585273009 557215461 /nfs/dbraw/zinc/21/54/61/557215461.db2.gz OLBLNCGOGMNOMN-UHFFFAOYSA-N 1 0 439.596 4.475 40 0 IIABRO CCc1nccn1CCCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585273530 557215828 /nfs/dbraw/zinc/21/58/28/557215828.db2.gz PDDQNBKOFNHVDZ-MHZLTWQESA-N 1 0 449.595 4.321 40 0 IIABRO Cc1cc(OC[C@]2(CC(=O)N(CCO)Cc3ccccc3)CCC[NH2+]C2)cc(C)c1Cl ZINC000585273681 557217548 /nfs/dbraw/zinc/21/75/48/557217548.db2.gz RHAFGPWPBVUBRX-VWLOTQADSA-N 1 0 445.003 4.117 40 0 IIABRO Cc1cc(C)cc(OC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000026781398 557248445 /nfs/dbraw/zinc/24/84/45/557248445.db2.gz TWCLIQFMULLUEI-AREMUKBSSA-N 1 0 430.592 4.450 40 0 IIABRO CC[NH+](CC)CCCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 ZINC000057743694 557258262 /nfs/dbraw/zinc/25/82/62/557258262.db2.gz ZAVDJQJLRYKXOV-UHFFFAOYSA-N 1 0 448.590 4.380 40 0 IIABRO CC(C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(Br)c1 ZINC000111894425 557368688 /nfs/dbraw/zinc/36/86/88/557368688.db2.gz MKQXMQZGQAXWIB-UHFFFAOYSA-N 1 0 446.389 4.342 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000072344799 557377065 /nfs/dbraw/zinc/37/70/65/557377065.db2.gz PZRBWIMCHHQYLV-QFIPXVFZSA-N 1 0 432.568 4.460 40 0 IIABRO NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000113959050 557381892 /nfs/dbraw/zinc/38/18/92/557381892.db2.gz LGUNXTQRPQJERD-UHFFFAOYSA-N 1 0 427.548 4.493 40 0 IIABRO COc1cc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC ZINC000013992647 557400785 /nfs/dbraw/zinc/40/07/85/557400785.db2.gz RFXZXIHBHCVAMY-UHFFFAOYSA-N 1 0 427.589 4.419 40 0 IIABRO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000014671953 557449266 /nfs/dbraw/zinc/44/92/66/557449266.db2.gz XTHGZECHEVHMIA-GOSISDBHSA-N 1 0 435.833 4.304 40 0 IIABRO COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C(C)(C)C)c1 ZINC000019901756 557510035 /nfs/dbraw/zinc/51/00/35/557510035.db2.gz SZKSFMSOBOVNGD-FQEVSTJZSA-N 1 0 432.992 4.208 40 0 IIABRO Nc1cc(C(=O)NC2CC2)ccc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225440595 557723042 /nfs/dbraw/zinc/72/30/42/557723042.db2.gz MNSJWGHGFLROGO-UHFFFAOYSA-N 1 0 426.564 4.073 40 0 IIABRO Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C(=O)NC2CC2)c1 ZINC000225488016 557728877 /nfs/dbraw/zinc/72/88/77/557728877.db2.gz UCSBYDMHDVHYNF-UHFFFAOYSA-N 1 0 426.564 4.073 40 0 IIABRO COc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCC4)cc3)CCOCC2)cc1 ZINC000225584456 557747180 /nfs/dbraw/zinc/74/71/80/557747180.db2.gz PZPMZJUTPKNXHY-UHFFFAOYSA-N 1 0 438.568 4.247 40 0 IIABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cn1 ZINC000225934496 557794164 /nfs/dbraw/zinc/79/41/64/557794164.db2.gz GOXSFVTWUITTBY-UHFFFAOYSA-N 1 0 435.955 4.351 40 0 IIABRO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)C3)cc1 ZINC000096269398 560054255 /nfs/dbraw/zinc/05/42/55/560054255.db2.gz XLYIREBPEAZIRR-IBGZPJMESA-N 1 0 433.430 4.146 40 0 biogenic,in-vitro IIABRO COCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585270523 568616890 /nfs/dbraw/zinc/61/68/90/568616890.db2.gz LOWYWAWYXIQXJM-SANMLTNESA-N 1 0 443.584 4.133 40 0 IIABRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000257205612 568667632 /nfs/dbraw/zinc/66/76/32/568667632.db2.gz AZVQTBRKNJZVPO-QGZVFWFLSA-N 1 0 444.532 4.446 40 0 IIABRO Cc1noc(C)c1S(=O)(=O)N1CCC(c2cc(Nc3cccc(C)n3)cc(C)[nH+]2)CC1 ZINC000257208629 568669190 /nfs/dbraw/zinc/66/91/90/568669190.db2.gz BMXFXPNYWRBCLT-UHFFFAOYSA-N 1 0 441.557 4.010 40 0 IIABRO CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2cccnc2)CC1 ZINC000257231226 568679315 /nfs/dbraw/zinc/67/93/15/568679315.db2.gz GFVWHUWYKGQJMO-UHFFFAOYSA-N 1 0 428.580 4.493 40 0 IIABRO COc1cccc(CNC(=O)Cc2c(C)nc([C@@H]3CC[N@H+](C[C@@H]4CC=CCC4)C3)nc2C)c1 ZINC000257233306 568680776 /nfs/dbraw/zinc/68/07/76/568680776.db2.gz GOROOYLGGDRCNH-FYYLOGMGSA-N 1 0 448.611 4.107 40 0 IIABRO COc1c(C)cccc1C(=O)N1CCO[C@H](c2cc(Nc3cccc(C)n3)cc(C)n2)C1 ZINC000257242900 568684970 /nfs/dbraw/zinc/68/49/70/568684970.db2.gz IEQUANACONZSRS-QFIPXVFZSA-N 1 0 432.524 4.368 40 0 IIABRO COc1cc2c(cc1C[NH+]1CCC(c3cncc(Nc4cccc(C)n4)n3)CC1)OCCO2 ZINC000257247169 568687334 /nfs/dbraw/zinc/68/73/34/568687334.db2.gz IXTSFWOSXAWYPO-UHFFFAOYSA-N 1 0 447.539 4.083 40 0 IIABRO Cc1cc(N(C)C)nc([C@@]2(C)CCC[N@H+](Cc3ccccc3OCc3cccnc3)C2)n1 ZINC000257269776 568697355 /nfs/dbraw/zinc/69/73/55/568697355.db2.gz MRIMSSNMSVOZTL-SANMLTNESA-N 1 0 431.584 4.379 40 0 IIABRO Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)CCN(C)c3ccccc3F)CC2)[nH+]1 ZINC000257271022 568698255 /nfs/dbraw/zinc/69/82/55/568698255.db2.gz MWNGDJGNVOQQCY-UHFFFAOYSA-N 1 0 448.546 4.295 40 0 IIABRO CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4OCCC[NH+](C)C)OCC[C@@]31C2 ZINC000257276368 568700433 /nfs/dbraw/zinc/70/04/33/568700433.db2.gz NTJVKOUYYOMJLN-MFLQQMQESA-N 1 0 428.617 4.426 40 0 IIABRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4ccccc4OCC[NH+]4CCCC4)C3)OC2=O)cc1 ZINC000257277777 568701066 /nfs/dbraw/zinc/70/10/66/568701066.db2.gz NZIAPIXHDVRQJY-AREMUKBSSA-N 1 0 435.568 4.071 40 0 IIABRO Cc1cc(Nc2nccs2)cc([C@@H]2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)[nH+]1 ZINC000257287768 568705640 /nfs/dbraw/zinc/70/56/40/568705640.db2.gz PRKJFBNTRPWCNM-MRXNPFEDSA-N 1 0 440.573 4.435 40 0 IIABRO Cc1nc(NC(=O)CN2CCC(c3cc(Nc4ccccn4)cc(C)[nH+]3)CC2)sc1C ZINC000257295510 568709131 /nfs/dbraw/zinc/70/91/31/568709131.db2.gz QYPBJHLJOVPQKD-UHFFFAOYSA-N 1 0 436.585 4.420 40 0 IIABRO CCc1nnsc1C(=O)N1CCC(c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)CC1 ZINC000257301029 568711570 /nfs/dbraw/zinc/71/15/70/568711570.db2.gz RWQAMRBSTAOYIZ-UHFFFAOYSA-N 1 0 426.521 4.101 40 0 IIABRO CCOc1cc([C@@H]2OCC[C@@]3(NC(C)=O)[C@H]2C[C@@H]2C[C@H]3[C@@H](C)[NH2+]C2(C)C)c(C)cc1OC ZINC000257310555 568715646 /nfs/dbraw/zinc/71/56/46/568715646.db2.gz UFOYQCOKWUEEKJ-FRSOVUHESA-N 1 0 444.616 4.151 40 0 IIABRO Cc1cccc2nc(C(=O)N3[C@H](Cc4ccccc4)[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[N@@H+]4C)cn21 ZINC000257312582 568716574 /nfs/dbraw/zinc/71/65/74/568716574.db2.gz UOPUZYFNWDABJP-PFGYYQCGSA-N 1 0 428.580 4.341 40 0 IIABRO Cc1ccc(O[C@H](C)C(=O)N2CCC(c3cc(Nc4ncccn4)cc(C)[nH+]3)CC2)cc1 ZINC000257315800 568718100 /nfs/dbraw/zinc/71/81/00/568718100.db2.gz VCUZWDQSJTVQRA-LJQANCHMSA-N 1 0 431.540 4.406 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257330564 568724654 /nfs/dbraw/zinc/72/46/54/568724654.db2.gz XOYGGPSZWBEYBW-IBGZPJMESA-N 1 0 433.531 4.188 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)c(CC(=O)N4CCCCC4)c(C)n3)C2)c1 ZINC000257330691 568724698 /nfs/dbraw/zinc/72/46/98/568724698.db2.gz XPMURHJKHFMIBP-QFIPXVFZSA-N 1 0 436.600 4.037 40 0 IIABRO COc1ccc2c(C[NH+]3CCC(c4cccc(Nc5ncccn5)n4)CC3)cn(C)c2c1 ZINC000257331884 568725270 /nfs/dbraw/zinc/72/52/70/568725270.db2.gz XURZHDCTZYROJY-UHFFFAOYSA-N 1 0 428.540 4.495 40 0 IIABRO COc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CCN(Cc4ccccn4)C(=O)C[C@@H]23)cc1 ZINC000306124297 568763194 /nfs/dbraw/zinc/76/31/94/568763194.db2.gz BMEVGTMXBBBJPZ-IXCJQBJRSA-N 1 0 441.575 4.425 40 0 IIABRO CC(C)n1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306128230 568765148 /nfs/dbraw/zinc/76/51/48/568765148.db2.gz GUUHEQFOZGZRLA-QFIPXVFZSA-N 1 0 429.572 4.498 40 0 IIABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2ccco2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306128657 568765414 /nfs/dbraw/zinc/76/54/14/568765414.db2.gz HHPSZKNTAUQUMF-JYFHCDHNSA-N 1 0 432.568 4.465 40 0 IIABRO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@H+](Cc4cccnc4OC)C3)nn2c1 ZINC000306134377 568768375 /nfs/dbraw/zinc/76/83/75/568768375.db2.gz NLJULFOSRDFPQO-SFHVURJKSA-N 1 0 447.514 4.327 40 0 IIABRO COc1ccc(NC(=O)c2cnn3c2CN(CC2CCCCC2)Cc2cccnc2-3)cc1 ZINC000306141569 568772112 /nfs/dbraw/zinc/77/21/12/568772112.db2.gz WASNHUFZYACPTC-UHFFFAOYSA-N 1 0 431.540 4.424 40 0 IIABRO Cc1cccc(C[NH+]2CCC3(CC2)c2ccccc2N(Cc2ccccc2)S3(=O)=O)n1 ZINC000306141967 568772449 /nfs/dbraw/zinc/77/24/49/568772449.db2.gz WLKFGKIKPCCEJM-UHFFFAOYSA-N 1 0 433.577 4.231 40 0 IIABRO Cc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCC[NH+](C)C)n1 ZINC000329066141 568811077 /nfs/dbraw/zinc/81/10/77/568811077.db2.gz XXKBELHYPVNZLC-UHFFFAOYSA-N 1 0 445.489 4.302 40 0 IIABRO O=C(COc1ccc(Cl)cc1)N[C@H]1CC[C@H]([NH2+]CCOc2ccc(Cl)cc2)CC1 ZINC000584578844 568897367 /nfs/dbraw/zinc/89/73/67/568897367.db2.gz PWJNZRDAMMKPFH-WGSAOQKQSA-N 1 0 437.367 4.468 40 0 IIABRO O=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198484 568921576 /nfs/dbraw/zinc/92/15/76/568921576.db2.gz AGZMFWWASXUXNB-XIUDZHQXSA-N 1 0 444.579 4.047 40 0 IIABRO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000247965072 569206686 /nfs/dbraw/zinc/20/66/86/569206686.db2.gz ZAQIDBMUUHVOHB-VNHKHXMHSA-N 1 0 438.616 4.363 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCCN(Cc3cc(F)ccc3F)C2)[N@H+](C)C1 ZINC000248152703 569207301 /nfs/dbraw/zinc/20/73/01/569207301.db2.gz UVHMCUBZXAOWPH-GEQKSPFYSA-N 1 0 443.538 4.144 40 0 IIABRO COc1ccc(C[N@@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3CCC[C@H]32)c(OC)c1 ZINC000248140434 569207392 /nfs/dbraw/zinc/20/73/92/569207392.db2.gz PMBSDMZFIWCRCJ-PWRODBHTSA-N 1 0 427.541 4.498 40 0 IIABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@H+](Cc3cccn3C(C)C)C1)O2 ZINC000019454986 569226617 /nfs/dbraw/zinc/22/66/17/569226617.db2.gz MMADUJRTUVNODE-NBGIEHNGSA-N 1 0 425.573 4.099 40 0 IIABRO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000019702212 569231832 /nfs/dbraw/zinc/23/18/32/569231832.db2.gz GNSKIVMUFUBSNR-GOSISDBHSA-N 1 0 446.576 4.210 40 0 IIABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019702624 569232225 /nfs/dbraw/zinc/23/22/25/569232225.db2.gz WKPLSTNKBIDUDK-QGZVFWFLSA-N 1 0 449.555 4.312 40 0 IIABRO Cc1nc2ccccn2c1C[NH+]1CCC(c2ncc(C(=O)Nc3ccccc3)c(C)n2)CC1 ZINC000019764252 569238374 /nfs/dbraw/zinc/23/83/74/569238374.db2.gz OFRYRBKGOVQRTC-UHFFFAOYSA-N 1 0 440.551 4.373 40 0 IIABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000020241756 569241135 /nfs/dbraw/zinc/24/11/35/569241135.db2.gz ADYPACGYPXAGSM-UHFFFAOYSA-N 1 0 443.547 4.438 40 0 IIABRO COc1ccc(-c2nc(C3CC[NH+](C)CC3)[nH]c2C(=O)N[C@H](C)c2ccccc2OC)cc1 ZINC000019698721 569327065 /nfs/dbraw/zinc/32/70/65/569327065.db2.gz ITFHBERKQNGIPP-QGZVFWFLSA-N 1 0 448.567 4.394 40 0 IIABRO COc1ccc(-c2nc(C3CC[NH+](C)CC3)[nH]c2C(=O)N[C@@H](C)c2ccccc2OC)cc1 ZINC000019698720 569327093 /nfs/dbraw/zinc/32/70/93/569327093.db2.gz ITFHBERKQNGIPP-KRWDZBQOSA-N 1 0 448.567 4.394 40 0 IIABRO COc1ccc(C[N@H+]2[C@@H](c3ccccc3)C[C@@H]3NC(=O)CCC[C@H]32)cc1Cn1ccnc1C ZINC000019713917 569327801 /nfs/dbraw/zinc/32/78/01/569327801.db2.gz DVZVQPXPXWUZKE-ISJGIBHGSA-N 1 0 444.579 4.233 40 0 IIABRO COc1ccc([C@H]2C[C@@H]([NH2+]Cc3cccc(C)c3OC)CC[C@]23CCC(=O)N3)cc1OC ZINC000019740344 569328204 /nfs/dbraw/zinc/32/82/04/569328204.db2.gz RHAZTLXCYZZZHI-UZINWLIJSA-N 1 0 438.568 4.096 40 0 IIABRO COc1ccc([C@H]2C[C@@H]([NH2+]Cc3cn(C)c4ccccc34)CC[C@]23CCC(=O)N3)cc1OC ZINC000019740342 569328233 /nfs/dbraw/zinc/32/82/33/569328233.db2.gz RSWSRFOJRBNSNH-ZIHSNCGMSA-N 1 0 447.579 4.270 40 0 IIABRO CC(=O)c1ccc(NC(=O)OC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000012602762 291378511 /nfs/dbraw/zinc/37/85/11/291378511.db2.gz HMMJBBYGNJQJTF-TYPHKJRUSA-N 1 0 448.523 4.309 40 0 biogenic,in-vitro IIABRO CC1(C)[C@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000067890176 291379771 /nfs/dbraw/zinc/37/97/71/291379771.db2.gz LHXUDIRFXPJKTN-RLWLMLJZSA-N 1 0 445.611 4.139 40 0 biogenic,in-vitro IIABRO CC1(C)[C@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)C[C@@H]1[NH2+]Cc1ccncc1 ZINC000067890180 291379794 /nfs/dbraw/zinc/37/97/94/291379794.db2.gz BRONKQZFABCKFN-GJZUVCINSA-N 1 0 445.611 4.139 40 0 biogenic,in-vitro IIABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223217597 193953119 /nfs/dbraw/zinc/95/31/19/193953119.db2.gz VRGZSOXOLKYZSR-VXKWHMMOSA-N 1 0 440.016 4.450 40 0 IIABRO CN(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(COc2ccccc2)on1 ZINC000015673555 523332352 /nfs/dbraw/zinc/33/23/52/523332352.db2.gz OIOQKNXZSFAHLE-VXKWHMMOSA-N 1 0 433.552 4.071 40 0 biogenic,in-vitro IIABRO COc1ccc(C[NH+]2CCC(O)(Cn3cccc4cc(C(F)(F)F)nc3-4)CC2)c(OC)c1 ZINC000012158762 524024769 /nfs/dbraw/zinc/02/47/69/524024769.db2.gz BVBJTMDBDPSZGO-UHFFFAOYSA-N 1 0 449.473 4.051 40 0 IIABRO Cc1cc(C)cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC[NH+](C)C)n2)c1 ZINC000328955914 524414816 /nfs/dbraw/zinc/41/48/16/524414816.db2.gz ADVMEUHVNVLXGQ-UHFFFAOYSA-N 1 0 445.489 4.220 40 0 IIABRO OCC[NH+]1CCN(CCCN2c3ccsc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022463185 527552676 /nfs/dbraw/zinc/55/26/76/527552676.db2.gz HDPDWVAJUZMKRW-UHFFFAOYSA-N 1 0 443.560 4.370 40 0 in-man IIABRO COc1ccc2cc(CN(CC[NH+](C)C)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000009704229 555603706 /nfs/dbraw/zinc/60/37/06/555603706.db2.gz JCOZJXWQHHYUOA-UHFFFAOYSA-N 1 0 444.988 4.363 40 0 IIABRO COc1ccc([C@@H]2Sc3ccccc3N(CC[N@H+](C)C(C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000003802090 555946634 /nfs/dbraw/zinc/94/66/34/555946634.db2.gz VVZILLNNYUUOIY-PKTZIBPZSA-N 1 0 442.581 4.147 40 0 in-man IIABRO Cc1ccc(Cl)cc1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000039772061 556437294 /nfs/dbraw/zinc/43/72/94/556437294.db2.gz CGLGKHQEPWZWBW-UHFFFAOYSA-N 1 0 429.967 4.348 40 0 IIABRO O[C@@H](Cn1c2ccccc2c2cc(I)ccc21)C[NH+]1CCCCC1 ZINC000028464518 556455070 /nfs/dbraw/zinc/45/50/70/556455070.db2.gz JYGTZYWOEGGFAJ-MRXNPFEDSA-N 1 0 434.321 4.246 40 0 IIABRO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000013265841 556501370 /nfs/dbraw/zinc/50/13/70/556501370.db2.gz AMBRLMROZHUPLJ-MJGOQNOKSA-N 1 0 432.442 4.171 40 0 IIABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccnc1 ZINC000013566927 556520233 /nfs/dbraw/zinc/52/02/33/556520233.db2.gz JVYHPPCQDGGVQY-HXUWFJFHSA-N 1 0 443.341 4.255 40 0 IIABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000032125150 556534291 /nfs/dbraw/zinc/53/42/91/556534291.db2.gz IUDHAAYVWICVED-UHFFFAOYSA-N 1 0 437.396 4.262 40 0 IIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccccc2OC[C@@H]2CCCO2)CC1 ZINC000019021141 556693711 /nfs/dbraw/zinc/69/37/11/556693711.db2.gz YGGNVPIWIMVWTD-QHCPKHFHSA-N 1 0 426.532 4.011 40 0 IIABRO CC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000019022409 556694210 /nfs/dbraw/zinc/69/42/10/556694210.db2.gz HVZDYOMOKCHBTM-DQEYMECFSA-N 1 0 446.547 4.182 40 0 IIABRO COc1ccc(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1OC ZINC000019082030 556697093 /nfs/dbraw/zinc/69/70/93/556697093.db2.gz IMRZGYQQARKMGH-QHCPKHFHSA-N 1 0 425.573 4.214 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)C[C@H]2O ZINC000019084453 556698384 /nfs/dbraw/zinc/69/83/84/556698384.db2.gz IKJLLNCWLKORQM-DHIUTWEWSA-N 1 0 425.569 4.377 40 0 IIABRO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@@H](O)COc3ccc(C)cc3C)cc2)n1 ZINC000257243250 556710658 /nfs/dbraw/zinc/71/06/58/556710658.db2.gz IGBCMLVOVQYHDB-XMMPIXPASA-N 1 0 437.584 4.067 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCCC1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257247943 556711258 /nfs/dbraw/zinc/71/12/58/556711258.db2.gz JBFXCRONTXOMHU-HSZRJFAPSA-N 1 0 447.558 4.498 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 ZINC000257251366 556711721 /nfs/dbraw/zinc/71/17/21/556711721.db2.gz JQLKXSGUOPCWRT-QHCPKHFHSA-N 1 0 436.596 4.302 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3c(C)[nH]c4cc(C)ccc43)CC1)C[C@H]2O ZINC000019219616 556714156 /nfs/dbraw/zinc/71/41/56/556714156.db2.gz RNQJOQQXVTWEQC-DHIUTWEWSA-N 1 0 436.552 4.177 40 0 IIABRO O=C1O[C@@]2(CC[N@H+](Cc3ccccc3OCc3cccnc3)C2)CN1Cc1ccccc1 ZINC000257297846 556716990 /nfs/dbraw/zinc/71/69/90/556716990.db2.gz RIZVGMJUOMQSTA-AREMUKBSSA-N 1 0 429.520 4.258 40 0 IIABRO Cc1cccc(C[N@H+]2CC[C@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)n1 ZINC000019236140 556720789 /nfs/dbraw/zinc/72/07/89/556720789.db2.gz MSIGIGUTPKOZCE-HHHXNRCGSA-N 1 0 428.580 4.411 40 0 IIABRO Cc1ccccc1-c1ncc(CN2CCC([NH+]3CCN(Cc4ccccc4)CC3)CC2)cn1 ZINC000019237547 556722749 /nfs/dbraw/zinc/72/27/49/556722749.db2.gz BQTYVFDVGCUPRQ-UHFFFAOYSA-N 1 0 441.623 4.234 40 0 IIABRO COc1ccc2cc(S(=O)(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)ccc2c1 ZINC000054362942 556730365 /nfs/dbraw/zinc/73/03/65/556730365.db2.gz XFDKTKJKXKPPDH-UHFFFAOYSA-N 1 0 440.609 4.124 40 0 IIABRO O=C(Cc1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019343222 556741161 /nfs/dbraw/zinc/74/11/61/556741161.db2.gz VKXYWTTWDUWZFC-OAQYLSRUSA-N 1 0 440.613 4.231 40 0 IIABRO CCc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000000920134 556749244 /nfs/dbraw/zinc/74/92/44/556749244.db2.gz PEDCHZNRLBDMNK-UHFFFAOYSA-N 1 0 436.625 4.468 40 0 IIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCO2 ZINC000019376351 556752126 /nfs/dbraw/zinc/75/21/26/556752126.db2.gz HMHJSCHUAWZGCF-RPWUZVMVSA-N 1 0 431.532 4.159 40 0 IIABRO CC(C)[N@@H+]1CCc2c(=O)[nH]c([C@H]3CCCN3C(=O)c3cc4c(s3)CCCCC4)nc2C1 ZINC000019448403 556757882 /nfs/dbraw/zinc/75/78/82/556757882.db2.gz JEIGZGCNZOKSOD-LJQANCHMSA-N 1 0 440.613 4.256 40 0 IIABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4ccc(F)cc4)[nH]c(=O)c3C2)CC1 ZINC000019496001 556768842 /nfs/dbraw/zinc/76/88/42/556768842.db2.gz JROFTVQXGDNICF-NZBFNNPHSA-N 1 0 438.547 4.235 40 0 IIABRO CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000019529189 556790603 /nfs/dbraw/zinc/79/06/03/556790603.db2.gz AZKMUCDFPQCGHE-MHZLTWQESA-N 1 0 443.595 4.233 40 0 IIABRO COc1cc2c(cc1C[N@@H+]1CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C1)CCC2 ZINC000019550530 556795397 /nfs/dbraw/zinc/79/53/97/556795397.db2.gz ZGBFEULRVBEJIB-NDEPHWFRSA-N 1 0 441.575 4.166 40 0 IIABRO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccccc4OC)C3)no2)cc1 ZINC000019555845 556798991 /nfs/dbraw/zinc/79/89/91/556798991.db2.gz QHNNPTYTWBIEGQ-LJQANCHMSA-N 1 0 435.524 4.001 40 0 IIABRO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+](Cc4ccc(OC)cc4)C3)no2)cc1 ZINC000019555811 556799049 /nfs/dbraw/zinc/79/90/49/556799049.db2.gz RZGGVOXYGOWXSM-FQEVSTJZSA-N 1 0 435.524 4.001 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cc1OC ZINC000019560921 556802336 /nfs/dbraw/zinc/80/23/36/556802336.db2.gz XSFVYSWBGJHJJO-MHZLTWQESA-N 1 0 445.563 4.076 40 0 IIABRO Cc1sc2ncn(CC3(O)CC[NH+](CC[C@H](C)c4ccccc4)CC3)c(=O)c2c1C ZINC000019561500 556802853 /nfs/dbraw/zinc/80/28/53/556802853.db2.gz JOVHOFAGBBOCNE-KRWDZBQOSA-N 1 0 425.598 4.096 40 0 IIABRO COc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+](Cc4cccc(OC)c4)C3)no2)c1 ZINC000019565610 556806267 /nfs/dbraw/zinc/80/62/67/556806267.db2.gz KLKMBDSJJBLAOP-HXUWFJFHSA-N 1 0 435.524 4.001 40 0 IIABRO COc1ccccc1C1([NH2+]Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)CCCC1 ZINC000019569192 556809352 /nfs/dbraw/zinc/80/93/52/556809352.db2.gz SYBXWWYFWMWIEK-UHFFFAOYSA-N 1 0 447.579 4.068 40 0 IIABRO Cc1ccc2cc(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 ZINC000004231315 556820978 /nfs/dbraw/zinc/82/09/78/556820978.db2.gz FGFTYIQJIGBBIU-UHFFFAOYSA-N 1 0 426.948 4.476 40 0 IIABRO CC[C@@H](C)NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCC[N@@H+]1CC ZINC000004217043 556821327 /nfs/dbraw/zinc/82/13/27/556821327.db2.gz AELTZOPKAFPBLU-DYESRHJHSA-N 1 0 428.646 4.104 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019584420 556821975 /nfs/dbraw/zinc/82/19/75/556821975.db2.gz WTARYLFPVVWYIU-IBGZPJMESA-N 1 0 433.556 4.001 40 0 IIABRO COc1cc(C[NH+]2CCC(O)(Cn3c(C(F)(F)F)cc4cccnc43)CC2)cc(OC)c1 ZINC000019595086 556830521 /nfs/dbraw/zinc/83/05/21/556830521.db2.gz ORRGGTGRVZAQFB-UHFFFAOYSA-N 1 0 449.473 4.099 40 0 IIABRO COCCc1ncc(C[NH+]2CCC(c3cc(Cc4cccc(OC)c4)cc(C)n3)CC2)cn1 ZINC000019691735 556847426 /nfs/dbraw/zinc/84/74/26/556847426.db2.gz HAUMBBQETGSGOP-UHFFFAOYSA-N 1 0 446.595 4.348 40 0 IIABRO Cc1nc(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019739272 556877284 /nfs/dbraw/zinc/87/72/84/556877284.db2.gz GLQMODCFQMSUET-HXUWFJFHSA-N 1 0 431.584 4.195 40 0 IIABRO Cc1cc2nc(C3CC[NH+](Cc4[nH]nnc4-c4ccccc4)CC3)cc(C(F)(F)F)n2n1 ZINC000072340797 556912561 /nfs/dbraw/zinc/91/25/61/556912561.db2.gz UUQNYSQAUQOUQB-UHFFFAOYSA-N 1 0 441.461 4.221 40 0 IIABRO CC[NH+]1CCC(CC(=O)N2CCC[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)CC1 ZINC000072353494 556927037 /nfs/dbraw/zinc/92/70/37/556927037.db2.gz ZJLJUQIDMIISME-NRFANRHFSA-N 1 0 436.604 4.060 40 0 IIABRO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@H+](Cc4cccc(OC)c4)C3)c2)cn1 ZINC000072353600 556927425 /nfs/dbraw/zinc/92/74/25/556927425.db2.gz USDOZQYCZSXUPX-NRFANRHFSA-N 1 0 430.552 4.200 40 0 IIABRO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCCC1 ZINC000072358523 556931863 /nfs/dbraw/zinc/93/18/63/556931863.db2.gz LMZQBAFJJGIFJO-GOSISDBHSA-N 1 0 432.490 4.354 40 0 IIABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409055998 556933815 /nfs/dbraw/zinc/93/38/15/556933815.db2.gz LXXOLWZBFYITMX-CIPQKONYSA-O 1 0 439.322 4.010 40 0 IIABRO CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCC1 ZINC000072370697 556935920 /nfs/dbraw/zinc/93/59/20/556935920.db2.gz ILTKDQURJRSHKO-SFHVURJKSA-N 1 0 427.614 4.059 40 0 IIABRO Cc1cnc(NC(=O)CN2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)s1 ZINC000072374877 556949448 /nfs/dbraw/zinc/94/94/48/556949448.db2.gz VWGPINLLYHBCSB-GOSISDBHSA-N 1 0 436.585 4.420 40 0 IIABRO Cc1cnc(NC(=O)CN2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)s1 ZINC000072374878 556949450 /nfs/dbraw/zinc/94/94/50/556949450.db2.gz VWGPINLLYHBCSB-SFHVURJKSA-N 1 0 436.585 4.420 40 0 IIABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)[nH+]1 ZINC000072375014 556950029 /nfs/dbraw/zinc/95/00/29/556950029.db2.gz ZROXHWVWKJNUHQ-SFHVURJKSA-N 1 0 435.503 4.238 40 0 IIABRO Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(C(=O)c3ccc4c(c3)CCCN4C)C2)[nH+]1 ZINC000072375080 556950788 /nfs/dbraw/zinc/95/07/88/556950788.db2.gz VLXWESJCWCXKID-NRFANRHFSA-N 1 0 442.567 4.326 40 0 IIABRO Cn1nc(C2CC2)cc1C(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393402 556964799 /nfs/dbraw/zinc/96/47/99/556964799.db2.gz JIHMSMIXMWPMOK-UHFFFAOYSA-N 1 0 426.992 4.267 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398576 556969947 /nfs/dbraw/zinc/96/99/47/556969947.db2.gz VJDMTAOEFWWAEZ-JPYJTQIMSA-N 1 0 425.573 4.214 40 0 IIABRO CC(C)[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000585106540 557040311 /nfs/dbraw/zinc/04/03/11/557040311.db2.gz AGHZUOMYHJNPPY-MHZLTWQESA-N 1 0 428.580 4.335 40 0 IIABRO O=C(Cc1ccccc1)NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12 ZINC000585110172 557043085 /nfs/dbraw/zinc/04/30/85/557043085.db2.gz RLXXATQGKSVEQK-RPBOFIJWSA-N 1 0 439.559 4.039 40 0 IIABRO COc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCc1ccccc1Cl ZINC000022942438 557053953 /nfs/dbraw/zinc/05/39/53/557053953.db2.gz DRRYOTLLJMOETI-UHFFFAOYSA-N 1 0 427.770 4.341 40 0 IIABRO COC(=O)c1ccccc1NC(=S)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000208868725 557094195 /nfs/dbraw/zinc/09/41/95/557094195.db2.gz JBBOEOVLWLPIEZ-XHIHJMKYSA-N 1 0 425.598 4.065 40 0 IIABRO O=S(=O)(Cc1ccccc1)N1C[C@@H]2C[NH+](CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000096081044 557168581 /nfs/dbraw/zinc/16/85/81/557168581.db2.gz GLPYKWJDLFIUBY-UIOOFZCWSA-N 1 0 446.616 4.212 40 0 IIABRO O=C(Nc1cccc(Cl)c1)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000096144669 557173033 /nfs/dbraw/zinc/17/30/33/557173033.db2.gz ZXESILFMCGKHKG-OAQYLSRUSA-N 1 0 436.943 4.065 40 0 IIABRO O=C(CCc1cccnc1)N1C[C@@H]2C[NH+](CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000096245521 557188317 /nfs/dbraw/zinc/18/83/17/557188317.db2.gz ZHLXVBMHQDXKJZ-UIOOFZCWSA-N 1 0 425.576 4.237 40 0 IIABRO Cc1nccn1Cc1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000585261860 557197309 /nfs/dbraw/zinc/19/73/09/557197309.db2.gz YNGLWMOKPKKEMR-GSDHBNRESA-N 1 0 428.580 4.380 40 0 IIABRO CC(=O)N1CCN(C(=O)c2ccccc2C[NH+]2CCCC2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000585262009 557198535 /nfs/dbraw/zinc/19/85/35/557198535.db2.gz WDCLSJZVEGVKIO-AREMUKBSSA-N 1 0 449.595 4.115 40 0 IIABRO O=C(Cc1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000096319722 557199333 /nfs/dbraw/zinc/19/93/33/557199333.db2.gz RPGBCZRZMBQLPM-NRFANRHFSA-N 1 0 440.613 4.231 40 0 IIABRO CC[NH+](CC)CCCNC(=O)[C@@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000585262483 557202214 /nfs/dbraw/zinc/20/22/14/557202214.db2.gz CEMGBKQTVRBCKJ-SANMLTNESA-N 1 0 442.575 4.441 40 0 IIABRO CCCc1cnc(Nc2cc(C(C)C)nc(C3CCN(C(=O)C(C)(C)[NH3+])CC3)n2)s1 ZINC000585263274 557203990 /nfs/dbraw/zinc/20/39/90/557203990.db2.gz UQGPGUWXWFEDLE-UHFFFAOYSA-N 1 0 430.622 4.196 40 0 IIABRO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCCCC3)c2C)cc1 ZINC000010111291 557204142 /nfs/dbraw/zinc/20/41/42/557204142.db2.gz FLWHPALZTFTQEJ-UHFFFAOYSA-N 1 0 443.613 4.100 40 0 IIABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2C)cc1C ZINC000010112038 557204450 /nfs/dbraw/zinc/20/44/50/557204450.db2.gz IGTVABSQGFROSN-UHFFFAOYSA-N 1 0 443.613 4.018 40 0 IIABRO Cc1nccn1CCCOc1cccc(C[NH+]2CCC(O)(COc3ccc(C)cc3)CC2)c1 ZINC000585272071 557216769 /nfs/dbraw/zinc/21/67/69/557216769.db2.gz FKPBERCMDYJBOF-UHFFFAOYSA-N 1 0 449.595 4.375 40 0 IIABRO COc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)n2)c1 ZINC000219241627 557232395 /nfs/dbraw/zinc/23/23/95/557232395.db2.gz BWKFAZMEWYPGPW-GOSISDBHSA-N 1 0 434.540 4.249 40 0 IIABRO Cc1ccc(OC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000026781402 557248519 /nfs/dbraw/zinc/24/85/19/557248519.db2.gz QUVORWIOPONFPL-AREMUKBSSA-N 1 0 430.592 4.450 40 0 IIABRO Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022929100 557277495 /nfs/dbraw/zinc/27/74/95/557277495.db2.gz JQKWSZNKSXGCPB-VWLOTQADSA-N 1 0 430.600 4.070 40 0 IIABRO Clc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000022929135 557277541 /nfs/dbraw/zinc/27/75/41/557277541.db2.gz LCOUTTHPRKRXBV-QHCPKHFHSA-N 1 0 436.991 4.024 40 0 IIABRO CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000072345207 557377451 /nfs/dbraw/zinc/37/74/51/557377451.db2.gz GFYLCCNQCPUJEO-UHFFFAOYSA-N 1 0 434.559 4.187 40 0 IIABRO COc1cc(OC)c(OC)cc1CN(Cc1cccnc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013992664 557400860 /nfs/dbraw/zinc/40/08/60/557400860.db2.gz CPOMUXGMZVKNLG-UHFFFAOYSA-N 1 0 427.589 4.419 40 0 IIABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccccc2F)CCOCC1 ZINC000225571292 557744618 /nfs/dbraw/zinc/74/46/18/557744618.db2.gz GEFHQJAURHPOJI-UHFFFAOYSA-N 1 0 426.532 4.377 40 0 IIABRO COc1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c2cccnc12 ZINC000225775460 557776028 /nfs/dbraw/zinc/77/60/28/557776028.db2.gz NFUTWKHOSHVWDM-UHFFFAOYSA-N 1 0 436.581 4.203 40 0 IIABRO Cc1nc2cc([C@H]3CCC[N@@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257201500 568665813 /nfs/dbraw/zinc/66/58/13/568665813.db2.gz AHXQQVAKUYXRLP-XUZZJYLKSA-N 1 0 435.616 4.394 40 0 IIABRO COc1cccc(C[N@@H+]2CC[C@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)c1 ZINC000257204940 568667599 /nfs/dbraw/zinc/66/75/99/568667599.db2.gz AWYWWHUREXNOIY-NRFANRHFSA-N 1 0 436.600 4.083 40 0 IIABRO Cc1nc2cc([C@H]3CC[N@H+](Cc4cccs4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257222540 568675492 /nfs/dbraw/zinc/67/54/92/568675492.db2.gz DTROUPFIERJCHY-SFHVURJKSA-N 1 0 439.629 4.244 40 0 IIABRO CCc1nnc(Nc2cccc([C@H]3CCCN(C(=O)CC4CC[NH+](CC)CC4)C3)n2)s1 ZINC000257229192 568678466 /nfs/dbraw/zinc/67/84/66/568678466.db2.gz FXBJBYADNONIAR-SFHVURJKSA-N 1 0 442.633 4.067 40 0 IIABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(CC(=O)NCc3ccccn3)C2)[nH+]1 ZINC000257233364 568680663 /nfs/dbraw/zinc/68/06/63/568680663.db2.gz GOYLFLJZCVCQJQ-LJQANCHMSA-N 1 0 433.531 4.164 40 0 IIABRO Cc1cc(Nc2cnccn2)cc(C2CCN(C(=O)c3ccc4c(c3)CCCN4C)CC2)[nH+]1 ZINC000257235147 568681595 /nfs/dbraw/zinc/68/15/95/568681595.db2.gz GWQJMLMHAHXBOT-UHFFFAOYSA-N 1 0 442.567 4.326 40 0 IIABRO COc1ccc(-c2cccc(CC3(C(=O)NCC4CC[NH+](C)CC4)CCOCC3)c2)cc1 ZINC000257236440 568682228 /nfs/dbraw/zinc/68/22/28/568682228.db2.gz HCEWBPBTJFRPNY-UHFFFAOYSA-N 1 0 436.596 4.160 40 0 IIABRO COc1cccc(-c2nccc([C@H]3CCCN3C(=O)c3ccccc3Cn3ccnc3)n2)c1 ZINC000257237930 568682862 /nfs/dbraw/zinc/68/28/62/568682862.db2.gz HIWPMNLQYLHOFM-XMMPIXPASA-N 1 0 439.519 4.374 40 0 IIABRO COc1ccccc1-c1cccc(CC2(C(=O)N[C@H](C)C[NH+]3CCCC3)CCOCC2)c1 ZINC000257242028 568684674 /nfs/dbraw/zinc/68/46/74/568684674.db2.gz IASSMHWLQLETSP-OAQYLSRUSA-N 1 0 436.596 4.302 40 0 IIABRO Cc1nc([C@H]2CC[N@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257251283 568688986 /nfs/dbraw/zinc/68/89/86/568688986.db2.gz JQCLQOBYFYAQEO-NRFANRHFSA-N 1 0 432.543 4.446 40 0 IIABRO Fc1cccc(Oc2cccc([C@@H]3CCC[N@H+](Cc4ccnc(N5CCOCC5)n4)C3)n2)c1 ZINC000257256203 568691462 /nfs/dbraw/zinc/69/14/62/568691462.db2.gz KKLVLNULSUBMIZ-LJQANCHMSA-N 1 0 449.530 4.019 40 0 IIABRO CC1(C)CC(CC(=O)N2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)CC(C)(C)[NH2+]1 ZINC000257269482 568697107 /nfs/dbraw/zinc/69/71/07/568697107.db2.gz MQEHZTDBYSJFEA-HXUWFJFHSA-N 1 0 437.588 4.067 40 0 IIABRO CCCN1CC[N@H+](Cc2[nH]c(CC)nc2C)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257271322 568698199 /nfs/dbraw/zinc/69/81/99/568698199.db2.gz MXVMLCOEQFKOLN-QHCPKHFHSA-N 1 0 445.611 4.256 40 0 IIABRO Cc1nc2ccccc2n1CC(=O)N1[C@@H]2CCC[C@@H]3[N@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257295813 568709333 /nfs/dbraw/zinc/70/93/33/568709333.db2.gz QZZMPDBQHXVQHU-SVNGMSFNSA-N 1 0 442.607 4.430 40 0 IIABRO CC(C)c1ccc(C[NH+]2CCC(c3nnc([C@@H]4CCCCN4S(C)(=O)=O)o3)CC2)cc1 ZINC000257296951 568710204 /nfs/dbraw/zinc/71/02/04/568710204.db2.gz RFDMKASXHSOBDQ-NRFANRHFSA-N 1 0 446.617 4.059 40 0 IIABRO C[NH+]1CCC(C)(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)CC1 ZINC000257303193 568712812 /nfs/dbraw/zinc/71/28/12/568712812.db2.gz SGEDKMAOQGNQMN-PZJWPPBQSA-N 1 0 432.992 4.293 40 0 IIABRO COCCN1C(=O)C[C@H](c2ccc(Cl)cc2)[C@@H]2[C@H]1CCC[C@@H]2[NH2+]Cc1cccnc1 ZINC000257334748 568726239 /nfs/dbraw/zinc/72/62/39/568726239.db2.gz YHFUJBPMSQFNCR-GBAAUQCPSA-N 1 0 427.976 4.024 40 0 IIABRO CCN(C(=O)c1cccc(Nc2ncccn2)c1)[C@H]1CCOC2(CC[NH+](C(C)C)CC2)C1 ZINC000257337743 568727865 /nfs/dbraw/zinc/72/78/65/568727865.db2.gz YUEFCJIFPRNNMI-QFIPXVFZSA-N 1 0 437.588 4.104 40 0 IIABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306129078 568765398 /nfs/dbraw/zinc/76/53/98/568765398.db2.gz HTWUOOZYSMRVNT-ZJSXRUAMSA-N 1 0 426.992 4.346 40 0 IIABRO O=C1N(Cc2cccnc2)CC[C@@]12C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]2c1cccnc1 ZINC000306133072 568767721 /nfs/dbraw/zinc/76/77/21/568767721.db2.gz MAWXXDZJNFFLJW-NOZRDPDXSA-N 1 0 432.955 4.148 40 0 IIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cc(F)ccc5OC)cn4n3)C2)cn1 ZINC000306134661 568768650 /nfs/dbraw/zinc/76/86/50/568768650.db2.gz NUWNNXLQIMMGBH-IBGZPJMESA-N 1 0 434.519 4.140 40 0 IIABRO Cc1cccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC000306138024 568770309 /nfs/dbraw/zinc/77/03/09/568770309.db2.gz RMZPFTMMHLZUFD-SHQCIBLASA-N 1 0 443.595 4.186 40 0 IIABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2nccs2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306142050 568772428 /nfs/dbraw/zinc/77/24/28/568772428.db2.gz WNWQYSFQWDFEBY-SQJMNOBHSA-N 1 0 449.624 4.329 40 0 IIABRO CC(C)c1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328984935 568808498 /nfs/dbraw/zinc/80/84/98/568808498.db2.gz HQWFGFKENZWZES-GOSISDBHSA-N 1 0 438.494 4.490 40 0 IIABRO C[C@@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC(C)(C)C1 ZINC000034171013 568896123 /nfs/dbraw/zinc/89/61/23/568896123.db2.gz JPXOJNVGGPAPIF-UIFIKXQLSA-N 1 0 428.539 4.420 40 0 IIABRO O=C(c1ccc(Nc2ncccn2)cc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199311 568921934 /nfs/dbraw/zinc/92/19/34/568921934.db2.gz ZBKDYXFBRCYKLP-SGKWCMOWSA-N 1 0 429.568 4.255 40 0 IIABRO O=C(c1ccc(Nc2ncccn2)cc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199309 568921936 /nfs/dbraw/zinc/92/19/36/568921936.db2.gz ZBKDYXFBRCYKLP-DVKRWUGUSA-N 1 0 429.568 4.255 40 0 IIABRO C[C@@H](C(=O)Nc1ccc(CC[C@H]2CC[N@H+](C)C[C@H]2C)cc1)n1ncc2ccccc2c1=O ZINC000248159028 569207368 /nfs/dbraw/zinc/20/73/68/569207368.db2.gz WSYMNBBJHPQMAU-DYXWJJEUSA-N 1 0 432.568 4.117 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cc1 ZINC000019555087 569227001 /nfs/dbraw/zinc/22/70/01/569227001.db2.gz BUOPIQIXEGJGMJ-WNCULLNHSA-N 1 0 429.564 4.402 40 0 IIABRO NC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000019702613 569232284 /nfs/dbraw/zinc/23/22/84/569232284.db2.gz CVVCMOWZFHTMNR-SFHVURJKSA-N 1 0 444.560 4.359 40 0 IIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cc(-c4cnn(C)c4C)no3)cc2)C1 ZINC000019711837 569235054 /nfs/dbraw/zinc/23/50/54/569235054.db2.gz VQDKFWBLTCQUJR-KNQAVFIVSA-N 1 0 437.544 4.198 40 0 IIABRO Cc1ccc(-n2cc(C[N@@H+]3CC[C@@H]4[C@H]3CCCC(=O)N4Cc3ccc(F)cc3)cn2)cc1 ZINC000019713129 569235505 /nfs/dbraw/zinc/23/55/05/569235505.db2.gz GYUXGDKVIWIINV-JWQCQUIFSA-N 1 0 432.543 4.475 40 0 IIABRO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@H+](CC4CCCCC4)C3)nc2C)c1 ZINC000019763392 569238024 /nfs/dbraw/zinc/23/80/24/569238024.db2.gz XVLZMBWCJQEDKW-QFIPXVFZSA-N 1 0 436.600 4.483 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](CCc3ccccc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765493 569238770 /nfs/dbraw/zinc/23/87/70/569238770.db2.gz UOCBJHFKMJAUEE-QFIPXVFZSA-N 1 0 432.543 4.276 40 0 IIABRO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)C(C)(C)C)c1 ZINC000009087203 569293663 /nfs/dbraw/zinc/29/36/63/569293663.db2.gz XXAKPPYKBYUAGJ-ODAXIHTASA-N 1 0 428.532 4.434 40 0 IIABRO COc1cccc(OCC[NH+]2CCC([C@@H]3CC=CCN(Cc4ccccc4)C3=O)CC2)c1 ZINC000019698387 569326871 /nfs/dbraw/zinc/32/68/71/569326871.db2.gz WUVZHYXGNOUSTG-SANMLTNESA-N 1 0 434.580 4.391 40 0 IIABRO Cc1nnc2n1C[C@@H](c1cccc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)c1)CC2 ZINC000019698226 569326968 /nfs/dbraw/zinc/32/69/68/569326968.db2.gz JGINMIULQKMTSM-DEOSSOPVSA-N 1 0 443.595 4.053 40 0 IIABRO COc1ccc(OC)c(C(=O)NCc2cnn(-c3ccccc3)c2[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000019707990 569327577 /nfs/dbraw/zinc/32/75/77/569327577.db2.gz UIPGTACJDVPZDA-IBGZPJMESA-N 1 0 448.567 4.017 40 0 IIABRO CCn1c(C[N@@H+]2[C@H](Cc3ccc(OC)cc3)C[C@@H]3NC(=O)CCCC[C@H]32)nc2ccccc21 ZINC000019713882 569327787 /nfs/dbraw/zinc/32/77/87/569327787.db2.gz HOBIFDJXWBJKST-JHMXWDHMSA-N 1 0 446.595 4.309 40 0 IIABRO COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3cnc4ccccc4c3)n2)c1 ZINC000049155073 291382176 /nfs/dbraw/zinc/38/21/76/291382176.db2.gz ZPTKAYVGANBGPU-QFIPXVFZSA-N 1 0 431.496 4.042 40 0 biogenic,in-vitro IIABRO COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+]4CCN(C)CC4)C=C3C)o2)cc1 ZINC000030883259 291383192 /nfs/dbraw/zinc/38/31/92/291383192.db2.gz NVABKVZZZJSILJ-FIXSFTCYSA-N 1 0 438.616 4.390 40 0 biogenic,in-vitro IIABRO O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1 ZINC000067870802 291385468 /nfs/dbraw/zinc/38/54/68/291385468.db2.gz JKAOXIMCAIJEKW-OHSXHVKISA-N 1 0 446.639 4.473 40 0 biogenic,in-vitro IIABRO CC[NH+](CC)CCN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)NCc1ccccc1 ZINC000012705974 520645172 /nfs/dbraw/zinc/64/51/72/520645172.db2.gz DYLBFBBJKLKYCS-UHFFFAOYSA-N 1 0 434.584 4.199 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3onc4c3C[C@@H](C)CC4)C2)cc1CN1CCOCC1 ZINC000036718932 524028308 /nfs/dbraw/zinc/02/83/08/524028308.db2.gz DZIGMEBTHRYYKN-PZJWPPBQSA-N 1 0 439.600 4.020 40 0 IIABRO O=c1c(-c2cccc(C(F)(F)F)c2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(CO)o2)C1 ZINC000020503180 527449445 /nfs/dbraw/zinc/44/94/45/527449445.db2.gz DROGSUYUDDSVJC-DOTOQJQBSA-N 1 0 444.453 4.239 40 0 biogenic,in-vitro IIABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1OC ZINC000039767239 556437083 /nfs/dbraw/zinc/43/70/83/556437083.db2.gz QUSYMZUXVDHOSB-UHFFFAOYSA-N 1 0 428.548 4.194 40 0 IIABRO CCC1CC[NH+](CCC2CCN([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)CC1 ZINC000015080427 556500773 /nfs/dbraw/zinc/50/07/73/556500773.db2.gz FPHANIDUEVFWCI-JOCHJYFZSA-N 1 0 449.998 4.335 40 0 IIABRO CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)cc2)c1 ZINC000032125287 556534571 /nfs/dbraw/zinc/53/45/71/556534571.db2.gz MJEJQBTYCXMANL-UHFFFAOYSA-N 1 0 440.613 4.134 40 0 IIABRO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](C4CCC(F)(F)CC4)C[C@H]2N(C)C3=O)c1 ZINC000514290387 556626595 /nfs/dbraw/zinc/62/65/95/556626595.db2.gz ZXFDKMJRKXIOBA-GGAORHGYSA-N 1 0 442.506 4.457 40 0 biogenic,in-vitro IIABRO COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044908713 556680377 /nfs/dbraw/zinc/68/03/77/556680377.db2.gz QZYSHRGLYMZKDO-HXUWFJFHSA-N 1 0 430.548 4.451 40 0 IIABRO CC(C)(C)c1n[nH]cc1C[NH+]1CCC([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019083488 556697879 /nfs/dbraw/zinc/69/78/79/556697879.db2.gz HZLFJNFOZHLZEC-RUZDIDTESA-N 1 0 445.611 4.414 40 0 IIABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCc1ccccc1[C@@H]2NC(=O)C(C)C ZINC000019086186 556699893 /nfs/dbraw/zinc/69/98/93/556699893.db2.gz NDQNERDUFDHKSZ-QQNWGBJXSA-N 1 0 447.623 4.089 40 0 IIABRO Cc1c(C)n(C[C@@H](O)C[N@@H+](C)Cc2ccc(OCCn3cccn3)cc2)c2ccccc12 ZINC000257335665 556706321 /nfs/dbraw/zinc/70/63/21/556706321.db2.gz YLHRHJOLYUQBMP-QHCPKHFHSA-N 1 0 432.568 4.027 40 0 IIABRO Cc1ccc(C2(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[nH]3)CC[N@@H+](C(C)C)C4)CCCC2)cc1 ZINC000019208488 556708250 /nfs/dbraw/zinc/70/82/50/556708250.db2.gz PPKUEFAROCEDNC-HSZRJFAPSA-N 1 0 448.611 4.433 40 0 IIABRO Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)cc1 ZINC000019209728 556708448 /nfs/dbraw/zinc/70/84/48/556708448.db2.gz BLGZPYWRXFKMHY-QHCPKHFHSA-N 1 0 434.584 4.088 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CC[N@H+](Cc2cccc(C)c2OC)C1 ZINC000019235898 556720583 /nfs/dbraw/zinc/72/05/83/556720583.db2.gz AAZNGUULZCHZJH-HHHXNRCGSA-N 1 0 429.564 4.246 40 0 IIABRO Cc1ccsc1C[N@@H+](C)Cc1c2nccnc2[nH]c1C1CCN(C(=O)C2CCC2)CC1 ZINC000019238567 556723768 /nfs/dbraw/zinc/72/37/68/556723768.db2.gz JVPJRZXCKIFYGB-UHFFFAOYSA-N 1 0 437.613 4.466 40 0 IIABRO Cc1ccc(NCc2nnc(SCC[NH+]3CCCCC3)n2C[C@H]2CCCO2)c(C)c1 ZINC000000923538 556751637 /nfs/dbraw/zinc/75/16/37/556751637.db2.gz RGUXFBZVCUBYKU-HXUWFJFHSA-N 1 0 429.634 4.264 40 0 IIABRO O=C(Cc1ccsc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019406429 556755224 /nfs/dbraw/zinc/75/52/24/556755224.db2.gz ZLBRRLXCIJPWHC-NRFANRHFSA-N 1 0 440.613 4.088 40 0 IIABRO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000019454030 556764569 /nfs/dbraw/zinc/76/45/69/556764569.db2.gz LBAYCKXWRSDZMR-MHZLTWQESA-N 1 0 443.595 4.233 40 0 IIABRO Cc1noc2nc([C@H]3CCCN(C(=O)C4CC[NH+](C(C)C)CC4)C3)cc(C(F)(F)F)c12 ZINC000019563800 556804514 /nfs/dbraw/zinc/80/45/14/556804514.db2.gz FTEHGULBXMGNEW-INIZCTEOSA-N 1 0 438.494 4.376 40 0 IIABRO Cc1cc(C(=O)N2CCC(O)(C[N@@H+]3CCCC[C@@H]3c3cccnc3)CC2)c2ccccc2n1 ZINC000019569424 556809436 /nfs/dbraw/zinc/80/94/36/556809436.db2.gz CDYSUKCWMVLCMC-RUZDIDTESA-N 1 0 444.579 4.133 40 0 IIABRO COc1cccc(C[N@@H+]2CC[C@](Cc3ccc(-c4cccnc4)cc3)(C(=O)N(C)C)C2)c1 ZINC000019580359 556818500 /nfs/dbraw/zinc/81/85/00/556818500.db2.gz CNODVHVFUNLZMH-HHHXNRCGSA-N 1 0 429.564 4.280 40 0 IIABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(OC)c1 ZINC000019585274 556822360 /nfs/dbraw/zinc/82/23/60/556822360.db2.gz NNRVHBNJNJJERR-JOCHJYFZSA-N 1 0 433.556 4.349 40 0 IIABRO CCn1cc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c(C)n1 ZINC000019687569 556842226 /nfs/dbraw/zinc/84/22/26/556842226.db2.gz YWIKMYDADKVLHE-UHFFFAOYSA-N 1 0 434.588 4.123 40 0 IIABRO Cc1nc2sccn2c1C[NH+]1CCC(c2nc(-c3ccccc3)c(C(=O)N(C)C)[nH]2)CC1 ZINC000019696984 556854062 /nfs/dbraw/zinc/85/40/62/556854062.db2.gz GLJYWMZLMLWLRF-UHFFFAOYSA-N 1 0 448.596 4.176 40 0 IIABRO Cc1nnc2n1C[C@H](c1cccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)c1)CC2 ZINC000019698213 556856200 /nfs/dbraw/zinc/85/62/00/556856200.db2.gz XTHPAXLEIUPHRJ-HSZRJFAPSA-N 1 0 435.616 4.235 40 0 IIABRO CN(C)c1ncccc1C[NH+]1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698460 556856728 /nfs/dbraw/zinc/85/67/28/556856728.db2.gz XHDXSGOLVABTLT-DEOSSOPVSA-N 1 0 436.575 4.104 40 0 IIABRO CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2ccccn2)CC1 ZINC000019700264 556859857 /nfs/dbraw/zinc/85/98/57/556859857.db2.gz NHZOAHIRZXXNGY-UHFFFAOYSA-N 1 0 428.580 4.495 40 0 IIABRO Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CC[NH+](Cc5ccncc5)CC4)nc32)cc1 ZINC000019703725 556862184 /nfs/dbraw/zinc/86/21/84/556862184.db2.gz ZHOCBNYUPYJHEK-UHFFFAOYSA-N 1 0 441.579 4.347 40 0 IIABRO CCN(CC)c1ncc(C[NH+]2CCC(c3ccc(C(=O)N4CCCCC4)cn3)CC2)s1 ZINC000019708290 556868756 /nfs/dbraw/zinc/86/87/56/556868756.db2.gz HHROTBJMZBUMMA-UHFFFAOYSA-N 1 0 441.645 4.390 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(C)nn(-c4ccccn4)c3n2)cc1CO ZINC000019742452 556886418 /nfs/dbraw/zinc/88/64/18/556886418.db2.gz VLTBZXKBXCRPNK-HSZRJFAPSA-N 1 0 443.551 4.352 40 0 IIABRO COc1cccc(C[NH+]2CCC(Cc3nn(C)cc3C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000019756398 556900245 /nfs/dbraw/zinc/90/02/45/556900245.db2.gz ZBJJEKLEFOJLQB-UHFFFAOYSA-N 1 0 436.531 4.275 40 0 IIABRO CC[NH+]1CCN(c2cc(NC(=O)c3cccc(Br)c3)c(Cl)cc2N)CC1 ZINC000072229292 556901347 /nfs/dbraw/zinc/90/13/47/556901347.db2.gz WCZUXFCROOCZPR-UHFFFAOYSA-N 1 0 437.769 4.079 40 0 IIABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)c1 ZINC000072330395 556905430 /nfs/dbraw/zinc/90/54/30/556905430.db2.gz PNFINCDYPJJPDZ-NLFFAJNJSA-N 1 0 437.584 4.359 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1OC ZINC000072351302 556921104 /nfs/dbraw/zinc/92/11/04/556921104.db2.gz CJXZNTDKDJYEJG-QGZVFWFLSA-N 1 0 427.545 4.134 40 0 IIABRO CCn1nc(C)c(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)NCCOC)C2)c1C ZINC000072352301 556923633 /nfs/dbraw/zinc/92/36/33/556923633.db2.gz WNLJDCVCUZOGAX-GOSISDBHSA-N 1 0 440.613 4.100 40 0 IIABRO CC[NH+]1CCC(CC(=O)N2CCC[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)CC1 ZINC000072353495 556927102 /nfs/dbraw/zinc/92/71/02/556927102.db2.gz ZJLJUQIDMIISME-OAQYLSRUSA-N 1 0 436.604 4.060 40 0 IIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C1)CCC2 ZINC000072353692 556927763 /nfs/dbraw/zinc/92/77/63/556927763.db2.gz USIIPZNSQVPSOC-FQEVSTJZSA-N 1 0 429.568 4.306 40 0 IIABRO CC(=O)N1CCC([NH+]2CCC(c3cncc(-c4cccc(C(F)(F)F)c4)n3)CC2)CC1 ZINC000072359790 556932746 /nfs/dbraw/zinc/93/27/46/556932746.db2.gz WKJBJJMWVMLALM-UHFFFAOYSA-N 1 0 432.490 4.353 40 0 IIABRO CC(C)N(C(=O)C[NH+]1CCC(c2ccc(Nc3cnccn3)cn2)CC1)C1CCCCC1 ZINC000072374335 556947960 /nfs/dbraw/zinc/94/79/60/556947960.db2.gz IYMFXVIKUQXERI-UHFFFAOYSA-N 1 0 436.604 4.364 40 0 IIABRO Cc1noc(C)c1CC(=O)N1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000072375020 556950162 /nfs/dbraw/zinc/95/01/62/556950162.db2.gz HBKCBZYQDCUIHS-IBGZPJMESA-N 1 0 434.544 4.094 40 0 IIABRO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@@H+](CC(=O)N(C)C4CCCCC4)C3)n2)n1 ZINC000072375954 556953640 /nfs/dbraw/zinc/95/36/40/556953640.db2.gz PVOZYTXWNQDOGN-FQEVSTJZSA-N 1 0 436.604 4.203 40 0 IIABRO O=c1ccc(-c2ccc(Cl)s2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000072394321 556965923 /nfs/dbraw/zinc/96/59/23/556965923.db2.gz YCFJBKUPBHXAPS-YLQYIJTPSA-N 1 0 448.013 4.245 40 0 IIABRO CCCN1CC[N@H+](Cc2cccc(O)c2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000585183595 557139352 /nfs/dbraw/zinc/13/93/52/557139352.db2.gz IJASDSFQRUEPHW-DEOSSOPVSA-N 1 0 429.564 4.367 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NC1CCCCC1 ZINC000006193321 557148390 /nfs/dbraw/zinc/14/83/90/557148390.db2.gz CYVIPLCBOAHCNF-UHFFFAOYSA-N 1 0 442.673 4.496 40 0 IIABRO O=S(=O)(c1ccccc1)N1C[C@H]2C[NH+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000096080831 557168654 /nfs/dbraw/zinc/16/86/54/557168654.db2.gz IOXUDIDTWOVGEN-DNQXCXABSA-N 1 0 432.589 4.071 40 0 IIABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)c1 ZINC000022108613 557177892 /nfs/dbraw/zinc/17/78/92/557177892.db2.gz OYHGFIYAVREMCG-UHFFFAOYSA-N 1 0 432.476 4.333 40 0 IIABRO C[NH+](C)C1CCN(C(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)CC1 ZINC000096154329 557177986 /nfs/dbraw/zinc/17/79/86/557177986.db2.gz LPZQPYADODJPJQ-UHFFFAOYSA-N 1 0 434.471 4.455 40 0 IIABRO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000585261966 557197937 /nfs/dbraw/zinc/19/79/37/557197937.db2.gz VCXVIJFLNXVGBW-SANMLTNESA-N 1 0 433.527 4.080 40 0 IIABRO Cc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585274266 557218324 /nfs/dbraw/zinc/21/83/24/557218324.db2.gz UWSCTYZVTPNSAY-SANMLTNESA-N 1 0 435.568 4.067 40 0 IIABRO COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022928545 557271675 /nfs/dbraw/zinc/27/16/75/557271675.db2.gz BRPBAGSWPGWOKS-DEOSSOPVSA-N 1 0 438.620 4.227 40 0 IIABRO c1csc([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000022930082 557274710 /nfs/dbraw/zinc/27/47/10/557274710.db2.gz AFRCKWVTYQNNSP-QHCPKHFHSA-N 1 0 436.629 4.017 40 0 IIABRO COc1cc(CNCC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000023469522 557314697 /nfs/dbraw/zinc/31/46/97/557314697.db2.gz PIHLEJIOOYICGP-ZDUSSCGKSA-N 1 0 447.790 4.294 40 0 IIABRO O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222600375 557359530 /nfs/dbraw/zinc/35/95/30/557359530.db2.gz HPLDXQJDVYWQIP-KRWDZBQOSA-N 1 0 428.895 4.058 40 0 IIABRO CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222601684 557359736 /nfs/dbraw/zinc/35/97/36/557359736.db2.gz LVBRYGDRIFYLAV-SFHVURJKSA-N 1 0 442.922 4.400 40 0 IIABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1ccccc1 ZINC000223264970 557452836 /nfs/dbraw/zinc/45/28/36/557452836.db2.gz UQULYISCDCYNLV-RPWUZVMVSA-N 1 0 433.625 4.082 40 0 IIABRO Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223290480 557456264 /nfs/dbraw/zinc/45/62/64/557456264.db2.gz ZVRDISUKUTZRKA-BJKOFHAPSA-N 1 0 433.625 4.332 40 0 IIABRO COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000224558121 557623017 /nfs/dbraw/zinc/62/30/17/557623017.db2.gz KORPZQHNZNBUHJ-GOTSBHOMSA-N 1 0 427.533 4.453 40 0 IIABRO COc1cc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)c(OC)cc1Cl ZINC000225230414 557702859 /nfs/dbraw/zinc/70/28/59/557702859.db2.gz SETGLDSLTUGRCI-UHFFFAOYSA-N 1 0 426.007 4.370 40 0 IIABRO Nc1cc(C(=O)N2CCCC2)ccc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225440710 557723032 /nfs/dbraw/zinc/72/30/32/557723032.db2.gz AVBQAABQUBHOCM-UHFFFAOYSA-N 1 0 440.591 4.416 40 0 IIABRO COc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccccc4F)CC3)s2)cc1 ZINC000225782337 557777441 /nfs/dbraw/zinc/77/74/41/557777441.db2.gz BQZQNCAVPCUKDB-UHFFFAOYSA-N 1 0 426.517 4.204 40 0 IIABRO Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H](C)[NH+]3CCCCC3)CC2)on1 ZINC000257250042 568615703 /nfs/dbraw/zinc/61/57/03/568615703.db2.gz JKSWEGKGHUOSFD-IHPCNDPISA-N 1 0 425.577 4.013 40 0 IIABRO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@@H](O)Cn3ccc4ccccc43)cc2)n1 ZINC000585270022 568616755 /nfs/dbraw/zinc/61/67/55/568616755.db2.gz BPFSSZIXDHVZTF-XMMPIXPASA-N 1 0 432.568 4.027 40 0 IIABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)[nH+]1 ZINC000257215346 568672364 /nfs/dbraw/zinc/67/23/64/568672364.db2.gz CPRUALMFIMSRDH-IBGZPJMESA-N 1 0 434.515 4.231 40 0 IIABRO Cc1cc(C(F)F)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)n1 ZINC000257223240 568675689 /nfs/dbraw/zinc/67/56/89/568675689.db2.gz DWMOFDBMNPMSHB-LJPURSFPSA-N 1 0 442.554 4.262 40 0 IIABRO C[NH+]1CCC(Cc2ccccc2)(C(=O)N2CCC[C@@H](Cc3nccn4cccc34)CC2)CC1 ZINC000257224172 568676166 /nfs/dbraw/zinc/67/61/66/568676166.db2.gz FAPGYCHICSTFKT-HSZRJFAPSA-N 1 0 444.623 4.460 40 0 IIABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)Cn4ccnc4C(C)C)C3)c2)c1 ZINC000257232307 568679986 /nfs/dbraw/zinc/67/99/86/568679986.db2.gz GKHNKFMKQZESDQ-LJQANCHMSA-N 1 0 433.556 4.478 40 0 IIABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)c(CC(=O)Nc4ccc(F)cc4)c(C)n3)C2)n1 ZINC000257232767 568680417 /nfs/dbraw/zinc/68/04/17/568680417.db2.gz GMIIXQUNZUJYMY-FQEVSTJZSA-N 1 0 447.558 4.497 40 0 IIABRO CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@H+](Cc3ccc(OC)c(C)c3C)C2)nc1C ZINC000257236843 568682268 /nfs/dbraw/zinc/68/22/68/568682268.db2.gz HDZZKYINPLIVCK-QFIPXVFZSA-N 1 0 438.616 4.119 40 0 IIABRO CC1(C)C=C(CC(=O)N2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)CC(C)(C)[NH2+]1 ZINC000257264693 568695291 /nfs/dbraw/zinc/69/52/91/568695291.db2.gz LVRDUCPNEMTCNZ-IBGZPJMESA-N 1 0 434.588 4.188 40 0 IIABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)CCc3c(C)nc(N)nc3C)C2)[nH+]1 ZINC000257275672 568700387 /nfs/dbraw/zinc/70/03/87/568700387.db2.gz NQJXWHZDAIHSAO-GOSISDBHSA-N 1 0 448.546 4.210 40 0 IIABRO Cn1cc(C[NH+]2CCC3(CO[C@@H]([C@@]4(C)CC[C@H](O)C(C)(C)O4)C3)CC2)c2cc(F)ccc21 ZINC000257292821 568707825 /nfs/dbraw/zinc/70/78/25/568707825.db2.gz QNCBKIDUNLLQFQ-JBRSBNLGSA-N 1 0 444.591 4.397 40 0 IIABRO O=C(N1CC[NH2+]C[C@@H](COCc2ccccc2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000257304353 568713274 /nfs/dbraw/zinc/71/32/74/568713274.db2.gz SLFZSXMMERKSIQ-OAQYLSRUSA-N 1 0 426.988 4.417 40 0 IIABRO Cc1cc(Nc2cnccn2)cc(C2CCN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)CC2)[nH+]1 ZINC000257334039 568725934 /nfs/dbraw/zinc/72/59/34/568725934.db2.gz YEGNNZNXABLHBT-QFIPXVFZSA-N 1 0 449.942 4.287 40 0 IIABRO C[NH+]1CCC(n2ncc3c2-c2ccccc2OC32CCN(C(=O)C3CCCC3)CC2)CC1 ZINC000306126039 568764196 /nfs/dbraw/zinc/76/41/96/568764196.db2.gz DKIPILUBPXYFIV-UHFFFAOYSA-N 1 0 434.584 4.217 40 0 IIABRO COc1ccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(CCN(CCc4ccccc4)C3=O)C2)cc1 ZINC000306133291 568767676 /nfs/dbraw/zinc/76/76/76/568767676.db2.gz MHQZJPCQMZSRLV-XTEPFMGCSA-N 1 0 441.575 4.151 40 0 IIABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccccc3F)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306137213 568769824 /nfs/dbraw/zinc/76/98/24/568769824.db2.gz QPBNBSHKQYKWLS-GJZUVCINSA-N 1 0 447.558 4.016 40 0 IIABRO Cc1cccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC000306137248 568769917 /nfs/dbraw/zinc/76/99/17/568769917.db2.gz QQMHUOLHBNWISE-SHQCIBLASA-N 1 0 443.595 4.186 40 0 IIABRO Cc1cccc(C)c1OC[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095863090 568792003 /nfs/dbraw/zinc/79/20/03/568792003.db2.gz BTGUKMUBVDODEV-SANMLTNESA-N 1 0 430.592 4.450 40 0 IIABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000328995134 568808843 /nfs/dbraw/zinc/80/88/43/568808843.db2.gz JGMJEQSZYGTSHR-UHFFFAOYSA-N 1 0 441.807 4.119 40 0 IIABRO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@H]43)[nH]n2)cc1 ZINC000257199214 568921921 /nfs/dbraw/zinc/92/19/21/568921921.db2.gz WQOVXVNCVDVXHF-IKVMQTKTSA-N 1 0 432.568 4.121 40 0 IIABRO COCCn1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@@H]43)cc21 ZINC000257199152 568921955 /nfs/dbraw/zinc/92/19/55/568921955.db2.gz UZKDOMKTZBWBIB-CONSUNNSSA-N 1 0 433.596 4.323 40 0 IIABRO FC(F)(F)c1cc(Br)ccc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228934122 569182320 /nfs/dbraw/zinc/18/23/20/569182320.db2.gz GOJXGHVJZVKESZ-UHFFFAOYSA-N 1 0 441.255 4.276 40 0 IIABRO O=C(NCCC[NH+]1CCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000010277059 569222013 /nfs/dbraw/zinc/22/20/13/569222013.db2.gz YDEIOUKNQWIBOT-RUZDIDTESA-N 1 0 437.609 4.067 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000019567055 569227106 /nfs/dbraw/zinc/22/71/06/569227106.db2.gz JWXNIWDAPSUJCI-XMSQKQJNSA-N 1 0 443.613 4.420 40 0 IIABRO Cc1nc([C@H]2CC[N@H+](Cc3cccnc3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695793 569229609 /nfs/dbraw/zinc/22/96/09/569229609.db2.gz REUSHXAFZGKNIZ-QHCPKHFHSA-N 1 0 441.579 4.082 40 0 IIABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019702626 569232314 /nfs/dbraw/zinc/23/23/14/569232314.db2.gz WKPLSTNKBIDUDK-KRWDZBQOSA-N 1 0 449.555 4.312 40 0 IIABRO CCOc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)CCC2 ZINC000019762956 569237696 /nfs/dbraw/zinc/23/76/96/569237696.db2.gz WZUWHTPDYADDMW-JOCHJYFZSA-N 1 0 448.611 4.288 40 0 IIABRO C=C1[NH+]=C(SC)N[C@@H](c2ccc(OCc3ccccc3)c(OC)c2)C1C(=O)OCC ZINC000034879688 569247976 /nfs/dbraw/zinc/24/79/76/569247976.db2.gz WMIFADWGQDLGDB-NRFANRHFSA-N 1 0 426.538 4.475 40 0 IIABRO CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856927 569249206 /nfs/dbraw/zinc/24/92/06/569249206.db2.gz NITZGWKLTPEWQY-UGKGYDQZSA-N 1 0 449.016 4.223 40 0 IIABRO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)C(C)(C)C)cc1C ZINC000009348431 569295694 /nfs/dbraw/zinc/29/56/94/569295694.db2.gz FYLCRYPUYAAHSU-ODAXIHTASA-N 1 0 428.532 4.434 40 0 IIABRO O=C1CCCC[C@@H]2[C@H](CC[N@@H+]2Cc2cncn2Cc2ccccc2)N1Cc1ccccc1 ZINC000019713828 569327829 /nfs/dbraw/zinc/32/78/29/569327829.db2.gz DCMYUTNTKWRABQ-FTJBHMTQSA-N 1 0 428.580 4.477 40 0 IIABRO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@H+](CCc4ccccc4)C3)nc2C)c1 ZINC000019763404 569328881 /nfs/dbraw/zinc/32/88/81/569328881.db2.gz KBZHMFFPPLIWJJ-QHCPKHFHSA-N 1 0 444.579 4.146 40 0 IIABRO Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2cccnc2)nc(NCCC[NH+](C)C)n1 ZINC000329017915 569584028 /nfs/dbraw/zinc/58/40/28/569584028.db2.gz NNSUAQKNDMKRQF-UHFFFAOYSA-N 1 0 446.477 4.853 40 0 IIABRO CC(C)(C)c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]Cc2ccc(-c3ccccc3)cc2)n1 ZINC000005433912 291378825 /nfs/dbraw/zinc/37/88/25/291378825.db2.gz XYLKIHDXJVCYQM-ZCAIMPEWSA-N 1 0 444.579 4.178 40 0 biogenic,in-vitro IIABRO COc1ccccc1-c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)Nc2ccccc2)n(C)n1 ZINC000012602014 291384023 /nfs/dbraw/zinc/38/40/23/291384023.db2.gz HGAGVZOIUSUTDT-DWLFOUALSA-N 1 0 445.567 4.095 40 0 biogenic,in-vitro IIABRO Clc1cccc(N2CCN(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC000001664982 132246412 /nfs/dbraw/zinc/24/64/12/132246412.db2.gz WWXDTRQIBDUJET-UHFFFAOYSA-N 1 0 433.427 4.328 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000012707258 520646428 /nfs/dbraw/zinc/64/64/28/520646428.db2.gz VSIOVJXSGSEAQZ-UHFFFAOYSA-N 1 0 440.519 4.052 40 0 IIABRO CCOc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022074100 520712557 /nfs/dbraw/zinc/71/25/57/520712557.db2.gz FHFMBALTNYBUNK-UHFFFAOYSA-N 1 0 436.955 4.269 40 0 IIABRO CCOc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000023471970 520714353 /nfs/dbraw/zinc/71/43/53/520714353.db2.gz YFYNLXZKEDRHIU-UHFFFAOYSA-N 1 0 439.383 4.393 40 0 IIABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000022531594 521024287 /nfs/dbraw/zinc/02/42/87/521024287.db2.gz FCVFYUZIVYEGOX-JOCHJYFZSA-N 1 0 435.568 4.080 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000012707766 521632530 /nfs/dbraw/zinc/63/25/30/521632530.db2.gz NCEJIGNVRHEXSQ-OAQYLSRUSA-N 1 0 434.540 4.055 40 0 IIABRO CCn1c2ccccc2nc1N1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000012116387 523285726 /nfs/dbraw/zinc/28/57/26/523285726.db2.gz WQFGACIQHBKUCU-UHFFFAOYSA-N 1 0 445.611 4.053 40 0 IIABRO Cn1nnnc1SCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022109232 527659631 /nfs/dbraw/zinc/65/96/31/527659631.db2.gz BKCYDPREMCOEDM-UHFFFAOYSA-N 1 0 438.384 4.368 40 0 IIABRO C=C1[NH+]=C(SC)N[C@H](c2ccc(OCc3ccccc3)c(OC)c2)C1C(=O)OCC ZINC000034879686 555513110 /nfs/dbraw/zinc/51/31/10/555513110.db2.gz WMIFADWGQDLGDB-OAQYLSRUSA-N 1 0 426.538 4.475 40 0 IIABRO COc1ccc(C[N@@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3CCC[C@@H]32)cc1OC ZINC000036719489 556309767 /nfs/dbraw/zinc/30/97/67/556309767.db2.gz UIOSSFKUWOMODX-AQNXPRMDSA-N 1 0 427.541 4.498 40 0 IIABRO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[N@H+](Cc3ccc4nccnc4c3)[C@H]2C1 ZINC000013265842 556501392 /nfs/dbraw/zinc/50/13/92/556501392.db2.gz VYCJVIOSAYZHNC-GCJKJVERSA-N 1 0 440.469 4.385 40 0 IIABRO C[NH2+]CCCNCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000016189382 556588478 /nfs/dbraw/zinc/58/84/78/556588478.db2.gz BVNXKOYAUGVVCR-UHFFFAOYSA-N 1 0 427.770 4.389 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1OC ZINC000019081866 556696794 /nfs/dbraw/zinc/69/67/94/556696794.db2.gz WERUYJYCNVSCAS-AUSIDOKSSA-N 1 0 425.573 4.214 40 0 IIABRO Cc1c([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)c2ccccc2n1C ZINC000019125119 556702813 /nfs/dbraw/zinc/70/28/13/556702813.db2.gz SYZLCWWVGVIYLK-RPWUZVMVSA-N 1 0 434.580 4.488 40 0 IIABRO CCOc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000257214465 556703038 /nfs/dbraw/zinc/70/30/38/556703038.db2.gz CMCNUZPGJTZYLC-OAQYLSRUSA-N 1 0 440.540 4.141 40 0 IIABRO Cc1ccc([C@@H](C)C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCCC3)C4)C2)cc1 ZINC000019135718 556706143 /nfs/dbraw/zinc/70/61/43/556706143.db2.gz CIMBPVAKFYYFRJ-CTNGQTDRSA-N 1 0 448.611 4.301 40 0 IIABRO COCCOc1cc(C[N@@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000257334230 556706355 /nfs/dbraw/zinc/70/63/55/556706355.db2.gz YFCFGRAOKFXGMQ-SANMLTNESA-N 1 0 443.584 4.479 40 0 IIABRO Cc1c(C)n(C[C@@H](O)C[N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)c2ccccc12 ZINC000257220268 556707495 /nfs/dbraw/zinc/70/74/95/556707495.db2.gz DKFIHUSZDSFLKV-QFIPXVFZSA-N 1 0 432.568 4.064 40 0 IIABRO Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)cc1 ZINC000019209726 556708496 /nfs/dbraw/zinc/70/84/96/556708496.db2.gz BLGZPYWRXFKMHY-HSZRJFAPSA-N 1 0 434.584 4.088 40 0 IIABRO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000019213958 556711089 /nfs/dbraw/zinc/71/10/89/556711089.db2.gz ZFIJVCKJLSCBAZ-MHZLTWQESA-N 1 0 428.580 4.331 40 0 IIABRO COc1ccc2[nH]c(C)c([C@@H](O)C[NH+]3CCC4(CC3)C[C@H](O)c3cc(C)ccc3O4)c2c1 ZINC000019219207 556713675 /nfs/dbraw/zinc/71/36/75/556713675.db2.gz WJEYBZOIXSLARQ-GOTSBHOMSA-N 1 0 436.552 4.177 40 0 IIABRO Cc1c2cc(C)ccc2oc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C(C)C)C2 ZINC000019220410 556715171 /nfs/dbraw/zinc/71/51/71/556715171.db2.gz ZXSKBAOOEAWDQF-OAQYLSRUSA-N 1 0 448.567 4.267 40 0 IIABRO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@H](Cc2ccc3nccn3n2)C1 ZINC000257309978 556718466 /nfs/dbraw/zinc/71/84/66/556718466.db2.gz UDDXDAFFZNYPLR-HXUWFJFHSA-N 1 0 428.536 4.096 40 0 IIABRO Cc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019237084 556721882 /nfs/dbraw/zinc/72/18/82/556721882.db2.gz PTJOSJDZVBFFQI-XMMPIXPASA-N 1 0 448.611 4.478 40 0 IIABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000000880598 556732251 /nfs/dbraw/zinc/73/22/51/556732251.db2.gz CQLBOCKVUXYSMN-UHFFFAOYSA-N 1 0 428.989 4.251 40 0 IIABRO Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3cccc(Cl)c3)cc2c1 ZINC000000880577 556732313 /nfs/dbraw/zinc/73/23/13/556732313.db2.gz TXJJNIHBOWSSBS-UHFFFAOYSA-N 1 0 428.989 4.251 40 0 IIABRO O=C(CC1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccs1)CC2 ZINC000019343578 556741443 /nfs/dbraw/zinc/74/14/43/556741443.db2.gz DIEPDINKCLUDTF-OAQYLSRUSA-N 1 0 440.613 4.024 40 0 IIABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc3nccnc3c2)C1)c1cccs1 ZINC000019400623 556753071 /nfs/dbraw/zinc/75/30/71/556753071.db2.gz LEHFGDXBKSYYEZ-CYFREDJKSA-N 1 0 443.576 4.470 40 0 IIABRO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019447330 556756362 /nfs/dbraw/zinc/75/63/62/556756362.db2.gz VDAHMECZVUDPFG-HHHXNRCGSA-N 1 0 428.580 4.351 40 0 IIABRO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H](C)[NH+]4CCCCC4)C3)cc2n1 ZINC000019452380 556763318 /nfs/dbraw/zinc/76/33/18/556763318.db2.gz NYFITACOMNLAHY-JKSUJKDBSA-N 1 0 437.510 4.062 40 0 IIABRO CCCN1CC[N@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502936 556774176 /nfs/dbraw/zinc/77/41/76/556774176.db2.gz KLANHJJNTBESTA-RUZDIDTESA-N 1 0 428.580 4.365 40 0 IIABRO CCCN1CC[N@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503342 556775068 /nfs/dbraw/zinc/77/50/68/556775068.db2.gz DLXOOVCHRAONAN-XMMPIXPASA-N 1 0 428.580 4.365 40 0 IIABRO CCc1ncc(C[N@@H+]2CCC[C@@](Cc3ccccc3-c3ccccc3)(C(=O)NC)C2)cn1 ZINC000019523371 556780706 /nfs/dbraw/zinc/78/07/06/556780706.db2.gz PKFOOAKUJWUMJP-MHZLTWQESA-N 1 0 428.580 4.277 40 0 IIABRO CCn1cc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)c2ccccc21 ZINC000019524766 556782120 /nfs/dbraw/zinc/78/21/20/556782120.db2.gz ZRUNMDXZNHPDSO-DNQXCXABSA-N 1 0 436.552 4.054 40 0 IIABRO CC[NH+](CC)CC(=O)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019526324 556784233 /nfs/dbraw/zinc/78/42/33/556784233.db2.gz PLYBGUKJAGVICO-QFIPXVFZSA-N 1 0 448.546 4.427 40 0 IIABRO CCNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000019528754 556789069 /nfs/dbraw/zinc/78/90/69/556789069.db2.gz GTOFSQUYFYXZJQ-HHHXNRCGSA-N 1 0 446.595 4.057 40 0 IIABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000019532681 556792860 /nfs/dbraw/zinc/79/28/60/556792860.db2.gz KVYPZZFLYAOKGP-FCHUYYIVSA-N 1 0 431.960 4.431 40 0 IIABRO COc1ccc(C[NH+]2CCC([C@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)cc1 ZINC000019554960 556798228 /nfs/dbraw/zinc/79/82/28/556798228.db2.gz YNJLLOZHXISYNX-MHZLTWQESA-N 1 0 429.564 4.402 40 0 IIABRO COc1ccc(C[NH+]2CCC([C@H](NC(=O)C3CCCC3)c3ccccn3)CC2)cc1OC ZINC000019560860 556802290 /nfs/dbraw/zinc/80/22/90/556802290.db2.gz VQQOVWXXNUGCLW-VWLOTQADSA-N 1 0 437.584 4.359 40 0 IIABRO Cc1noc2nc([C@@H]3CCCN(C(=O)C4CC[NH+](C(C)C)CC4)C3)cc(C(F)(F)F)c12 ZINC000019563797 556804512 /nfs/dbraw/zinc/80/45/12/556804512.db2.gz FTEHGULBXMGNEW-MRXNPFEDSA-N 1 0 438.494 4.376 40 0 IIABRO COc1cccc(C(=O)N2CCCC[C@H]3C[N@H+](Cc4ccc5ncccc5c4)C[C@H]32)c1OC ZINC000019567318 556807496 /nfs/dbraw/zinc/80/74/96/556807496.db2.gz UADQPCKKSJOVMQ-XUZZJYLKSA-N 1 0 445.563 4.379 40 0 IIABRO COc1cc(C[NH+]2CCC(c3cc(N(C)C)nc(-c4cccnc4)n3)CC2)cc(OC)c1 ZINC000019584469 556821946 /nfs/dbraw/zinc/82/19/46/556821946.db2.gz YROUHSSSNQJLTO-UHFFFAOYSA-N 1 0 433.556 4.001 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccc(OC)cc2F)C1 ZINC000019591278 556826424 /nfs/dbraw/zinc/82/64/24/556826424.db2.gz BLNLJHKVBBGNEM-HHHXNRCGSA-N 1 0 447.554 4.467 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccccc2OC)C1 ZINC000019591310 556826483 /nfs/dbraw/zinc/82/64/83/556826483.db2.gz LRWSXRUUEZJFEH-HHHXNRCGSA-N 1 0 429.564 4.328 40 0 IIABRO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(c2ccc(-c3cncnc3)cn2)CC1 ZINC000019687991 556842445 /nfs/dbraw/zinc/84/24/45/556842445.db2.gz BHVVCAJCMWBMGI-UHFFFAOYSA-N 1 0 429.568 4.155 40 0 IIABRO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@@H+]3Cc3c[nH]nc3C(C)(C)C)c2)cn1 ZINC000019690844 556846544 /nfs/dbraw/zinc/84/65/44/556846544.db2.gz INRXHOKOYAWQKG-QFIPXVFZSA-N 1 0 432.572 4.169 40 0 IIABRO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019761761 556905337 /nfs/dbraw/zinc/90/53/37/556905337.db2.gz GUCDRAUADFALMD-OAQYLSRUSA-N 1 0 439.563 4.185 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cc1 ZINC000072330469 556905735 /nfs/dbraw/zinc/90/57/35/556905735.db2.gz BUOPIQIXEGJGMJ-KCWPFWIISA-N 1 0 429.564 4.402 40 0 IIABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330465 556905886 /nfs/dbraw/zinc/90/58/86/556905886.db2.gz KPSGNWCGUSETNL-KCWPFWIISA-N 1 0 429.564 4.402 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1 ZINC000072330542 556906303 /nfs/dbraw/zinc/90/63/03/556906303.db2.gz FAPFMKBZDUMDCB-LVXARBLLSA-N 1 0 445.563 4.482 40 0 IIABRO C[C@H](C(=O)Nc1ccc(CC[C@H]2CC[N@H+](C)C[C@H]2C)cc1)c1n[nH]c(=O)c2ccccc21 ZINC000072335305 556907949 /nfs/dbraw/zinc/90/79/49/556907949.db2.gz RAZNZCDJPFHABZ-HBFSDRIKSA-N 1 0 432.568 4.186 40 0 IIABRO C=C1[NH+]=C(SCc2cc(OC)ccc2OC)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408988340 556910184 /nfs/dbraw/zinc/91/01/84/556910184.db2.gz HRLLERFZGDONON-NRFANRHFSA-N 1 0 426.538 4.475 40 0 IIABRO O=C(C[N@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCCCC1 ZINC000072359371 556932528 /nfs/dbraw/zinc/93/25/28/556932528.db2.gz DEIAHEQWDJCRDB-SFHVURJKSA-N 1 0 432.490 4.354 40 0 IIABRO COc1ccc(C[NH+]2CCC([C@@]3(C)CCCCN(C)C3=O)CC2)cc1Cn1ccnc1C ZINC000072372050 556941566 /nfs/dbraw/zinc/94/15/66/556941566.db2.gz VBNYPTLVJCAHBU-AREMUKBSSA-N 1 0 438.616 4.109 40 0 IIABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@@H]2NC(=O)C(C)C ZINC000072373146 556945348 /nfs/dbraw/zinc/94/53/48/556945348.db2.gz NDQNERDUFDHKSZ-CERRFVOPSA-N 1 0 447.623 4.089 40 0 IIABRO COc1cc2c(cc1C[NH+]1CCC(c3ccc(Nc4ccccn4)cn3)CC1)OCCO2 ZINC000072374325 556947716 /nfs/dbraw/zinc/94/77/16/556947716.db2.gz SAXJOAWWBHPURN-UHFFFAOYSA-N 1 0 432.524 4.380 40 0 IIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2)n1 ZINC000072374885 556949462 /nfs/dbraw/zinc/94/94/62/556949462.db2.gz GPCXXFFYDIYQRY-LJQANCHMSA-N 1 0 437.569 4.109 40 0 IIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cccc(Nc4ccccn4)n3)C1)OCCO2 ZINC000072376102 556953875 /nfs/dbraw/zinc/95/38/75/556953875.db2.gz YBPWXPCQXPFSBP-GOSISDBHSA-N 1 0 432.524 4.380 40 0 IIABRO Cc1nc(C2CC[NH+](Cc3cccnc3)CC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000072380067 556957551 /nfs/dbraw/zinc/95/75/51/556957551.db2.gz RFZAWCYBOYQFMB-UHFFFAOYSA-N 1 0 441.579 4.082 40 0 IIABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4oc5ccccc5c4C)C[C@H]32)c(OCC)n1 ZINC000072392657 556963975 /nfs/dbraw/zinc/96/39/75/556963975.db2.gz WGLCCCMEXPOPAF-WVFSIPRWSA-N 1 0 437.540 4.058 40 0 IIABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2cncn2CC)C1 ZINC000072394075 556965575 /nfs/dbraw/zinc/96/55/75/556965575.db2.gz HKJIIOXFIROZNZ-RUZDIDTESA-N 1 0 436.556 4.254 40 0 IIABRO Cc1cc2c(cc1C[NH+]1CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC1)OCO2 ZINC000072394594 556965833 /nfs/dbraw/zinc/96/58/33/556965833.db2.gz XGMNGQROPJGUEX-FQEVSTJZSA-N 1 0 429.586 4.296 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1OC ZINC000072398580 556969997 /nfs/dbraw/zinc/96/99/97/556969997.db2.gz WERUYJYCNVSCAS-XXBNENTESA-N 1 0 425.573 4.214 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(F)c1 ZINC000072398672 556970730 /nfs/dbraw/zinc/97/07/30/556970730.db2.gz CAXKFEMWOMWQSU-CYFREDJKSA-N 1 0 434.515 4.008 40 0 IIABRO COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000006297130 557150874 /nfs/dbraw/zinc/15/08/74/557150874.db2.gz XHMTWPJWQXJMMJ-UHFFFAOYSA-N 1 0 448.386 4.180 40 0 IIABRO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000096080829 557168650 /nfs/dbraw/zinc/16/86/50/557168650.db2.gz IOXUDIDTWOVGEN-PSWAGMNNSA-N 1 0 432.589 4.071 40 0 IIABRO OC1(COc2cccc(Cl)c2)CC[NH+](Cc2cccc(OCCn3ccnc3)c2)CC1 ZINC000585272458 557217321 /nfs/dbraw/zinc/21/73/21/557217321.db2.gz NIWAKFLTSONTSS-UHFFFAOYSA-N 1 0 441.959 4.021 40 0 IIABRO COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)n2)cc1 ZINC000219236626 557232598 /nfs/dbraw/zinc/23/25/98/557232598.db2.gz MXGASCRQNAIXIE-UHFFFAOYSA-N 1 0 434.540 4.249 40 0 IIABRO COCCOc1cccc(C[NH2+]C[C@H]2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)CC2)c1 ZINC000100658023 557268125 /nfs/dbraw/zinc/26/81/25/557268125.db2.gz GFALESGGTMRRHE-TYKWCNGQSA-N 1 0 447.579 4.423 40 0 IIABRO COC(=O)C1CCN(C(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000219962670 557272729 /nfs/dbraw/zinc/27/27/29/557272729.db2.gz RAGCKGHCYKIORX-UHFFFAOYSA-N 1 0 434.580 4.167 40 0 IIABRO c1csc([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000022930085 557274737 /nfs/dbraw/zinc/27/47/37/557274737.db2.gz AFRCKWVTYQNNSP-HSZRJFAPSA-N 1 0 436.629 4.017 40 0 IIABRO COc1ccc(-c2cccc(C[N@H+](CCCN3CCOCC3)Cc3cccnc3)c2)cc1 ZINC000013569069 557347450 /nfs/dbraw/zinc/34/74/50/557347450.db2.gz AJMDCUVVRGJZAQ-UHFFFAOYSA-N 1 0 431.580 4.482 40 0 IIABRO CN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222597086 557358433 /nfs/dbraw/zinc/35/84/33/557358433.db2.gz UCDRXDSDDSGTKF-MRXNPFEDSA-N 1 0 430.961 4.322 40 0 IIABRO CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222601514 557359775 /nfs/dbraw/zinc/35/97/75/557359775.db2.gz GZBRFVPPOCQXHP-KRWDZBQOSA-N 1 0 442.922 4.400 40 0 IIABRO CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222601452 557359815 /nfs/dbraw/zinc/35/98/15/557359815.db2.gz GZBRFVPPOCQXHP-QGZVFWFLSA-N 1 0 442.922 4.400 40 0 IIABRO O[C@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000040373152 557414601 /nfs/dbraw/zinc/41/46/01/557414601.db2.gz PGKFQFVOGGTPJW-MHZLTWQESA-N 1 0 430.592 4.014 40 0 IIABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1ccccc1 ZINC000223264912 557452495 /nfs/dbraw/zinc/45/24/95/557452495.db2.gz UQULYISCDCYNLV-DNQXCXABSA-N 1 0 433.625 4.082 40 0 IIABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1ccccc1 ZINC000223265016 557452946 /nfs/dbraw/zinc/45/29/46/557452946.db2.gz UQULYISCDCYNLV-BJKOFHAPSA-N 1 0 433.625 4.082 40 0 IIABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1(c2ccccc2F)CCOCC1 ZINC000225571793 557744673 /nfs/dbraw/zinc/74/46/73/557744673.db2.gz LUTKJUCPIXQEIF-UHFFFAOYSA-N 1 0 426.532 4.377 40 0 IIABRO CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCCN3CCOCC3)c2)cc1 ZINC000225585855 557747637 /nfs/dbraw/zinc/74/76/37/557747637.db2.gz GBHCSCOAZRGZQB-UHFFFAOYSA-N 1 0 439.625 4.224 40 0 IIABRO COc1ccc(-c2nnc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)s2)cc1 ZINC000225728027 557769608 /nfs/dbraw/zinc/76/96/08/557769608.db2.gz YQMLGRHHVDRPRG-QGZVFWFLSA-N 1 0 426.517 4.204 40 0 IIABRO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3ccc(OCc4nccn4C)cc3)CC2)c(C)c1 ZINC000585270583 568617116 /nfs/dbraw/zinc/61/71/16/568617116.db2.gz MTDMNJXWCWMNSR-HHHXNRCGSA-N 1 0 449.595 4.412 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000057774049 568625954 /nfs/dbraw/zinc/62/59/54/568625954.db2.gz RRNLSRWDBCCRJH-UQBPGWFLSA-N 1 0 425.573 4.214 40 0 IIABRO CCOc1ccc(C[NH+]2CCC(c3cncc(Nc4ncccc4C)n3)CC2)cc1CO ZINC000257203053 568666785 /nfs/dbraw/zinc/66/67/85/568666785.db2.gz AOMMGIZREBKNCS-UHFFFAOYSA-N 1 0 433.556 4.194 40 0 IIABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)CCn4ccccc4=O)C3)c2)cc1 ZINC000257219791 568674491 /nfs/dbraw/zinc/67/44/91/568674491.db2.gz DIDVJDNBWREBEO-FQEVSTJZSA-N 1 0 446.551 4.100 40 0 IIABRO COc1ccccc1-c1cccc(C[N@@H+]2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257228150 568678265 /nfs/dbraw/zinc/67/82/65/568678265.db2.gz FSOCIMKXMRZDKX-NRFANRHFSA-N 1 0 428.536 4.096 40 0 IIABRO Cn1nc([C@@H]2CN(Cc3ccncc3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 ZINC000257236611 568682218 /nfs/dbraw/zinc/68/22/18/568682218.db2.gz HCYZRXNZCLXBOX-QFIPXVFZSA-N 1 0 446.473 4.029 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257250001 568688740 /nfs/dbraw/zinc/68/87/40/568688740.db2.gz JKOVSXISKMEJLD-FQEVSTJZSA-N 1 0 433.531 4.188 40 0 IIABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(CC(=O)Nc4cnn(C)c4C)C3)c2)c1 ZINC000257252608 568689829 /nfs/dbraw/zinc/68/98/29/568689829.db2.gz JVKFRESFMWOGPJ-IBGZPJMESA-N 1 0 448.571 4.002 40 0 IIABRO Cc1nc2cc([C@@H]3CC[N@H+](Cc4ccccc4)C3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257254770 568690647 /nfs/dbraw/zinc/69/06/47/568690647.db2.gz KEOSTFFZJHYLTF-JOCHJYFZSA-N 1 0 445.611 4.327 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCC[C@@]2(CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000257263369 568694632 /nfs/dbraw/zinc/69/46/32/568694632.db2.gz LPNOMODPQUTIHF-MHZLTWQESA-N 1 0 447.579 4.300 40 0 IIABRO Cc1nc2cc([C@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257293007 568708181 /nfs/dbraw/zinc/70/81/81/568708181.db2.gz QNTZVGKVUYRKCU-ZJSXRUAMSA-N 1 0 435.616 4.298 40 0 IIABRO Cc1nc2cc([C@@H]3CCCN3Cc3ccncc3)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000257295127 568708827 /nfs/dbraw/zinc/70/88/27/568708827.db2.gz QXBNIZSOUXGKFU-DEOSSOPVSA-N 1 0 446.599 4.023 40 0 IIABRO Cc1cccc2nc(C(=O)N3[C@@H]4CCCC[C@@H]5[NH2+][C@@H](C[C@@]54C)[C@@H]3Cc3ccccc3)cn21 ZINC000257302087 568712216 /nfs/dbraw/zinc/71/22/16/568712216.db2.gz SBKYOCGBHCZTOI-MDUJKUHBSA-N 1 0 428.580 4.389 40 0 IIABRO Cc1cccn2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCC[C@H]5[N@H+](C)[C@@H]4Cc3ccccc3)nc12 ZINC000257315469 568718067 /nfs/dbraw/zinc/71/80/67/568718067.db2.gz VBNHDNTZKDPUMU-KLWMKENUSA-N 1 0 428.580 4.341 40 0 IIABRO CCn1nc(C)c(C[N@@H+]2CC[C@@H](c3nc(N(C)C)ncc3-c3ccc(OC)cc3)C2)c1C ZINC000257344394 568730417 /nfs/dbraw/zinc/73/04/17/568730417.db2.gz ZXANZRRTPQCZKS-HXUWFJFHSA-N 1 0 434.588 4.041 40 0 IIABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1cccc(Cl)c1)C[C@H]2c1cccnc1 ZINC000306127557 568764685 /nfs/dbraw/zinc/76/46/85/568764685.db2.gz GBWDKXHDCFSKEL-AZGAKELHSA-N 1 0 447.966 4.132 40 0 IIABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1cccc(Cl)c1)C[C@H]2c1cccnc1 ZINC000306127555 568764706 /nfs/dbraw/zinc/76/47/06/568764706.db2.gz GBWDKXHDCFSKEL-AHWVRZQESA-N 1 0 447.966 4.132 40 0 IIABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306127773 568764909 /nfs/dbraw/zinc/76/49/09/568764909.db2.gz GHJFXWXSYPYRLI-RDPSFJRHSA-N 1 0 426.992 4.346 40 0 IIABRO O=C(Nc1ccccc1)c1nnc2n1CC[C@H]1C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000306133661 568767962 /nfs/dbraw/zinc/76/79/62/568767962.db2.gz MSJWOUXTXWFIFV-QFBILLFUSA-N 1 0 441.457 4.169 40 0 IIABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306137212 568769966 /nfs/dbraw/zinc/76/99/66/568769966.db2.gz QPBNBSHKQYKWLS-BKMJKUGQSA-N 1 0 447.558 4.016 40 0 IIABRO C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)n1 ZINC000328958462 568807457 /nfs/dbraw/zinc/80/74/57/568807457.db2.gz AOWGUFNSHDCPHZ-UHFFFAOYSA-N 1 0 435.881 4.377 40 0 IIABRO C[C@]1(N(CC[NH2+]Cc2ccccc2Cl)Cc2ccccc2Cl)CCS(=O)(=O)C1 ZINC000575420041 568863303 /nfs/dbraw/zinc/86/33/03/568863303.db2.gz DQZVFHXIOQDRME-NRFANRHFSA-N 1 0 441.424 4.162 40 0 IIABRO COc1ccccc1-c1n[nH]cc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198984 568921748 /nfs/dbraw/zinc/92/17/48/568921748.db2.gz NYFNOLMYHKOVBN-CFGBTRHTSA-N 1 0 432.568 4.121 40 0 IIABRO O=C(c1ccc(Nc2ncccn2)cc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199312 568921938 /nfs/dbraw/zinc/92/19/38/568921938.db2.gz ZBKDYXFBRCYKLP-XWVZOOPGSA-N 1 0 429.568 4.255 40 0 IIABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1)[C@H]1CCCO1 ZINC000247522802 569205908 /nfs/dbraw/zinc/20/59/08/569205908.db2.gz YHUKXGSHORGOJF-BWAGFHJFSA-N 1 0 447.501 4.349 40 0 IIABRO COc1ccc(C[N@@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3CCC[C@H]32)cc1OC ZINC000247910161 569206275 /nfs/dbraw/zinc/20/62/75/569206275.db2.gz UIOSSFKUWOMODX-XUVXKRRUSA-N 1 0 427.541 4.498 40 0 IIABRO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000012157813 569224938 /nfs/dbraw/zinc/22/49/38/569224938.db2.gz HPDFJXXPPNBDQC-IVFUSOGKSA-N 1 0 448.592 4.443 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1OC ZINC000019567744 569226986 /nfs/dbraw/zinc/22/69/86/569226986.db2.gz FJRRBMMJYXDOIQ-WIYYLYMNSA-N 1 0 443.613 4.420 40 0 IIABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019570229 569227076 /nfs/dbraw/zinc/22/70/76/569227076.db2.gz KPSGNWCGUSETNL-WNCULLNHSA-N 1 0 429.564 4.402 40 0 IIABRO Cc1nc([C@]2(O)CCC[N@H+](Cc3cccnc3)CC2)sc1CCOc1ccccc1F ZINC000019696259 569229619 /nfs/dbraw/zinc/22/96/19/569229619.db2.gz RKOOLFCJNADFEO-DEOSSOPVSA-N 1 0 441.572 4.481 40 0 IIABRO Cc1nc([C@]2(O)CCC[N@H+](Cc3cccnc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704899 569233834 /nfs/dbraw/zinc/23/38/34/569233834.db2.gz FSJRCWBWEHSKCN-DEOSSOPVSA-N 1 0 441.572 4.481 40 0 IIABRO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2F)cc1CO ZINC000019713178 569235453 /nfs/dbraw/zinc/23/54/53/569235453.db2.gz ITNPPLZEYDTDNW-RPWUZVMVSA-N 1 0 440.559 4.262 40 0 IIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ncc(C(=O)N4CCCCC4)c(C)n3)C1)CCC2 ZINC000019763143 569237859 /nfs/dbraw/zinc/23/78/59/569237859.db2.gz SAMZNSVFAOZLED-QFIPXVFZSA-N 1 0 448.611 4.288 40 0 IIABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019765346 569238842 /nfs/dbraw/zinc/23/88/42/569238842.db2.gz OBXSALRUSGZSJK-OAQYLSRUSA-N 1 0 448.542 4.242 40 0 IIABRO COC(=O)c1ccccc1NC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020241819 569241137 /nfs/dbraw/zinc/24/11/37/569241137.db2.gz WELCFTZQCONCQO-UHFFFAOYSA-N 1 0 443.547 4.043 40 0 IIABRO COc1cc(/C=C2/SC(=N)N(c3nccs3)C2=O)ccc1OCC[NH+]1CCCCC1 ZINC000008780839 569290541 /nfs/dbraw/zinc/29/05/41/569290541.db2.gz PVVSGVYPQZDSMK-JZULZFIZSA-N 1 0 444.582 4.072 40 0 IIABRO CNC(=O)c1cc([C@H]2CC[N@H+](Cc3cccc(Oc4ncccn4)c3)C2)nc2ccccc21 ZINC000019761924 569328786 /nfs/dbraw/zinc/32/87/86/569328786.db2.gz WSJPACKPFMOWHF-IBGZPJMESA-N 1 0 439.519 4.166 40 0 IIABRO COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]CCN(C)C)C=C3C)o2)cc1 ZINC000030883211 291383211 /nfs/dbraw/zinc/38/32/11/291383211.db2.gz KIDBTOYAPBICSU-FUDKSRODSA-N 1 0 426.605 4.294 40 0 biogenic,in-vitro IIABRO COc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000022075732 522451655 /nfs/dbraw/zinc/45/16/55/522451655.db2.gz FUPWYEDRZSITSQ-UHFFFAOYSA-N 1 0 425.356 4.003 40 0 IIABRO COCC[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc(N(C)C)cc3)o2)C[C@H]1C(C)C ZINC000035442678 523940153 /nfs/dbraw/zinc/94/01/53/523940153.db2.gz ZCZZAFKILNMLKY-FUDKSRODSA-N 1 0 426.605 4.436 40 0 biogenic,in-vitro IIABRO COc1ccccc1NC(=O)N(CC[NH+]1CCCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000012706569 524608532 /nfs/dbraw/zinc/60/85/32/524608532.db2.gz CTGMOYHPFCGRMA-UHFFFAOYSA-N 1 0 448.567 4.283 40 0 IIABRO O[C@@H](COCCOC12CC3CC(CC(C3)C1)C2)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000041689907 527657844 /nfs/dbraw/zinc/65/78/44/527657844.db2.gz DCNIKVTYCHLSGM-XKRCLBNNSA-N 1 0 427.629 4.304 40 0 IIABRO CC[NH+](CC)C1CCC([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)CC1 ZINC000005807567 556066361 /nfs/dbraw/zinc/06/63/61/556066361.db2.gz OHPQBXGMPNAMEP-FMRKOBQXSA-N 1 0 430.589 4.086 40 0 IIABRO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2C)c1 ZINC000010112040 556325937 /nfs/dbraw/zinc/32/59/37/556325937.db2.gz IJVQXYDPJQCGCQ-UHFFFAOYSA-N 1 0 443.613 4.018 40 0 IIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013612367 556534738 /nfs/dbraw/zinc/53/47/38/556534738.db2.gz OHIVQXQBIUZTQW-JOCHJYFZSA-N 1 0 443.613 4.180 40 0 IIABRO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Br)c1OCc1ccc(F)cc1 ZINC000016611366 556618091 /nfs/dbraw/zinc/61/80/91/556618091.db2.gz QYTQTUFWKUKJBB-QGZVFWFLSA-N 1 0 426.326 4.426 40 0 IIABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856981 556672830 /nfs/dbraw/zinc/67/28/30/556672830.db2.gz ONAICEYYTDMUCT-QFIPXVFZSA-N 1 0 449.016 4.223 40 0 IIABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019081821 556696406 /nfs/dbraw/zinc/69/64/06/556696406.db2.gz NHCVPLXYQUOXQQ-WZONZLPQSA-N 1 0 425.573 4.214 40 0 IIABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019081823 556696463 /nfs/dbraw/zinc/69/64/63/556696463.db2.gz NHCVPLXYQUOXQQ-FDDCHVKYSA-N 1 0 425.573 4.214 40 0 IIABRO COc1ccc(OC)c(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1 ZINC000019082009 556696749 /nfs/dbraw/zinc/69/67/49/556696749.db2.gz CNQZHSKWZLNKAF-QHCPKHFHSA-N 1 0 425.573 4.214 40 0 IIABRO COc1ccccc1-c1cccc(C[C@]2(C(=O)NCC[NH+]3CCC(C)CC3)CCCO2)c1 ZINC000257327715 556705181 /nfs/dbraw/zinc/70/51/81/556705181.db2.gz XCJLQWZYNMVYKB-MHZLTWQESA-N 1 0 436.596 4.302 40 0 IIABRO Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)cc1 ZINC000019209734 556708425 /nfs/dbraw/zinc/70/84/25/556708425.db2.gz BBIKJUPRUVNFHI-DEOSSOPVSA-N 1 0 448.611 4.478 40 0 IIABRO CN([C@H]1CCC[N@H+](Cc2ccccc2N2CCCC2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000257269492 556713350 /nfs/dbraw/zinc/71/33/50/556713350.db2.gz MQGCILQSFDXSMP-DEOSSOPVSA-N 1 0 441.641 4.103 40 0 IIABRO COc1ccc(F)cc1-c1ccc(CC2(C(=O)N[C@@H]3CCC[N@H+](C)C3)CCOCC2)cc1 ZINC000257267758 556713435 /nfs/dbraw/zinc/71/34/35/556713435.db2.gz MIQFSZAEBZYQDF-JOCHJYFZSA-N 1 0 440.559 4.051 40 0 IIABRO COc1ccc2[nH]c(C)c([C@@H](O)C[NH+]3CCC4(CC3)C[C@@H](O)c3cc(C)ccc3O4)c2c1 ZINC000019219201 556713662 /nfs/dbraw/zinc/71/36/62/556713662.db2.gz WJEYBZOIXSLARQ-PKTZIBPZSA-N 1 0 436.552 4.177 40 0 IIABRO COc1ccc2[nH]c(C)c([C@H](O)C[NH+]3CCC4(CC3)C[C@H](O)c3cc(C)ccc3O4)c2c1 ZINC000019219210 556713847 /nfs/dbraw/zinc/71/38/47/556713847.db2.gz WJEYBZOIXSLARQ-XZOQPEGZSA-N 1 0 436.552 4.177 40 0 IIABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@](C(=O)N(C)C)(c2ccccn2)C1 ZINC000257286856 556715715 /nfs/dbraw/zinc/71/57/15/556715715.db2.gz PNIMGOKHRXAVTB-MHZLTWQESA-N 1 0 429.564 4.379 40 0 IIABRO O=C(c1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019342683 556740254 /nfs/dbraw/zinc/74/02/54/556740254.db2.gz NCMBJJLNXQQLFH-IBGZPJMESA-N 1 0 426.586 4.302 40 0 IIABRO CCc1ccccc1NC(=S)N(CC[NH+](C)C)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000894977 556740761 /nfs/dbraw/zinc/74/07/61/556740761.db2.gz SFBMSOGZCIBHMK-UHFFFAOYSA-N 1 0 436.625 4.468 40 0 IIABRO O=C(c1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019406406 556755246 /nfs/dbraw/zinc/75/52/46/556755246.db2.gz DIDSPULDSFFXPE-OAQYLSRUSA-N 1 0 440.613 4.137 40 0 IIABRO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019447338 556756722 /nfs/dbraw/zinc/75/67/22/556756722.db2.gz UFAJGKVXDJKOHU-HHHXNRCGSA-N 1 0 428.580 4.351 40 0 IIABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019448949 556759083 /nfs/dbraw/zinc/75/90/83/556759083.db2.gz XRLQRDYCYHBKCE-MHZLTWQESA-N 1 0 428.580 4.493 40 0 IIABRO C/C(=C\c1ccccc1)C[N@H+]1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019450109 556761006 /nfs/dbraw/zinc/76/10/06/556761006.db2.gz RBUXPDNMUYDAGT-MOVXLXCVSA-N 1 0 447.627 4.110 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000019454028 556764604 /nfs/dbraw/zinc/76/46/04/556764604.db2.gz LBAYCKXWRSDZMR-HHHXNRCGSA-N 1 0 443.595 4.233 40 0 IIABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)Cc4ccccc4)[nH]c(=O)c3C2)CC1 ZINC000019495995 556768634 /nfs/dbraw/zinc/76/86/34/556768634.db2.gz CVJPRUAGPZDJBK-PXLSRWGNSA-N 1 0 434.584 4.025 40 0 IIABRO CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@H+](Cc2cnc(CC)nc2)C1 ZINC000019523315 556780560 /nfs/dbraw/zinc/78/05/60/556780560.db2.gz OBANFLHXEPGQOO-MHZLTWQESA-N 1 0 428.580 4.277 40 0 IIABRO CCn1cc(C[N@@H+]2CCC[C@@](Cc3ccccc3-c3cccnc3)(C(=O)NC(C)C)C2)cn1 ZINC000019524906 556782456 /nfs/dbraw/zinc/78/24/56/556782456.db2.gz ZGUDXKBNFLJXNL-MHZLTWQESA-N 1 0 445.611 4.315 40 0 IIABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000019532677 556792892 /nfs/dbraw/zinc/79/28/92/556792892.db2.gz KVYPZZFLYAOKGP-FGZHOGPDSA-N 1 0 431.960 4.431 40 0 IIABRO COc1ccc(C2([NH2+]Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)CCCC2)cc1 ZINC000019553807 556797509 /nfs/dbraw/zinc/79/75/09/556797509.db2.gz DKVQJJAKBRWDEA-UHFFFAOYSA-N 1 0 447.579 4.068 40 0 IIABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000019562189 556803541 /nfs/dbraw/zinc/80/35/41/556803541.db2.gz OEIARFRPPRTDFJ-UXHICEINSA-N 1 0 438.351 4.386 40 0 IIABRO COc1cccc(C[N@@H+]2C[C@@H](c3cc(F)cc(F)c3)[C@]3(C2)CCCCC(=O)N3)c1OC ZINC000019568097 556808092 /nfs/dbraw/zinc/80/80/92/556808092.db2.gz RIJQCHFIQOSPTN-GBXCKJPGSA-N 1 0 430.495 4.010 40 0 IIABRO COc1ccccc1C[N@@H+]1CC[C@](Cc2ccc(-c3ccccc3OC)cc2)(C(N)=O)C1 ZINC000019570013 556810196 /nfs/dbraw/zinc/81/01/96/556810196.db2.gz HQLGHYVOMDKQTA-HHHXNRCGSA-N 1 0 430.548 4.291 40 0 IIABRO Cc1cc(C)c2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=S)NC3CCCCC3)cc2c1 ZINC000004161991 556820279 /nfs/dbraw/zinc/82/02/79/556820279.db2.gz WAANROWYFZUVPO-UHFFFAOYSA-N 1 0 428.646 4.106 40 0 IIABRO CCCCNC(=S)N(CCC[NH+](CC)CC)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004162030 556820523 /nfs/dbraw/zinc/82/05/23/556820523.db2.gz DBMNJZLRXBAOBF-UHFFFAOYSA-N 1 0 430.662 4.353 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000019591732 556827506 /nfs/dbraw/zinc/82/75/06/556827506.db2.gz DNNSNWMSWKQQFX-MUUNZHRXSA-N 1 0 436.559 4.478 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccncc3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695720 556852405 /nfs/dbraw/zinc/85/24/05/556852405.db2.gz UNIFSOZCYLFWNR-NRFANRHFSA-N 1 0 445.542 4.178 40 0 IIABRO CN(C)c1cc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)nc(C2CC[NH2+]CC2)n1 ZINC000019710136 556871854 /nfs/dbraw/zinc/87/18/54/556871854.db2.gz FSSBFHWMEXXLPO-UHFFFAOYSA-N 1 0 445.567 4.074 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)nc2c1CCC(=O)N2C ZINC000019741531 556883851 /nfs/dbraw/zinc/88/38/51/556883851.db2.gz RIHFMVATXGHWRO-NRFANRHFSA-N 1 0 427.552 4.136 40 0 IIABRO CC(C)(C)SCCNC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408926085 556892175 /nfs/dbraw/zinc/89/21/75/556892175.db2.gz OESHJPPZIQWHGI-UHFFFAOYSA-N 1 0 425.642 4.266 40 0 IIABRO O=C(NCCCc1ccc(F)cc1)c1ccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019752765 556896493 /nfs/dbraw/zinc/89/64/93/556896493.db2.gz ZHSBDNMKWRDOCD-JOCHJYFZSA-N 1 0 432.543 4.358 40 0 IIABRO Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)n1 ZINC000019754924 556898056 /nfs/dbraw/zinc/89/80/56/556898056.db2.gz MIVWRUSMWUEBFU-UHFFFAOYSA-N 1 0 434.569 4.065 40 0 IIABRO Cn1cc(C(=O)NCc2ccccc2)c(CC2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000019756294 556900025 /nfs/dbraw/zinc/90/00/25/556900025.db2.gz UVFUJRVJUNBEHX-UHFFFAOYSA-N 1 0 436.987 4.458 40 0 IIABRO Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](c2ncc(C(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000019758080 556901830 /nfs/dbraw/zinc/90/18/30/556901830.db2.gz IHNHYNKNDCIGDE-SFHVURJKSA-N 1 0 444.514 4.122 40 0 IIABRO Cc1ncc(C[NH+]2CCC3(C[C@@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)cn1 ZINC000072327243 556903671 /nfs/dbraw/zinc/90/36/71/556903671.db2.gz YKBFYENQMLKHFW-DEOSSOPVSA-N 1 0 435.959 4.305 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1OC ZINC000072341428 556913682 /nfs/dbraw/zinc/91/36/82/556913682.db2.gz FJRRBMMJYXDOIQ-RXVVDRJESA-N 1 0 443.613 4.420 40 0 IIABRO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349738 556919679 /nfs/dbraw/zinc/91/96/79/556919679.db2.gz PSSBWKTULNFZKQ-IBGZPJMESA-N 1 0 431.502 4.493 40 0 IIABRO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@@H+](CC(=O)N(C)C4CCCCC4)C3)nc2)n1 ZINC000072353274 556926238 /nfs/dbraw/zinc/92/62/38/556926238.db2.gz WXZPKCLJVSINHT-HXUWFJFHSA-N 1 0 436.604 4.203 40 0 IIABRO CC1(C)CC(CC(=O)N2CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C2)CC(C)(C)[NH2+]1 ZINC000072353431 556926487 /nfs/dbraw/zinc/92/64/87/556926487.db2.gz JZLVGGVKMWFINM-LJQANCHMSA-N 1 0 436.604 4.268 40 0 IIABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)CC1 ZINC000072359792 556932876 /nfs/dbraw/zinc/93/28/76/556932876.db2.gz QSNNWAFYJGWFGS-GOSISDBHSA-N 1 0 432.490 4.353 40 0 IIABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)CC1 ZINC000072359853 556933141 /nfs/dbraw/zinc/93/31/41/556933141.db2.gz LXEOCJDOFDWRPI-SFHVURJKSA-N 1 0 432.490 4.210 40 0 IIABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409056012 556933877 /nfs/dbraw/zinc/93/38/77/556933877.db2.gz LXXOLWZBFYITMX-ZCEBDVNOSA-O 1 0 439.322 4.010 40 0 IIABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409058143 556935249 /nfs/dbraw/zinc/93/52/49/556935249.db2.gz INWKZZVDHIDXSF-MAEDJNRBSA-O 1 0 439.322 4.010 40 0 IIABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000072370731 556936392 /nfs/dbraw/zinc/93/63/92/556936392.db2.gz XWAYTHFEVIEPFV-SFHVURJKSA-N 1 0 437.613 4.104 40 0 IIABRO Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)c1 ZINC000409073779 556946800 /nfs/dbraw/zinc/94/68/00/556946800.db2.gz SZUNWUSQLNRCPF-JLUQKLKGSA-O 1 0 426.540 4.135 40 0 IIABRO Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCCN4C)C2)[nH+]1 ZINC000072375079 556950800 /nfs/dbraw/zinc/95/08/00/556950800.db2.gz VLXWESJCWCXKID-OAQYLSRUSA-N 1 0 442.567 4.326 40 0 IIABRO O=C(c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCOCC1 ZINC000072380039 556957261 /nfs/dbraw/zinc/95/72/61/556957261.db2.gz KGYVMSNTJPCHEA-FQEVSTJZSA-N 1 0 435.593 4.366 40 0 IIABRO O=C(Cc1cn2ccsc2n1)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393400 556964264 /nfs/dbraw/zinc/96/42/64/556964264.db2.gz PLRYREZZESXFRT-UHFFFAOYSA-N 1 0 443.016 4.294 40 0 IIABRO Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@H](C)C[NH+]4CCOCC4)C3)c(-c3ccncc3)c2c1 ZINC000072396801 556969575 /nfs/dbraw/zinc/96/95/75/556969575.db2.gz QFFSHVZPXSHDER-IRLDBZIGSA-N 1 0 446.595 4.213 40 0 IIABRO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CO2 ZINC000072398603 556970389 /nfs/dbraw/zinc/97/03/89/556970389.db2.gz HREILENEUGTJQZ-CPJSRVTESA-N 1 0 449.595 4.482 40 0 IIABRO O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]21)c1ccsc1 ZINC000585110118 557042504 /nfs/dbraw/zinc/04/25/04/557042504.db2.gz KYRSVJHUZLYXSL-FCHUYYIVSA-N 1 0 431.561 4.172 40 0 IIABRO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000005092134 557047979 /nfs/dbraw/zinc/04/79/79/557047979.db2.gz MYCKDCIJPLTQDW-OWJWWREXSA-N 1 0 427.545 4.192 40 0 IIABRO CCOc1cc(C[NH2+]CCN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000023471985 557093637 /nfs/dbraw/zinc/09/36/37/557093637.db2.gz RISRUYQNEXHLTJ-UHFFFAOYSA-N 1 0 439.383 4.393 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NCc1ccccc1 ZINC000006193447 557148450 /nfs/dbraw/zinc/14/84/50/557148450.db2.gz PQXFQRWDKZBOPD-UHFFFAOYSA-N 1 0 436.625 4.055 40 0 IIABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=S)NC3CCCCC3)cc2c1 ZINC000006197725 557149393 /nfs/dbraw/zinc/14/93/93/557149393.db2.gz JDEJHCFFFLCHAD-UHFFFAOYSA-N 1 0 442.673 4.442 40 0 IIABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000006287910 557150631 /nfs/dbraw/zinc/15/06/31/557150631.db2.gz QBVXXPFNHVKSSZ-UHFFFAOYSA-N 1 0 444.604 4.084 40 0 IIABRO C[NH+](C)C1CCN(C(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn43)n2)CC1 ZINC000096155427 557179706 /nfs/dbraw/zinc/17/97/06/557179706.db2.gz NBNSGRIXGTVETG-UHFFFAOYSA-N 1 0 431.515 4.097 40 0 IIABRO Cc1ccc(NC(=O)c2ncn3c2nccc3C2CC[NH+](Cc3ccncc3)CC2)c(C)c1 ZINC000096267259 557192691 /nfs/dbraw/zinc/19/26/91/557192691.db2.gz LCHBLMGQGKBTPN-UHFFFAOYSA-N 1 0 440.551 4.373 40 0 IIABRO CCc1nccn1CCCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585273524 557215805 /nfs/dbraw/zinc/21/58/05/557215805.db2.gz PDDQNBKOFNHVDZ-HHHXNRCGSA-N 1 0 449.595 4.321 40 0 IIABRO Cc1nccn1CCOc1ccc(C[NH+]2CCC(O)(COc3ccc(C)cc3C)CC2)cc1 ZINC000585273532 557215899 /nfs/dbraw/zinc/21/58/99/557215899.db2.gz PDGZBLAXHMPECU-UHFFFAOYSA-N 1 0 449.595 4.293 40 0 IIABRO COc1ccccc1[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022928573 557271545 /nfs/dbraw/zinc/27/15/45/557271545.db2.gz NTIYZILRYOGNGI-XMMPIXPASA-N 1 0 438.620 4.227 40 0 IIABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2cc(C)no2)CC1 ZINC000100743699 557274263 /nfs/dbraw/zinc/27/42/63/557274263.db2.gz ASFLOVJFLPKMHH-QHAWAJNXSA-N 1 0 439.604 4.403 40 0 IIABRO COc1ccc(C[NH2+][C@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)cc1OC ZINC000100744454 557275275 /nfs/dbraw/zinc/27/52/75/557275275.db2.gz OZRDUWWJEXUBPZ-DEOSSOPVSA-N 1 0 433.512 4.001 40 0 IIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000072344829 557376949 /nfs/dbraw/zinc/37/69/49/557376949.db2.gz RSSFOWICYQFPOD-NRFANRHFSA-N 1 0 432.568 4.379 40 0 IIABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC1)O2 ZINC000013998261 557402929 /nfs/dbraw/zinc/40/29/29/557402929.db2.gz GDGZINJWZUMYRA-NHCUHLMSSA-N 1 0 446.385 4.450 40 0 IIABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COCCOc2ccc(C(C)C)cc2)CC1 ZINC000040373273 557414731 /nfs/dbraw/zinc/41/47/31/557414731.db2.gz OJRBOPYFTDRXIH-QHCPKHFHSA-N 1 0 447.019 4.350 40 0 IIABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)cc2)CC1 ZINC000017096264 557488182 /nfs/dbraw/zinc/48/81/82/557488182.db2.gz CTZQIBHWUPSBQE-LFYBBSHMSA-N 1 0 428.989 4.008 40 0 IIABRO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000223750355 557509106 /nfs/dbraw/zinc/50/91/06/557509106.db2.gz VHRRPJIIZXKYCZ-XZOQPEGZSA-N 1 0 427.533 4.453 40 0 IIABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(Cl)c1Cl ZINC000224605208 557630100 /nfs/dbraw/zinc/63/01/00/557630100.db2.gz IEGZAXKSQJZATN-UHFFFAOYSA-N 1 0 429.369 4.076 40 0 IIABRO COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000225773066 557775565 /nfs/dbraw/zinc/77/55/65/557775565.db2.gz PEJDQWZNIDXICN-UHFFFAOYSA-N 1 0 447.988 4.086 40 0 IIABRO C[C@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC(C)(C)C1 ZINC000034171020 557810955 /nfs/dbraw/zinc/81/09/55/557810955.db2.gz JPXOJNVGGPAPIF-IOMROCGXSA-N 1 0 428.539 4.420 40 0 IIABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3cccc(OCCn4cccn4)c3)CC2)cc1 ZINC000585270051 568616897 /nfs/dbraw/zinc/61/68/97/568616897.db2.gz BHMSJIZUSCKDGG-AREMUKBSSA-N 1 0 435.568 4.067 40 0 IIABRO Cc1cnn(CCOc2cccc(C[N@@H+]3CCC[C@@](O)(COc4ccc(C)cc4)CC3)c2)c1 ZINC000585270632 568617171 /nfs/dbraw/zinc/61/71/71/568617171.db2.gz HCZHRQUQASLRBZ-MHZLTWQESA-N 1 0 449.595 4.375 40 0 IIABRO Cc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585274774 568618570 /nfs/dbraw/zinc/61/85/70/568618570.db2.gz ZLLRMFRKRUBJCV-HHHXNRCGSA-N 1 0 449.595 4.375 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000057774046 568625941 /nfs/dbraw/zinc/62/59/41/568625941.db2.gz RRNLSRWDBCCRJH-CLOONOSVSA-N 1 0 425.573 4.214 40 0 IIABRO Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000257218890 568673744 /nfs/dbraw/zinc/67/37/44/568673744.db2.gz DESNQWKHURUJGU-XMMPIXPASA-N 1 0 445.567 4.028 40 0 IIABRO CC[C@H](C)C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257221037 568674886 /nfs/dbraw/zinc/67/48/86/568674886.db2.gz DNGIFFZEYGCUQE-YADARESESA-N 1 0 437.024 4.404 40 0 IIABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCC[NH+](C)C)cc(Br)c1OC2(C)C ZINC000257221248 568674963 /nfs/dbraw/zinc/67/49/63/568674963.db2.gz DOCOMNACPFOBBG-UMVBOHGHSA-N 1 0 439.394 4.137 40 0 IIABRO Fc1cccc(Oc2cccc([C@H]3CCC[N@H+](Cc4ccnc(N5CCOCC5)n4)C3)n2)c1 ZINC000257256202 568691436 /nfs/dbraw/zinc/69/14/36/568691436.db2.gz KKLVLNULSUBMIZ-IBGZPJMESA-N 1 0 449.530 4.019 40 0 IIABRO C[N@H+](CCC(=O)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1)Cc1cccnc1 ZINC000257256779 568691826 /nfs/dbraw/zinc/69/18/26/568691826.db2.gz KMWIFWADHMTZMB-JOCHJYFZSA-N 1 0 435.959 4.378 40 0 IIABRO Cc1cc(C)nc(Nc2ccc([C@H]3CN(Cc4ccnc5ccccc45)CCO3)nc2)n1 ZINC000257264061 568694798 /nfs/dbraw/zinc/69/47/98/568694798.db2.gz LSSQTLOIVUHLOU-XMMPIXPASA-N 1 0 426.524 4.354 40 0 IIABRO CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)CC1 ZINC000257298040 568710434 /nfs/dbraw/zinc/71/04/34/568710434.db2.gz RJWGJXSBZIDIIO-FQEVSTJZSA-N 1 0 438.547 4.237 40 0 IIABRO COc1ccc(NC(=O)CN2CCC(c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)CC2)cc1 ZINC000257304464 568713287 /nfs/dbraw/zinc/71/32/87/568713287.db2.gz SLUHAKSUVYTUDW-UHFFFAOYSA-N 1 0 449.530 4.494 40 0 IIABRO Cc1ccc(F)c(S(=O)(=O)N2CC[C@@H](c3cc(Nc4nccs4)cc(C)[nH+]3)C2)c1 ZINC000257305955 568713805 /nfs/dbraw/zinc/71/38/05/568713805.db2.gz SSFYGRIBAUNZRC-OAHLLOKOSA-N 1 0 432.546 4.216 40 0 IIABRO COc1cc(CCC(=O)N2CC[C@H](c3cc(Nc4cccc(OC)c4)cc(C)[nH+]3)C2)on1 ZINC000257342576 568729634 /nfs/dbraw/zinc/72/96/34/568729634.db2.gz ZPHFKDHFWITBFB-KRWDZBQOSA-N 1 0 436.512 4.088 40 0 IIABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306129077 568765446 /nfs/dbraw/zinc/76/54/46/568765446.db2.gz HTWUOOZYSMRVNT-XUZZJYLKSA-N 1 0 426.992 4.346 40 0 IIABRO COc1ncccc1-c1cnc2ncn(C3CC[NH+](Cc4cc(F)ccc4F)CC3)c2n1 ZINC000306132348 568767044 /nfs/dbraw/zinc/76/70/44/568767044.db2.gz LGDZKGMRFBOHML-UHFFFAOYSA-N 1 0 436.466 4.012 40 0 IIABRO O=C1N(Cc2cccnc2)CC[C@]12C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]2c1cccnc1 ZINC000306133071 568767745 /nfs/dbraw/zinc/76/77/45/568767745.db2.gz MAWXXDZJNFFLJW-ILBGXUMGSA-N 1 0 432.955 4.148 40 0 IIABRO Cc1cccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC000306137246 568769992 /nfs/dbraw/zinc/76/99/92/568769992.db2.gz QQMHUOLHBNWISE-IGKIAQTJSA-N 1 0 443.595 4.186 40 0 IIABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306141734 568772362 /nfs/dbraw/zinc/77/23/62/568772362.db2.gz WEXXIWRMGLSNOW-XUZZJYLKSA-N 1 0 426.992 4.346 40 0 IIABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329034885 568809884 /nfs/dbraw/zinc/80/98/84/568809884.db2.gz RCAXKRHUGYDQFU-UHFFFAOYSA-N 1 0 435.881 4.377 40 0 IIABRO O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000026781591 568862812 /nfs/dbraw/zinc/86/28/12/568862812.db2.gz PGOWGFSPDQEGDV-RHCLBKJASA-N 1 0 433.036 4.446 40 0 IIABRO COCCn1ccc2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@H]43)ccc21 ZINC000257198982 568921621 /nfs/dbraw/zinc/92/16/21/568921621.db2.gz NXJGYADPPJAYQP-WSKLTFMVSA-N 1 0 433.596 4.323 40 0 IIABRO COCCn1ccc2c1cccc2C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199209 568921910 /nfs/dbraw/zinc/92/19/10/568921910.db2.gz WPYRGFYFQPALLS-XIUDZHQXSA-N 1 0 433.596 4.323 40 0 IIABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000226259427 569177804 /nfs/dbraw/zinc/17/78/04/569177804.db2.gz QJKUYYQODNDWLE-UHFFFAOYSA-N 1 0 437.769 4.079 40 0 IIABRO O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)[nH]c(=O)c2C1 ZINC000247962893 569206710 /nfs/dbraw/zinc/20/67/10/569206710.db2.gz YGXGUXDMZNXTPE-VGOFRKELSA-N 1 0 436.531 4.013 40 0 IIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(I)cc2)CC1 ZINC000009062879 569219629 /nfs/dbraw/zinc/21/96/29/569219629.db2.gz SXVYZXUNGHLYSE-UHFFFAOYSA-N 1 0 434.321 4.450 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)cc1 ZINC000019555098 569227110 /nfs/dbraw/zinc/22/71/10/569227110.db2.gz BLUMNIDFEGVAGV-HFZDXXHNSA-N 1 0 445.563 4.482 40 0 IIABRO CCc1nc(-c2cncnc2[C@H]2CC[N@H+](Cc3ccc(OC(C)C)c(COC)c3)C2)no1 ZINC000019693715 569229190 /nfs/dbraw/zinc/22/91/90/569229190.db2.gz IYAVWTFTFVRHDP-SFHVURJKSA-N 1 0 437.544 4.012 40 0 IIABRO Cc1nc([C@@H]2CC[N@H+](Cc3cccnc3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695792 569229661 /nfs/dbraw/zinc/22/96/61/569229661.db2.gz REUSHXAFZGKNIZ-HSZRJFAPSA-N 1 0 441.579 4.082 40 0 IIABRO Cc1nc([C@]2(O)CCC[N@H+](Cc3ccccn3)CC2)sc1CCOc1ccccc1F ZINC000019696261 569229701 /nfs/dbraw/zinc/22/97/01/569229701.db2.gz NQUVRFUNWPQMJY-DEOSSOPVSA-N 1 0 441.572 4.481 40 0 IIABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000033616568 569244985 /nfs/dbraw/zinc/24/49/85/569244985.db2.gz IDLQLFYNEFQHNN-UHFFFAOYSA-N 1 0 444.604 4.084 40 0 IIABRO COc1ccc([N+]2=C3CCCCCN3[C@](O)(c3ccc(Br)cc3)C2)c(OC)c1 ZINC000027525117 569262965 /nfs/dbraw/zinc/26/29/65/569262965.db2.gz RUQRMDFHZGEVPI-JOCHJYFZSA-N 1 0 446.365 4.117 40 0 IIABRO CNC(=O)c1cc([C@@H]2CC[N@H+](Cc3cccc(Oc4ncccn4)c3)C2)nc2ccccc21 ZINC000019761921 569328781 /nfs/dbraw/zinc/32/87/81/569328781.db2.gz WSJPACKPFMOWHF-LJQANCHMSA-N 1 0 439.519 4.166 40 0 IIABRO CC(=O)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccc5ccccc5c3)c4=O)C2)CC1 ZINC000004260398 291378135 /nfs/dbraw/zinc/37/81/35/291378135.db2.gz BKPOISOUNVHURF-GBXCKJPGSA-N 1 0 441.575 4.099 40 0 biogenic,in-vitro IIABRO COc1ccc(C(=O)N2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1Br ZINC000408604035 555973414 /nfs/dbraw/zinc/97/34/14/555973414.db2.gz CVXDNGRVVNCXHW-LJQANCHMSA-N 1 0 429.358 4.121 40 0 IIABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000029907667 556486303 /nfs/dbraw/zinc/48/63/03/556486303.db2.gz WERWOZNAHYEELP-UHFFFAOYSA-N 1 0 449.576 4.013 40 0 IIABRO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2C)c1C ZINC000013672519 556552973 /nfs/dbraw/zinc/55/29/73/556552973.db2.gz TYVUQMLJKRCPBV-UHFFFAOYSA-N 1 0 443.613 4.018 40 0 IIABRO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)C(C)(C)C)[N@H+]2C=Cc4ccccc4[C@@H]32)c(C)c1 ZINC000033931156 556569676 /nfs/dbraw/zinc/56/96/76/556569676.db2.gz NOGABQKHFOYBGO-LUKWVAJMSA-N 1 0 428.532 4.434 40 0 IIABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1OC ZINC000044851746 556670696 /nfs/dbraw/zinc/67/06/96/556670696.db2.gz IEVHEEBTHWQXNQ-UHFFFAOYSA-N 1 0 430.976 4.318 40 0 IIABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857167 556672787 /nfs/dbraw/zinc/67/27/87/556672787.db2.gz DIJVWTCLAQTOAJ-IBGZPJMESA-N 1 0 448.588 4.139 40 0 IIABRO CC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000019022405 556694193 /nfs/dbraw/zinc/69/41/93/556694193.db2.gz HVZDYOMOKCHBTM-RPBOFIJWSA-N 1 0 446.547 4.182 40 0 IIABRO O=C(CCC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1)Nc1nccs1 ZINC000257323663 556704512 /nfs/dbraw/zinc/70/45/12/556704512.db2.gz WLHGJATZXKKBJR-FCHUYYIVSA-N 1 0 448.592 4.183 40 0 IIABRO COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCC[NH+]3CCCCC3)CCCO2)cc1 ZINC000257325636 556704849 /nfs/dbraw/zinc/70/48/49/556704849.db2.gz WTTXPMIFTBPNJB-AREMUKBSSA-N 1 0 440.559 4.195 40 0 IIABRO COc1ccccc1-c1cccc(CC2(C(=O)NC[C@@H]3CCC[N@H+](C)C3)CCOCC2)c1 ZINC000257231819 556709341 /nfs/dbraw/zinc/70/93/41/556709341.db2.gz GIHURWAXKOLCQQ-QFIPXVFZSA-N 1 0 436.596 4.160 40 0 IIABRO COc1ccc([C@H]2CN(CC(=O)N(c3ccccc3)c3ccccc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257264486 556712990 /nfs/dbraw/zinc/71/29/90/556712990.db2.gz LUOPYVUNXUWFGI-ZONZVBGPSA-N 1 0 441.575 4.437 40 0 IIABRO Cc1cc(C)n(CCCOc2cccc(C[N@@H+]3CCC[C@@](O)(COc4ccccc4)C3)c2)n1 ZINC000257274908 556714135 /nfs/dbraw/zinc/71/41/35/556714135.db2.gz NNDZAZIZGFRPHF-MHZLTWQESA-N 1 0 449.595 4.375 40 0 IIABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@](C(=O)N(C)C)(c2ccccn2)C1 ZINC000257286855 556715565 /nfs/dbraw/zinc/71/55/65/556715565.db2.gz PNIMGOKHRXAVTB-HHHXNRCGSA-N 1 0 429.564 4.379 40 0 IIABRO Cn1c2ccccc2nc1C[N@@H+]1CC=CC[C@@]2(C(=O)NCc3ccc(F)cc3)CCC[C@@H]12 ZINC000019289935 556729530 /nfs/dbraw/zinc/72/95/30/556729530.db2.gz ZJRCCRHANMJVEB-ZEQKJWHPSA-N 1 0 432.543 4.330 40 0 IIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCO2 ZINC000019376353 556752214 /nfs/dbraw/zinc/75/22/14/556752214.db2.gz HMHJSCHUAWZGCF-ZEQRLZLVSA-N 1 0 431.532 4.159 40 0 IIABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc3nccnc3c2)C1)c1cccs1 ZINC000019400619 556753192 /nfs/dbraw/zinc/75/31/92/556753192.db2.gz LEHFGDXBKSYYEZ-NTKDMRAZSA-N 1 0 443.576 4.470 40 0 IIABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019448953 556759036 /nfs/dbraw/zinc/75/90/36/556759036.db2.gz UMIDYTSIFAOTBX-MHZLTWQESA-N 1 0 428.580 4.493 40 0 IIABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)c4ccc(F)cc4)[nH]c(=O)c3C2)CC1 ZINC000019496002 556768587 /nfs/dbraw/zinc/76/85/87/556768587.db2.gz JROFTVQXGDNICF-ORWMALAUSA-N 1 0 438.547 4.235 40 0 IIABRO CCC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000019499315 556771130 /nfs/dbraw/zinc/77/11/30/556771130.db2.gz NOVXMTZAJTXZRK-PKTZIBPZSA-N 1 0 438.568 4.036 40 0 IIABRO CCC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000019499320 556771152 /nfs/dbraw/zinc/77/11/52/556771152.db2.gz NOWPEOFLDJDBCM-NHCUHLMSSA-N 1 0 444.959 4.073 40 0 IIABRO CCN1CC[N@H+](Cc2ccc(OC)cc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527709 556787002 /nfs/dbraw/zinc/78/70/02/556787002.db2.gz YHDKGBWEJRLGHW-DEOSSOPVSA-N 1 0 429.564 4.280 40 0 IIABRO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000019529140 556790556 /nfs/dbraw/zinc/79/05/56/556790556.db2.gz LWNIKKVDEDACHZ-HHHXNRCGSA-N 1 0 429.564 4.328 40 0 IIABRO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2ccccc2OC)C1 ZINC000019529153 556790597 /nfs/dbraw/zinc/79/05/97/556790597.db2.gz UJIHIXVOCZLHRQ-MHZLTWQESA-N 1 0 429.564 4.328 40 0 IIABRO COc1ccc(OC)c(C[NH+]2CCC([C@H](NC(=O)C3CCCC3)c3ccccn3)CC2)c1 ZINC000019551465 556795575 /nfs/dbraw/zinc/79/55/75/556795575.db2.gz SXVMGNDPJXXTCI-VWLOTQADSA-N 1 0 437.584 4.359 40 0 IIABRO COc1ccc(OC)c(C[NH+]2CCC(O)(Cn3cccc4cc(C(F)(F)F)nc3-4)CC2)c1 ZINC000019551454 556795600 /nfs/dbraw/zinc/79/56/00/556795600.db2.gz IZWAQZQIGOAEBV-UHFFFAOYSA-N 1 0 449.473 4.051 40 0 IIABRO Cc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c(C)c1 ZINC000001380621 556796888 /nfs/dbraw/zinc/79/68/88/556796888.db2.gz MKDLHVDRCFZWMI-UHFFFAOYSA-N 1 0 431.462 4.343 40 0 IIABRO Cc1c2ccccc2oc1C(=O)N1CCC(O)(C[N@@H+]2CCCC[C@@H]2c2cccnc2)CC1 ZINC000019566024 556806493 /nfs/dbraw/zinc/80/64/93/556806493.db2.gz AEQZPKLBMHKWFK-JOCHJYFZSA-N 1 0 433.552 4.331 40 0 IIABRO COc1ccccc1C[NH+]1CCC([C@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019570105 556810081 /nfs/dbraw/zinc/81/00/81/556810081.db2.gz XAFQWGFCBGZOKU-MHZLTWQESA-N 1 0 429.564 4.402 40 0 IIABRO COc1ccc(C[NH+]2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)c(C)c1C ZINC000019577317 556815467 /nfs/dbraw/zinc/81/54/67/556815467.db2.gz LUCIQTCCHXQZSO-UHFFFAOYSA-N 1 0 432.572 4.005 40 0 IIABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000004231265 556820635 /nfs/dbraw/zinc/82/06/35/556820635.db2.gz DLNDXNJYFNDOAX-UHFFFAOYSA-N 1 0 426.948 4.340 40 0 IIABRO Cc1ccc2cc(CN(CCC[NH+](C)C)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000004231316 556820876 /nfs/dbraw/zinc/82/08/76/556820876.db2.gz FVQUPVHPJWGLRG-UHFFFAOYSA-N 1 0 426.948 4.476 40 0 IIABRO CC[C@H](C)NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCC[N@@H+]1CC ZINC000004217049 556821353 /nfs/dbraw/zinc/82/13/53/556821353.db2.gz AELTZOPKAFPBLU-LAUBAEHRSA-N 1 0 428.646 4.104 40 0 IIABRO Cc1nn(C)cc1C[NH+]1CCC2(C[C@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000019583784 556821425 /nfs/dbraw/zinc/82/14/25/556821425.db2.gz RRWJQSWECJSQRU-XMMPIXPASA-N 1 0 437.975 4.249 40 0 IIABRO COCc1ccc(OC)c(C[NH+]2CCC(c3cc(N(C)C)nc(-c4cccnc4)n3)CC2)c1 ZINC000019584471 556821897 /nfs/dbraw/zinc/82/18/97/556821897.db2.gz HLFJCWQVVSHSFD-UHFFFAOYSA-N 1 0 447.583 4.139 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000019591290 556826522 /nfs/dbraw/zinc/82/65/22/556826522.db2.gz ZXNDDWZUJXCHDJ-HHHXNRCGSA-N 1 0 429.564 4.328 40 0 IIABRO COc1ccc(CCN(C)C(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000005045799 556826764 /nfs/dbraw/zinc/82/67/64/556826764.db2.gz IHSJKXFXRKNQMK-UHFFFAOYSA-N 1 0 430.976 4.270 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000008586312 556841849 /nfs/dbraw/zinc/84/18/49/556841849.db2.gz SDACTFXNGMCQLR-JOCHJYFZSA-N 1 0 438.616 4.474 40 0 IIABRO COc1ccc(-c2nc(C3CC[NH+](C)CC3)[nH]c2C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000019698724 556857732 /nfs/dbraw/zinc/85/77/32/556857732.db2.gz BYINLOHPNPNOOY-KRWDZBQOSA-N 1 0 448.567 4.394 40 0 IIABRO CC(C)[NH+]1CCC(C(=O)N2CCC([C@@H]3CCCCN(Cc4ccccc4)C3=O)CC2)CC1 ZINC000019744779 556891350 /nfs/dbraw/zinc/89/13/50/556891350.db2.gz VEUHEAAPNZKBCM-VWLOTQADSA-N 1 0 439.644 4.174 40 0 IIABRO Cc1nc2cc([C@@H]3CCC[N@@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000072351283 556920949 /nfs/dbraw/zinc/92/09/49/556920949.db2.gz UDYHQPIBEFZRHE-RXVVDRJESA-N 1 0 445.558 4.153 40 0 IIABRO CC1(C)CC(CC(=O)N2CCC[C@H](c3ccc(Nc4cnccn4)cn3)C2)CC(C)(C)[NH2+]1 ZINC000072353432 556926560 /nfs/dbraw/zinc/92/65/60/556926560.db2.gz TXELGCIWHFJOQC-IBGZPJMESA-N 1 0 436.604 4.268 40 0 IIABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409058139 556935241 /nfs/dbraw/zinc/93/52/41/556935241.db2.gz INWKZZVDHIDXSF-CIPQKONYSA-O 1 0 439.322 4.010 40 0 IIABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409058348 556935441 /nfs/dbraw/zinc/93/54/41/556935441.db2.gz XIRJXFZOSHFNBS-DLPRSZHDSA-O 1 0 426.540 4.135 40 0 IIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN3CC(=O)Nc3ccccc3F)c2)n1 ZINC000072372498 556942783 /nfs/dbraw/zinc/94/27/83/556942783.db2.gz CZEGGNONHAMOBY-QFIPXVFZSA-N 1 0 434.519 4.455 40 0 IIABRO CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CC[NH+](CC3CCCCC3)CC2)C1 ZINC000072372447 556942893 /nfs/dbraw/zinc/94/28/93/556942893.db2.gz COMBBANOWWRYHI-XMMPIXPASA-N 1 0 439.644 4.103 40 0 IIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc(Nc4cnccn4)cc(C)n3)C1)OCCO2 ZINC000072375041 556950558 /nfs/dbraw/zinc/95/05/58/556950558.db2.gz GHRXTEDMFVGWIR-GOSISDBHSA-N 1 0 447.539 4.083 40 0 IIABRO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@@H+](CC(=O)N(C)C4CCCCC4)C3)n2)n1 ZINC000072375953 556953697 /nfs/dbraw/zinc/95/36/97/556953697.db2.gz PVOZYTXWNQDOGN-HXUWFJFHSA-N 1 0 436.604 4.203 40 0 IIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3cccc(Nc4ccccn4)n3)C1)OCCO2 ZINC000072376101 556953836 /nfs/dbraw/zinc/95/38/36/556953836.db2.gz YBPWXPCQXPFSBP-SFHVURJKSA-N 1 0 432.524 4.380 40 0 IIABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)c4nn(C)cc4Cl)CC3)CCCCC2)cc1 ZINC000072393589 556964782 /nfs/dbraw/zinc/96/47/82/556964782.db2.gz NCXGSWSXCIWBIK-UHFFFAOYSA-N 1 0 429.008 4.478 40 0 IIABRO COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)cc1C ZINC000072398662 556970382 /nfs/dbraw/zinc/97/03/82/556970382.db2.gz CIHJJHNMJQTKQT-LVXARBLLSA-N 1 0 444.579 4.485 40 0 IIABRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000257277177 556993315 /nfs/dbraw/zinc/99/33/15/556993315.db2.gz NWTKMFHFVNJVJQ-LLMJNHHCSA-N 1 0 428.577 4.041 40 0 IIABRO CN1CCN(C(=O)C[C@@H]2CC3(CC[NH+](Cc4ccc(F)cc4)CC3)c3ccccc32)CC1 ZINC000096052937 557166377 /nfs/dbraw/zinc/16/63/77/557166377.db2.gz WTTTXIQGHMMCER-JOCHJYFZSA-N 1 0 435.587 4.011 40 0 IIABRO COCCNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C)s3)CC2)Oc2ccccc21 ZINC000096053374 557166778 /nfs/dbraw/zinc/16/67/78/557166778.db2.gz OYOHSGQVBPMILC-LJQANCHMSA-N 1 0 428.598 4.110 40 0 IIABRO C[N@@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)Nc3ccc(Cl)cc3)CC[C@@H]12 ZINC000096145284 557174750 /nfs/dbraw/zinc/17/47/50/557174750.db2.gz MYMHVUFFYLJEON-NFBKMPQASA-N 1 0 426.948 4.297 40 0 IIABRO COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NC[C@@H]3CCC[N@H+](C)C3)CCCO2)cc1 ZINC000585262576 557202666 /nfs/dbraw/zinc/20/26/66/557202666.db2.gz UNLVBCPRLYGXCA-RXFWQSSRSA-N 1 0 440.559 4.051 40 0 IIABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3cccc(OCCn4ccnc4)c3)CC2)c(C)c1 ZINC000585270241 557214257 /nfs/dbraw/zinc/21/42/57/557214257.db2.gz ASRBXFXOSPGLAA-HHHXNRCGSA-N 1 0 449.595 4.375 40 0 IIABRO Cc1cnn(CCOc2cccc(C[NH+]3CCC(O)(COc4ccc(C)cc4C)CC3)c2)c1 ZINC000585272417 557217128 /nfs/dbraw/zinc/21/71/28/557217128.db2.gz SYDNSDQMZUCVKX-UHFFFAOYSA-N 1 0 449.595 4.293 40 0 IIABRO COCCOc1ccc(C[NH+]2CCC(Nc3ncnc4sc(C)cc43)CC2)cc1OC ZINC000585292881 557232149 /nfs/dbraw/zinc/23/21/49/557232149.db2.gz AZFWYKHAFLRFMR-UHFFFAOYSA-N 1 0 442.585 4.110 40 0 IIABRO C[C@H](c1ccccc1)[N@H+](CCN1CCN2CCCc3cccc(c32)C1=O)C1CCN(C)CC1 ZINC000057774294 557263981 /nfs/dbraw/zinc/26/39/81/557263981.db2.gz YJNJROXHIONBDN-JOCHJYFZSA-N 1 0 446.639 4.052 40 0 IIABRO COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCCCCC4)cc3)n2)cc1 ZINC000219964892 557272605 /nfs/dbraw/zinc/27/26/05/557272605.db2.gz SCCJPVOIMIUAFE-UHFFFAOYSA-N 1 0 434.540 4.393 40 0 IIABRO CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000072372424 557388430 /nfs/dbraw/zinc/38/84/30/557388430.db2.gz CTBQBROZKXUBKW-RUZDIDTESA-N 1 0 447.623 4.031 40 0 IIABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000223259260 557452030 /nfs/dbraw/zinc/45/20/30/557452030.db2.gz SHVGCQNJGJABON-RTWAWAEBSA-N 1 0 443.979 4.199 40 0 IIABRO COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000223412740 557468657 /nfs/dbraw/zinc/46/86/57/557468657.db2.gz RCAVJEWGDDDJBM-DNQXCXABSA-N 1 0 441.560 4.449 40 0 IIABRO CCCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(C)ccc(S(=O)(=O)N2CCCCC2)c1C ZINC000004577396 557541986 /nfs/dbraw/zinc/54/19/86/557541986.db2.gz VOIDCPDDVXAFDG-HXUWFJFHSA-N 1 0 435.634 4.071 40 0 IIABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(I)cc1 ZINC000224808172 557653858 /nfs/dbraw/zinc/65/38/58/557653858.db2.gz JAVNCEZLNPBEHM-UHFFFAOYSA-N 1 0 434.321 4.207 40 0 IIABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)c(Cl)c1Cl ZINC000224819833 557655494 /nfs/dbraw/zinc/65/54/94/557655494.db2.gz CMBXGOGIKQRTOO-UHFFFAOYSA-N 1 0 443.396 4.466 40 0 IIABRO COc1cc(C[NH+]2CCC(NC(=S)Nc3cc(C)cc(C)c3)CC2)cc(OC)c1OC ZINC000225227394 557702633 /nfs/dbraw/zinc/70/26/33/557702633.db2.gz MPCHZMUKXBHJAX-UHFFFAOYSA-N 1 0 443.613 4.280 40 0 IIABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1 ZINC000225584425 557747191 /nfs/dbraw/zinc/74/71/91/557747191.db2.gz QFPIAYZGKAPBCD-UHFFFAOYSA-N 1 0 440.584 4.493 40 0 IIABRO CC[C@@H]1c2ccc(OC)c3c2[C@]24CC[N@@H+](C)[C@H]1[C@]21C=C[C@@](OC)([C@@H](C(C)(C)O)C1)[C@@]4(C)O3 ZINC000253504112 560037811 /nfs/dbraw/zinc/03/78/11/560037811.db2.gz CQJSMSATJDJBEL-PCULJCQDSA-N 1 0 439.596 4.028 40 0 biogenic,in-vitro IIABRO Cc1cccc(C[N@@H+]2CC[C@H](c3cc4nc(C)c(CCC(=O)NC(C)(C)C)c(C)n4n3)C2)c1 ZINC000257202973 568666681 /nfs/dbraw/zinc/66/66/81/568666681.db2.gz AOCMLZKBMIHDEE-QFIPXVFZSA-N 1 0 447.627 4.491 40 0 IIABRO Cc1noc(C)c1S(=O)(=O)N1CC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257211767 568670700 /nfs/dbraw/zinc/67/07/00/568670700.db2.gz CAHOKOLLKPXORD-SFHVURJKSA-N 1 0 426.542 4.225 40 0 IIABRO Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)CC3(O)CCCCC3)CC2)[nH+]1 ZINC000257249903 568688784 /nfs/dbraw/zinc/68/87/84/568688784.db2.gz JKFHTROJYVAADX-UHFFFAOYSA-N 1 0 426.536 4.459 40 0 IIABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(CC(=O)Nc4cnn(C)c4C)C3)c2)c1 ZINC000257252609 568689924 /nfs/dbraw/zinc/68/99/24/568689924.db2.gz JVKFRESFMWOGPJ-LJQANCHMSA-N 1 0 448.571 4.002 40 0 IIABRO Cn1c2ccc(C[N@@H+]3CC[C@@H](Nc4ccccc4)[C@@H](Cc4ccccc4)C3)cc2n(C)c1=O ZINC000257256586 568691478 /nfs/dbraw/zinc/69/14/78/568691478.db2.gz KMCUFOKGXNYNND-UKILVPOCSA-N 1 0 440.591 4.422 40 0 IIABRO Cn1c2ccc(C[NH+]3CCC(c4ccc(Cc5ccccc5F)cn4)CC3)cc2n(C)c1=O ZINC000257257446 568692106 /nfs/dbraw/zinc/69/21/06/568692106.db2.gz KPOUUWZZBXTEGE-UHFFFAOYSA-N 1 0 444.554 4.382 40 0 IIABRO COCCCN1C(=O)C[C@H](c2ccc(Cl)cc2)[C@@H]2[C@H]1CCC[C@@H]2[NH2+]Cc1ccncc1 ZINC000257259274 568692734 /nfs/dbraw/zinc/69/27/34/568692734.db2.gz KXPJLRSJMPYNTJ-QENXHYHDSA-N 1 0 442.003 4.415 40 0 IIABRO O=C(N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21)C1(c2cccc(F)c2)CCOCC1 ZINC000257270026 568697496 /nfs/dbraw/zinc/69/74/96/568697496.db2.gz MSMSZRBKOHGUMJ-SDHOMARFSA-N 1 0 436.571 4.401 40 0 IIABRO CCCN1CC[N@H+](Cc2[nH]c(CC)nc2C)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257271321 568698118 /nfs/dbraw/zinc/69/81/18/568698118.db2.gz MXVMLCOEQFKOLN-HSZRJFAPSA-N 1 0 445.611 4.256 40 0 IIABRO COCCc1ncc(C[N@@H+]2CCC[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cn1 ZINC000257304953 568713538 /nfs/dbraw/zinc/71/35/38/568713538.db2.gz SNWBFVRJGMWBNT-IBGZPJMESA-N 1 0 438.601 4.257 40 0 IIABRO CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4nccn4C)CC3)CO[C@H]21 ZINC000257344742 568730561 /nfs/dbraw/zinc/73/05/61/568730561.db2.gz ZYMSAXXXMXGSLT-SIKLNZKXSA-N 1 0 425.573 4.350 40 0 IIABRO COCCc1ncc(C[N@@H+]2CC[C@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)cn1 ZINC000257345057 568730862 /nfs/dbraw/zinc/73/08/62/568730862.db2.gz ZZTUCSGSNYXDQO-IBGZPJMESA-N 1 0 438.601 4.175 40 0 IIABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2cccnc2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306130981 568766523 /nfs/dbraw/zinc/76/65/23/568766523.db2.gz JTZXWQZSBVBPQX-RPLLCQBOSA-N 1 0 443.595 4.267 40 0 IIABRO COc1ccc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(CCN(CCc4ccccc4)C3=O)C2)cc1 ZINC000306133288 568767641 /nfs/dbraw/zinc/76/76/41/568767641.db2.gz MHQZJPCQMZSRLV-IAPPQJPRSA-N 1 0 441.575 4.151 40 0 IIABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306137214 568770001 /nfs/dbraw/zinc/77/00/01/568770001.db2.gz QPBNBSHKQYKWLS-NVQXNPDNSA-N 1 0 447.558 4.016 40 0 IIABRO Cc1cccc(C)c1OC[C@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095863089 568792170 /nfs/dbraw/zinc/79/21/70/568792170.db2.gz BTGUKMUBVDODEV-AREMUKBSSA-N 1 0 430.592 4.450 40 0 IIABRO C[NH+](C)CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329032839 568809894 /nfs/dbraw/zinc/80/98/94/568809894.db2.gz QQGMYIFFLUXCSF-UHFFFAOYSA-N 1 0 433.503 4.316 40 0 IIABRO Cc1c(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)cccc1C(F)(F)F ZINC000329064288 568810798 /nfs/dbraw/zinc/81/07/98/568810798.db2.gz XIQRCPMNZBLLMF-UHFFFAOYSA-N 1 0 429.490 4.422 40 0 IIABRO O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)[nH]c(=O)c2C1 ZINC000247962898 569206697 /nfs/dbraw/zinc/20/66/97/569206697.db2.gz YGXGUXDMZNXTPE-VGSWGCGISA-N 1 0 436.531 4.013 40 0 IIABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@H]2NC(=O)C(C)C ZINC000247998975 569206842 /nfs/dbraw/zinc/20/68/42/569206842.db2.gz NDQNERDUFDHKSZ-BXTSTYNKSA-N 1 0 447.623 4.089 40 0 IIABRO COc1ccc(C[N@@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3CCC[C@H]32)c(OC)c1 ZINC000248140432 569207308 /nfs/dbraw/zinc/20/73/08/569207308.db2.gz PMBSDMZFIWCRCJ-NJDAHSKKSA-N 1 0 427.541 4.498 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)c1 ZINC000019565022 569227048 /nfs/dbraw/zinc/22/70/48/569227048.db2.gz OWNMDAOWONQVCU-YIXXDRMTSA-N 1 0 429.564 4.402 40 0 IIABRO COc1cccc(-c2ccc([C@@H]3CN(C(=O)c4cccc(C[NH+](C)C)c4)CCO3)nc2)c1 ZINC000019693578 569228978 /nfs/dbraw/zinc/22/89/78/569228978.db2.gz WGNPHVPJISRTIY-VWLOTQADSA-N 1 0 431.536 4.033 40 0 IIABRO COc1ccc(-c2nc([C@H]3CCC[N@H+](Cc4cccc(OC(C)C)c4)C3)[nH]c2C(N)=O)cc1 ZINC000019698938 569230291 /nfs/dbraw/zinc/23/02/91/569230291.db2.gz VAUJBTCDPNHKKX-FQEVSTJZSA-N 1 0 448.567 4.351 40 0 IIABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702481 569232046 /nfs/dbraw/zinc/23/20/46/569232046.db2.gz AESNCQVLWYCPNK-MRXNPFEDSA-N 1 0 449.555 4.326 40 0 IIABRO CC[NH+]1CCC(CC(=O)N2CC[C@H](c3ccc4c(NCc5ccccc5)n[nH]c4n3)C2)CC1 ZINC000019705103 569234015 /nfs/dbraw/zinc/23/40/15/569234015.db2.gz FRBGFGUISQDQGC-NRFANRHFSA-N 1 0 446.599 4.008 40 0 IIABRO Cc1nc([C@@]2(O)CCC[N@H+](CC3=CCCOC3)CC2)sc1CCOc1ccccc1 ZINC000019705234 569234091 /nfs/dbraw/zinc/23/40/91/569234091.db2.gz RGYQTIWMJMRPJE-XMMPIXPASA-N 1 0 428.598 4.093 40 0 IIABRO COc1ccc(NC(=O)c2cnc(C3CC[NH+](Cc4cnc(C)s4)CC3)nc2C)cc1 ZINC000019763877 569238215 /nfs/dbraw/zinc/23/82/15/569238215.db2.gz AFDGWFINTFDFSB-UHFFFAOYSA-N 1 0 437.569 4.190 40 0 IIABRO COc1ccc(NC(=O)c2cnc(C3CC[NH+](Cc4cccc(OC)c4)CC3)nc2C)cc1 ZINC000019763778 569238259 /nfs/dbraw/zinc/23/82/59/569238259.db2.gz VLLMPOMXKMLTHD-UHFFFAOYSA-N 1 0 446.551 4.434 40 0 IIABRO COc1ccc(C[NH+]2CCC(c3ncc(C(=O)Nc4ccccc4)c(C)n3)CC2)c(OC)c1 ZINC000019764185 569238325 /nfs/dbraw/zinc/23/83/25/569238325.db2.gz ZUFDBCXUTUPDHX-UHFFFAOYSA-N 1 0 446.551 4.434 40 0 IIABRO COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCC[N@@H+]2CCc2ccccc2)cc1 ZINC000019752112 569328403 /nfs/dbraw/zinc/32/84/03/569328403.db2.gz PPSPJPBUNBMSFP-DEOSSOPVSA-N 1 0 430.552 4.103 40 0 IIABRO COc1ccccc1C[NH+]1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1 ZINC000019756396 569328581 /nfs/dbraw/zinc/32/85/81/569328581.db2.gz UROFDQOVAQXRNO-UHFFFAOYSA-N 1 0 436.531 4.275 40 0 IIABRO CN(CCO)C(=O)c1cc([C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)nc2ccccc21 ZINC000019761717 569328724 /nfs/dbraw/zinc/32/87/24/569328724.db2.gz ZPVYLGKBVWAAKS-QGZVFWFLSA-N 1 0 441.934 4.081 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765128 569329111 /nfs/dbraw/zinc/32/91/11/569329111.db2.gz NJBQPKCAPKYESB-LJQANCHMSA-N 1 0 434.515 4.435 40 0 IIABRO Cc1cc(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)ccc1Br ZINC000329065086 569583997 /nfs/dbraw/zinc/58/39/97/569583997.db2.gz XOYLNNSDFUSBOM-UHFFFAOYSA-N 1 0 432.288 4.674 40 0 IIABRO CCCCCC(=O)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 ZINC000225474700 291381096 /nfs/dbraw/zinc/38/10/96/291381096.db2.gz FMLMKZSUOKTOLS-UHFFFAOYSA-N 1 0 427.614 4.092 40 0 biogenic,in-vitro IIABRO CCOCC[NH+]1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn32)CC1 ZINC000013562718 132349871 /nfs/dbraw/zinc/34/98/71/132349871.db2.gz DFBGOMPJEJISEN-UHFFFAOYSA-N 1 0 445.542 4.361 40 0 IIABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=O)NC3CCCCC3)cc2c1 ZINC000012708310 521282807 /nfs/dbraw/zinc/28/28/07/521282807.db2.gz WSSDHUHYASYCAD-UHFFFAOYSA-N 1 0 442.604 4.113 40 0 IIABRO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000022074106 522446524 /nfs/dbraw/zinc/44/65/24/522446524.db2.gz UXQLPGQDVAKQPV-UHFFFAOYSA-N 1 0 439.383 4.393 40 0 IIABRO COc1cc(OC)c(OC)cc1C[N@@H+]1Cc2ccccc2OC2(CCC(CO)CC2)C1 ZINC000012126478 522823921 /nfs/dbraw/zinc/82/39/21/522823921.db2.gz WZKKIGHWMQEBGW-UHFFFAOYSA-N 1 0 427.541 4.028 40 0 IIABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)[nH+]1 ZINC000072352026 525305618 /nfs/dbraw/zinc/30/56/18/525305618.db2.gz FJEKGEXKXLOOOZ-LJQANCHMSA-N 1 0 438.547 4.381 40 0 IIABRO Cn1nnnc1SCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022109350 527659698 /nfs/dbraw/zinc/65/96/98/527659698.db2.gz QAJYYTHAACUPFT-UHFFFAOYSA-N 1 0 438.384 4.368 40 0 IIABRO COc1ccc([C@@H]2C[C@H](OC(=O)CCc3ccc(O)cc3)C[C@H]3CCCC[N@@H+]32)cc1O ZINC000003847180 555948421 /nfs/dbraw/zinc/94/84/21/555948421.db2.gz TYTIBYQBVJUCGJ-FCEUIQTBSA-N 1 0 425.525 4.340 40 0 IIABRO COc1ccc(C[N@@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3CCC[C@@H]32)c(OC)c1 ZINC000036719487 556309681 /nfs/dbraw/zinc/30/96/81/556309681.db2.gz PMBSDMZFIWCRCJ-NJYVYQBISA-N 1 0 427.541 4.498 40 0 IIABRO O=C(Nc1ccc(I)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038834838 556622809 /nfs/dbraw/zinc/62/28/09/556622809.db2.gz QTOSMBKLRGTBKQ-OAHLLOKOSA-N 1 0 438.284 4.281 40 0 IIABRO COc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3ccccc3F)CC1)CC(C)(C)O2 ZINC000044855540 556671901 /nfs/dbraw/zinc/67/19/01/556671901.db2.gz OACGTJNHTRAASD-JOCHJYFZSA-N 1 0 426.532 4.465 40 0 IIABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856977 556672750 /nfs/dbraw/zinc/67/27/50/556672750.db2.gz REUIKDYWPCMVDE-QFIPXVFZSA-N 1 0 449.016 4.223 40 0 IIABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857168 556672766 /nfs/dbraw/zinc/67/27/66/556672766.db2.gz DIJVWTCLAQTOAJ-LJQANCHMSA-N 1 0 448.588 4.139 40 0 IIABRO COc1cc(CNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc(OC)c1OC ZINC000044917681 556681968 /nfs/dbraw/zinc/68/19/68/556681968.db2.gz FSMSJUFGAYNDIH-UHFFFAOYSA-N 1 0 446.547 4.201 40 0 IIABRO CC(C)(C)C(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000019081218 556696145 /nfs/dbraw/zinc/69/61/45/556696145.db2.gz CLRAWDCORFOQBH-NRFANRHFSA-N 1 0 442.648 4.282 40 0 IIABRO COCC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cc(C(C)(C)C)ccc2OC)CC1 ZINC000019084428 556698452 /nfs/dbraw/zinc/69/84/52/556698452.db2.gz HGRNJQPGOHFHPC-VWLOTQADSA-N 1 0 439.600 4.104 40 0 IIABRO COCCOc1cc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OC ZINC000257207225 556702070 /nfs/dbraw/zinc/70/20/70/556702070.db2.gz BGWPYAGQNUYMKO-UHFFFAOYSA-N 1 0 449.975 4.434 40 0 IIABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(Cc2cccc(-c3cccc(OC)c3)c2)CCOCC1 ZINC000257323343 556704542 /nfs/dbraw/zinc/70/45/42/556704542.db2.gz WJTURLHADOUUQM-DEOSSOPVSA-N 1 0 436.596 4.302 40 0 IIABRO Cc1ccn(CCCOc2ccc(C[N@@H+]3CCC[C@@](O)(COc4ccccc4)C3)cc2)n1 ZINC000257229306 556709014 /nfs/dbraw/zinc/70/90/14/556709014.db2.gz FXOSWYZSNRBUBA-SANMLTNESA-N 1 0 435.568 4.067 40 0 IIABRO COc1ccccc1-c1cccc(CC2(C(=O)NCC[C@@H]3CCC[N@@H+]3C)CCOCC2)c1 ZINC000257273381 556714036 /nfs/dbraw/zinc/71/40/36/556714036.db2.gz NGIFHLWEGAYQNV-QHCPKHFHSA-N 1 0 436.596 4.302 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3c(C)[nH]c4cc(C)ccc43)CC1)C[C@@H]2O ZINC000019219614 556714026 /nfs/dbraw/zinc/71/40/26/556714026.db2.gz RNQJOQQXVTWEQC-XZOQPEGZSA-N 1 0 436.552 4.177 40 0 IIABRO Cc1cccc([C@@H]2C[N@H+](Cc3cnc(-c4ccccc4C)nc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019237557 556722673 /nfs/dbraw/zinc/72/26/73/556722673.db2.gz JNWROGWTONVHRA-WNCULLNHSA-N 1 0 441.579 4.184 40 0 IIABRO Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c12 ZINC000000880610 556732304 /nfs/dbraw/zinc/73/23/04/556732304.db2.gz NTRQCNBTBTWZAN-UHFFFAOYSA-N 1 0 428.989 4.251 40 0 IIABRO O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019370221 556747820 /nfs/dbraw/zinc/74/78/20/556747820.db2.gz RACWTOWUZKAZOW-HSZRJFAPSA-N 1 0 434.584 4.169 40 0 IIABRO O=C(N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2)c1ccccn1)C1CCC1 ZINC000019400903 556753397 /nfs/dbraw/zinc/75/33/97/556753397.db2.gz VQJVJDVXNVGRDF-GGAORHGYSA-N 1 0 435.568 4.255 40 0 IIABRO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@H](C)[NH+]4CCCCC4)C3)cc2n1 ZINC000019452382 556763336 /nfs/dbraw/zinc/76/33/36/556763336.db2.gz NYFITACOMNLAHY-HOTGVXAUSA-N 1 0 437.510 4.062 40 0 IIABRO C[C@@H](CC[N@@H+]1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000019455644 556765671 /nfs/dbraw/zinc/76/56/71/556765671.db2.gz QYXYSPJQLRYFRP-IDISGSTGSA-N 1 0 428.580 4.447 40 0 IIABRO CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019503565 556775335 /nfs/dbraw/zinc/77/53/35/556775335.db2.gz OBTCKCZMBZYFTO-HHHXNRCGSA-N 1 0 428.580 4.495 40 0 IIABRO CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@H+](Cc2cnc(CC)nc2)C1 ZINC000019523314 556780424 /nfs/dbraw/zinc/78/04/24/556780424.db2.gz OBANFLHXEPGQOO-HHHXNRCGSA-N 1 0 428.580 4.277 40 0 IIABRO CCN1CC[N@H+](Cc2c[nH]nc2C(C)(C)C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527706 556787061 /nfs/dbraw/zinc/78/70/61/556787061.db2.gz SKVXBTOIDWESGD-JOCHJYFZSA-N 1 0 445.611 4.292 40 0 IIABRO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+](Cc4cccc(OC)c4)C3)no2)cc1 ZINC000019555829 556799029 /nfs/dbraw/zinc/79/90/29/556799029.db2.gz PWPICUNPOMGEAQ-FQEVSTJZSA-N 1 0 435.524 4.001 40 0 IIABRO Cc1sc2ncn(CC3(O)CC[NH+](CC[C@@H](C)c4ccccc4)CC3)c(=O)c2c1C ZINC000019561503 556802749 /nfs/dbraw/zinc/80/27/49/556802749.db2.gz JOVHOFAGBBOCNE-QGZVFWFLSA-N 1 0 425.598 4.096 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c1OC ZINC000019584590 556822038 /nfs/dbraw/zinc/82/20/38/556822038.db2.gz RMFNCAIFODIQJH-IBGZPJMESA-N 1 0 433.556 4.001 40 0 IIABRO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1OC ZINC000019585265 556822440 /nfs/dbraw/zinc/82/24/40/556822440.db2.gz YWXPYBRUCHAHJO-NRFANRHFSA-N 1 0 433.556 4.349 40 0 IIABRO COc1ccc(NC(=O)[C@H]2C[C@H](C3CCN(Cc4ccc(F)c(F)c4)CC3)[N@H+](C)C2)cc1 ZINC000019587650 556823655 /nfs/dbraw/zinc/82/36/55/556823655.db2.gz JRHLZFNEQBHRMP-YADARESESA-N 1 0 443.538 4.144 40 0 IIABRO CC[NH+](CC)CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000005979222 556827400 /nfs/dbraw/zinc/82/74/00/556827400.db2.gz LMIZAUMDYMUYRN-UHFFFAOYSA-N 1 0 426.605 4.413 40 0 IIABRO Cc1cc2cc(CN(Cc3cccs3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2cc1C ZINC000006320894 556832760 /nfs/dbraw/zinc/83/27/60/556832760.db2.gz LJELFFCYVXBQPZ-UHFFFAOYSA-N 1 0 442.654 4.035 40 0 IIABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)cc3)cc12 ZINC000008586311 556841745 /nfs/dbraw/zinc/84/17/45/556841745.db2.gz GDNTZTOIONSNHB-UHFFFAOYSA-N 1 0 436.531 4.414 40 0 aggregator IIABRO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@@H+]3Cc3ccc(C)cc3OC)c2)cn1 ZINC000019690999 556846895 /nfs/dbraw/zinc/84/68/95/556846895.db2.gz YLNAWKBAUAAMHP-DEOSSOPVSA-N 1 0 430.552 4.466 40 0 IIABRO CCn1ncc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)c1C ZINC000019694354 556850327 /nfs/dbraw/zinc/85/03/27/556850327.db2.gz KHSXUARHYSHNGF-QHCPKHFHSA-N 1 0 434.588 4.470 40 0 IIABRO COc1cccc(CN2CCCc3c(C)nc([C@@H]4CCC[N@@H+](C5CCOCC5)C4)nc32)c1 ZINC000019706628 556865003 /nfs/dbraw/zinc/86/50/03/556865003.db2.gz WKQRNRSYXDNGDI-OAQYLSRUSA-N 1 0 436.600 4.105 40 0 IIABRO CC(C)Oc1ccc(C[NH+]2CCC(Cc3nn(C)cc3C(=O)NC3CCCC3)CC2)cc1 ZINC000019756683 556900673 /nfs/dbraw/zinc/90/06/73/556900673.db2.gz POGVLGMMZBHMQN-UHFFFAOYSA-N 1 0 438.616 4.334 40 0 IIABRO Cc1cccc(C[NH+]2CCC(Cc3nn(C)cc3C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000019756653 556900710 /nfs/dbraw/zinc/90/07/10/556900710.db2.gz HSLBPQJMHDDPFB-UHFFFAOYSA-N 1 0 434.559 4.252 40 0 IIABRO CCc1ncc(C[NH+]2CCC(Cc3cc(NCc4ccccc4F)nc(C)n3)CC2)cn1 ZINC000019758911 556902546 /nfs/dbraw/zinc/90/25/46/556902546.db2.gz AUEDDJFQTCWSCW-UHFFFAOYSA-N 1 0 434.563 4.343 40 0 IIABRO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cn(C)c3cc(OC)ccc23)C1 ZINC000072352524 556924541 /nfs/dbraw/zinc/92/45/41/556924541.db2.gz SSCGGAIJZPMTJX-OAHLLOKOSA-N 1 0 434.565 4.146 40 0 IIABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409056003 556933832 /nfs/dbraw/zinc/93/38/32/556933832.db2.gz LXXOLWZBFYITMX-IQUGWNQFSA-O 1 0 439.322 4.010 40 0 IIABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000409058609 556935619 /nfs/dbraw/zinc/93/56/19/556935619.db2.gz TZJPBHCYKHSKDS-MAEDJNRBSA-O 1 0 439.322 4.010 40 0 IIABRO CC(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000409055748 556938778 /nfs/dbraw/zinc/93/87/78/556938778.db2.gz AVAIXDPRKMOERJ-OCZZZQCFSA-O 1 0 446.958 4.480 40 0 IIABRO Cc1nc(CC(=O)N2CCC[C@@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)[nH+]3)C2)cs1 ZINC000072374969 556949795 /nfs/dbraw/zinc/94/97/95/556949795.db2.gz DURSSWHOMVQAJS-GOSISDBHSA-N 1 0 436.585 4.254 40 0 IIABRO COc1ccccc1S(=O)(=O)N1CCC[C@@H](c2cc(Nc3ccccn3)cc(C)[nH+]2)C1 ZINC000072375051 556950611 /nfs/dbraw/zinc/95/06/11/556950611.db2.gz WGYOVFMUQTWFMX-GOSISDBHSA-N 1 0 438.553 4.106 40 0 IIABRO CN(CCO)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1ccccn1 ZINC000072380082 556957560 /nfs/dbraw/zinc/95/75/60/556957560.db2.gz OSOQZKJPDYZEHP-HXUWFJFHSA-N 1 0 437.609 4.348 40 0 IIABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cccc(-c5cccc(F)c5)c4)C[C@H]32)c(OC)n1 ZINC000072392631 556963892 /nfs/dbraw/zinc/96/38/92/556963892.db2.gz BSXMUWAWHOFOCA-VAPDBKPJSA-N 1 0 449.526 4.030 40 0 IIABRO COc1ccccc1C[N@@H+]1CCC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000072395958 556968273 /nfs/dbraw/zinc/96/82/73/556968273.db2.gz AYUDPSPPJMMXEP-SANMLTNESA-N 1 0 433.552 4.263 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1OC ZINC000072398581 556969970 /nfs/dbraw/zinc/96/99/70/556969970.db2.gz WERUYJYCNVSCAS-CVDCTZTESA-N 1 0 425.573 4.214 40 0 IIABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2cc(C)no2)CC1 ZINC000257203927 556980552 /nfs/dbraw/zinc/98/05/52/556980552.db2.gz ASFLOVJFLPKMHH-NJDAHSKKSA-N 1 0 439.604 4.403 40 0 IIABRO CC(C)NC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000585166476 557128095 /nfs/dbraw/zinc/12/80/95/557128095.db2.gz YFYCWPBMRGJTAN-UHFFFAOYSA-N 1 0 430.596 4.437 40 0 IIABRO CC(C)CN1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)COc2ccccc2S1(=O)=O ZINC000096145153 557174044 /nfs/dbraw/zinc/17/40/44/557174044.db2.gz HPDXYQQPMUYRID-UHFFFAOYSA-N 1 0 446.588 4.147 40 0 IIABRO COc1cccc(-c2ccc3cc(C(=O)N4CC[C@H]([NH+](C)C)C4)c(-c4cocn4)n3c2)c1 ZINC000096155541 557180094 /nfs/dbraw/zinc/18/00/94/557180094.db2.gz UWJVFRRHJRZAMW-FQEVSTJZSA-N 1 0 430.508 4.046 40 0 IIABRO C[C@]12C[C@@H](c3ccccc3)N(CC(=O)Nc3ccc4c(c3)OCCO4)[C@H]1CCCCC[NH2+]2 ZINC000585262118 557200868 /nfs/dbraw/zinc/20/08/68/557200868.db2.gz SQSNYOGPIJWFAA-CVJWPJSTSA-N 1 0 435.568 4.134 40 0 IIABRO COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NC[C@@H]3CCC[N@H+](C)C3)CCCO2)cc1 ZINC000585262571 557202562 /nfs/dbraw/zinc/20/25/62/557202562.db2.gz UNLVBCPRLYGXCA-FNZWTVRRSA-N 1 0 440.559 4.051 40 0 IIABRO O[C@]1(COc2ccccc2)CCC[N@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C1 ZINC000585280238 557219680 /nfs/dbraw/zinc/21/96/80/557219680.db2.gz KFYKXGYQEFMWFD-XMMPIXPASA-N 1 0 441.959 4.021 40 0 IIABRO COc1ccc(OC)c(C[NH+]2CCC([C@@H](NC(=O)CC(C)C)c3ccccn3)CC2)c1 ZINC000057774018 557263546 /nfs/dbraw/zinc/26/35/46/557263546.db2.gz BQOLDRJBAWEMME-RUZDIDTESA-N 1 0 425.573 4.214 40 0 IIABRO COc1cccc(C[NH+]2CCC([C@@H](NC(=O)CC(C)C)c3ccccn3)CC2)c1OC ZINC000057774007 557263636 /nfs/dbraw/zinc/26/36/36/557263636.db2.gz BEZKBJQOCLQTQD-XMMPIXPASA-N 1 0 425.573 4.214 40 0 IIABRO C[N@H+](CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1)C1CCCCC1 ZINC000013565789 557343457 /nfs/dbraw/zinc/34/34/57/557343457.db2.gz YRLWECYRTZTXFI-UHFFFAOYSA-N 1 0 438.597 4.312 40 0 IIABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(I)cc1 ZINC000044873457 557352473 /nfs/dbraw/zinc/35/24/73/557352473.db2.gz VQCASNLVCJTCGQ-UHFFFAOYSA-N 1 0 434.321 4.207 40 0 IIABRO COc1cccc(-c2cnc(N)nc2[C@@H]2CCCC[N@@H+]2Cc2ccc3nccnc3c2)c1 ZINC000072377123 557389354 /nfs/dbraw/zinc/38/93/54/557389354.db2.gz JRCCMKWXKDJPSW-QHCPKHFHSA-N 1 0 426.524 4.405 40 0 IIABRO COc1ccccc1N1CC[NH+](C[C@@H](O)COCC(c2ccccc2)c2ccccc2)CC1 ZINC000040373113 557414595 /nfs/dbraw/zinc/41/45/95/557414595.db2.gz CTQHTMZCQNIYCN-RUZDIDTESA-N 1 0 446.591 4.027 40 0 IIABRO Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000223198025 557444952 /nfs/dbraw/zinc/44/49/52/557444952.db2.gz QLOCHLGRACLNEY-PYCFMQQDSA-N 1 0 425.598 4.210 40 0 IIABRO CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1 ZINC000223238362 557449817 /nfs/dbraw/zinc/44/98/17/557449817.db2.gz PTMFFBSAEZUESR-ZEQRLZLVSA-N 1 0 449.624 4.195 40 0 IIABRO C[NH+]1CCC(Oc2ccc(NS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)CC1 ZINC000223668446 557499745 /nfs/dbraw/zinc/49/97/45/557499745.db2.gz HSOFILNXYXHMKM-UHFFFAOYSA-N 1 0 430.570 4.064 40 0 IIABRO COc1cc2c(cc1S(=O)(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)CCCC2 ZINC000224538646 557618258 /nfs/dbraw/zinc/61/82/58/557618258.db2.gz FEYSRHBVGVDDJT-UHFFFAOYSA-N 1 0 428.598 4.038 40 0 IIABRO COc1cc(C[NH+]2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)cc(OC)c1OC ZINC000225229249 557702864 /nfs/dbraw/zinc/70/28/64/557702864.db2.gz HOHMZCRALBJUAK-UHFFFAOYSA-N 1 0 433.936 4.152 40 0 IIABRO CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000225773230 557775524 /nfs/dbraw/zinc/77/55/24/557775524.db2.gz QFBGDQLORRLZAG-UHFFFAOYSA-N 1 0 441.597 4.131 40 0 IIABRO Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3ccc(OCc4nccn4C)cc3)CC2)cc1 ZINC000585270003 568616654 /nfs/dbraw/zinc/61/66/54/568616654.db2.gz AMFRDXIPLMHDHQ-SANMLTNESA-N 1 0 435.568 4.104 40 0 IIABRO COc1cccc(-c2cccc(C[N@@H+]3CCC[C@@](C(=O)N(C)C)(c4ccccn4)C3)c2)c1 ZINC000257205916 568667885 /nfs/dbraw/zinc/66/78/85/568667885.db2.gz BBBDSRWRMYSOGN-MHZLTWQESA-N 1 0 429.564 4.379 40 0 IIABRO Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2cccc(OCC[NH+]3CCCC3)c2)n1 ZINC000257218362 568673445 /nfs/dbraw/zinc/67/34/45/568673445.db2.gz DCVVMDSJBKQORP-XMMPIXPASA-N 1 0 445.567 4.028 40 0 IIABRO CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)[nH+]3)C2)CC1 ZINC000257218769 568673714 /nfs/dbraw/zinc/67/37/14/568673714.db2.gz DEIUROWEXCJPOI-HXUWFJFHSA-N 1 0 438.547 4.237 40 0 IIABRO O=C(c1ccc(OCC[NH+]2CCCC2)cc1)N1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000257238496 568683217 /nfs/dbraw/zinc/68/32/17/568683217.db2.gz HLFSDZQOKAVHDY-OCYIUTNCSA-N 1 0 434.580 4.229 40 0 IIABRO Cn1nc([C@H]2CN(Cc3ccccc3Cl)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257248202 568687546 /nfs/dbraw/zinc/68/75/46/568687546.db2.gz JCPUDRNJLCCPOM-HSZRJFAPSA-N 1 0 429.923 4.408 40 0 IIABRO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@@H+]3Cc2ccccc2)o1 ZINC000257251447 568689444 /nfs/dbraw/zinc/68/94/44/568689444.db2.gz JQUKHSSGUSASIZ-TWJOJJKGSA-N 1 0 443.591 4.472 40 0 IIABRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccccc4OCC[NH+]4CCCC4)C3)OC2=O)cc1 ZINC000257277778 568701218 /nfs/dbraw/zinc/70/12/18/568701218.db2.gz NZIAPIXHDVRQJY-SANMLTNESA-N 1 0 435.568 4.071 40 0 IIABRO CNC(=O)c1cccc([C@H]2C[N@H+](Cc3ccccc3-c3ccccc3F)CCN2C(C)=O)c1 ZINC000257278554 568701691 /nfs/dbraw/zinc/70/16/91/568701691.db2.gz OCRUVXSBZDUROX-AREMUKBSSA-N 1 0 445.538 4.258 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 ZINC000257295824 568709151 /nfs/dbraw/zinc/70/91/51/568709151.db2.gz RABDHUWCEQBLKL-QFIPXVFZSA-N 1 0 429.564 4.162 40 0 IIABRO CCOc1cc2c(cc1C[NH+]1CCC(c3cncc(Nc4cnccn4)n3)CC1)O[C@H](C)C2 ZINC000257300670 568711705 /nfs/dbraw/zinc/71/17/05/568711705.db2.gz RVGDJIVCNQNXQK-QGZVFWFLSA-N 1 0 446.555 4.112 40 0 IIABRO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cn1 ZINC000257304954 568713603 /nfs/dbraw/zinc/71/36/03/568713603.db2.gz SNWBFVRJGMWBNT-LJQANCHMSA-N 1 0 438.601 4.257 40 0 IIABRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCCC(=O)Nc1nccs1 ZINC000257320635 568720246 /nfs/dbraw/zinc/72/02/46/568720246.db2.gz VXRGXDHYEDYJEF-MOPGFXCFSA-N 1 0 444.601 4.277 40 0 IIABRO COCCc1ncc(C[NH+]2CCC(c3cccc(Nc4nc(C)c(C)s4)n3)CC2)cn1 ZINC000257323195 568721283 /nfs/dbraw/zinc/72/12/83/568721283.db2.gz WJDCSOZJDXCAOJ-UHFFFAOYSA-N 1 0 438.601 4.257 40 0 IIABRO CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000257323044 568721427 /nfs/dbraw/zinc/72/14/27/568721427.db2.gz WINMTLMVXXHXPX-UHFFFAOYSA-N 1 0 446.595 4.130 40 0 IIABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)[nH+]1 ZINC000257326840 568723106 /nfs/dbraw/zinc/72/31/06/568723106.db2.gz WYUZNGGWVNEUOB-IBGZPJMESA-N 1 0 433.531 4.164 40 0 IIABRO COc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCN(Cc4ccccn4)C(=O)C[C@H]23)cc1 ZINC000306124298 568763199 /nfs/dbraw/zinc/76/31/99/568763199.db2.gz BMEVGTMXBBBJPZ-XCZPVHLTSA-N 1 0 441.575 4.425 40 0 IIABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1cccc(Cl)c1)C[C@@H]2c1cccnc1 ZINC000306127556 568764696 /nfs/dbraw/zinc/76/46/96/568764696.db2.gz GBWDKXHDCFSKEL-AOYPEHQESA-N 1 0 447.966 4.132 40 0 IIABRO O=C(Nc1ccccc1)c1nnc2n1CC[C@@H]1C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000306133662 568767956 /nfs/dbraw/zinc/76/79/56/568767956.db2.gz MSJWOUXTXWFIFV-VQIMIIECSA-N 1 0 441.457 4.169 40 0 IIABRO Cc1cccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC000306138025 568770382 /nfs/dbraw/zinc/77/03/82/568770382.db2.gz RMZPFTMMHLZUFD-SQHAQQRYSA-N 1 0 443.595 4.186 40 0 IIABRO C[NH+](C)CCCNc1nc(Nc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329043044 568810036 /nfs/dbraw/zinc/81/00/36/568810036.db2.gz SQCRJPOXCANDFT-UHFFFAOYSA-N 1 0 449.452 4.132 40 0 IIABRO C[C@]1(N(CC[NH2+]Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)CCS(=O)(=O)C1 ZINC000575421189 568863138 /nfs/dbraw/zinc/86/31/38/568863138.db2.gz NLTHEIGQTUZLFT-NRFANRHFSA-N 1 0 441.424 4.162 40 0 IIABRO FC(F)(F)c1ccc(Br)c(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228936161 569182323 /nfs/dbraw/zinc/18/23/23/569182323.db2.gz BUBJBMAEWHJIGX-UHFFFAOYSA-N 1 0 441.255 4.276 40 0 IIABRO C[C@H](C[N@@H+]1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000019456133 569226539 /nfs/dbraw/zinc/22/65/39/569226539.db2.gz CWEQXDYGNOMOSU-IFMALSPDSA-N 1 0 430.600 4.460 40 0 IIABRO COc1ccc(C[N@@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3CCC[C@@H]32)cc1OC ZINC000019560760 569226992 /nfs/dbraw/zinc/22/69/92/569226992.db2.gz UIOSSFKUWOMODX-ZCNNSNEGSA-N 1 0 427.541 4.498 40 0 IIABRO COCc1cc(C[N@@H+]2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)ccc1OC(C)C ZINC000019702517 569232099 /nfs/dbraw/zinc/23/20/99/569232099.db2.gz KKTHONHBDXXXHJ-KRWDZBQOSA-N 1 0 439.581 4.318 40 0 IIABRO Cc1cc(C)n2ncc(C[N@@H+]3CC[C@H](c4cc(COc5ccc(Cl)cc5)[nH]n4)C3)c2n1 ZINC000019704370 569233244 /nfs/dbraw/zinc/23/32/44/569233244.db2.gz KXLDIEUMYYGPFC-KRWDZBQOSA-N 1 0 436.947 4.291 40 0 IIABRO Cc1cc(C)n2ncc(C[N@@H+]3CC[C@@H](c4cc(COc5ccc(Cl)cc5)[nH]n4)C3)c2n1 ZINC000019704369 569233304 /nfs/dbraw/zinc/23/33/04/569233304.db2.gz KXLDIEUMYYGPFC-QGZVFWFLSA-N 1 0 436.947 4.291 40 0 IIABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3cccnc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704898 569233855 /nfs/dbraw/zinc/23/38/55/569233855.db2.gz FSJRCWBWEHSKCN-XMMPIXPASA-N 1 0 441.572 4.481 40 0 IIABRO Cc1nc([C@]2(O)CCC[N@@H+](C3CCOCC3)CC2)sc1CCOc1ccccc1F ZINC000019705371 569234132 /nfs/dbraw/zinc/23/41/32/569234132.db2.gz DJRBLDOJFKIFLO-QHCPKHFHSA-N 1 0 434.577 4.065 40 0 IIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3noc(C)c3Cn3cccn3)cc2)C1 ZINC000019711850 569235026 /nfs/dbraw/zinc/23/50/26/569235026.db2.gz AWEUJFZSIFVOAP-IRLDBZIGSA-N 1 0 437.544 4.042 40 0 IIABRO Cc1nc2ccccn2c1C[N@H+]1CC[C@H](c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)C1 ZINC000019738979 569236301 /nfs/dbraw/zinc/23/63/01/569236301.db2.gz NFZJGJCPLNEOOO-FQEVSTJZSA-N 1 0 446.599 4.056 40 0 IIABRO Cc1ccc(C2(C(=O)N(C)Cc3cc(N(C)C)nc([C@H]4CCC[NH2+]4)n3)CCCCC2)cc1 ZINC000019760184 569237507 /nfs/dbraw/zinc/23/75/07/569237507.db2.gz AHNQQIAMBIRLSS-JOCHJYFZSA-N 1 0 435.616 4.136 40 0 IIABRO COc1ccc(C[NH+]2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)cc1OC ZINC000019700339 569327185 /nfs/dbraw/zinc/32/71/85/569327185.db2.gz BVUKKOHTHMDRFQ-UHFFFAOYSA-N 1 0 445.563 4.076 40 0 IIABRO CNc1cc(C2CC[NH2+]CC2)nc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)n1 ZINC000019710084 569327429 /nfs/dbraw/zinc/32/74/29/569327429.db2.gz NKFPCTZAVBMSOL-UHFFFAOYSA-N 1 0 431.540 4.050 40 0 IIABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CC[N@H+](Cc4cccc(C)c4)C3)nc2C)c1 ZINC000019758088 569328696 /nfs/dbraw/zinc/32/86/96/569328696.db2.gz AHVSPTDNJODFMZ-JOCHJYFZSA-N 1 0 430.552 4.022 40 0 IIABRO C[NH+](C)CCCNc1nc(-c2cccnc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329060575 569582811 /nfs/dbraw/zinc/58/28/11/569582811.db2.gz WMPGEVBKAKESPY-UHFFFAOYSA-N 1 0 432.359 4.648 40 0 IIABRO COc1ccccc1CNC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1 ZINC000012482326 524465085 /nfs/dbraw/zinc/46/50/85/524465085.db2.gz PVVYRBSTQSTDAT-UNMCSNQZSA-N 1 0 439.600 4.281 40 0 biogenic,in-vitro IIABRO COc1cc(NC(=[NH2+])Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)cc(OC)c1 ZINC000009935250 556318609 /nfs/dbraw/zinc/31/86/09/556318609.db2.gz MUAFEDRMPSCGPB-UHFFFAOYSA-N 1 0 445.932 4.192 40 0 IIABRO O=C(COc1ccc(Cl)cc1Br)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462680 556537803 /nfs/dbraw/zinc/53/78/03/556537803.db2.gz UHEVLYQLPJAEKT-UHFFFAOYSA-N 1 0 437.765 4.394 40 0 IIABRO C[C@@H](C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1)[NH+]1CCCC1 ZINC000019078735 556695556 /nfs/dbraw/zinc/69/55/56/556695556.db2.gz QYNZWUREGWOSCQ-WMZHIEFXSA-N 1 0 442.567 4.430 40 0 IIABRO COc1cccc(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1OC ZINC000019082064 556697011 /nfs/dbraw/zinc/69/70/11/556697011.db2.gz WJHLYLIHZQTODK-JOCHJYFZSA-N 1 0 425.573 4.214 40 0 IIABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019084446 556698507 /nfs/dbraw/zinc/69/85/07/556698507.db2.gz NSQZLUIKOWJEHY-XZOQPEGZSA-N 1 0 425.569 4.377 40 0 IIABRO Cc1c([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)c2ccccc2n1C ZINC000019125115 556702904 /nfs/dbraw/zinc/70/29/04/556702904.db2.gz SYZLCWWVGVIYLK-DNQXCXABSA-N 1 0 434.580 4.488 40 0 IIABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133979 556705332 /nfs/dbraw/zinc/70/53/32/556705332.db2.gz IVEKBJLYLDIVRD-FQEVSTJZSA-N 1 0 432.572 4.164 40 0 IIABRO COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NCC(C)(C)C[NH+](C)C)CCCO2)cc1 ZINC000257260859 556712323 /nfs/dbraw/zinc/71/23/23/556712323.db2.gz LETFYPFJKGSUJG-SANMLTNESA-N 1 0 442.575 4.297 40 0 IIABRO C[NH+]1CCC(Cc2ccccc2)(C(=O)N2CCOC[C@@H](Cc3cccc4occc43)C2)CC1 ZINC000257271129 556713833 /nfs/dbraw/zinc/71/38/33/556713833.db2.gz MWZNDDYOFHNZHW-QHCPKHFHSA-N 1 0 446.591 4.405 40 0 IIABRO CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CC[N@H+](Cc2cccc(C)c2OC)C1 ZINC000019235899 556720553 /nfs/dbraw/zinc/72/05/53/556720553.db2.gz AAZNGUULZCHZJH-MHZLTWQESA-N 1 0 429.564 4.246 40 0 IIABRO Cn1cc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)c2ccccc21 ZINC000019290366 556730558 /nfs/dbraw/zinc/73/05/58/556730558.db2.gz OETSIMZPOQHOSF-FGZHOGPDSA-N 1 0 426.944 4.216 40 0 IIABRO Oc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000019374122 556750620 /nfs/dbraw/zinc/75/06/20/556750620.db2.gz FYVXUOWXUSIGAV-JWQCQUIFSA-N 1 0 431.532 4.443 40 0 IIABRO Nc1cc([C@@H]2CCC[N@H+](Cc3coc4ccccc4c3=O)C2)nc2cc(-c3ccco3)nn21 ZINC000019375881 556751644 /nfs/dbraw/zinc/75/16/44/556751644.db2.gz HXWLWEJIJYBJMY-MRXNPFEDSA-N 1 0 441.491 4.058 40 0 IIABRO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019447328 556756467 /nfs/dbraw/zinc/75/64/67/556756467.db2.gz KIPVMYZGOJSBEE-MHZLTWQESA-N 1 0 428.580 4.351 40 0 IIABRO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019447344 556756709 /nfs/dbraw/zinc/75/67/09/556756709.db2.gz KQFPFQRXJRKTFR-MHZLTWQESA-N 1 0 428.580 4.351 40 0 IIABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@H+](Cc3cccn3C(C)C)C1)O2 ZINC000019454984 556765229 /nfs/dbraw/zinc/76/52/29/556765229.db2.gz MMADUJRTUVNODE-NLFFAJNJSA-N 1 0 425.573 4.099 40 0 IIABRO CCc1ncc(C[N@@H+]2CCC[C@](Cc3ccccc3-c3ccccc3)(C(=O)NC)C2)cn1 ZINC000019523372 556780674 /nfs/dbraw/zinc/78/06/74/556780674.db2.gz PKFOOAKUJWUMJP-HHHXNRCGSA-N 1 0 428.580 4.277 40 0 IIABRO CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CC[N@H+](Cc2cnc(CC)nc2)C1 ZINC000019523324 556780820 /nfs/dbraw/zinc/78/08/20/556780820.db2.gz NVFABMTYTDHDNR-RUZDIDTESA-N 1 0 434.609 4.338 40 0 IIABRO CCn1c(C)c(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)CCCCC(=O)N3)c2cc(OC)ccc21 ZINC000019523871 556781042 /nfs/dbraw/zinc/78/10/42/556781042.db2.gz RKNQZRJSYBDFFU-RPLLCQBOSA-N 1 0 446.595 4.402 40 0 IIABRO CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)n[nH]2)c1C ZINC000019523866 556781147 /nfs/dbraw/zinc/78/11/47/556781147.db2.gz RXRGJZBFQKPUCJ-UHFFFAOYSA-N 1 0 436.560 4.027 40 0 IIABRO CCNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000019528755 556789097 /nfs/dbraw/zinc/78/90/97/556789097.db2.gz GTOFSQUYFYXZJQ-MHZLTWQESA-N 1 0 446.595 4.057 40 0 IIABRO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000019529141 556790543 /nfs/dbraw/zinc/79/05/43/556790543.db2.gz LWNIKKVDEDACHZ-MHZLTWQESA-N 1 0 429.564 4.328 40 0 IIABRO CCOc1c(Cl)cc(C[NH+]2CCC(c3cc(N)n4nc(C)cc4n3)CC2)cc1OC ZINC000019531342 556791838 /nfs/dbraw/zinc/79/18/38/556791838.db2.gz ZVUVLVIQXIVTPM-UHFFFAOYSA-N 1 0 429.952 4.060 40 0 IIABRO COc1ccc(OC)c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)CCc2ccco2)c1 ZINC000019552619 556796478 /nfs/dbraw/zinc/79/64/78/556796478.db2.gz NMTNWPIKOMGDAG-BJKOFHAPSA-N 1 0 434.536 4.014 40 0 IIABRO CCc1ccc2[nH]c(=O)c(CN(C(=S)NCCC[NH+](C)C)C3CCCCC3)cc2c1 ZINC000004132023 556819012 /nfs/dbraw/zinc/81/90/12/556819012.db2.gz DEAWRZMJZSEIQL-UHFFFAOYSA-N 1 0 428.646 4.051 40 0 IIABRO CC1(C)CC(CC(=O)N2CCC[C@H]2c2ccc(-c3cccc(C(N)=O)c3)cn2)CC(C)(C)[NH2+]1 ZINC000019688946 556843649 /nfs/dbraw/zinc/84/36/49/556843649.db2.gz GOUJEZUDHMUJMV-QHCPKHFHSA-N 1 0 448.611 4.458 40 0 IIABRO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000008680698 556844441 /nfs/dbraw/zinc/84/44/41/556844441.db2.gz GCPQPOUIAUKDFC-HNNXBMFYSA-N 1 0 443.473 4.065 40 0 IIABRO O=C(C[NH+]1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1)N1CCCC1 ZINC000019690272 556845889 /nfs/dbraw/zinc/84/58/89/556845889.db2.gz WQVLTIMFKQHHFJ-UHFFFAOYSA-N 1 0 431.502 4.493 40 0 IIABRO Cc1ccc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)CC2)cc1C ZINC000019695277 556851733 /nfs/dbraw/zinc/85/17/33/556851733.db2.gz VZGCHBCQZHDICT-UHFFFAOYSA-N 1 0 443.595 4.305 40 0 IIABRO CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c(C2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000019695288 556851967 /nfs/dbraw/zinc/85/19/67/556851967.db2.gz BQIVLTYLBRZNGK-UHFFFAOYSA-N 1 0 444.505 4.342 40 0 IIABRO CNC(=O)c1[nH]c(C2CC[NH+](Cc3cccc(C)c3OC)CC2)nc1-c1ccc(OC)cc1 ZINC000019696998 556854069 /nfs/dbraw/zinc/85/40/69/556854069.db2.gz MPMBZJLBMNEXMO-UHFFFAOYSA-N 1 0 448.567 4.142 40 0 IIABRO CC(C)n1cc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)N3CCOCC3)cn2)c2ccccc21 ZINC000019708172 556868373 /nfs/dbraw/zinc/86/83/73/556868373.db2.gz NNQRFEUJFKSYIK-VWLOTQADSA-N 1 0 432.568 4.427 40 0 IIABRO CCCOc1ccccc1C[NH+]1CCC(Cc2nc(C)ncc2C(=O)N2CCCC2)CC1 ZINC000019757209 556901423 /nfs/dbraw/zinc/90/14/23/556901423.db2.gz MBQBGBOGXUVSEY-UHFFFAOYSA-N 1 0 436.600 4.265 40 0 IIABRO CCn1cc(C[N@@H+]2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)c2cc(OC)ccc21 ZINC000019761973 556905857 /nfs/dbraw/zinc/90/58/57/556905857.db2.gz JLGXFCNUXIUHJO-KRWDZBQOSA-N 1 0 428.536 4.306 40 0 IIABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1)[C@@H]1CCCO1 ZINC000072330604 556906693 /nfs/dbraw/zinc/90/66/93/556906693.db2.gz YHUKXGSHORGOJF-NYVOZVTQSA-N 1 0 447.501 4.349 40 0 IIABRO Cc1nc(C2CC[NH+](CCOc3ccc(F)cc3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764175 556908705 /nfs/dbraw/zinc/90/87/05/556908705.db2.gz GADJEKFFDASMHC-UHFFFAOYSA-N 1 0 434.515 4.435 40 0 IIABRO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(N)=O)C1 ZINC000072352204 556923292 /nfs/dbraw/zinc/92/32/92/556923292.db2.gz GMIAEZCDYWDADR-IBGZPJMESA-N 1 0 435.593 4.227 40 0 IIABRO C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000072352571 556924522 /nfs/dbraw/zinc/92/45/22/556924522.db2.gz QUYKWECGYXBSHK-LJQANCHMSA-N 1 0 430.577 4.479 40 0 IIABRO CC1(C)CC(CC(=O)N2CCC[C@H](c3ccc(Nc4ncccn4)cn3)C2)CC(C)(C)[NH2+]1 ZINC000072353430 556926475 /nfs/dbraw/zinc/92/64/75/556926475.db2.gz JZLVGGVKMWFINM-IBGZPJMESA-N 1 0 436.604 4.268 40 0 IIABRO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@@H+](Cc3cn(C)c4ccc(F)cc34)C2)n1 ZINC000072353752 556928024 /nfs/dbraw/zinc/92/80/24/556928024.db2.gz VSYGHIGIEDRKRO-QGZVFWFLSA-N 1 0 430.531 4.440 40 0 IIABRO COc1ccc(CCN2C(=O)Cc3c2nc([C@H]2CCC[N@@H+](C4CCCCC4)C2)nc3C)cc1 ZINC000072355731 556930496 /nfs/dbraw/zinc/93/04/96/556930496.db2.gz SMVHIYSWBFIZDX-NRFANRHFSA-N 1 0 448.611 4.438 40 0 IIABRO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@@H+]1Cc1cnc(C)s1 ZINC000072370325 556934374 /nfs/dbraw/zinc/93/43/74/556934374.db2.gz WNWBXZSFILFXRZ-MRXNPFEDSA-N 1 0 429.611 4.250 40 0 IIABRO Cc1c(C[N@@H+]2CC[C@H](c3cc(CCOc4ccccc4C(F)(F)F)n[nH]3)C2)cnn1C ZINC000072371461 556939010 /nfs/dbraw/zinc/93/90/10/556939010.db2.gz XKFMRJSGQSCWPO-INIZCTEOSA-N 1 0 433.478 4.081 40 0 IIABRO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371744 556940841 /nfs/dbraw/zinc/94/08/41/556940841.db2.gz ZWIWVRRYTKCOPU-QGZVFWFLSA-N 1 0 425.964 4.135 40 0 IIABRO CC[NH+]1CCC(CC(=O)N2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)CC1 ZINC000072371806 556941100 /nfs/dbraw/zinc/94/11/00/556941100.db2.gz HHKKWEVRTIMPBI-LJQANCHMSA-N 1 0 445.007 4.123 40 0 IIABRO COc1cccc(CN2C(=O)Cc3c2nc(C2CC[NH+](C4CCCCC4)CC2)nc3C)c1 ZINC000072371940 556941409 /nfs/dbraw/zinc/94/14/09/556941409.db2.gz FZWWVZRGYJVFRO-UHFFFAOYSA-N 1 0 434.584 4.395 40 0 IIABRO Cc1nc(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000072371967 556941545 /nfs/dbraw/zinc/94/15/45/556941545.db2.gz PZUCXBSGWIPOPT-JOCHJYFZSA-N 1 0 430.596 4.453 40 0 IIABRO Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)c1 ZINC000409073777 556946747 /nfs/dbraw/zinc/94/67/47/556946747.db2.gz SZUNWUSQLNRCPF-HCOVDNQSSA-O 1 0 426.540 4.135 40 0 IIABRO Cc1cccc(Nc2ccc(C3CC[NH+](Cc4ccc5c(c4)n(C)c(=O)n5C)CC3)nc2)n1 ZINC000072374310 556947629 /nfs/dbraw/zinc/94/76/29/556947629.db2.gz NFBXPPGNKVOOAF-UHFFFAOYSA-N 1 0 442.567 4.099 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(OC)c1 ZINC000072398578 556970048 /nfs/dbraw/zinc/97/00/48/556970048.db2.gz BWUHHFMUGQHLPG-XXBNENTESA-N 1 0 425.573 4.214 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1OC ZINC000072398586 556970397 /nfs/dbraw/zinc/97/03/97/556970397.db2.gz ZJQDQLLDDBJSPI-GCJKJVERSA-N 1 0 425.573 4.214 40 0 IIABRO CC(C)[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC000585107519 557038555 /nfs/dbraw/zinc/03/85/55/557038555.db2.gz YTGVWKPQEBGNLT-HHHXNRCGSA-N 1 0 446.570 4.474 40 0 IIABRO Cc1ccc(C(=O)N(CCC[NH3+])[C@@H](c2nc3cc(Cl)ccc3c(=O)[nH]2)C(C)C)cc1 ZINC000090408726 557134502 /nfs/dbraw/zinc/13/45/02/557134502.db2.gz YUPYFGDJIPCUQQ-HXUWFJFHSA-N 1 0 426.948 4.073 40 0 IIABRO O=S(=O)(c1ccccc1)N1C[C@@H]2C[NH+](CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000096080830 557168646 /nfs/dbraw/zinc/16/86/46/557168646.db2.gz IOXUDIDTWOVGEN-ZEQRLZLVSA-N 1 0 432.589 4.071 40 0 IIABRO Cc1nccn1CCOc1cccc(C[NH+]2CCC(O)(COc3ccc(C)cc3C)CC2)c1 ZINC000585271827 557216202 /nfs/dbraw/zinc/21/62/02/557216202.db2.gz KKFIPHQSPUPATO-UHFFFAOYSA-N 1 0 449.595 4.293 40 0 IIABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000585271855 557216279 /nfs/dbraw/zinc/21/62/79/557216279.db2.gz DQGPBSNLHAOLLX-UHFFFAOYSA-N 1 0 437.367 4.170 40 0 IIABRO COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)n2)cc1 ZINC000219241799 557232547 /nfs/dbraw/zinc/23/25/47/557232547.db2.gz AXWXFYQXADHXFA-GOSISDBHSA-N 1 0 434.540 4.249 40 0 IIABRO COc1cccc(C[NH+]2CCC([C@H](NC(=O)CC(C)C)c3ccccn3)CC2)c1OC ZINC000057774010 557263645 /nfs/dbraw/zinc/26/36/45/557263645.db2.gz BEZKBJQOCLQTQD-DEOSSOPVSA-N 1 0 425.573 4.214 40 0 IIABRO COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022928542 557271638 /nfs/dbraw/zinc/27/16/38/557271638.db2.gz BRPBAGSWPGWOKS-XMMPIXPASA-N 1 0 438.620 4.227 40 0 IIABRO CC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2cc(C)no2)CC1 ZINC000100743697 557274305 /nfs/dbraw/zinc/27/43/05/557274305.db2.gz ASFLOVJFLPKMHH-HBMCJLEFSA-N 1 0 439.604 4.403 40 0 IIABRO O=C(CCc1ccc(F)cc1)N1CC[N@H+](Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072355238 557387471 /nfs/dbraw/zinc/38/74/71/557387471.db2.gz DQAVHNPGCGPDGC-DEOSSOPVSA-N 1 0 431.555 4.357 40 0 IIABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000016688067 557475155 /nfs/dbraw/zinc/47/51/55/557475155.db2.gz BEBOPSZXVHULGT-INIZCTEOSA-N 1 0 429.152 4.434 40 0 IIABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000016688066 557475216 /nfs/dbraw/zinc/47/52/16/557475216.db2.gz BEBOPSZXVHULGT-MRXNPFEDSA-N 1 0 429.152 4.434 40 0 IIABRO COc1cccc(OC)c1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000017097596 557479475 /nfs/dbraw/zinc/47/94/75/557479475.db2.gz QDYPKFSHLYLWEM-UHFFFAOYSA-N 1 0 431.536 4.278 40 0 IIABRO C[NH+]1CCN(c2ccc(NC(=S)NCC3(c4cccc(Cl)c4)CCCC3)cn2)CC1 ZINC000223988953 557540106 /nfs/dbraw/zinc/54/01/06/557540106.db2.gz KPFJRYZCTZHBFJ-UHFFFAOYSA-N 1 0 444.048 4.285 40 0 IIABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1I ZINC000224647725 557635891 /nfs/dbraw/zinc/63/58/91/557635891.db2.gz BGELOVWDQJWRLY-UHFFFAOYSA-N 1 0 434.321 4.207 40 0 IIABRO O=S(=O)(Cc1cccc(Br)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224850283 557658675 /nfs/dbraw/zinc/65/86/75/557658675.db2.gz ZZYXWDNPEICUPR-UHFFFAOYSA-N 1 0 437.403 4.055 40 0 IIABRO O=C(Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1)N1CCCC1 ZINC000225904581 557789972 /nfs/dbraw/zinc/78/99/72/557789972.db2.gz BXEZSHVYHYUDHZ-OAQYLSRUSA-N 1 0 439.987 4.356 40 0 IIABRO C[N@H+](Cc1ccc(F)cc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000585262345 568616410 /nfs/dbraw/zinc/61/64/10/568616410.db2.gz QFJYODMFBUKPMA-LUKWVAJMSA-N 1 0 444.547 4.122 40 0 IIABRO Cc1nc2cc([C@@H]3CC[N@H+](Cc4cccs4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257222539 568675506 /nfs/dbraw/zinc/67/55/06/568675506.db2.gz DTROUPFIERJCHY-GOSISDBHSA-N 1 0 439.629 4.244 40 0 IIABRO O=C(NCC[C@@H]1CCCCN1C(=O)c1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000257227143 568677577 /nfs/dbraw/zinc/67/75/77/568677577.db2.gz FNXMFBKPFZPHPF-DEOSSOPVSA-N 1 0 433.596 4.487 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257230160 568679061 /nfs/dbraw/zinc/67/90/61/568679061.db2.gz GBCDQOTYWHNHAY-LJQANCHMSA-N 1 0 433.531 4.188 40 0 IIABRO CC(C)N(C(=O)C[NH+]1CCC(c2cccc(Nc3cnccn3)n2)CC1)C1CCCCC1 ZINC000257247700 568687350 /nfs/dbraw/zinc/68/73/50/568687350.db2.gz JACASHVBHWCBQX-UHFFFAOYSA-N 1 0 436.604 4.364 40 0 IIABRO CCc1nnc(Nc2cccc([C@H]3CCCN(C(=O)CC[NH+]4CCC(C)CC4)C3)n2)s1 ZINC000257250911 568688978 /nfs/dbraw/zinc/68/89/78/568688978.db2.gz JONLHNOHSWXSIH-SFHVURJKSA-N 1 0 442.633 4.067 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCC[C@]2(CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000257263368 568694772 /nfs/dbraw/zinc/69/47/72/568694772.db2.gz LPNOMODPQUTIHF-HHHXNRCGSA-N 1 0 447.579 4.300 40 0 IIABRO Cc1nc2cc([C@@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257293004 568708023 /nfs/dbraw/zinc/70/80/23/568708023.db2.gz QNTZVGKVUYRKCU-QPPBQGQZSA-N 1 0 435.616 4.298 40 0 IIABRO O=C(c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1)N1CCOCC1 ZINC000257299957 568711200 /nfs/dbraw/zinc/71/12/00/568711200.db2.gz RSIJAQAQSGIDEX-IBGZPJMESA-N 1 0 446.576 4.240 40 0 IIABRO Cc1nc([C@H]2CC[N@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 ZINC000257316957 568718562 /nfs/dbraw/zinc/71/85/62/568718562.db2.gz VHRZTHUEFRZXAW-QHCPKHFHSA-N 1 0 446.570 4.123 40 0 IIABRO COCc1cc(C[NH+]2CCC(c3cncc(Nc4cnccn4)n3)CC2)ccc1OC(C)C ZINC000257333977 568725929 /nfs/dbraw/zinc/72/59/29/568725929.db2.gz YDZDDXHPSKMSQE-UHFFFAOYSA-N 1 0 448.571 4.323 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CC[C@]2(C1)CN(c1cccc(Cl)c1)C(=O)O2 ZINC000257344987 568730770 /nfs/dbraw/zinc/73/07/70/568730770.db2.gz ZZMDWIBYUGOQPJ-DEOSSOPVSA-N 1 0 439.943 4.177 40 0 IIABRO CC(C)n1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306128229 568764925 /nfs/dbraw/zinc/76/49/25/568764925.db2.gz GUUHEQFOZGZRLA-JOCHJYFZSA-N 1 0 429.572 4.498 40 0 IIABRO Cc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCC[NH+](C)C)n1 ZINC000329047049 568810241 /nfs/dbraw/zinc/81/02/41/568810241.db2.gz UEFQNNNVRUDFLV-UHFFFAOYSA-N 1 0 445.489 4.220 40 0 IIABRO C[C@@]1(N(CC[NH2+]Cc2ccccc2Cl)Cc2ccccc2Cl)CCS(=O)(=O)C1 ZINC000575420042 568863343 /nfs/dbraw/zinc/86/33/43/568863343.db2.gz DQZVFHXIOQDRME-OAQYLSRUSA-N 1 0 441.424 4.162 40 0 IIABRO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5CC(=O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000137767127 568892617 /nfs/dbraw/zinc/89/26/17/568892617.db2.gz HIDAYMRWVVNXAO-RQPUSEGUSA-N 1 0 427.629 4.095 40 0 biogenic IIABRO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@@H]43)[nH]n2)cc1 ZINC000257199217 568921899 /nfs/dbraw/zinc/92/18/99/568921899.db2.gz WQOVXVNCVDVXHF-QPNVDGBVSA-N 1 0 432.568 4.121 40 0 IIABRO COc1ccc(C[N@@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3CCC[C@H]32)cc1OC ZINC000247910155 569206356 /nfs/dbraw/zinc/20/63/56/569206356.db2.gz UIOSSFKUWOMODX-VAMGGRTRSA-N 1 0 427.541 4.498 40 0 IIABRO CC(C)[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)[C@H](C)C1 ZINC000247969007 569206704 /nfs/dbraw/zinc/20/67/04/569206704.db2.gz CNVRDTJIEDZNDR-IFMALSPDSA-N 1 0 446.595 4.334 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCCN(Cc3ccc(F)cc3)C2)[N@H+](C)C1 ZINC000248139042 569207287 /nfs/dbraw/zinc/20/72/87/569207287.db2.gz PRHIXVSQKXXKFU-MIZPHKNDSA-N 1 0 425.548 4.005 40 0 IIABRO Cc1nc([C@]2(O)CCC[N@H+](CC3=CCCOC3)CC2)sc1CCOc1ccccc1 ZINC000019705235 569234167 /nfs/dbraw/zinc/23/41/67/569234167.db2.gz RGYQTIWMJMRPJE-DEOSSOPVSA-N 1 0 428.598 4.093 40 0 IIABRO CC[N@H+](Cc1cn(C)nc1C)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 ZINC000019712724 569235517 /nfs/dbraw/zinc/23/55/17/569235517.db2.gz OFHDAGCXLLJZED-RTWAWAEBSA-N 1 0 439.585 4.180 40 0 IIABRO CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000019739157 569236439 /nfs/dbraw/zinc/23/64/39/569236439.db2.gz QRFHVDGAIKGFNO-VWLOTQADSA-N 1 0 443.563 4.263 40 0 IIABRO Cc1ccc(C2(C(=O)N(C)Cc3cc(N(C)C)nc([C@@H]4CCC[NH2+]4)n3)CCCCC2)cc1 ZINC000019760180 569237514 /nfs/dbraw/zinc/23/75/14/569237514.db2.gz AHNQQIAMBIRLSS-QFIPXVFZSA-N 1 0 435.616 4.136 40 0 IIABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2cccc3c(Cl)cccc23)CC1 ZINC000033402239 569243802 /nfs/dbraw/zinc/24/38/02/569243802.db2.gz WYDOJVOFZFNWTA-UHFFFAOYSA-N 1 0 438.984 4.372 40 0 IIABRO COc1ccc([N+]2=C3CCCCCN3[C@@](O)(c3ccc(Br)cc3)C2)c(OC)c1 ZINC000027525115 569263004 /nfs/dbraw/zinc/26/30/04/569263004.db2.gz RUQRMDFHZGEVPI-QFIPXVFZSA-N 1 0 446.365 4.117 40 0 IIABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)n1 ZINC000019694625 569326686 /nfs/dbraw/zinc/32/66/86/569326686.db2.gz ZNQKIXQNOMXHPS-HXUWFJFHSA-N 1 0 449.986 4.342 40 0 IIABRO COc1cccc(OCC[NH+]2CCC([C@H]3CC=CCN(Cc4ccccc4)C3=O)CC2)c1 ZINC000019698388 569326854 /nfs/dbraw/zinc/32/68/54/569326854.db2.gz WUVZHYXGNOUSTG-AREMUKBSSA-N 1 0 434.580 4.391 40 0 IIABRO Cc1cc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)ccc1Br ZINC000329014019 569583969 /nfs/dbraw/zinc/58/39/69/569583969.db2.gz MTQNBRDHPNCOMR-UHFFFAOYSA-N 1 0 426.362 4.932 40 0 IIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CCCCC2)Cc2cn(Cc3nccn3C)c3cccc1c23 ZINC000049171997 291379565 /nfs/dbraw/zinc/37/95/65/291379565.db2.gz ZPRPZRMPZPBKMC-VXKWHMMOSA-N 1 0 433.600 4.037 40 0 biogenic,in-vitro IIABRO CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)o2)cc1 ZINC000223284107 193962670 /nfs/dbraw/zinc/96/26/70/193962670.db2.gz VDWYZRIQFQOKPM-DHIUTWEWSA-N 1 0 436.581 4.274 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=S)NC1CCCCC1 ZINC000012709997 520646030 /nfs/dbraw/zinc/64/60/30/520646030.db2.gz ZUPDLRDMNTWOQZ-UHFFFAOYSA-N 1 0 428.646 4.188 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000012707251 520646348 /nfs/dbraw/zinc/64/63/48/520646348.db2.gz WVHJMSXZHAXLSV-UHFFFAOYSA-N 1 0 440.519 4.052 40 0 IIABRO COc1ccc(-c2nc(C3CC[NH+](Cc4ccc(OC(C)=O)cc4)CC3)cc(=O)[nH]2)cc1 ZINC000012219609 523225047 /nfs/dbraw/zinc/22/50/47/523225047.db2.gz SYSUQGFENSUVBZ-UHFFFAOYSA-N 1 0 433.508 4.163 40 0 IIABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@H+](Cc3ccc(OC)c(C)c3)C1)O2 ZINC000012235408 525538459 /nfs/dbraw/zinc/53/84/59/525538459.db2.gz IKQAXIIUWAIAGU-RLWLMLJZSA-N 1 0 438.568 4.034 40 0 IIABRO Cn1nnnc1SCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022109344 527659749 /nfs/dbraw/zinc/65/97/49/527659749.db2.gz UTXQEDUSIHZJSZ-UHFFFAOYSA-N 1 0 438.384 4.368 40 0 IIABRO O=C(CCC1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014907 556692104 /nfs/dbraw/zinc/69/21/04/556692104.db2.gz TWKJESVXRJCPLH-IBGZPJMESA-N 1 0 426.605 4.159 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1OC ZINC000019081937 556696657 /nfs/dbraw/zinc/69/66/57/556696657.db2.gz ZJQDQLLDDBJSPI-XMSQKQJNSA-N 1 0 425.573 4.214 40 0 IIABRO OC1(COc2ccc(C[N@@H+]3CCC[C@](O)(COc4ccccc4)C3)cc2)CCCCC1 ZINC000257206486 556702056 /nfs/dbraw/zinc/70/20/56/556702056.db2.gz BDROZWSUZJGKSU-AREMUKBSSA-N 1 0 425.569 4.167 40 0 IIABRO COCCOc1cc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000257332906 556705871 /nfs/dbraw/zinc/70/58/71/556705871.db2.gz XZHJMIIUIBMKGD-RUZDIDTESA-N 1 0 447.547 4.310 40 0 IIABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCOC[C@@H](Cc2cn3ccnc3cn2)C1 ZINC000257337683 556706777 /nfs/dbraw/zinc/70/67/77/556706777.db2.gz YTYHRZSALNWZML-FQEVSTJZSA-N 1 0 428.536 4.096 40 0 IIABRO Fc1cccc(COc2ccccc2C[N@@H+]2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257221085 556707824 /nfs/dbraw/zinc/70/78/24/556707824.db2.gz DNKIEROAYUSAER-NRFANRHFSA-N 1 0 446.526 4.139 40 0 IIABRO COc1ccccc1-c1cccc(CC2(C(=O)NCC[NH+]3CCCCC3)CCOCC2)c1 ZINC000257245630 556711116 /nfs/dbraw/zinc/71/11/16/556711116.db2.gz IQJQEVKKTQNZIG-UHFFFAOYSA-N 1 0 436.596 4.304 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 ZINC000257270524 556713743 /nfs/dbraw/zinc/71/37/43/556713743.db2.gz MUPMHXJDDHXTHC-BVAGGSTKSA-N 1 0 438.543 4.264 40 0 IIABRO C[NH+]1CCC(Cc2ccccc2)(C(=O)N2CCOC[C@H](Cc3cccc4occc43)C2)CC1 ZINC000257271128 556713902 /nfs/dbraw/zinc/71/39/02/556713902.db2.gz MWZNDDYOFHNZHW-HSZRJFAPSA-N 1 0 446.591 4.405 40 0 IIABRO Cc1ccn(CCCOc2ccc(C[NH+]3CCC(O)(COc4ccc(C)cc4)CC3)cc2)n1 ZINC000257291275 556716357 /nfs/dbraw/zinc/71/63/57/556716357.db2.gz QGIFJTHVWCQLMD-UHFFFAOYSA-N 1 0 449.595 4.375 40 0 IIABRO Cn1cc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)c2ccccc21 ZINC000019290367 556730538 /nfs/dbraw/zinc/73/05/38/556730538.db2.gz OETSIMZPOQHOSF-VXKWHMMOSA-N 1 0 426.944 4.216 40 0 IIABRO O=C(C1CCCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccs1)CC2 ZINC000019343570 556741338 /nfs/dbraw/zinc/74/13/38/556741338.db2.gz IHSHDMQBWRFRTN-NRFANRHFSA-N 1 0 440.613 4.024 40 0 IIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019346071 556742674 /nfs/dbraw/zinc/74/26/74/556742674.db2.gz JZQHDJOZFKUMQA-NHCUHLMSSA-N 1 0 430.907 4.345 40 0 IIABRO O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019370760 556748160 /nfs/dbraw/zinc/74/81/60/556748160.db2.gz HOUXZYYBYRYRQU-XMMPIXPASA-N 1 0 448.611 4.417 40 0 IIABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019448933 556758933 /nfs/dbraw/zinc/75/89/33/556758933.db2.gz YOZWYDXMBPIONO-MHZLTWQESA-N 1 0 428.580 4.493 40 0 IIABRO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002378404 556761183 /nfs/dbraw/zinc/76/11/83/556761183.db2.gz MYCKDCIJPLTQDW-OYLFLEFRSA-N 1 0 427.545 4.192 40 0 IIABRO CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000001328018 556773425 /nfs/dbraw/zinc/77/34/25/556773425.db2.gz OCKVDLLRLLFYDC-DEOSSOPVSA-N 1 0 447.631 4.406 40 0 IIABRO CCc1ncc(C[N@@H+]2CC[C@@](Cc3cccc(-c4cccs4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019523322 556780745 /nfs/dbraw/zinc/78/07/45/556780745.db2.gz PWPOLOHODYYOAK-VWLOTQADSA-N 1 0 434.609 4.291 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)cc1 ZINC000019533283 556793297 /nfs/dbraw/zinc/79/32/97/556793297.db2.gz YGYNLQQKHDYYME-XMMPIXPASA-N 1 0 429.564 4.280 40 0 IIABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)Cc4cccc(O)c4)CC3)CCCCC2)cc1 ZINC000019553830 556797480 /nfs/dbraw/zinc/79/74/80/556797480.db2.gz PCPNGIQDDHWKNQ-UHFFFAOYSA-N 1 0 436.596 4.426 40 0 IIABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)Cc4ccccc4O)CC3)CCCCC2)cc1 ZINC000019553833 556797551 /nfs/dbraw/zinc/79/75/51/556797551.db2.gz ONABRFQWPXBYBD-UHFFFAOYSA-N 1 0 436.596 4.426 40 0 IIABRO COc1ccc(C[NH+]2CCC([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)cc1 ZINC000019554956 556798254 /nfs/dbraw/zinc/79/82/54/556798254.db2.gz YNJLLOZHXISYNX-HHHXNRCGSA-N 1 0 429.564 4.402 40 0 IIABRO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+](Cc4ccccc4OC)C3)no2)cc1 ZINC000019555848 556799041 /nfs/dbraw/zinc/79/90/41/556799041.db2.gz QHNNPTYTWBIEGQ-IBGZPJMESA-N 1 0 435.524 4.001 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cc1OC ZINC000019560924 556802309 /nfs/dbraw/zinc/80/23/09/556802309.db2.gz XSFVYSWBGJHJJO-HHHXNRCGSA-N 1 0 445.563 4.076 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)C[C@H]2O ZINC000019563014 556804102 /nfs/dbraw/zinc/80/41/02/556804102.db2.gz HDDASCPPCRHHDJ-UXHICEINSA-N 1 0 438.351 4.386 40 0 IIABRO COc1cccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](Cc4cccc(OC)c4)C3)no2)c1 ZINC000019565613 556806192 /nfs/dbraw/zinc/80/61/92/556806192.db2.gz KLKMBDSJJBLAOP-FQEVSTJZSA-N 1 0 435.524 4.001 40 0 IIABRO COc1cccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CC[N@H+](Cc4cccc(F)c4F)C[C@@H]23)c1 ZINC000019566152 556806831 /nfs/dbraw/zinc/80/68/31/556806831.db2.gz JYIJLASDQHZVLR-FUDKSRODSA-N 1 0 426.507 4.200 40 0 IIABRO COc1ccccc1C1(O)CC[NH+](Cc2ccccc2OCc2ccc3c(c2)OCO3)CC1 ZINC000019569277 556809429 /nfs/dbraw/zinc/80/94/29/556809429.db2.gz KRSMXRGULDSDJW-UHFFFAOYSA-N 1 0 447.531 4.487 40 0 IIABRO Cc1nn(CC(=O)Nc2ccc(Oc3cc(C)nc(C4CC[NH2+]CC4)c3)cc2)c(C)c1C ZINC000019570470 556810418 /nfs/dbraw/zinc/81/04/18/556810418.db2.gz LHFZJUAEGRMKRU-UHFFFAOYSA-N 1 0 433.556 4.410 40 0 IIABRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)cc1Cn1nc(C)cc1C ZINC000019574426 556814507 /nfs/dbraw/zinc/81/45/07/556814507.db2.gz NMWDEUQXPASOSM-UHFFFAOYSA-N 1 0 435.568 4.049 40 0 IIABRO CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5([NH3+])CC5)c(OC)cc43)ccc21 ZINC000077024213 556823926 /nfs/dbraw/zinc/82/39/26/556823926.db2.gz CUDVHEFYRIWYQD-UHFFFAOYSA-N 1 0 443.503 4.419 40 0 investigational IIABRO O=C(C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1ccc2c(c1)CCC2 ZINC000008828634 556849510 /nfs/dbraw/zinc/84/95/10/556849510.db2.gz QEPIACIUXPDBPG-UHFFFAOYSA-N 1 0 443.473 4.214 40 0 IIABRO CN(C)c1ncccc1C[NH+]1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698461 556856670 /nfs/dbraw/zinc/85/66/70/556856670.db2.gz XHDXSGOLVABTLT-XMMPIXPASA-N 1 0 436.575 4.104 40 0 IIABRO CNc1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)C2(c3ccc(C)cc3)CCCCC2)n1 ZINC000019709979 556871624 /nfs/dbraw/zinc/87/16/24/556871624.db2.gz PNBQWAYCARKCES-FQEVSTJZSA-N 1 0 435.616 4.154 40 0 IIABRO Cn1cc(C[NH+]2CCC(c3cc(C(F)(F)F)c4c(N)n[nH]c4n3)CC2)c2ccccc21 ZINC000019744684 556891194 /nfs/dbraw/zinc/89/11/94/556891194.db2.gz ILWKKXOOQBFDRL-UHFFFAOYSA-N 1 0 428.462 4.430 40 0 IIABRO CCc1ncc(C[NH+]2CCC(Cc3cc(NCc4cccc(OC)c4)nc(C)n3)CC2)cn1 ZINC000019758876 556902597 /nfs/dbraw/zinc/90/25/97/556902597.db2.gz IXHAVCMXVMMDSZ-UHFFFAOYSA-N 1 0 446.599 4.213 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)cc1OC ZINC000072330393 556905477 /nfs/dbraw/zinc/90/54/77/556905477.db2.gz OOTFJOFRMSALTD-BWKNWUBXSA-N 1 0 437.584 4.359 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)cc1OC ZINC000072330392 556905553 /nfs/dbraw/zinc/90/55/53/556905553.db2.gz OOTFJOFRMSALTD-OFVILXPXSA-N 1 0 437.584 4.359 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)cc1 ZINC000072330544 556906277 /nfs/dbraw/zinc/90/62/77/556906277.db2.gz BLUMNIDFEGVAGV-LVXARBLLSA-N 1 0 445.563 4.482 40 0 IIABRO COc1ccccc1CC(=O)N1CCCC[C@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@H]21 ZINC000072330616 556906940 /nfs/dbraw/zinc/90/69/40/556906940.db2.gz GXNAZJMODMAQHW-UKILVPOCSA-N 1 0 429.564 4.299 40 0 IIABRO Cc1nc([C@@H]2CCC[N@@H+](Cc3cn(C)c4ccc(F)cc34)C2)ncc1C(=O)N1CCCCC1 ZINC000019763299 556907934 /nfs/dbraw/zinc/90/79/34/556907934.db2.gz OPGWXWRCTPJABL-LJQANCHMSA-N 1 0 449.574 4.422 40 0 IIABRO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 ZINC000072340879 556912878 /nfs/dbraw/zinc/91/28/78/556912878.db2.gz PYAOHIZCGSZWLI-KRWDZBQOSA-N 1 0 432.446 4.361 40 0 IIABRO CC(C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CC[NH+](Cc2ccccn2)CC1 ZINC000072345246 556916808 /nfs/dbraw/zinc/91/68/08/556916808.db2.gz WBAFYIFGEGBCCY-UHFFFAOYSA-N 1 0 428.580 4.493 40 0 IIABRO CNc1ncccc1C[N@@H+]1CC[C@@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 ZINC000072351972 556922999 /nfs/dbraw/zinc/92/29/99/556922999.db2.gz LSBXLNMLVNLWSX-QGZVFWFLSA-N 1 0 436.947 4.117 40 0 IIABRO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(N)=O)C1 ZINC000072352205 556923360 /nfs/dbraw/zinc/92/33/60/556923360.db2.gz GMIAEZCDYWDADR-LJQANCHMSA-N 1 0 435.593 4.227 40 0 IIABRO COCCNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000072352295 556923619 /nfs/dbraw/zinc/92/36/19/556923619.db2.gz MFXGURZAGWPOGB-GOSISDBHSA-N 1 0 438.597 4.180 40 0 IIABRO CC1(C)CC(CC(=O)N2CCC[C@@H](c3ccc(Nc4cnccn4)cn3)C2)CC(C)(C)[NH2+]1 ZINC000072353433 556926562 /nfs/dbraw/zinc/92/65/62/556926562.db2.gz TXELGCIWHFJOQC-LJQANCHMSA-N 1 0 436.604 4.268 40 0 IIABRO Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000072353727 556928105 /nfs/dbraw/zinc/92/81/05/556928105.db2.gz XPXCTWKSFAUNLF-HXUWFJFHSA-N 1 0 435.616 4.364 40 0 IIABRO COCCc1ncc(C[N@@H+]2CCC[C@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cn1 ZINC000072354237 556929578 /nfs/dbraw/zinc/92/95/78/556929578.db2.gz DORATSJMDJICSV-QHCPKHFHSA-N 1 0 434.559 4.478 40 0 IIABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409058141 556935179 /nfs/dbraw/zinc/93/51/79/556935179.db2.gz INWKZZVDHIDXSF-IQUGWNQFSA-O 1 0 439.322 4.010 40 0 IIABRO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000072370526 556935266 /nfs/dbraw/zinc/93/52/66/556935266.db2.gz JWNHNGIAVMAUMD-SFHVURJKSA-N 1 0 426.557 4.360 40 0 IIABRO Cc1c(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccccc4C(F)(F)F)n[nH]3)C2)cnn1C ZINC000072371462 556939239 /nfs/dbraw/zinc/93/92/39/556939239.db2.gz XKFMRJSGQSCWPO-MRXNPFEDSA-N 1 0 433.478 4.081 40 0 IIABRO Cc1nc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000072371966 556941650 /nfs/dbraw/zinc/94/16/50/556941650.db2.gz PZUCXBSGWIPOPT-QFIPXVFZSA-N 1 0 430.596 4.453 40 0 IIABRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000072375030 556950143 /nfs/dbraw/zinc/95/01/43/556950143.db2.gz FANIWSDOOZTNAE-SFHVURJKSA-N 1 0 441.557 4.010 40 0 IIABRO Cc1cccnc1Nc1cccc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000072375654 556952144 /nfs/dbraw/zinc/95/21/44/556952144.db2.gz IDMZXVDUOBZDGC-HXUWFJFHSA-N 1 0 428.540 4.056 40 0 IIABRO OCCCn1cc(C[N@@H+]2CCC[C@H]2c2cncc(Nc3ccccn3)n2)c2ccccc21 ZINC000072376426 556954772 /nfs/dbraw/zinc/95/47/72/556954772.db2.gz HKDZDHKYZMFACD-QHCPKHFHSA-N 1 0 428.540 4.289 40 0 IIABRO CCOc1ccc(CN2Cc3cc(OC)ccc3O[C@@]3(CCC[N@H+](C)CC3)C2)cc1OC ZINC000072394512 556965963 /nfs/dbraw/zinc/96/59/63/556965963.db2.gz PAHDQTYXCGTKOH-AREMUKBSSA-N 1 0 440.584 4.352 40 0 IIABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398585 556970275 /nfs/dbraw/zinc/97/02/75/556970275.db2.gz NHCVPLXYQUOXQQ-MBSDFSHPSA-N 1 0 425.573 4.214 40 0 IIABRO Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C[NH+]3CCCCC3)CC2)on1 ZINC000257287267 556997578 /nfs/dbraw/zinc/99/75/78/556997578.db2.gz PPFAJOAUNVEOJV-MXVIHJGJSA-N 1 0 439.604 4.439 40 0 IIABRO COc1ccc(F)c(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)CC4CCOCC4)[C@H]3C2)c1 ZINC000585109807 557042097 /nfs/dbraw/zinc/04/20/97/557042097.db2.gz WGXSGPGLUUHHDI-JCYRPKCISA-N 1 0 438.543 4.038 40 0 IIABRO O=C(Cc1ccccc1)NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]21 ZINC000585110171 557042929 /nfs/dbraw/zinc/04/29/29/557042929.db2.gz RLXXATQGKSVEQK-LOSJGSFVSA-N 1 0 439.559 4.039 40 0 IIABRO OCC[NH2+]CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000023255799 557079229 /nfs/dbraw/zinc/07/92/29/557079229.db2.gz BWMVVKJBJVFGEU-UHFFFAOYSA-N 1 0 448.188 4.006 40 0 IIABRO CCOc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000023471903 557093577 /nfs/dbraw/zinc/09/35/77/557093577.db2.gz UGHFCERCYVPYBG-UHFFFAOYSA-N 1 0 439.383 4.393 40 0 IIABRO Cc1ccc(C[NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(CC(C)C)C3)s1 ZINC000096037156 557164090 /nfs/dbraw/zinc/16/40/90/557164090.db2.gz KDJFZOKREIKRJY-UHFFFAOYSA-N 1 0 448.654 4.378 40 0 IIABRO CC[NH+](CC)CCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096038160 557166078 /nfs/dbraw/zinc/16/60/78/557166078.db2.gz LQWILBBYOCUBIH-UHFFFAOYSA-N 1 0 433.531 4.393 40 0 IIABRO CC(C)CN1CC2(CC[NH+](CCc3ccccc3)CC2)COc2ccccc2S1(=O)=O ZINC000096263511 557190972 /nfs/dbraw/zinc/19/09/72/557190972.db2.gz PFWAJXLGEOBKJA-UHFFFAOYSA-N 1 0 442.625 4.051 40 0 IIABRO COc1ccc(NC(C)=O)c(NC(=O)C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3Cc2ccccc2)c1 ZINC000585262116 557200803 /nfs/dbraw/zinc/20/08/03/557200803.db2.gz QZEQJAICMUXZIC-MQSCRBSSSA-N 1 0 435.568 4.183 40 0 IIABRO OC1(COc2ccc(C[NH+]3CCC(O)(COc4ccc(F)cc4)CC3)cc2)CCCCC1 ZINC000585272784 557217119 /nfs/dbraw/zinc/21/71/19/557217119.db2.gz MWCBSXHRNSWCIR-UHFFFAOYSA-N 1 0 443.559 4.306 40 0 IIABRO CCN(Cc1nc(-c2cccs2)no1)C(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000219425109 557244579 /nfs/dbraw/zinc/24/45/79/557244579.db2.gz JERXWHLFHKGOGB-UHFFFAOYSA-N 1 0 428.533 4.198 40 0 IIABRO O=C(CCCc1nc(-c2ccccc2)no1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000604404450 557247269 /nfs/dbraw/zinc/24/72/69/557247269.db2.gz HFDOMHQXNUSQHE-NZCWTCFWSA-N 1 0 446.595 4.481 40 0 IIABRO Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1C ZINC000223239545 557449954 /nfs/dbraw/zinc/44/99/54/557449954.db2.gz XBUFGXGKBFOWNO-BJKOFHAPSA-N 1 0 433.625 4.413 40 0 IIABRO O=S(=O)(Cc1cccc(Br)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224535704 557618021 /nfs/dbraw/zinc/61/80/21/557618021.db2.gz OGFICTGWNSZKFC-UHFFFAOYSA-N 1 0 437.403 4.055 40 0 IIABRO CCc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(Br)c1 ZINC000224617801 557631537 /nfs/dbraw/zinc/63/15/37/557631537.db2.gz ZJUYXTRJVSGPAF-UHFFFAOYSA-N 1 0 431.374 4.303 40 0 IIABRO Cc1cc(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)ccc1Br ZINC000224674743 557639761 /nfs/dbraw/zinc/63/97/61/557639761.db2.gz CFEDVSFBUIMEDA-UHFFFAOYSA-N 1 0 431.374 4.439 40 0 IIABRO CCOC(=O)c1cccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1C ZINC000225773200 557775613 /nfs/dbraw/zinc/77/56/13/557775613.db2.gz JUQQCUFOKIVRGV-UHFFFAOYSA-N 1 0 441.597 4.131 40 0 IIABRO Cc1cc(C)n(CCOc2cccc(C[NH+]3CCC(O)(COc4ccc(C)cc4)CC3)c2)n1 ZINC000585271650 568616722 /nfs/dbraw/zinc/61/67/22/568616722.db2.gz MIZXCHBXKKICGW-UHFFFAOYSA-N 1 0 449.595 4.293 40 0 IIABRO COCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585271195 568617843 /nfs/dbraw/zinc/61/78/43/568617843.db2.gz TWVNXUOQWDABFF-XMMPIXPASA-N 1 0 449.975 4.088 40 0 IIABRO Cc1cccc(Nc2cc(C)[nH+]c(C3CCN(C(=O)CCc4csc(N)n4)CC3)c2)n1 ZINC000257204556 568667274 /nfs/dbraw/zinc/66/72/74/568667274.db2.gz AVDUEFCNRIGANR-UHFFFAOYSA-N 1 0 436.585 4.215 40 0 IIABRO Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257211766 568670829 /nfs/dbraw/zinc/67/08/29/568670829.db2.gz CAHOKOLLKPXORD-GOSISDBHSA-N 1 0 426.542 4.225 40 0 IIABRO COc1ccc2c(c1)[C@H]1OCC3(CC[NH+](C4CCN(C(C)=O)CC4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257239859 568683691 /nfs/dbraw/zinc/68/36/91/568683691.db2.gz HRCHIXRSNGDMCP-LADGPHEKSA-N 1 0 442.600 4.037 40 0 IIABRO COc1c(C)cccc1C(=O)N1CCO[C@@H](c2cc(Nc3cccc(C)n3)cc(C)n2)C1 ZINC000257242899 568684976 /nfs/dbraw/zinc/68/49/76/568684976.db2.gz IEQUANACONZSRS-JOCHJYFZSA-N 1 0 432.524 4.368 40 0 IIABRO Cn1nc([C@@H]2CN(Cc3ccccc3Cl)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257248203 568687531 /nfs/dbraw/zinc/68/75/31/568687531.db2.gz JCPUDRNJLCCPOM-QHCPKHFHSA-N 1 0 429.923 4.408 40 0 IIABRO CNc1ncc(C[NH+]2CCC3(CC2)CO[C@@H]2c4cccc(OC)c4OC(C)(C)[C@H]2C3)cn1 ZINC000257288772 568706284 /nfs/dbraw/zinc/70/62/84/568706284.db2.gz PVOYABJBNGUNEN-PZJWPPBQSA-N 1 0 438.572 4.058 40 0 IIABRO Cc1noc(C)c1S(=O)(=O)N1CC[C@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257291600 568707601 /nfs/dbraw/zinc/70/76/01/568707601.db2.gz QHUBKBWYZHHISU-INIZCTEOSA-N 1 0 430.505 4.056 40 0 IIABRO O=C(NCC[NH+]1CCCC1)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 ZINC000257298295 568710718 /nfs/dbraw/zinc/71/07/18/568710718.db2.gz RLBSKJUPJWKXOF-UHFFFAOYSA-N 1 0 428.523 4.183 40 0 IIABRO CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(Nc4ccc(C)cc4)cc(C)[nH+]3)C2)CC1 ZINC000257310260 568715686 /nfs/dbraw/zinc/71/56/86/568715686.db2.gz UEKGJVCNSYBRIQ-JOCHJYFZSA-N 1 0 434.584 4.407 40 0 IIABRO Cc1ccccc1C[N@H+]1CC[C@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 ZINC000257322577 568721068 /nfs/dbraw/zinc/72/10/68/568721068.db2.gz WGNXPHFESJDUKH-QFIPXVFZSA-N 1 0 433.600 4.101 40 0 IIABRO COc1cccc(C[N@@H+]2CC[C@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 ZINC000257332388 568725385 /nfs/dbraw/zinc/72/53/85/568725385.db2.gz XXCMBOUZFRYGJE-FQEVSTJZSA-N 1 0 448.542 4.412 40 0 IIABRO CCN(C(=O)c1cccc(Nc2ncccn2)c1)[C@@H]1CCOC2(CC[NH+](C(C)C)CC2)C1 ZINC000257337742 568727825 /nfs/dbraw/zinc/72/78/25/568727825.db2.gz YUEFCJIFPRNNMI-JOCHJYFZSA-N 1 0 437.588 4.104 40 0 IIABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccccn5)C4)nn3c2)c1OC ZINC000306125336 568763824 /nfs/dbraw/zinc/76/38/24/568763824.db2.gz CMXKGBKBQNSQLY-LJQANCHMSA-N 1 0 429.524 4.188 40 0 IIABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126621 568764388 /nfs/dbraw/zinc/76/43/88/568764388.db2.gz FALVMFQRJFZAAN-JYFHCDHNSA-N 1 0 447.558 4.016 40 0 IIABRO Cc1c(Br)cccc1Nc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1 ZINC000328989176 568808584 /nfs/dbraw/zinc/80/85/84/568808584.db2.gz IJRCYZPDYASNRP-UHFFFAOYSA-N 1 0 440.389 4.166 40 0 IIABRO C[NH+](C)CCCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329037105 568810005 /nfs/dbraw/zinc/81/00/05/568810005.db2.gz RMDYITLFRJELNP-UHFFFAOYSA-N 1 0 448.518 4.102 40 0 IIABRO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@]2(C1)Nc1ccccc1-n1cccc12 ZINC000057719661 568909073 /nfs/dbraw/zinc/90/90/73/568909073.db2.gz JQJPSFJSKBHQQH-HHHXNRCGSA-N 1 0 440.547 4.270 40 0 IIABRO COCCn1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@H]43)cc21 ZINC000257199155 568921879 /nfs/dbraw/zinc/92/18/79/568921879.db2.gz UZKDOMKTZBWBIB-WSKLTFMVSA-N 1 0 433.596 4.323 40 0 IIABRO O=C(Nc1ccc(I)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063466 569219955 /nfs/dbraw/zinc/21/99/55/569219955.db2.gz FUWGSLUSFSEAKV-UHFFFAOYSA-N 1 0 438.284 4.281 40 0 IIABRO COc1ccc2c(c1)c([C@H](O)C[N@@H+]1CCC[C@@](O)(c3ccc(F)cc3)CC1)c(C)n2C ZINC000019581552 569227146 /nfs/dbraw/zinc/22/71/46/569227146.db2.gz NYJGQVOZZSASPR-NOZRDPDXSA-N 1 0 426.532 4.042 40 0 IIABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3cccnc3)CC2)sc1CCOc1ccccc1F ZINC000019696258 569229670 /nfs/dbraw/zinc/22/96/70/569229670.db2.gz RKOOLFCJNADFEO-XMMPIXPASA-N 1 0 441.572 4.481 40 0 IIABRO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C1)CO2 ZINC000019704672 569233582 /nfs/dbraw/zinc/23/35/82/569233582.db2.gz NGBVPGSXJRRJDN-SFHVURJKSA-N 1 0 435.499 4.402 40 0 IIABRO CCn1cc(-c2cc(C(=O)Nc3ccc([C@@H]4C[C@H]([NH+](CC)CC)CCO4)cc3)no2)cn1 ZINC000019711843 569235099 /nfs/dbraw/zinc/23/50/99/569235099.db2.gz YADOUZNISMRJNV-IRLDBZIGSA-N 1 0 437.544 4.372 40 0 IIABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3cc(C)nc(N)n3)cc2)C1 ZINC000019711862 569235110 /nfs/dbraw/zinc/23/51/10/569235110.db2.gz LMVYRAJECQSANN-FCEUIQTBSA-N 1 0 425.577 4.206 40 0 IIABRO COc1cccc2ccc(C[N@@H+]3[C@H](Cc4ccccc4)C[C@@H]4NC(=O)CCCC[C@H]43)nc21 ZINC000019713889 569235808 /nfs/dbraw/zinc/23/58/08/569235808.db2.gz GOWTZRRNHUMNQE-TZRRMPRUSA-N 1 0 429.564 4.488 40 0 IIABRO CN(C)c1cc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760196 569237524 /nfs/dbraw/zinc/23/75/24/569237524.db2.gz JIZKQVTWFMDLPT-JOCHJYFZSA-N 1 0 431.540 4.032 40 0 IIABRO CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856928 569249213 /nfs/dbraw/zinc/24/92/13/569249213.db2.gz NITZGWKLTPEWQY-SIKLNZKXSA-N 1 0 449.016 4.223 40 0 IIABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)c1ccccc1-c1ccccc1)CC2 ZINC000019710322 569327422 /nfs/dbraw/zinc/32/74/22/569327422.db2.gz ZBPIVNUEJICDCU-FQEVSTJZSA-N 1 0 441.579 4.193 40 0 IIABRO Cc1nc(C2CC[NH+](Cc3cccc(F)c3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766573 569329187 /nfs/dbraw/zinc/32/91/87/569329187.db2.gz NOBCCOCCDNTZQN-UHFFFAOYSA-N 1 0 436.506 4.373 40 0 IIABRO CNC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000095946265 569376074 /nfs/dbraw/zinc/37/60/74/569376074.db2.gz BQNHHYZMVCQLJG-WCWDXBQESA-N 1 0 426.520 4.040 40 0 IIABRO Cc1cc(Br)ccc1Nc1cc(-c2ccccn2)nc(NCCC[NH+](C)C)n1 ZINC000329053268 569583194 /nfs/dbraw/zinc/58/31/94/569583194.db2.gz VFHCFFKCMTZKEV-UHFFFAOYSA-N 1 0 441.377 4.717 40 0 IIABRO Cc1cc(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)ccc1Br ZINC000329007642 569583987 /nfs/dbraw/zinc/58/39/87/569583987.db2.gz LMDHNTIAXHKQED-UHFFFAOYSA-N 1 0 441.377 4.717 40 0 IIABRO Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000329039153 569584065 /nfs/dbraw/zinc/58/40/65/569584065.db2.gz RWKASLJJPBTDCN-UHFFFAOYSA-N 1 0 431.462 5.068 40 0 IIABRO Cc1noc(C)c1Cn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NCC1CC1)C2 ZINC000049171793 291384959 /nfs/dbraw/zinc/38/49/59/291384959.db2.gz CDKWACQYJZHFIJ-GOTSBHOMSA-N 1 0 434.584 4.422 40 0 biogenic,in-vitro IIABRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccc(F)cc3)nn2C)cc1 ZINC000035415800 291383443 /nfs/dbraw/zinc/38/34/43/291383443.db2.gz OOJISISSHTXCPS-FJIJXJHWSA-N 1 0 434.559 4.202 40 0 biogenic,in-vitro IIABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)C2 ZINC000035590762 520685248 /nfs/dbraw/zinc/68/52/48/520685248.db2.gz LKQOFRNBCVDUCM-UOAUAQBLSA-N 1 0 440.550 4.420 40 0 IIABRO COc1cc(C[NH+]2CCC(O)(Cn3cccc4cc(C(F)(F)F)nc3-4)CC2)cc(OC)c1 ZINC000012158777 522370513 /nfs/dbraw/zinc/37/05/13/522370513.db2.gz GJKKSBMSMFCSIW-UHFFFAOYSA-N 1 0 449.473 4.051 40 0 IIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000036734792 523810608 /nfs/dbraw/zinc/81/06/08/523810608.db2.gz UIALLSRHFRDELP-GCJKJVERSA-N 1 0 436.581 4.238 40 0 IIABRO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1)N1CCCC1 ZINC000072348792 526757472 /nfs/dbraw/zinc/75/74/72/526757472.db2.gz AKPIQCWATLJANA-IBGZPJMESA-N 1 0 431.502 4.493 40 0 IIABRO Cn1nnnc1SCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022109132 527659787 /nfs/dbraw/zinc/65/97/87/527659787.db2.gz LWOCDEFFYVLGAO-UHFFFAOYSA-N 1 0 438.384 4.368 40 0 IIABRO Cn1nnnc1SCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022109127 527659982 /nfs/dbraw/zinc/65/99/82/527659982.db2.gz MMSUZZRYUDTKAO-UHFFFAOYSA-N 1 0 438.384 4.368 40 0 IIABRO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408710425 556118325 /nfs/dbraw/zinc/11/83/25/556118325.db2.gz YODSISUPGFJBBU-QPJJXVBHSA-N 1 0 438.015 4.410 40 0 IIABRO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H](CC(C)C)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000008995671 556239576 /nfs/dbraw/zinc/23/95/76/556239576.db2.gz SLKDYJURTYHIJA-YAEBDLLGSA-N 1 0 427.932 4.159 40 0 IIABRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000039772872 556437734 /nfs/dbraw/zinc/43/77/34/556437734.db2.gz MSGKIFAQFQUUSX-UHFFFAOYSA-N 1 0 431.502 4.266 40 0 IIABRO NC(=O)COc1c(Br)cc(C[NH2+]C2CCCCCCC2)cc1Br ZINC000036612883 556511118 /nfs/dbraw/zinc/51/11/18/556511118.db2.gz KQSTYDIEZWKHLG-UHFFFAOYSA-N 1 0 448.199 4.278 40 0 IIABRO COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030943102 556516630 /nfs/dbraw/zinc/51/66/30/556516630.db2.gz IDZHELWPSIEZMN-UHFFFAOYSA-N 1 0 426.513 4.119 40 0 IIABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030945128 556516862 /nfs/dbraw/zinc/51/68/62/556516862.db2.gz ZIXFMLLIKRHRRF-LJQANCHMSA-N 1 0 449.492 4.405 40 0 IIABRO O=C(CC1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014729 556691831 /nfs/dbraw/zinc/69/18/31/556691831.db2.gz VYKBLEKZNOKEIC-IBGZPJMESA-N 1 0 426.605 4.159 40 0 IIABRO COc1ccc(OC)c(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1 ZINC000019082007 556696651 /nfs/dbraw/zinc/69/66/51/556696651.db2.gz CNQZHSKWZLNKAF-HSZRJFAPSA-N 1 0 425.573 4.214 40 0 IIABRO COCCOc1cc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000257332907 556705850 /nfs/dbraw/zinc/70/58/50/556705850.db2.gz XZHJMIIUIBMKGD-VWLOTQADSA-N 1 0 447.547 4.310 40 0 IIABRO Fc1cccc(COc2ccccc2C[N@@H+]2CCOC[C@@H](Cc3ccc4nccn4n3)C2)c1 ZINC000257292475 556716412 /nfs/dbraw/zinc/71/64/12/556716412.db2.gz QLQXRPTVYVKXFU-NRFANRHFSA-N 1 0 446.526 4.139 40 0 IIABRO Cc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)c1 ZINC000019234760 556719136 /nfs/dbraw/zinc/71/91/36/556719136.db2.gz CVTGEJFOWRTGBO-DEOSSOPVSA-N 1 0 448.611 4.478 40 0 IIABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)n1 ZINC000019290177 556730077 /nfs/dbraw/zinc/73/00/77/556730077.db2.gz LUWJCFQVOLFEBC-GOSISDBHSA-N 1 0 438.526 4.135 40 0 IIABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000019290161 556730172 /nfs/dbraw/zinc/73/01/72/556730172.db2.gz FZIZKCIXNATBJH-JOCHJYFZSA-N 1 0 430.600 4.290 40 0 IIABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1OCc1cccc(F)c1)C2 ZINC000019291414 556731483 /nfs/dbraw/zinc/73/14/83/556731483.db2.gz LBJBAWXLAHWPPI-KMXBQNHCSA-N 1 0 435.543 4.258 40 0 IIABRO Cc1cc2cc(CN(CC[NH+](C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000000880667 556732542 /nfs/dbraw/zinc/73/25/42/556732542.db2.gz KKEIHOBYOHXYJC-UHFFFAOYSA-N 1 0 426.561 4.045 40 0 IIABRO O=C(c1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019342686 556740281 /nfs/dbraw/zinc/74/02/81/556740281.db2.gz NCMBJJLNXQQLFH-LJQANCHMSA-N 1 0 426.586 4.302 40 0 IIABRO O=C(CN(c1nc([C@H]2CCC[NH2+]C2)c2ccccn21)c1cccc(F)c1)NC1CCCC1 ZINC000019399755 556752674 /nfs/dbraw/zinc/75/26/74/556752674.db2.gz HCRSGKWGVDOTCU-SFHVURJKSA-N 1 0 435.547 4.137 40 0 IIABRO O=C(N[C@H](C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2)c1ccccn1)C1CCC1 ZINC000019400906 556753573 /nfs/dbraw/zinc/75/35/73/556753573.db2.gz VQJVJDVXNVGRDF-FYYLOGMGSA-N 1 0 435.568 4.255 40 0 IIABRO CC(C)[N@@H+]1CCc2c(=O)[nH]c([C@@H]3CCCN3C(=O)c3cc4c(s3)CCCCC4)nc2C1 ZINC000019448401 556758039 /nfs/dbraw/zinc/75/80/39/556758039.db2.gz JEIGZGCNZOKSOD-IBGZPJMESA-N 1 0 440.613 4.256 40 0 IIABRO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C[NH+]4CCCCCC4)C3)cc2n1 ZINC000019452400 556763331 /nfs/dbraw/zinc/76/33/31/556763331.db2.gz CCZGZYDRWOSODX-MRXNPFEDSA-N 1 0 437.510 4.063 40 0 IIABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)Cc4ccsc4)[nH]c(=O)c3C2)CC1 ZINC000019495999 556768689 /nfs/dbraw/zinc/76/86/89/556768689.db2.gz WPJMIYFDTPFYII-IAYYMHMVSA-N 1 0 440.613 4.087 40 0 IIABRO CCc1ncc(C[N@@H+]2CCC[C@@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019523365 556780769 /nfs/dbraw/zinc/78/07/69/556780769.db2.gz XRXXCJCQKVNGMQ-MHZLTWQESA-N 1 0 443.595 4.014 40 0 IIABRO CCN1CC[N@H+](Cc2cccc(OC)c2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527710 556786956 /nfs/dbraw/zinc/78/69/56/556786956.db2.gz MXHNWBUDCZTQRA-XMMPIXPASA-N 1 0 429.564 4.280 40 0 IIABRO CCN1CC[N@H+](Cc2ccccc2OC)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527763 556787436 /nfs/dbraw/zinc/78/74/36/556787436.db2.gz VEZHDCUNBRBFSU-DEOSSOPVSA-N 1 0 429.564 4.280 40 0 IIABRO CCN1CC[N@H+](Cc2ccc(OC)cc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527755 556787507 /nfs/dbraw/zinc/78/75/07/556787507.db2.gz TVJBZFJLDLOLDQ-DEOSSOPVSA-N 1 0 429.564 4.280 40 0 IIABRO CCOCc1cc(C[NH+]2CCC3(CC2)OCCc2cnc(C(C)C)nc23)ccc1OC ZINC000019531135 556791803 /nfs/dbraw/zinc/79/18/03/556791803.db2.gz JYYLIOSKMSYLSF-UHFFFAOYSA-N 1 0 425.573 4.209 40 0 IIABRO Cc1c2ccccc2oc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C(C)C)C2 ZINC000019566157 556806909 /nfs/dbraw/zinc/80/69/09/556806909.db2.gz VUOVYLDPZMZMKW-FQEVSTJZSA-N 1 0 434.540 4.371 40 0 IIABRO Cc1nn(C)cc1C[NH+]1CCC2(C[C@@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000019583781 556821434 /nfs/dbraw/zinc/82/14/34/556821434.db2.gz RRWJQSWECJSQRU-DEOSSOPVSA-N 1 0 437.975 4.249 40 0 IIABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccccc2OC)C1 ZINC000019591311 556826500 /nfs/dbraw/zinc/82/65/00/556826500.db2.gz LRWSXRUUEZJFEH-MHZLTWQESA-N 1 0 429.564 4.328 40 0 IIABRO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000019591283 556826505 /nfs/dbraw/zinc/82/65/05/556826505.db2.gz OLQFSRRIDRNDHJ-VWLOTQADSA-N 1 0 434.971 4.368 40 0 IIABRO COCC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000019592999 556829195 /nfs/dbraw/zinc/82/91/95/556829195.db2.gz QZJOSCJNGKZIPA-MHZLTWQESA-N 1 0 429.564 4.465 40 0 IIABRO Cc1cc(C)c2cc(CN(CC[NH+](C)C)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1 ZINC000006301325 556832440 /nfs/dbraw/zinc/83/24/40/556832440.db2.gz NWEBDBPMRLTBAQ-LJQANCHMSA-N 1 0 436.625 4.144 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695809 556852630 /nfs/dbraw/zinc/85/26/30/556852630.db2.gz PUCQMIGJMHXIIB-FQEVSTJZSA-N 1 0 445.542 4.178 40 0 IIABRO Cc1cc(C)cc(C2(C(=O)N(C)Cc3cc(N(C)C)nc([C@H]4CCCC[NH2+]4)n3)CCCC2)c1 ZINC000019709866 556871350 /nfs/dbraw/zinc/87/13/50/556871350.db2.gz KYZMXYVCJCUILF-HSZRJFAPSA-N 1 0 449.643 4.444 40 0 IIABRO Cc1ccc(C[N@@H+]2CC[C@H](c3cc4nc(C)c(CCC(=O)NC(C)(C)C)c(C)n4n3)C2)cc1 ZINC000072369597 556933529 /nfs/dbraw/zinc/93/35/29/556933529.db2.gz KHEFDUBJQUGLIL-QFIPXVFZSA-N 1 0 447.627 4.491 40 0 IIABRO CCn1c(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccc(OC)cc4)n[nH]3)C2)nc2ccccc21 ZINC000072371456 556939113 /nfs/dbraw/zinc/93/91/13/556939113.db2.gz GFBHRCKDOQMRGZ-LJQANCHMSA-N 1 0 445.567 4.399 40 0 IIABRO CN(C)c1ncccc1C[N@@H+]1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371743 556940537 /nfs/dbraw/zinc/94/05/37/556940537.db2.gz ZWIWVRRYTKCOPU-KRWDZBQOSA-N 1 0 425.964 4.135 40 0 IIABRO CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CC[NH+](CC3CCCCC3)CC2)C1 ZINC000072372446 556942800 /nfs/dbraw/zinc/94/28/00/556942800.db2.gz COMBBANOWWRYHI-DEOSSOPVSA-N 1 0 439.644 4.103 40 0 IIABRO C[NH+]1CCC(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2cccc(C(F)(F)F)c2)CC1 ZINC000072377284 556956289 /nfs/dbraw/zinc/95/62/89/556956289.db2.gz HHAUEFUANYKJFO-IBGZPJMESA-N 1 0 447.505 4.140 40 0 IIABRO Cc1cccc(C[N@H+]2CCC[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)n1 ZINC000072391238 556961744 /nfs/dbraw/zinc/96/17/44/556961744.db2.gz OVKDYXCMRXHZMO-HHHXNRCGSA-N 1 0 428.580 4.365 40 0 IIABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@H+](Cc2cncn2CC)C1 ZINC000072394017 556965314 /nfs/dbraw/zinc/96/53/14/556965314.db2.gz APNIDZWYGAOMEV-XMMPIXPASA-N 1 0 440.519 4.085 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(OC)c1 ZINC000072398579 556970036 /nfs/dbraw/zinc/97/00/36/556970036.db2.gz BWUHHFMUGQHLPG-CVDCTZTESA-N 1 0 425.573 4.214 40 0 IIABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)cc2)CC1 ZINC000020043807 556972677 /nfs/dbraw/zinc/97/26/77/556972677.db2.gz NMLRPHCKCSGZKE-UHFFFAOYSA-N 1 0 442.563 4.496 40 0 IIABRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020106692 556983066 /nfs/dbraw/zinc/98/30/66/556983066.db2.gz WGHLDWNKPUFOPD-UHFFFAOYSA-N 1 0 443.613 4.201 40 0 IIABRO O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12)c1ccccc1 ZINC000585110042 557042468 /nfs/dbraw/zinc/04/24/68/557042468.db2.gz ARCIQXTWSFRTPU-RPWUZVMVSA-N 1 0 425.532 4.110 40 0 IIABRO O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]21)c1ccccc1 ZINC000585110040 557042522 /nfs/dbraw/zinc/04/25/22/557042522.db2.gz ARCIQXTWSFRTPU-BJKOFHAPSA-N 1 0 425.532 4.110 40 0 IIABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]CCN2CCOCC2)cc1 ZINC000023263554 557080830 /nfs/dbraw/zinc/08/08/30/557080830.db2.gz GEUYUPATKPSRDM-UHFFFAOYSA-N 1 0 439.781 4.103 40 0 IIABRO COc1cccc(-c2cccc(CC3(C(=O)N4CCC([NH+](C)C)CC4)CCOCC3)c2)c1 ZINC000585170106 557133330 /nfs/dbraw/zinc/13/33/30/557133330.db2.gz NFELHDISKOOJFR-UHFFFAOYSA-N 1 0 436.596 4.254 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=S)NC1CCCCC1 ZINC000006193257 557148086 /nfs/dbraw/zinc/14/80/86/557148086.db2.gz GQKKEJDORCWCRZ-UHFFFAOYSA-N 1 0 442.673 4.496 40 0 IIABRO CC[NH+](CC)CCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096037449 557164863 /nfs/dbraw/zinc/16/48/63/557164863.db2.gz BOQVIDNWGLQTMO-UHFFFAOYSA-N 1 0 444.583 4.247 40 0 IIABRO COCCNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C)s3)CC2)Oc2ccccc21 ZINC000096053373 557166889 /nfs/dbraw/zinc/16/68/89/557166889.db2.gz OYOHSGQVBPMILC-IBGZPJMESA-N 1 0 428.598 4.110 40 0 IIABRO CCN1C(=O)C2(CC13CCN(C(=O)c1ccc(Cl)cc1)CC3)CC[NH+](CC(C)C)CC2 ZINC000096143698 557170709 /nfs/dbraw/zinc/17/07/09/557170709.db2.gz FGPOWIHTJPRWAS-UHFFFAOYSA-N 1 0 446.035 4.305 40 0 IIABRO C[NH+](C)C1CCN(C(=O)c2ccc3onc(-c4csc(-c5cccnc5)n4)c3c2)CC1 ZINC000096154407 557177902 /nfs/dbraw/zinc/17/79/02/557177902.db2.gz ALPCNDBBLIADJF-UHFFFAOYSA-N 1 0 433.537 4.180 40 0 IIABRO COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NC[C@H]3CCC[N@H+](C)C3)CCCO2)cc1 ZINC000585262575 557202616 /nfs/dbraw/zinc/20/26/16/557202616.db2.gz UNLVBCPRLYGXCA-IBVKSMDESA-N 1 0 440.559 4.051 40 0 IIABRO FC(F)(F)c1nc(-c2cncc(C3CCN(c4cc[nH+]c5ccccc54)CC3)n2)no1 ZINC000585267503 557207207 /nfs/dbraw/zinc/20/72/07/557207207.db2.gz OSFQETNVLXCYFT-UHFFFAOYSA-N 1 0 426.402 4.478 40 0 IIABRO Cc1cnn(CCCOc2cccc(C[N@@H+]3CCC[C@@](O)(COc4ccccc4)C3)c2)c1 ZINC000585271709 557215859 /nfs/dbraw/zinc/21/58/59/557215859.db2.gz NCXRZQOJDBRZOY-SANMLTNESA-N 1 0 435.568 4.067 40 0 IIABRO Cc1c(C(=O)N2CCC([NH+]3CCOCC3)CC2)cccc1-c1ccc(OC(F)(F)F)cc1 ZINC000585294328 557234323 /nfs/dbraw/zinc/23/43/23/557234323.db2.gz YHONTSILCQHBRR-UHFFFAOYSA-N 1 0 448.485 4.497 40 0 IIABRO O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000219426112 557244914 /nfs/dbraw/zinc/24/49/14/557244914.db2.gz RHNNIGPQSUCMCE-UHFFFAOYSA-N 1 0 428.895 4.058 40 0 IIABRO CN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222597148 557359001 /nfs/dbraw/zinc/35/90/01/557359001.db2.gz UCDRXDSDDSGTKF-INIZCTEOSA-N 1 0 430.961 4.322 40 0 IIABRO COc1cc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC ZINC000013992622 557400833 /nfs/dbraw/zinc/40/08/33/557400833.db2.gz VONMRYLYFAIICO-UHFFFAOYSA-N 1 0 427.589 4.419 40 0 IIABRO COc1ccccc1N1CC[NH+](C[C@H](O)COCC(c2ccccc2)c2ccccc2)CC1 ZINC000040373110 557414553 /nfs/dbraw/zinc/41/45/53/557414553.db2.gz CTQHTMZCQNIYCN-VWLOTQADSA-N 1 0 446.591 4.027 40 0 IIABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1Cc1ccccc1 ZINC000223223122 557447679 /nfs/dbraw/zinc/44/76/79/557447679.db2.gz MPPVGGPIWWOAMV-DQEYMECFSA-N 1 0 447.652 4.472 40 0 IIABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223259732 557452114 /nfs/dbraw/zinc/45/21/14/557452114.db2.gz UDTVWTLFUASAKS-RTWAWAEBSA-N 1 0 425.989 4.060 40 0 IIABRO Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)ccc1Cl ZINC000223281445 557455311 /nfs/dbraw/zinc/45/53/11/557455311.db2.gz JHNXCOQVPLCIAO-FGZHOGPDSA-N 1 0 440.016 4.368 40 0 IIABRO COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000223412644 557468579 /nfs/dbraw/zinc/46/85/79/557468579.db2.gz RCAVJEWGDDDJBM-RPWUZVMVSA-N 1 0 441.560 4.449 40 0 IIABRO COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000223412686 557468599 /nfs/dbraw/zinc/46/85/99/557468599.db2.gz RCAVJEWGDDDJBM-BJKOFHAPSA-N 1 0 441.560 4.449 40 0 IIABRO C[NH+]1CCC(Oc2ccc(NC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)cc2)CC1 ZINC000223559663 557485986 /nfs/dbraw/zinc/48/59/86/557485986.db2.gz QHFHISGUNMIOIP-MOHJPFBDSA-N 1 0 445.519 4.162 40 0 IIABRO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1c1ccc2c(c1)OCO2 ZINC000224004144 557542660 /nfs/dbraw/zinc/54/26/60/557542660.db2.gz FXQRKMYAAHNTRC-DHIUTWEWSA-N 1 0 441.516 4.173 40 0 IIABRO O=S(=O)(Cc1ccc(Br)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224672803 557639364 /nfs/dbraw/zinc/63/93/64/557639364.db2.gz ATCQGBMFDPNFIY-UHFFFAOYSA-N 1 0 437.403 4.055 40 0 IIABRO CC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(Cl)cc3)n2CCN1C(=O)C[NH3+] ZINC000096933115 563198989 /nfs/dbraw/zinc/19/89/89/563198989.db2.gz KFSKTWYDIHJITF-UHFFFAOYSA-N 1 0 427.911 4.122 40 0 IIABRO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000257216234 568672513 /nfs/dbraw/zinc/67/25/13/568672513.db2.gz CTQSFLYKSWSYGK-FQEVSTJZSA-N 1 0 431.540 4.072 40 0 IIABRO Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cccc(OCC[NH+]3CCCC3)c2)n1 ZINC000257218361 568673358 /nfs/dbraw/zinc/67/33/58/568673358.db2.gz DCVVMDSJBKQORP-DEOSSOPVSA-N 1 0 445.567 4.028 40 0 IIABRO CC[C@@H](C)C[N@@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257221035 568675013 /nfs/dbraw/zinc/67/50/13/568675013.db2.gz DNGIFFZEYGCUQE-DVECYGJZSA-N 1 0 437.024 4.404 40 0 IIABRO Cc1ccccc1C[N@@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000257231089 568679398 /nfs/dbraw/zinc/67/93/98/568679398.db2.gz GFEMXJOYWPRICP-LWSSLDFYSA-N 1 0 440.584 4.291 40 0 IIABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)c(CC(=O)Nc4ccc(F)cc4)c(C)n3)C2)n1 ZINC000257232768 568680312 /nfs/dbraw/zinc/68/03/12/568680312.db2.gz GMIIXQUNZUJYMY-HXUWFJFHSA-N 1 0 447.558 4.497 40 0 IIABRO COc1cccc(CNC(=O)Cc2c(C)nc([C@H]3CC[N@H+](C[C@H]4CC=CCC4)C3)nc2C)c1 ZINC000257233308 568680742 /nfs/dbraw/zinc/68/07/42/568680742.db2.gz GOROOYLGGDRCNH-GMAHTHKFSA-N 1 0 448.611 4.107 40 0 IIABRO Cc1n[nH]c(C)c1CCC(=O)N1CCC(c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)CC1 ZINC000257264190 568695201 /nfs/dbraw/zinc/69/52/01/568695201.db2.gz LTHFCKAEQHXJAT-UHFFFAOYSA-N 1 0 436.535 4.346 40 0 IIABRO Cc1nc([C@@H]2CC[N@H+](CCc3ccccc3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000257267356 568696481 /nfs/dbraw/zinc/69/64/81/568696481.db2.gz MGXWSCHTFHJGTP-XMMPIXPASA-N 1 0 440.591 4.339 40 0 IIABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126623 568764499 /nfs/dbraw/zinc/76/44/99/568764499.db2.gz FALVMFQRJFZAAN-ZEQKJWHPSA-N 1 0 447.558 4.016 40 0 IIABRO CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000306139435 568771199 /nfs/dbraw/zinc/77/11/99/568771199.db2.gz SXBGSYCNNPUWHF-UHFFFAOYSA-N 1 0 425.939 4.174 40 0 IIABRO COCCn1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC000257199153 568921913 /nfs/dbraw/zinc/92/19/13/568921913.db2.gz UZKDOMKTZBWBIB-POMLREGLSA-N 1 0 433.596 4.323 40 0 IIABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1)[C@H]1CCCO1 ZINC000247522811 569205979 /nfs/dbraw/zinc/20/59/79/569205979.db2.gz YHUKXGSHORGOJF-QIJUGHKUSA-N 1 0 447.501 4.349 40 0 IIABRO Cc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cc(=O)[nH]c(NCc3cccnc3)n2)o1 ZINC000247877536 569206302 /nfs/dbraw/zinc/20/63/02/569206302.db2.gz BAPYSICWELXKOR-YADHBBJMSA-N 1 0 441.535 4.474 40 0 IIABRO CC(C)[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)[C@@H](C)C1 ZINC000247969011 569206671 /nfs/dbraw/zinc/20/66/71/569206671.db2.gz CNVRDTJIEDZNDR-RBBKRZOGSA-N 1 0 446.595 4.334 40 0 IIABRO C[C@H](C(=O)Nc1ccc(CC[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1)c1n[nH]c(=O)c2ccccc21 ZINC000253607078 569209183 /nfs/dbraw/zinc/20/91/83/569209183.db2.gz RAZNZCDJPFHABZ-CMKODMSKSA-N 1 0 432.568 4.186 40 0 IIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(I)cc3)CC2)cc1 ZINC000009063103 569219759 /nfs/dbraw/zinc/21/97/59/569219759.db2.gz WSXVGBCLOGZBNB-UHFFFAOYSA-N 1 0 434.321 4.450 40 0 IIABRO CC(=O)NCCn1nc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3Cl)C2)c2cccnc21 ZINC000012219521 569224894 /nfs/dbraw/zinc/22/48/94/569224894.db2.gz LZABBTJKHPFIIK-KRWDZBQOSA-N 1 0 446.382 4.254 40 0 IIABRO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000019236208 569226450 /nfs/dbraw/zinc/22/64/50/569226450.db2.gz TZFTVNCSJOVSCL-NBGIEHNGSA-N 1 0 430.552 4.177 40 0 IIABRO COc1ccc(NC(=O)[C@H]2C[C@@H](C3CCN(Cc4ccc(F)c(F)c4)CC3)[N@H+](C)C2)cc1 ZINC000019587646 569227296 /nfs/dbraw/zinc/22/72/96/569227296.db2.gz JRHLZFNEQBHRMP-CYFREDJKSA-N 1 0 443.538 4.144 40 0 IIABRO Cc1ccc(-c2cc(C[C@]3(C(=O)NCC(C)C)CCC[N@@H+]3Cc3cccnc3)on2)cc1 ZINC000019696502 569229781 /nfs/dbraw/zinc/22/97/81/569229781.db2.gz YCVNSOJTPSUIGT-SANMLTNESA-N 1 0 432.568 4.395 40 0 IIABRO CC[NH+]1CCC(CC(=O)N2CC[C@@H](c3ccc4c(NCc5ccccc5)n[nH]c4n3)C2)CC1 ZINC000019705102 569233973 /nfs/dbraw/zinc/23/39/73/569233973.db2.gz FRBGFGUISQDQGC-OAQYLSRUSA-N 1 0 446.599 4.008 40 0 IIABRO CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000019739156 569236397 /nfs/dbraw/zinc/23/63/97/569236397.db2.gz QRFHVDGAIKGFNO-RUZDIDTESA-N 1 0 443.563 4.263 40 0 IIABRO CN(C)c1cc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760193 569237563 /nfs/dbraw/zinc/23/75/63/569237563.db2.gz JIZKQVTWFMDLPT-QFIPXVFZSA-N 1 0 431.540 4.032 40 0 IIABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)nc2C)c1 ZINC000019763390 569238118 /nfs/dbraw/zinc/23/81/18/569238118.db2.gz XVLZMBWCJQEDKW-JOCHJYFZSA-N 1 0 436.600 4.483 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765491 569238748 /nfs/dbraw/zinc/23/87/48/569238748.db2.gz UOCBJHFKMJAUEE-JOCHJYFZSA-N 1 0 432.543 4.276 40 0 IIABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044855652 569249308 /nfs/dbraw/zinc/24/93/08/569249308.db2.gz WHBQLHPYLZUFDU-PGRDOPGGSA-N 1 0 426.532 4.465 40 0 IIABRO Cc1ccc(Nc2nccc(C3CCC(CNC(=O)[C@@H]([NH3+])c4ccccc4)CC3)n2)nc1 ZINC000072380021 569250128 /nfs/dbraw/zinc/25/01/28/569250128.db2.gz AWZDZUJTWLMNDT-XWEVFREBSA-N 1 0 430.556 4.014 40 0 IIABRO Cc1nc([C@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765130 569329049 /nfs/dbraw/zinc/32/90/49/569329049.db2.gz NJBQPKCAPKYESB-IBGZPJMESA-N 1 0 434.515 4.435 40 0 IIABRO Cc1nc(C2CC[NH+](CCc3ccccc3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766575 569329282 /nfs/dbraw/zinc/32/92/82/569329282.db2.gz PWQWJPCFTBIJGH-UHFFFAOYSA-N 1 0 432.543 4.276 40 0 IIABRO CC(=O)N1CC[NH+](C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4ccccc4)o3)C[C@H]2C(C)C)CC1 ZINC000030882759 291378186 /nfs/dbraw/zinc/37/81/86/291378186.db2.gz XYVGMHZNOPZLCA-HJOGWXRNSA-N 1 0 436.600 4.298 40 0 biogenic,in-vitro IIABRO COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccco3)nc(C)n2)cc1 ZINC000035415864 291383639 /nfs/dbraw/zinc/38/36/39/291383639.db2.gz ZZENEQHLPLKMPW-DSKINZAPSA-N 1 0 447.539 4.053 40 0 biogenic,in-vitro IIABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223217659 193953175 /nfs/dbraw/zinc/95/31/75/193953175.db2.gz VRGZSOXOLKYZSR-YADHBBJMSA-N 1 0 440.016 4.450 40 0 IIABRO Cc1ccc(N2CC[NH+](CCCCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000010150670 132334999 /nfs/dbraw/zinc/33/49/99/132334999.db2.gz HKFUYKFAEZVPKU-UHFFFAOYSA-N 1 0 427.548 4.347 40 0 IIABRO CC[NH+]1CCN(c2ccc(NC(=O)c3sc4nc5ccccc5cc4c3N)cc2)CC1 ZINC000013564160 132350069 /nfs/dbraw/zinc/35/00/69/132350069.db2.gz GOJWYUDQMQMQCG-UHFFFAOYSA-N 1 0 431.565 4.426 40 0 IIABRO COc1cc(C(=O)Nc2ccc(CC[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)cc(OC)c1OC ZINC000012182104 522153281 /nfs/dbraw/zinc/15/32/81/522153281.db2.gz RLMMNYBLPACGEX-HKUYNNGSSA-N 1 0 426.557 4.485 40 0 IIABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]31)OCO2 ZINC000013226774 556499627 /nfs/dbraw/zinc/49/96/27/556499627.db2.gz MHTWWOIROATECU-XLIONFOSSA-N 1 0 446.469 4.479 40 0 IIABRO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856926 556672647 /nfs/dbraw/zinc/67/26/47/556672647.db2.gz NITZGWKLTPEWQY-DENIHFKCSA-N 1 0 449.016 4.223 40 0 IIABRO Cc1cc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc(C)c1Br ZINC000044872447 556673422 /nfs/dbraw/zinc/67/34/22/556673422.db2.gz HEKWHPBRDKOGDR-UHFFFAOYSA-N 1 0 431.374 4.357 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)C[C@@H]2O ZINC000019084450 556698467 /nfs/dbraw/zinc/69/84/67/556698467.db2.gz IKJLLNCWLKORQM-XZOQPEGZSA-N 1 0 425.569 4.377 40 0 IIABRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(-c4ccc(F)cc4)nn3C)CC2)sc1C ZINC000019124766 556702855 /nfs/dbraw/zinc/70/28/55/556702855.db2.gz IWPXMBWHAOFAAC-UHFFFAOYSA-N 1 0 426.561 4.299 40 0 IIABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1OC ZINC000019125648 556703212 /nfs/dbraw/zinc/70/32/12/556703212.db2.gz DXFDXYQEJGKMFW-PMACEKPBSA-N 1 0 447.959 4.050 40 0 IIABRO COc1ccc(C)cc1C[NH+]1CCC([C@H](NC(=O)c2ccccn2)c2nccs2)CC1 ZINC000019133339 556705091 /nfs/dbraw/zinc/70/50/91/556705091.db2.gz XHDXTXPLVQBOOM-QFIPXVFZSA-N 1 0 436.581 4.238 40 0 IIABRO COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCC[NH+]3CCC(C)CC3)CCCO2)c1 ZINC000257327714 556705213 /nfs/dbraw/zinc/70/52/13/556705213.db2.gz XCJLQWZYNMVYKB-HHHXNRCGSA-N 1 0 436.596 4.302 40 0 IIABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133975 556705413 /nfs/dbraw/zinc/70/54/13/556705413.db2.gz IVEKBJLYLDIVRD-HXUWFJFHSA-N 1 0 432.572 4.164 40 0 IIABRO Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)cc1 ZINC000019209731 556708364 /nfs/dbraw/zinc/70/83/64/556708364.db2.gz BBIKJUPRUVNFHI-XMMPIXPASA-N 1 0 448.611 4.478 40 0 IIABRO Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)cc1 ZINC000019209758 556708869 /nfs/dbraw/zinc/70/88/69/556708869.db2.gz YFYVYJYFHUIIRS-DEOSSOPVSA-N 1 0 448.611 4.065 40 0 IIABRO COc1cccc(-c2cccc(CC3(C(=O)NCCC[NH+]4CCCC4)CCOCC3)c2)c1 ZINC000257233824 556709801 /nfs/dbraw/zinc/70/98/01/556709801.db2.gz GQWSOZKQNCFHIQ-UHFFFAOYSA-N 1 0 436.596 4.304 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@H](Cc2cncc3ccccc32)C1 ZINC000257238741 556710009 /nfs/dbraw/zinc/71/00/09/556710009.db2.gz HMIYCSKIQXDLER-OAQYLSRUSA-N 1 0 429.564 4.162 40 0 IIABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000019213956 556711103 /nfs/dbraw/zinc/71/11/03/556711103.db2.gz ZFIJVCKJLSCBAZ-HHHXNRCGSA-N 1 0 428.580 4.331 40 0 IIABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCOC[C@H](Cc2ccc3nccn3n2)C1 ZINC000257260487 556712396 /nfs/dbraw/zinc/71/23/96/556712396.db2.gz LDBQLRGGLIAKRI-HXUWFJFHSA-N 1 0 428.536 4.096 40 0 IIABRO O=C1O[C@]2(CC[N@H+](Cc3ccccc3OCc3cccnc3)C2)CN1Cc1ccccc1 ZINC000257297847 556717159 /nfs/dbraw/zinc/71/71/59/556717159.db2.gz RIZVGMJUOMQSTA-SANMLTNESA-N 1 0 429.520 4.258 40 0 IIABRO Cc1cccc2c1[nH]c([C@H]1CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C1)c2-c1ccncc1 ZINC000019236509 556721298 /nfs/dbraw/zinc/72/12/98/556721298.db2.gz USHNZPHAQUHSDY-UNMCSNQZSA-N 1 0 446.595 4.213 40 0 IIABRO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000019290167 556730104 /nfs/dbraw/zinc/73/01/04/556730104.db2.gz FXSPLGUARXLNGI-SFHVURJKSA-N 1 0 438.526 4.135 40 0 IIABRO CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)[nH]c2=O)C1 ZINC000019448357 556757675 /nfs/dbraw/zinc/75/76/75/556757675.db2.gz ZOAMMLWETAHBNF-IBGZPJMESA-N 1 0 440.613 4.256 40 0 IIABRO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)C[NH+]4CCCCCC4)C3)cc2n1 ZINC000019452402 556763350 /nfs/dbraw/zinc/76/33/50/556763350.db2.gz CCZGZYDRWOSODX-INIZCTEOSA-N 1 0 437.510 4.063 40 0 IIABRO CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019503571 556775372 /nfs/dbraw/zinc/77/53/72/556775372.db2.gz BHVHZJNGZZQHJM-MHZLTWQESA-N 1 0 428.580 4.495 40 0 IIABRO CCn1c(C)c(C[N@@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2cc(OC)ccc21 ZINC000019523870 556780970 /nfs/dbraw/zinc/78/09/70/556780970.db2.gz CJBYDJAMIGINOS-WNCULLNHSA-N 1 0 446.595 4.402 40 0 IIABRO CCN1CC[N@H+](Cc2ccccc2OC)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527714 556787026 /nfs/dbraw/zinc/78/70/26/556787026.db2.gz SXPHEIJSNNYTAC-XMMPIXPASA-N 1 0 429.564 4.280 40 0 IIABRO CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCC[N@H+](Cc2cnn(C)c2C)C1 ZINC000019528760 556789063 /nfs/dbraw/zinc/78/90/63/556789063.db2.gz ZYVZWKWNLXRASP-RUZDIDTESA-N 1 0 436.625 4.418 40 0 IIABRO CCOc1cc(CCC(=O)N2CCC(c3[nH+]c4ccccn4c3NC(C)(C)C)CC2)on1 ZINC000019532309 556792645 /nfs/dbraw/zinc/79/26/45/556792645.db2.gz BMBRWDPSAACJPA-UHFFFAOYSA-N 1 0 439.560 4.270 40 0 IIABRO COc1ccc(OC)c(C[NH+]2CCC(O)(Cn3c(C(F)(F)F)cc4cccnc43)CC2)c1 ZINC000019551450 556795619 /nfs/dbraw/zinc/79/56/19/556795619.db2.gz CGNKQHUMXFSEQM-UHFFFAOYSA-N 1 0 449.473 4.099 40 0 IIABRO Cc1c(C[N@H+]2CCC[C@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)cnn1C ZINC000019553618 556797376 /nfs/dbraw/zinc/79/73/76/556797376.db2.gz ZUFACYUYBUFDQQ-HHHXNRCGSA-N 1 0 445.611 4.140 40 0 IIABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1OC ZINC000019559917 556801553 /nfs/dbraw/zinc/80/15/53/556801553.db2.gz BYEUQUDBJGXVEW-GOTSBHOMSA-N 1 0 449.547 4.241 40 0 IIABRO Cc1nn(C)c(C)c1CCC(=O)NC1CC[NH+](CC2(c3ccccc3F)CCCC2)CC1 ZINC000019577695 556815551 /nfs/dbraw/zinc/81/55/51/556815551.db2.gz MKGBZLVSFGWQRE-UHFFFAOYSA-N 1 0 440.607 4.201 40 0 IIABRO CC[NH+](CC)CCCNC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000004131713 556818948 /nfs/dbraw/zinc/81/89/48/556818948.db2.gz KGZWJZMQJBCJBA-UHFFFAOYSA-N 1 0 428.646 4.188 40 0 IIABRO C[NH+](C)CC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 ZINC000019581780 556819954 /nfs/dbraw/zinc/81/99/54/556819954.db2.gz HWJWBEZSAVORSQ-OAQYLSRUSA-N 1 0 434.519 4.037 40 0 IIABRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)CC1 ZINC000019689818 556844708 /nfs/dbraw/zinc/84/47/08/556844708.db2.gz SCSBFBBPDMNDGA-QFIPXVFZSA-N 1 0 439.579 4.133 40 0 IIABRO CCn1cc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)c(C)n1 ZINC000019694344 556850135 /nfs/dbraw/zinc/85/01/35/556850135.db2.gz MPKGZYHROMUCOG-QHCPKHFHSA-N 1 0 434.588 4.470 40 0 IIABRO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)N3CCOCC3)cn2)c2ccccc21 ZINC000019708171 556868271 /nfs/dbraw/zinc/86/82/71/556868271.db2.gz NNQRFEUJFKSYIK-RUZDIDTESA-N 1 0 432.568 4.427 40 0 IIABRO CCn1cc(C[NH+]2CCC(c3nc(C)c4c(n3)N(C)C(=O)CC4)CC2)c2cc(OC)ccc21 ZINC000019739269 556877255 /nfs/dbraw/zinc/87/72/55/556877255.db2.gz GWBPIQGRDFRJQG-UHFFFAOYSA-N 1 0 447.583 4.057 40 0 IIABRO Cc1ncc(C[NH+]2CCC(c3nc(C)c4c(n3)N(Cc3ccccc3)C(=O)CC4)CC2)s1 ZINC000019739369 556877674 /nfs/dbraw/zinc/87/76/74/556877674.db2.gz KHUYQPAYNNBPLW-UHFFFAOYSA-N 1 0 447.608 4.409 40 0 IIABRO CC(=O)Nc1ccc(C[NH+]2CCC(c3nc(C)c4c(n3)N(CC(C)C)C(=O)CC4)CC2)cc1 ZINC000019739493 556878132 /nfs/dbraw/zinc/87/81/32/556878132.db2.gz WXQLLNKYZGTKOC-UHFFFAOYSA-N 1 0 449.599 4.058 40 0 IIABRO O=C1N[C@@]2(COC3(C2)CC[NH+](Cc2ccc4ncccc4c2)CC3)Nc2ccc(Cl)cc21 ZINC000072325582 556902960 /nfs/dbraw/zinc/90/29/60/556902960.db2.gz UDPAHTSBUZQVBE-VWLOTQADSA-N 1 0 448.954 4.195 40 0 IIABRO Cc1ncc(C[NH+]2CCC3(C[C@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)cn1 ZINC000072327242 556903654 /nfs/dbraw/zinc/90/36/54/556903654.db2.gz YKBFYENQMLKHFW-XMMPIXPASA-N 1 0 435.959 4.305 40 0 IIABRO C[C@H](C(=O)Nc1ccc(CC[C@H]2CC[N@H+](C)C[C@H]2C)cc1)n1ncc2ccccc2c1=O ZINC000072335307 556908272 /nfs/dbraw/zinc/90/82/72/556908272.db2.gz WSYMNBBJHPQMAU-SBHAEUEKSA-N 1 0 432.568 4.117 40 0 IIABRO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000072337788 556910872 /nfs/dbraw/zinc/91/08/72/556910872.db2.gz HPDFJXXPPNBDQC-QLLCAIDHSA-N 1 0 448.592 4.443 40 0 IIABRO O=C(C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCCCC1 ZINC000072359370 556932491 /nfs/dbraw/zinc/93/24/91/556932491.db2.gz DEIAHEQWDJCRDB-GOSISDBHSA-N 1 0 432.490 4.354 40 0 IIABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409052362 556933653 /nfs/dbraw/zinc/93/36/53/556933653.db2.gz CXTCGSKHXTYMDV-MNSXOOQPSA-O 1 0 440.567 4.443 40 0 IIABRO CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000072370703 556935962 /nfs/dbraw/zinc/93/59/62/556935962.db2.gz MIIFTRUJUPTFAB-IBGZPJMESA-N 1 0 441.641 4.403 40 0 IIABRO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(c2ccc(Nc3ncccn3)cn2)CC1 ZINC000072374285 556947603 /nfs/dbraw/zinc/94/76/03/556947603.db2.gz BSDCWNFEXVAIBC-UHFFFAOYSA-N 1 0 444.583 4.232 40 0 IIABRO C[C@@H](CCC(=O)N1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1)[NH+]1CCCC1 ZINC000072374305 556947625 /nfs/dbraw/zinc/94/76/25/556947625.db2.gz QIZQXCMCOURPEV-SFHVURJKSA-N 1 0 425.552 4.330 40 0 IIABRO Cc1csc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3ccc4c(c3)n(C)c(=O)n4C)n2)n1 ZINC000072375655 556952177 /nfs/dbraw/zinc/95/21/77/556952177.db2.gz VBLXFFOGBQINFL-SFHVURJKSA-N 1 0 434.569 4.118 40 0 IIABRO O=C(c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCOCC1 ZINC000072380040 556957356 /nfs/dbraw/zinc/95/73/56/556957356.db2.gz KGYVMSNTJPCHEA-HXUWFJFHSA-N 1 0 435.593 4.366 40 0 IIABRO COc1ccccc1/C=C/C[NH+]1CCC([C@@H](NC(=O)c2ccccn2)c2nccs2)CC1 ZINC000072394623 556966190 /nfs/dbraw/zinc/96/61/90/556966190.db2.gz JYKKCJZZRBWTJZ-AVAOGFIGSA-N 1 0 448.592 4.443 40 0 IIABRO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CO2 ZINC000072398602 556970215 /nfs/dbraw/zinc/97/02/15/556970215.db2.gz HREILENEUGTJQZ-NLFFAJNJSA-N 1 0 449.595 4.482 40 0 IIABRO COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)c1ccc(F)c(Cl)c1F)CC2 ZINC000585103782 557036418 /nfs/dbraw/zinc/03/64/18/557036418.db2.gz PTVPPYGBCJAFFH-QGZVFWFLSA-N 1 0 449.929 4.157 40 0 IIABRO COc1ccccc1-c1n[nH]cc1C(=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409414673 557109920 /nfs/dbraw/zinc/10/99/20/557109920.db2.gz NYFNOLMYHKOVBN-YBWLXYFRSA-N 1 0 432.568 4.121 40 0 IIABRO COc1ccc(-c2n[nH]cc2C(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)cc1 ZINC000409415159 557110331 /nfs/dbraw/zinc/11/03/31/557110331.db2.gz VSSYIVJWTHVJSH-YGDRIEADSA-N 1 0 432.568 4.121 40 0 IIABRO CC[NH+](CC)CCCNC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000006193125 557148114 /nfs/dbraw/zinc/14/81/14/557148114.db2.gz LNWUACZOISCMIX-UHFFFAOYSA-N 1 0 442.673 4.496 40 0 IIABRO CC[NH+](CC)CCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C(=O)N(C)C ZINC000096037390 557164485 /nfs/dbraw/zinc/16/44/85/557164485.db2.gz PBRQCVWWESBCHD-UHFFFAOYSA-N 1 0 425.577 4.168 40 0 IIABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CCN(C)CC4)c4ccccc43)CC2)s1 ZINC000096052934 557166450 /nfs/dbraw/zinc/16/64/50/557166450.db2.gz RKCBDKQMFSALJJ-OAQYLSRUSA-N 1 0 437.653 4.242 40 0 IIABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2C)c(C)c1 ZINC000010112044 557204557 /nfs/dbraw/zinc/20/45/57/557204557.db2.gz BYTAWGGGAFYRDW-UHFFFAOYSA-N 1 0 443.613 4.018 40 0 IIABRO CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000219426406 557244834 /nfs/dbraw/zinc/24/48/34/557244834.db2.gz YFAIOMZVEPEBBY-UHFFFAOYSA-N 1 0 442.922 4.400 40 0 IIABRO C[C@@H](c1ccccc1)[N@H+](CCN1CCN2CCCc3cccc(c32)C1=O)C1CCN(C)CC1 ZINC000057774291 557264119 /nfs/dbraw/zinc/26/41/19/557264119.db2.gz YJNJROXHIONBDN-QFIPXVFZSA-N 1 0 446.639 4.052 40 0 IIABRO Cc1ccc(Nc2nccc([C@H]3CC[C@H](CNC(=O)[C@H]([NH3+])c4ccccc4)CC3)n2)nc1 ZINC000100708877 557270646 /nfs/dbraw/zinc/27/06/46/557270646.db2.gz AWZDZUJTWLMNDT-SELNLUPBSA-N 1 0 430.556 4.014 40 0 IIABRO Cc1occc1-c1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1CCC[NH+](C)C ZINC000013512501 557333562 /nfs/dbraw/zinc/33/35/62/557333562.db2.gz BTJDHUQEMBHRKX-UHFFFAOYSA-N 1 0 447.992 4.491 40 0 IIABRO Cc1ccc2c(c1)nnn2C1CC[NH+](CC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000013561720 557352044 /nfs/dbraw/zinc/35/20/44/557352044.db2.gz JFUWNIHDEVVRLK-UHFFFAOYSA-N 1 0 439.563 4.282 40 0 IIABRO COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)C[NH+]2CCC(C)CC2)cc1OC ZINC000014608058 557448277 /nfs/dbraw/zinc/44/82/77/557448277.db2.gz WGDFZIKTADRXNA-RUZDIDTESA-N 1 0 448.567 4.472 40 0 IIABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)cc2)CC1 ZINC000017100757 557489341 /nfs/dbraw/zinc/48/93/41/557489341.db2.gz PAVDZTVPEMKCSB-VGOFMYFVSA-N 1 0 436.625 4.478 40 0 IIABRO C[NH+]1CCN(c2ccc(NC(=S)NCC3(c4ccc(Cl)cc4)CCCC3)cn2)CC1 ZINC000223979037 557538363 /nfs/dbraw/zinc/53/83/63/557538363.db2.gz VOKBLYUTUGNHFR-UHFFFAOYSA-N 1 0 444.048 4.285 40 0 IIABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c(Cl)c1Cl ZINC000224659865 557637183 /nfs/dbraw/zinc/63/71/83/557637183.db2.gz MBFDINQNJHBTTI-UHFFFAOYSA-N 1 0 443.396 4.466 40 0 IIABRO Cc1cc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1Br ZINC000224830684 557656483 /nfs/dbraw/zinc/65/64/83/557656483.db2.gz JFODVDLGEVDANS-UHFFFAOYSA-N 1 0 431.374 4.439 40 0 IIABRO COc1cc(C)c(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C(C)C ZINC000225880733 557788420 /nfs/dbraw/zinc/78/84/20/557788420.db2.gz IFZSOVYRLSXOPJ-UHFFFAOYSA-N 1 0 432.586 4.401 40 0 IIABRO Cc1cnn(CCOc2ccc(C[N@@H+]3CCC[C@@](O)(COc4ccc(C)cc4)CC3)cc2)c1 ZINC000585274637 568618717 /nfs/dbraw/zinc/61/87/17/568618717.db2.gz XVZFANVFFFPHCV-MHZLTWQESA-N 1 0 449.595 4.375 40 0 IIABRO CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(CN5CCOCC5)c4)OCC[C@@]31C2 ZINC000257203528 568666873 /nfs/dbraw/zinc/66/68/73/568666873.db2.gz AQLRYMMKIDHKIL-VOSCGQNSSA-N 1 0 440.628 4.173 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCCC1)N1C[C@@H](c2ccccc2)[C@]2(C1)CCCCC(=O)N2 ZINC000257208345 568668922 /nfs/dbraw/zinc/66/89/22/568668922.db2.gz BLTVGHFUMGXGIC-LBNVMWSVSA-N 1 0 445.607 4.341 40 0 IIABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(CC(=O)Nc4cc(C)on4)C3)c2)c1 ZINC000257218942 568673813 /nfs/dbraw/zinc/67/38/13/568673813.db2.gz DEYPYWVASNJKFR-SFHVURJKSA-N 1 0 435.528 4.257 40 0 IIABRO Cc1cc(C(F)F)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@H]3Cc2ccccc2)n1 ZINC000257223239 568675666 /nfs/dbraw/zinc/67/56/66/568675666.db2.gz DWMOFDBMNPMSHB-HKXKVELOSA-N 1 0 442.554 4.262 40 0 IIABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)CN3Cc4ccccc4C3=O)C2)[nH+]1 ZINC000257232887 568680518 /nfs/dbraw/zinc/68/05/18/568680518.db2.gz GMVYGMPNFPRNKT-IBGZPJMESA-N 1 0 444.510 4.245 40 0 IIABRO NC(=O)C[N@@H+]1CCCC[C@@H]2[C@H]1CCCN2Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000257234485 568680976 /nfs/dbraw/zinc/68/09/76/568680976.db2.gz GTRRUCIVBQLKPD-DHIUTWEWSA-N 1 0 442.003 4.223 40 0 IIABRO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(C(=O)c3n[nH]c4c3CCCCC4)C2)[nH+]1 ZINC000257241730 568684520 /nfs/dbraw/zinc/68/45/20/568684520.db2.gz HZJSSFYKMUBTOD-INIZCTEOSA-N 1 0 434.519 4.289 40 0 IIABRO CN(C)c1nc2ccccc2cc1CN1CCO[C@@H](c2cncc(-c3cccc(F)c3)n2)C1 ZINC000257242839 568684925 /nfs/dbraw/zinc/68/49/25/568684925.db2.gz IEKGKEPVIAUKOX-RUZDIDTESA-N 1 0 443.526 4.470 40 0 IIABRO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000257253419 568690069 /nfs/dbraw/zinc/69/00/69/568690069.db2.gz JYXKMBAGAOLUNE-IBGZPJMESA-N 1 0 446.576 4.210 40 0 IIABRO CC1(C)C[C@H](O)[C@H]2CC[C@](CNC(=O)CC[NH+]3CCCCC3)(c3ccccc3)CC[C@@H]2O1 ZINC000257273173 568698932 /nfs/dbraw/zinc/69/89/32/568698932.db2.gz NFNXVRQPDLHRLA-HKQJZWTQSA-N 1 0 442.644 4.035 40 0 IIABRO COCC(=O)N1CCC2(C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]2c2ccccc2)CC1 ZINC000257286561 568705042 /nfs/dbraw/zinc/70/50/42/568705042.db2.gz PMAGMKVUCKSPAF-FQEVSTJZSA-N 1 0 430.951 4.334 40 0 IIABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126620 568764401 /nfs/dbraw/zinc/76/44/01/568764401.db2.gz FALVMFQRJFZAAN-BVAGGSTKSA-N 1 0 447.558 4.016 40 0 IIABRO CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000306139576 568771332 /nfs/dbraw/zinc/77/13/32/568771332.db2.gz TUVIYXYEYGBMCT-UHFFFAOYSA-N 1 0 425.939 4.174 40 0 IIABRO O=C(c1cccs1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CC[NH+]1CCCC1 ZINC000306145148 568774229 /nfs/dbraw/zinc/77/42/29/568774229.db2.gz ZZLSFVLQMLASRZ-UHFFFAOYSA-N 1 0 448.592 4.231 40 0 IIABRO Cc1ccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329008136 568808971 /nfs/dbraw/zinc/80/89/71/568808971.db2.gz LPYNJSHZWQXYIL-UHFFFAOYSA-N 1 0 429.490 4.422 40 0 IIABRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cc(=O)[nH]c(NCc3cccnc3)n2)o1 ZINC000247877533 569206314 /nfs/dbraw/zinc/20/63/14/569206314.db2.gz BAPYSICWELXKOR-FGZHOGPDSA-N 1 0 441.535 4.474 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCCN(Cc3cccc(F)c3F)C2)[N@H+](C)C1 ZINC000248156537 569207398 /nfs/dbraw/zinc/20/73/98/569207398.db2.gz VXNUDOAHEVKNRV-LRXVAGHRSA-N 1 0 443.538 4.144 40 0 IIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)CC2)cc1 ZINC000009063174 569219754 /nfs/dbraw/zinc/21/97/54/569219754.db2.gz IOPLAVIKYWIIHZ-UHFFFAOYSA-N 1 0 442.563 4.171 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1 ZINC000019565042 569226956 /nfs/dbraw/zinc/22/69/56/569226956.db2.gz FAPFMKBZDUMDCB-HFZDXXHNSA-N 1 0 445.563 4.482 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCCN(Cc3cccc(F)c3F)C2)[N@H+](C)C1 ZINC000019587543 569227176 /nfs/dbraw/zinc/22/71/76/569227176.db2.gz VXNUDOAHEVKNRV-JUXOCIIHSA-N 1 0 443.538 4.144 40 0 IIABRO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccccc3)cc(C)n2)ccc1OCC(N)=O ZINC000019691929 569227803 /nfs/dbraw/zinc/22/78/03/569227803.db2.gz BKGHCMGZAQGRGK-XMMPIXPASA-N 1 0 445.563 4.191 40 0 IIABRO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CC[N@H+](Cc3cnc(C(C)C)nc3)C2)c1 ZINC000019695063 569229533 /nfs/dbraw/zinc/22/95/33/569229533.db2.gz GNDQUTRNFSXBKA-FQEVSTJZSA-N 1 0 432.572 4.121 40 0 IIABRO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CC[N@H+](Cc3cnc(C(C)C)nc3)C2)c1 ZINC000019695062 569229553 /nfs/dbraw/zinc/22/95/53/569229553.db2.gz GNDQUTRNFSXBKA-HXUWFJFHSA-N 1 0 432.572 4.121 40 0 IIABRO COc1ccc(-c2nc(C3CC[NH+](Cc4ccc(Cl)c(F)c4)CC3)[nH]c2C(N)=O)cc1 ZINC000019697001 569229918 /nfs/dbraw/zinc/22/99/18/569229918.db2.gz SAMYBTWTLBKPFB-UHFFFAOYSA-N 1 0 442.922 4.356 40 0 IIABRO COc1ccc(OCc2sc([C@]3(O)CCC[N@H+](CC4=CCCOC4)CC3)nc2C)cc1 ZINC000019705373 569234153 /nfs/dbraw/zinc/23/41/53/569234153.db2.gz JWYSFIMQURNGGB-DEOSSOPVSA-N 1 0 444.597 4.059 40 0 IIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cc(-c4cnn(C)c4C)on3)cc2)C1 ZINC000019711795 569235111 /nfs/dbraw/zinc/23/51/11/569235111.db2.gz GYCQWNUCCIYELB-KNQAVFIVSA-N 1 0 437.544 4.198 40 0 IIABRO Cc1cc(C)cc(C2(C(=O)N(C)Cc3cc(N(C)C)nc([C@H]4CCC[NH2+]4)n3)CCCC2)c1 ZINC000019760359 569237448 /nfs/dbraw/zinc/23/74/48/569237448.db2.gz DEWPVNYMAPEURN-JOCHJYFZSA-N 1 0 435.616 4.054 40 0 IIABRO COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4cc[nH+]cc4)c3C)C2=O)o1 ZINC000033623429 569245052 /nfs/dbraw/zinc/24/50/52/569245052.db2.gz YERKFPDEGKXONR-YBFXNURJSA-N 1 0 437.477 4.105 40 0 IIABRO CCN(CC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2NC(=[NH2+])C1 ZINC000209774474 569255842 /nfs/dbraw/zinc/25/58/42/569255842.db2.gz NXCVMJQQLJXREN-UHFFFAOYSA-N 1 0 430.552 4.234 40 0 IIABRO COc1ccc([C@H]2C[C@@H]([NH2+]Cc3cccc4ncccc34)CC[C@]23CCC(=O)N3)cc1OC ZINC000019740340 569328263 /nfs/dbraw/zinc/32/82/63/569328263.db2.gz WUDDXSHKDONZHA-ZIHSNCGMSA-N 1 0 445.563 4.327 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763477 569328856 /nfs/dbraw/zinc/32/88/56/569328856.db2.gz JNUXRQPOUFBZGE-OAQYLSRUSA-N 1 0 448.542 4.113 40 0 IIABRO CC[NH+](CC)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=S)NCc1ccccc1 ZINC000006193341 193890024 /nfs/dbraw/zinc/89/00/24/193890024.db2.gz WKQYIURHJLCDRJ-UHFFFAOYSA-N 1 0 436.625 4.055 40 0 IIABRO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000020503520 519707924 /nfs/dbraw/zinc/70/79/24/519707924.db2.gz MBROWBMTZMHKPK-PZJWPPBQSA-N 1 0 431.511 4.232 40 0 biogenic,in-vitro IIABRO CC[NH+](CC)CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000012707269 520596935 /nfs/dbraw/zinc/59/69/35/520596935.db2.gz PBLDPXUPBBTDJV-UHFFFAOYSA-N 1 0 442.604 4.113 40 0 IIABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCC ZINC000022109048 520714911 /nfs/dbraw/zinc/71/49/11/520714911.db2.gz DGCLPAJCNKWSLA-UHFFFAOYSA-N 1 0 447.992 4.385 40 0 IIABRO COc1ccc(C)cc1C[NH+]1CCC([C@H](NC(=O)c2ccccn2)c2ccccn2)CC1 ZINC000019133325 523810817 /nfs/dbraw/zinc/81/08/17/523810817.db2.gz YJCSPSYDKCRYFQ-VWLOTQADSA-N 1 0 430.552 4.177 40 0 IIABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(CC(=O)Nc4cnn(C)c4C)C3)c2)cc1 ZINC000072352030 524714089 /nfs/dbraw/zinc/71/40/89/524714089.db2.gz CZQNRCQFHMGXCI-LJQANCHMSA-N 1 0 448.571 4.002 40 0 IIABRO Cc1cccc2cc(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 ZINC000035312826 524973604 /nfs/dbraw/zinc/97/36/04/524973604.db2.gz YSXPVEATIOTPGY-UHFFFAOYSA-N 1 0 426.948 4.476 40 0 IIABRO COc1ccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1Br ZINC000408603225 555972172 /nfs/dbraw/zinc/97/21/72/555972172.db2.gz BPDRMDGNFQPQGK-UHFFFAOYSA-N 1 0 429.358 4.121 40 0 IIABRO COc1cc(C(=O)N2CCC(c3[nH+]c4ccc(F)cn4c3NC(C)(C)C)CC2)ccn1 ZINC000012087501 556400540 /nfs/dbraw/zinc/40/05/40/556400540.db2.gz RKTMUEJAYWUPIG-UHFFFAOYSA-N 1 0 425.508 4.107 40 0 IIABRO COc1ccc(CCN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000015890195 556561623 /nfs/dbraw/zinc/56/16/23/556561623.db2.gz CLZGAJRSBRUMBT-HXUWFJFHSA-N 1 0 430.976 4.270 40 0 IIABRO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000038857188 556626135 /nfs/dbraw/zinc/62/61/35/556626135.db2.gz JYNPBSKIFDBRPP-FQEVSTJZSA-N 1 0 429.967 4.348 40 0 IIABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133983 556705429 /nfs/dbraw/zinc/70/54/29/556705429.db2.gz HQVHPDKQPZIJTF-OAQYLSRUSA-N 1 0 446.599 4.174 40 0 IIABRO COc1ccccc1-c1cccc(C[N@@H+]2CCOC[C@H](Cc3ccc4nccn4n3)C2)c1 ZINC000257342573 556707506 /nfs/dbraw/zinc/70/75/06/556707506.db2.gz ZPHCTKUFTCEMPC-OAQYLSRUSA-N 1 0 428.536 4.096 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@@H](Cc2cncc3ccccc32)C1 ZINC000257238740 556710099 /nfs/dbraw/zinc/71/00/99/556710099.db2.gz HMIYCSKIQXDLER-NRFANRHFSA-N 1 0 429.564 4.162 40 0 IIABRO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000257242600 556710683 /nfs/dbraw/zinc/71/06/83/556710683.db2.gz IDGVSHNPVOTVHE-HHHXNRCGSA-N 1 0 429.564 4.283 40 0 IIABRO COc1cccc(-c2cccc(CC3(C(=O)NC[C@@H]4CCC[N@H+](C)C4)CCOCC3)c2)c1 ZINC000257311754 556718421 /nfs/dbraw/zinc/71/84/21/556718421.db2.gz UKVTYUBLAZYSCK-QFIPXVFZSA-N 1 0 436.596 4.160 40 0 IIABRO Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)c1 ZINC000019234759 556719034 /nfs/dbraw/zinc/71/90/34/556719034.db2.gz CVTGEJFOWRTGBO-XMMPIXPASA-N 1 0 448.611 4.478 40 0 IIABRO Cn1cc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)c2ccccc21 ZINC000019290365 556730543 /nfs/dbraw/zinc/73/05/43/556730543.db2.gz OETSIMZPOQHOSF-YADHBBJMSA-N 1 0 426.944 4.216 40 0 IIABRO O=C(Cc1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019343219 556741136 /nfs/dbraw/zinc/74/11/36/556741136.db2.gz VKXYWTTWDUWZFC-NRFANRHFSA-N 1 0 440.613 4.231 40 0 IIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019346069 556742678 /nfs/dbraw/zinc/74/26/78/556742678.db2.gz JZQHDJOZFKUMQA-RTWAWAEBSA-N 1 0 430.907 4.345 40 0 IIABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@H]2c2cccnc2)N1 ZINC000019349461 556744358 /nfs/dbraw/zinc/74/43/58/556744358.db2.gz VQOHAERGRLGHBA-RPLLCQBOSA-N 1 0 442.563 4.084 40 0 IIABRO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019447340 556756697 /nfs/dbraw/zinc/75/66/97/556756697.db2.gz UFAJGKVXDJKOHU-MHZLTWQESA-N 1 0 428.580 4.351 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3onc4c3C[C@H](C)CC4)C2)cc1CN1CCOCC1 ZINC000019497161 556769436 /nfs/dbraw/zinc/76/94/36/556769436.db2.gz DZIGMEBTHRYYKN-TZIWHRDSSA-N 1 0 439.600 4.020 40 0 IIABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000001327626 556773210 /nfs/dbraw/zinc/77/32/10/556773210.db2.gz ACERMFQYMCCTEH-UHFFFAOYSA-N 1 0 442.947 4.176 40 0 IIABRO COc1cc(C[NH2+]C2(c3ccccc3F)CCCC2)ccc1OCCN1CCOCC1 ZINC000019550212 556794998 /nfs/dbraw/zinc/79/49/98/556794998.db2.gz XZVLLDGQXOXKPA-UHFFFAOYSA-N 1 0 428.548 4.104 40 0 IIABRO Cc1c(C[NH+]2CCC3(C[C@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)cnn1C ZINC000019553589 556797355 /nfs/dbraw/zinc/79/73/55/556797355.db2.gz RSVVZICWGFWXNP-XMMPIXPASA-N 1 0 437.975 4.249 40 0 IIABRO Cc1sc2ncn(CC3(O)CC[NH+](Cc4ccc(C(C)C)cc4)CC3)c(=O)c2c1C ZINC000019561535 556802888 /nfs/dbraw/zinc/80/28/88/556802888.db2.gz DMLGABBWODYDMG-UHFFFAOYSA-N 1 0 425.598 4.225 40 0 IIABRO COc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2 ZINC000019563103 556804024 /nfs/dbraw/zinc/80/40/24/556804024.db2.gz VYDPHHASBJCMCF-FGZHOGPDSA-N 1 0 442.943 4.214 40 0 IIABRO Cc1c2ccccc2oc1C(=O)N1CCC(O)(C[N@@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC000019566026 556806462 /nfs/dbraw/zinc/80/64/62/556806462.db2.gz AEQZPKLBMHKWFK-QFIPXVFZSA-N 1 0 433.552 4.331 40 0 IIABRO COc1cccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]32)c1 ZINC000019566368 556807028 /nfs/dbraw/zinc/80/70/28/556807028.db2.gz GUCPPRXGBOKKKX-TWJOJJKGSA-N 1 0 427.548 4.221 40 0 IIABRO COc1ccccc1C[N@@H+]1CC[C@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 ZINC000019580403 556818497 /nfs/dbraw/zinc/81/84/97/556818497.db2.gz ACGCITHTBDEAGW-HHHXNRCGSA-N 1 0 429.564 4.280 40 0 IIABRO Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)NCCC[NH+](C)C)C3CCCCC3)cc12 ZINC000004132891 556819171 /nfs/dbraw/zinc/81/91/71/556819171.db2.gz QNIDGQCVMJVBIY-UHFFFAOYSA-N 1 0 428.646 4.106 40 0 IIABRO Cc1cc(C)c2cc(CN(C(=S)NCCC[NH+](C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000004132478 556819231 /nfs/dbraw/zinc/81/92/31/556819231.db2.gz ODMRNJMEKBEUJT-UHFFFAOYSA-N 1 0 428.646 4.106 40 0 IIABRO Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NCCC[NH+](C)C)C3CCCCC3)cc2c1 ZINC000004132742 556819247 /nfs/dbraw/zinc/81/92/47/556819247.db2.gz RGIHKBCFRLCGSY-UHFFFAOYSA-N 1 0 428.646 4.106 40 0 IIABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000004231266 556820948 /nfs/dbraw/zinc/82/09/48/556820948.db2.gz CIYLDDJSPCCBBZ-UHFFFAOYSA-N 1 0 426.948 4.340 40 0 IIABRO C[N@H+](CCCc1ccco1)Cc1c2nccnc2[nH]c1C1CCN(C(=O)C2CCC2)CC1 ZINC000019586090 556822876 /nfs/dbraw/zinc/82/28/76/556822876.db2.gz JVWRHKIXBPEABZ-UHFFFAOYSA-N 1 0 435.572 4.122 40 0 IIABRO CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCC[NH+](CC)CC ZINC000004980401 556826361 /nfs/dbraw/zinc/82/63/61/556826361.db2.gz WKKLNDRNTHVROE-UHFFFAOYSA-N 1 0 425.577 4.428 40 0 IIABRO Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)N[C@H](C)c3ccccc3)cc2c1 ZINC000006300347 556831903 /nfs/dbraw/zinc/83/19/03/556831903.db2.gz YEQJPNHSPDVVHG-LJQANCHMSA-N 1 0 436.625 4.144 40 0 IIABRO CC[NH+](CC)CCCNC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000006511335 556838222 /nfs/dbraw/zinc/83/82/22/556838222.db2.gz COOSCGIMHKCXHY-UHFFFAOYSA-N 1 0 432.537 4.164 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695798 556852627 /nfs/dbraw/zinc/85/26/27/556852627.db2.gz NWUKRZBEGDHGKF-OAQYLSRUSA-N 1 0 445.542 4.178 40 0 IIABRO CCn1cncc1C[NH+]1CCC2(C[C@@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000072327247 556903971 /nfs/dbraw/zinc/90/39/71/556903971.db2.gz UWDOKVVNCOFTTI-DEOSSOPVSA-N 1 0 437.975 4.423 40 0 IIABRO CCn1cncc1C[NH+]1CCC2(C[C@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000072327246 556904043 /nfs/dbraw/zinc/90/40/43/556904043.db2.gz UWDOKVVNCOFTTI-XMMPIXPASA-N 1 0 437.975 4.423 40 0 IIABRO Cc1nc(C2=CC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc(N2CCOCC2)c1C ZINC000072339541 556911719 /nfs/dbraw/zinc/91/17/19/556911719.db2.gz KOQPZFYYGLYSIP-UHFFFAOYSA-N 1 0 432.490 4.238 40 0 IIABRO COc1ccc2c(C[N@@H+]3CCC[C@@H](c4ccc(Nc5ncccn5)cn4)C3)cn(C)c2c1 ZINC000072353447 556926883 /nfs/dbraw/zinc/92/68/83/556926883.db2.gz GGSMAQIHGLXRMS-GOSISDBHSA-N 1 0 428.540 4.495 40 0 IIABRO CN(C)c1ncccc1C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371745 556940904 /nfs/dbraw/zinc/94/09/04/556940904.db2.gz MWLAKFLDGQUJBF-KRWDZBQOSA-N 1 0 425.964 4.135 40 0 IIABRO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(c2ccc(Nc3cnccn3)cn2)CC1 ZINC000072374286 556947700 /nfs/dbraw/zinc/94/77/00/556947700.db2.gz IGEGMFMYLKHAEI-UHFFFAOYSA-N 1 0 444.583 4.232 40 0 IIABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)COc3c(C)cccc3C)C2)[nH+]1 ZINC000072374999 556950045 /nfs/dbraw/zinc/95/00/45/556950045.db2.gz BYDIYULBSKPCNZ-FQEVSTJZSA-N 1 0 431.540 4.325 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(Nc4ncccn4)cc(C)n3)C2)cc1CO ZINC000072375049 556950369 /nfs/dbraw/zinc/95/03/69/556950369.db2.gz WNMAPWFQOCEXBU-FQEVSTJZSA-N 1 0 433.556 4.194 40 0 IIABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2cnc(C)n2C)C1 ZINC000072394073 556965689 /nfs/dbraw/zinc/96/56/89/556965689.db2.gz DZHMNSVQUMSABO-RUZDIDTESA-N 1 0 436.556 4.080 40 0 IIABRO Cc1cc2c(cc1C[NH+]1CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC1)OCO2 ZINC000072394595 556965919 /nfs/dbraw/zinc/96/59/19/556965919.db2.gz XGMNGQROPJGUEX-HXUWFJFHSA-N 1 0 429.586 4.296 40 0 IIABRO CCOc1ccc(CN2C[C@@H](c3cn(C)c4ccc(OC)cc34)[C@H]([NH+](C)C)C2)cc1OC ZINC000072395536 556967322 /nfs/dbraw/zinc/96/73/22/556967322.db2.gz JEEZHOBNRTZVLI-LADGPHEKSA-N 1 0 437.584 4.124 40 0 IIABRO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+](Cc4cc5c(cc4C)OCO5)C3)cc2n1 ZINC000072397143 556970044 /nfs/dbraw/zinc/97/00/44/556970044.db2.gz INEXAHQDMGNRCB-HNNXBMFYSA-N 1 0 432.446 4.473 40 0 IIABRO C[C@@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104153 557036815 /nfs/dbraw/zinc/03/68/15/557036815.db2.gz JODOVSBUUKNLRL-DFBJGRDBSA-N 1 0 448.592 4.017 40 0 IIABRO Cc1noc(C)c1C(=O)N1CCC[C@@]2(C1)C[N@H+](C(C)C)Cc1c(-c3ccccc3)ncn12 ZINC000585106711 557040761 /nfs/dbraw/zinc/04/07/61/557040761.db2.gz GKAHYZXKQDLOCF-RUZDIDTESA-N 1 0 433.556 4.010 40 0 IIABRO O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12)c1cccs1 ZINC000585110046 557042561 /nfs/dbraw/zinc/04/25/61/557042561.db2.gz ATQIMSHMHQZXCZ-RTWAWAEBSA-N 1 0 431.561 4.172 40 0 IIABRO O=C(Cc1ccccc1)NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12 ZINC000585110170 557043175 /nfs/dbraw/zinc/04/31/75/557043175.db2.gz RLXXATQGKSVEQK-JWQCQUIFSA-N 1 0 439.559 4.039 40 0 IIABRO CC[NH+](CC)CCCNC(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 ZINC000096037757 557165171 /nfs/dbraw/zinc/16/51/71/557165171.db2.gz SPPQRIBPSAXKNY-UHFFFAOYSA-N 1 0 431.584 4.484 40 0 IIABRO Cc1ccccc1C[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(C)C)[C@H]2CC1 ZINC000096145760 557175325 /nfs/dbraw/zinc/17/53/25/557175325.db2.gz BJOOFOXVYAFUCH-VXKWHMMOSA-N 1 0 428.598 4.067 40 0 IIABRO O=C(c1ccccc1C[NH+]1CCCCC1)N1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2 ZINC000585262090 557200692 /nfs/dbraw/zinc/20/06/92/557200692.db2.gz VPXCWSGCQRMLKG-RPLLCQBOSA-N 1 0 449.570 4.090 40 0 IIABRO CCCc1ncc(C[NH+]2CCC(Cc3nc(C)cc(Nc4ncc(C)s4)n3)CC2)cn1 ZINC000585263599 557204370 /nfs/dbraw/zinc/20/43/70/557204370.db2.gz SBFMDIJMAAQUMX-UHFFFAOYSA-N 1 0 437.617 4.491 40 0 IIABRO Cc1cnn(CCCOc2cccc(C[N@@H+]3CCC[C@](O)(COc4ccccc4)C3)c2)c1 ZINC000585271708 557215733 /nfs/dbraw/zinc/21/57/33/557215733.db2.gz NCXRZQOJDBRZOY-AREMUKBSSA-N 1 0 435.568 4.067 40 0 IIABRO COC1(COc2cccc(Cl)c2)CC[NH+](CC(=O)NC(C)(C)Cc2ccccc2)CC1 ZINC000585271796 557216271 /nfs/dbraw/zinc/21/62/71/557216271.db2.gz CVGANJGNHGNZFD-UHFFFAOYSA-N 1 0 445.003 4.337 40 0 IIABRO COc1ccc(C2=NN(CC[C@@H](C)[NH+]3CCCC3)C(=O)c3cc4ccccc4n3C2)cc1 ZINC000057740526 557257539 /nfs/dbraw/zinc/25/75/39/557257539.db2.gz WAQGZORDHLWSHR-LJQANCHMSA-N 1 0 430.552 4.384 40 0 IIABRO O=C1NCN(c2ccccc2)C12CC[NH+](Cc1c3ccccc3[nH]c1C(F)(F)F)CC2 ZINC000057762005 557261886 /nfs/dbraw/zinc/26/18/86/557261886.db2.gz RCRQUBDYGFNTMR-UHFFFAOYSA-N 1 0 428.458 4.115 40 0 IIABRO Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(C2CCN(C(=O)C(C)(C)[NH3+])CC2)n1 ZINC000143330062 557271312 /nfs/dbraw/zinc/27/13/12/557271312.db2.gz YHTKMUSFLNEEOG-UHFFFAOYSA-N 1 0 436.585 4.095 40 0 IIABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1Cc1ccco1 ZINC000223217125 557447210 /nfs/dbraw/zinc/44/72/10/557447210.db2.gz FOLRCOLWRMHTJE-GOTSBHOMSA-N 1 0 437.613 4.065 40 0 IIABRO O=c1cc(-c2ccc(F)cc2)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000014606944 557447264 /nfs/dbraw/zinc/44/72/64/557447264.db2.gz SEGQAMNTWKMRHV-UHFFFAOYSA-N 1 0 440.522 4.488 40 0 IIABRO CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)o2)cc1 ZINC000223284227 557455547 /nfs/dbraw/zinc/45/55/47/557455547.db2.gz VDWYZRIQFQOKPM-XZOQPEGZSA-N 1 0 436.581 4.274 40 0 IIABRO COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000223412592 557468614 /nfs/dbraw/zinc/46/86/14/557468614.db2.gz RCAVJEWGDDDJBM-ZEQRLZLVSA-N 1 0 441.560 4.449 40 0 IIABRO Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000223971796 557536891 /nfs/dbraw/zinc/53/68/91/557536891.db2.gz WMZUVCSXEQLCEM-XLNRJJMWSA-N 1 0 425.598 4.066 40 0 IIABRO O=C(NCC1(c2ccccc2)CCOCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000225289553 557709272 /nfs/dbraw/zinc/70/92/72/557709272.db2.gz SYGCBXYOUNIPPQ-UHFFFAOYSA-N 1 0 426.988 4.417 40 0 IIABRO COc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)CCOCC2)cc1 ZINC000225584153 557747126 /nfs/dbraw/zinc/74/71/26/557747126.db2.gz PQTICUCXTHAOKF-UHFFFAOYSA-N 1 0 438.568 4.247 40 0 IIABRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225588247 557748129 /nfs/dbraw/zinc/74/81/29/557748129.db2.gz QRQPXZBLELDLOX-UHFFFAOYSA-N 1 0 443.994 4.256 40 0 IIABRO COc1ccccc1N1CC[NH+](CCc2ccc3c(Br)ccc(O)c3n2)CC1 ZINC000059474715 557824442 /nfs/dbraw/zinc/82/44/42/557824442.db2.gz WRJHJHHZPJICOF-UHFFFAOYSA-N 1 0 442.357 4.076 40 0 IIABRO CC(=O)N1CC[N@@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585288046 568619285 /nfs/dbraw/zinc/61/92/85/568619285.db2.gz UXLNYAZRNVSQDB-WATLYSKOSA-N 1 0 434.596 4.013 40 0 IIABRO COc1cccc(C[N@@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)c1 ZINC000257204941 568667620 /nfs/dbraw/zinc/66/76/20/568667620.db2.gz AWYWWHUREXNOIY-OAQYLSRUSA-N 1 0 436.600 4.083 40 0 IIABRO CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)[nH+]3)C2)CC1 ZINC000257218768 568673630 /nfs/dbraw/zinc/67/36/30/568673630.db2.gz DEIUROWEXCJPOI-FQEVSTJZSA-N 1 0 438.547 4.237 40 0 IIABRO CC(C)(C)c1nccc([C@H]2C[C@@H](C(=O)N3CCC(F)(F)CC3)[NH2+][C@H]2c2cccc(F)c2)n1 ZINC000257230168 568679152 /nfs/dbraw/zinc/67/91/52/568679152.db2.gz GBDFNSSEQNLYQR-HOJAQTOUSA-N 1 0 446.517 4.358 40 0 IIABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)CN3Cc4ccccc4C3=O)C2)[nH+]1 ZINC000257232888 568680447 /nfs/dbraw/zinc/68/04/47/568680447.db2.gz GMVYGMPNFPRNKT-LJQANCHMSA-N 1 0 444.510 4.245 40 0 IIABRO CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@H+](Cc3ccc(OC)c(C)c3C)C2)nc1C ZINC000257236842 568682151 /nfs/dbraw/zinc/68/21/51/568682151.db2.gz HDZZKYINPLIVCK-JOCHJYFZSA-N 1 0 438.616 4.119 40 0 IIABRO Cc1nc(Nc2cccc([C@@H]3CN(Cc4c(C)nc5ccccn54)CCO3)n2)sc1C ZINC000257242643 568684940 /nfs/dbraw/zinc/68/49/40/568684940.db2.gz IDLKMZWIMBEUGN-FQEVSTJZSA-N 1 0 434.569 4.428 40 0 IIABRO Cc1nccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCCn2c3ccccc3nc2C(C)C)[C@H]1O ZINC000257242567 568684986 /nfs/dbraw/zinc/68/49/86/568684986.db2.gz IDDNUITZICLYTO-CQOQZXRMSA-N 1 0 437.588 4.058 40 0 IIABRO CC(C)N(C(=O)C[NH+]1CCC(c2cccc(Nc3ncccn3)n2)CC1)C1CCCCC1 ZINC000257243573 568685445 /nfs/dbraw/zinc/68/54/45/568685445.db2.gz IHPLIFCNEAYUAS-UHFFFAOYSA-N 1 0 436.604 4.364 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257250002 568688786 /nfs/dbraw/zinc/68/87/86/568688786.db2.gz JKOVSXISKMEJLD-HXUWFJFHSA-N 1 0 433.531 4.188 40 0 IIABRO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(c2cccc(Nc3ncccn3)n2)CC1 ZINC000257268884 568697016 /nfs/dbraw/zinc/69/70/16/568697016.db2.gz MNQRICWFEUHFCF-UHFFFAOYSA-N 1 0 444.583 4.232 40 0 IIABRO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)[nH+]1 ZINC000257288700 568706306 /nfs/dbraw/zinc/70/63/06/568706306.db2.gz PVFMRJCCVYMFFP-MRXNPFEDSA-N 1 0 444.507 4.293 40 0 IIABRO Cc1cccc(Nc2cccc(C3CC[NH+](Cc4ccc5c(c4)n(C)c(=O)n5C)CC3)n2)n1 ZINC000257289370 568706620 /nfs/dbraw/zinc/70/66/20/568706620.db2.gz PYHOMAKAVKNDGJ-UHFFFAOYSA-N 1 0 442.567 4.099 40 0 IIABRO Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257338157 568727857 /nfs/dbraw/zinc/72/78/57/568727857.db2.gz YWENRNCCOKJGFL-GOSISDBHSA-N 1 0 446.580 4.495 40 0 IIABRO CCn1nc(C)c(C[N@@H+]2CC[C@H](c3nc(N(C)C)ncc3-c3ccc(OC)cc3)C2)c1C ZINC000257344393 568730401 /nfs/dbraw/zinc/73/04/01/568730401.db2.gz ZXANZRRTPQCZKS-FQEVSTJZSA-N 1 0 434.588 4.041 40 0 IIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccncc5)C4)nn3c2)c1OC ZINC000306129393 568765628 /nfs/dbraw/zinc/76/56/28/568765628.db2.gz IBVUJMWXVRLBQE-FQEVSTJZSA-N 1 0 429.524 4.188 40 0 IIABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]2c1cccnc1 ZINC000306130528 568766187 /nfs/dbraw/zinc/76/61/87/568766187.db2.gz JIXJFMVXUNTGMK-RSXGOPAZSA-N 1 0 447.966 4.132 40 0 IIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cc(F)ccc5OC)cn4n3)C2)cn1 ZINC000306134662 568768626 /nfs/dbraw/zinc/76/86/26/568768626.db2.gz NUWNNXLQIMMGBH-LJQANCHMSA-N 1 0 434.519 4.140 40 0 IIABRO COc1ccc2c(ccn2CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)c1 ZINC000257198757 568921637 /nfs/dbraw/zinc/92/16/37/568921637.db2.gz HYOQKVKXBAYWJG-FVBVUHMPSA-N 1 0 433.596 4.462 40 0 IIABRO O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198806 568921706 /nfs/dbraw/zinc/92/17/06/568921706.db2.gz IXXDWTWTRRMKFM-ABALZIDYSA-N 1 0 428.580 4.211 40 0 IIABRO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000019236206 569226444 /nfs/dbraw/zinc/22/64/44/569226444.db2.gz TZFTVNCSJOVSCL-CJFMBICVSA-N 1 0 430.552 4.177 40 0 IIABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3ccccn3)CC2)sc1CCOc1ccccc1F ZINC000019696260 569229683 /nfs/dbraw/zinc/22/96/83/569229683.db2.gz NQUVRFUNWPQMJY-XMMPIXPASA-N 1 0 441.572 4.481 40 0 IIABRO COCc1cc(C[N@@H+]2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)ccc1OC(C)C ZINC000019702515 569232029 /nfs/dbraw/zinc/23/20/29/569232029.db2.gz KKTHONHBDXXXHJ-QGZVFWFLSA-N 1 0 439.581 4.318 40 0 IIABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3ccccn3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704900 569233756 /nfs/dbraw/zinc/23/37/56/569233756.db2.gz CQQMLRFICJOFOY-XMMPIXPASA-N 1 0 441.572 4.481 40 0 IIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3ncc(C(=O)Nc4ccccc4)c(C)n3)C2)cc1 ZINC000019765153 569238805 /nfs/dbraw/zinc/23/88/05/569238805.db2.gz QYIFOOQLKQTABV-OAQYLSRUSA-N 1 0 443.551 4.375 40 0 IIABRO Cc1ccccc1C[N@H+]1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1 ZINC000019687707 569326356 /nfs/dbraw/zinc/32/63/56/569326356.db2.gz QCTXDOPSIFMXST-QHCPKHFHSA-N 1 0 429.568 4.344 40 0 IIABRO COc1cc(C)ccc1C[NH+]1CCC(Cc2nn(C)cc2C(=O)NCc2ccccc2)CC1 ZINC000019756580 569328547 /nfs/dbraw/zinc/32/85/47/569328547.db2.gz BOGXSEMLYNVRBR-UHFFFAOYSA-N 1 0 446.595 4.122 40 0 IIABRO Cc1cc(Br)ccc1Nc1cc(-c2cccnc2)nc(NCCC[NH+](C)C)n1 ZINC000328968889 569583227 /nfs/dbraw/zinc/58/32/27/569583227.db2.gz DBBCNHYBQOKNCS-UHFFFAOYSA-N 1 0 441.377 4.717 40 0 IIABRO Cc1cc(Nc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)ccc1Br ZINC000329051409 569583988 /nfs/dbraw/zinc/58/39/88/569583988.db2.gz UWKZTCNPEOEPDK-UHFFFAOYSA-N 1 0 441.377 4.717 40 0 IIABRO CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1[NH+](Cc1ccco1)Cc1ccco1 ZINC000072320745 291380309 /nfs/dbraw/zinc/38/03/09/291380309.db2.gz REHJNFILPXNZNN-DVECYGJZSA-N 1 0 439.556 4.352 40 0 biogenic,in-vitro IIABRO Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3cccs3)nc(C)n2)cc1 ZINC000008623085 291384951 /nfs/dbraw/zinc/38/49/51/291384951.db2.gz IDUKFJMLLPLCKW-HBMCJLEFSA-N 1 0 432.593 4.430 40 0 biogenic,in-vitro IIABRO O=c1c(-c2ccc(OC(F)(F)F)cc2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1 ZINC000005415057 291386181 /nfs/dbraw/zinc/38/61/81/291386181.db2.gz OWWAALGBBYXXSL-DOTOQJQBSA-N 1 0 434.458 4.012 40 0 biogenic,in-vitro IIABRO CCc1ccc2[nH]c(=O)c(CN(C(=S)NCCC[NH+](CC)CC)C3CCCC3)cc2c1 ZINC000006197669 193891329 /nfs/dbraw/zinc/89/13/29/193891329.db2.gz RXXNXBOVUMXSOC-UHFFFAOYSA-N 1 0 442.673 4.442 40 0 IIABRO CCOc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCc1ccccc1F ZINC000022075588 520714887 /nfs/dbraw/zinc/71/48/87/520714887.db2.gz XOSQWHTZWPSURJ-UHFFFAOYSA-N 1 0 425.342 4.217 40 0 IIABRO Cc1cc(NCc2cc(-c3ccc(F)cc3)c[nH]c2=O)ccc1NC(=O)C[NH+]1CCCC1 ZINC000012144076 525277368 /nfs/dbraw/zinc/27/73/68/525277368.db2.gz PZATUGIVBAQHDA-UHFFFAOYSA-N 1 0 434.515 4.136 40 0 IIABRO CC[NH+](CC)C1CCC([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)CC1 ZINC000005807565 556066337 /nfs/dbraw/zinc/06/63/37/556066337.db2.gz OHPQBXGMPNAMEP-IHMJMLHXSA-N 1 0 430.589 4.086 40 0 IIABRO COc1cc(CNCCC[NH+](C)C)cc(Br)c1OCc1ccccc1F ZINC000008373828 556158617 /nfs/dbraw/zinc/15/86/17/556158617.db2.gz WTNIVKUJZZVFMU-UHFFFAOYSA-N 1 0 425.342 4.217 40 0 IIABRO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2C)cc1 ZINC000013648855 556545085 /nfs/dbraw/zinc/54/50/85/556545085.db2.gz KFTKQAHXTTXMNG-UHFFFAOYSA-N 1 0 443.613 4.100 40 0 IIABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044855683 556671957 /nfs/dbraw/zinc/67/19/57/556671957.db2.gz RBCSSRMPSWQAHL-QFIPXVFZSA-N 1 0 426.532 4.465 40 0 IIABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000019020532 556693404 /nfs/dbraw/zinc/69/34/04/556693404.db2.gz UDRHPNIGGWDEKH-SANMLTNESA-N 1 0 430.552 4.145 40 0 IIABRO COc1ccccc1-c1cccc(C[N@@H+]2CCOC[C@@H](Cc3ccc4nccn4n3)C2)c1 ZINC000257342572 556707518 /nfs/dbraw/zinc/70/75/18/556707518.db2.gz ZPHCTKUFTCEMPC-NRFANRHFSA-N 1 0 428.536 4.096 40 0 IIABRO Fc1ccc(COc2cccc(C[N@@H+]3CCOC[C@H](Cc4cn5ccnc5cn4)C3)c2)cc1 ZINC000257228250 556708460 /nfs/dbraw/zinc/70/84/60/556708460.db2.gz FTCBQGZOTHVFBY-JOCHJYFZSA-N 1 0 446.526 4.139 40 0 IIABRO COCc1ccc(OC)c(C[NH2+][C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)c1 ZINC000019217350 556712574 /nfs/dbraw/zinc/71/25/74/556712574.db2.gz OUZHZSDNADGSNH-NFBKMPQASA-N 1 0 428.598 4.443 40 0 IIABRO Cc1nccn1Cc1ccccc1C(=O)N1CCOC[C@H](Cc2cncc3ccccc32)C1 ZINC000257294689 556716680 /nfs/dbraw/zinc/71/66/80/556716680.db2.gz QVHHRCUZNLQBAR-OAQYLSRUSA-N 1 0 440.547 4.119 40 0 IIABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccccc3CC)cc2c1 ZINC000000894873 556740399 /nfs/dbraw/zinc/74/03/99/556740399.db2.gz KMMLRLFAUSFPDY-UHFFFAOYSA-N 1 0 436.625 4.414 40 0 IIABRO O=C(CC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccs1)CC2 ZINC000019343576 556741373 /nfs/dbraw/zinc/74/13/73/556741373.db2.gz DIEPDINKCLUDTF-NRFANRHFSA-N 1 0 440.613 4.024 40 0 IIABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019448947 556759017 /nfs/dbraw/zinc/75/90/17/556759017.db2.gz XRLQRDYCYHBKCE-HHHXNRCGSA-N 1 0 428.580 4.493 40 0 IIABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019448939 556759066 /nfs/dbraw/zinc/75/90/66/556759066.db2.gz CYTXIAYHEJYTFZ-HHHXNRCGSA-N 1 0 428.580 4.493 40 0 IIABRO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@H+](CC(=O)N(C(C)C)C(C)C)C3)cc2N1 ZINC000019451383 556762059 /nfs/dbraw/zinc/76/20/59/556762059.db2.gz CFNNHBJNQZTVQJ-JENIJYKNSA-N 1 0 443.558 4.261 40 0 IIABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4cccs4)[nH]c(=O)c3C2)CC1 ZINC000019496007 556768702 /nfs/dbraw/zinc/76/87/02/556768702.db2.gz VRJOPKXRWFBMKL-RJYAGPCLSA-N 1 0 426.586 4.158 40 0 IIABRO CCC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000019499321 556771124 /nfs/dbraw/zinc/77/11/24/556771124.db2.gz NOWPEOFLDJDBCM-SFTDATJTSA-N 1 0 444.959 4.073 40 0 IIABRO CCCN1CC[N@H+](Cc2cccc(C)n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503271 556774676 /nfs/dbraw/zinc/77/46/76/556774676.db2.gz AZWRFZIDTMEYTA-DEOSSOPVSA-N 1 0 428.580 4.365 40 0 IIABRO CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(Cc3[nH+]c(C)n4ccccc34)C[C@H]21 ZINC000019520108 556775853 /nfs/dbraw/zinc/77/58/53/556775853.db2.gz BHXAOCKURPNCLV-GBXCKJPGSA-N 1 0 432.568 4.168 40 0 IIABRO COc1ccc(OC)c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)Cc2ccsc2)c1 ZINC000019552622 556796486 /nfs/dbraw/zinc/79/64/86/556796486.db2.gz DUAQOITVZMZCFM-XZOQPEGZSA-N 1 0 436.577 4.092 40 0 IIABRO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccc(OC)cc4)C3)no2)cc1 ZINC000019555808 556798964 /nfs/dbraw/zinc/79/89/64/556798964.db2.gz RZGGVOXYGOWXSM-HXUWFJFHSA-N 1 0 435.524 4.001 40 0 IIABRO COc1ccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C[C@@H]32)cc1 ZINC000019557700 556799837 /nfs/dbraw/zinc/79/98/37/556799837.db2.gz LGJRBQHGTKHBDW-PQNGQFLHSA-N 1 0 426.507 4.200 40 0 IIABRO COc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)c1ccncc1 ZINC000019570560 556810724 /nfs/dbraw/zinc/81/07/24/556810724.db2.gz UEQSRKJMTNFUNU-VABKMULXSA-N 1 0 433.577 4.282 40 0 IIABRO Cc1cc2cc(CN(C(=S)NCCC[NH+](C)C)C3CCCCC3)c(=O)[nH]c2cc1C ZINC000004132989 556819269 /nfs/dbraw/zinc/81/92/69/556819269.db2.gz MGEAMPLIVCBAGO-UHFFFAOYSA-N 1 0 428.646 4.106 40 0 IIABRO C[NH+](C)CC(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 ZINC000019581783 556819947 /nfs/dbraw/zinc/81/99/47/556819947.db2.gz HWJWBEZSAVORSQ-NRFANRHFSA-N 1 0 434.519 4.037 40 0 IIABRO Cc1cc2cc(CN(CC[NH+](C)C)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C ZINC000004231218 556820591 /nfs/dbraw/zinc/82/05/91/556820591.db2.gz UDVBCNQHTAFVFA-UHFFFAOYSA-N 1 0 426.948 4.394 40 0 IIABRO COc1cccc(OC)c1C[NH+]1CCC(c2cc(N(C)C)nc(-c3cccnc3)n2)CC1 ZINC000019584467 556822000 /nfs/dbraw/zinc/82/20/00/556822000.db2.gz BZZGMSGCVRVQAO-UHFFFAOYSA-N 1 0 433.556 4.001 40 0 IIABRO COc1ccc(NC(=O)[C@@H]2C[C@H](C3CCN(Cc4ccc(F)c(F)c4)CC3)[N@H+](C)C2)cc1 ZINC000019587648 556823595 /nfs/dbraw/zinc/82/35/95/556823595.db2.gz JRHLZFNEQBHRMP-NTKDMRAZSA-N 1 0 443.538 4.144 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1CC[N@H+](C)[C@H]1[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000019590202 556825276 /nfs/dbraw/zinc/82/52/76/556825276.db2.gz IHYHWYSTQPEZRK-GLDPYIMESA-N 1 0 443.538 4.144 40 0 IIABRO CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019591331 556826529 /nfs/dbraw/zinc/82/65/29/556826529.db2.gz JTZKDCMGGLNUOC-MHZLTWQESA-N 1 0 429.564 4.328 40 0 IIABRO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=S)Nc3ccccc3)cc2c1 ZINC000006090226 556829031 /nfs/dbraw/zinc/82/90/31/556829031.db2.gz VKGJYIWRZPYYJQ-UHFFFAOYSA-N 1 0 438.597 4.078 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000019695782 556852715 /nfs/dbraw/zinc/85/27/15/556852715.db2.gz SIHIBZUUIXUQOD-HSZRJFAPSA-N 1 0 441.579 4.082 40 0 IIABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1)[C@@H]1CCCO1 ZINC000072330605 556906754 /nfs/dbraw/zinc/90/67/54/556906754.db2.gz YHUKXGSHORGOJF-COPCDDAFSA-N 1 0 447.501 4.349 40 0 IIABRO Cc1nc([C@H]2CCC[N@@H+](Cc3cn(C)c4ccc(F)cc34)C2)ncc1C(=O)N1CCCCC1 ZINC000019763301 556907979 /nfs/dbraw/zinc/90/79/79/556907979.db2.gz OPGWXWRCTPJABL-IBGZPJMESA-N 1 0 449.574 4.422 40 0 IIABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cc(OC)c1 ZINC000072352782 556925123 /nfs/dbraw/zinc/92/51/23/556925123.db2.gz ZVBYNJPTZRAAMM-SFHVURJKSA-N 1 0 427.545 4.134 40 0 IIABRO COc1ccc2c(C[N@@H+]3CCC[C@H](c4ccc(Nc5ncccn5)cn4)C3)cn(C)c2c1 ZINC000072353446 556926935 /nfs/dbraw/zinc/92/69/35/556926935.db2.gz GGSMAQIHGLXRMS-SFHVURJKSA-N 1 0 428.540 4.495 40 0 IIABRO Cc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 ZINC000409065320 556941424 /nfs/dbraw/zinc/94/14/24/556941424.db2.gz FYKRQKUIYLRMHW-YZJHEVQWSA-O 1 0 426.540 4.135 40 0 IIABRO C[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(C(F)(F)F)c2)CC1 ZINC000072377283 556956202 /nfs/dbraw/zinc/95/62/02/556956202.db2.gz HHAUEFUANYKJFO-LJQANCHMSA-N 1 0 447.505 4.140 40 0 IIABRO Cc1nc(C2CC[NH+](Cc3ccncc3)CC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000072380047 556957318 /nfs/dbraw/zinc/95/73/18/556957318.db2.gz NHQNIYJEOSILET-UHFFFAOYSA-N 1 0 441.579 4.082 40 0 IIABRO COCc1ccc(OC)c(C[N@@H+]2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 ZINC000072389769 556959845 /nfs/dbraw/zinc/95/98/45/556959845.db2.gz IMGHBSPUVOLNHC-INIZCTEOSA-N 1 0 434.462 4.201 40 0 IIABRO Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H](C)[NH+]3CCCCC3)CC2)on1 ZINC000257250043 556988791 /nfs/dbraw/zinc/98/87/91/556988791.db2.gz JKSWEGKGHUOSFD-MISYRCLQSA-N 1 0 425.577 4.013 40 0 IIABRO C[C@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104150 557036410 /nfs/dbraw/zinc/03/64/10/557036410.db2.gz JODOVSBUUKNLRL-CLOONOSVSA-N 1 0 448.592 4.017 40 0 IIABRO COc1ccc(-c2n[nH]cc2C(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000409415157 557110272 /nfs/dbraw/zinc/11/02/72/557110272.db2.gz VSSYIVJWTHVJSH-KAQDMCDHSA-N 1 0 432.568 4.121 40 0 IIABRO O=C(c1cccc(Nc2ncccn2)c1)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000585261882 557197383 /nfs/dbraw/zinc/19/73/83/557197383.db2.gz IYBAZJZPFYJBCQ-HJOGWXRNSA-N 1 0 427.552 4.361 40 0 IIABRO Cc1noc(C)c1COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3c(C)ccc(C)c3C)C2)cc1 ZINC000585268691 557207427 /nfs/dbraw/zinc/20/74/27/557207427.db2.gz QJAAIWUWMDKIHV-DQEYMECFSA-N 1 0 436.552 4.420 40 0 IIABRO O[C@H]1CC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cc(F)c(F)c(F)c1 ZINC000585282112 557221369 /nfs/dbraw/zinc/22/13/69/557221369.db2.gz HCDKVDLACBULPY-OVFSYLBISA-N 1 0 435.486 4.007 40 0 IIABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)/C=C/c4cccnc4)C3)c2)n1 ZINC000585293541 557231853 /nfs/dbraw/zinc/23/18/53/557231853.db2.gz ZCHQTZIGGGKHFT-MHNQQFQPSA-N 1 0 428.540 4.355 40 0 IIABRO CCCC[C@H](c1nnnn1Cc1ccco1)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057671212 557256970 /nfs/dbraw/zinc/25/69/70/557256970.db2.gz NMUQWNRGHXDJRC-HXUWFJFHSA-N 1 0 428.968 4.330 40 0 IIABRO COc1ccc([C@@H]2C[C@H](OC(=O)CCc3ccc(O)cc3)C[C@@H]3CCCC[N@@H+]32)cc1O ZINC000013407238 557322536 /nfs/dbraw/zinc/32/25/36/557322536.db2.gz TYTIBYQBVJUCGJ-NNWRFLSQSA-N 1 0 425.525 4.340 40 0 IIABRO CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222601945 557359875 /nfs/dbraw/zinc/35/98/75/557359875.db2.gz AIERIGHJYTTYDN-QGZVFWFLSA-N 1 0 428.533 4.198 40 0 IIABRO Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000222852834 557394485 /nfs/dbraw/zinc/39/44/85/557394485.db2.gz WCHJYCQQYMPCJP-XLNRJJMWSA-N 1 0 425.598 4.066 40 0 IIABRO COc1cc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC ZINC000013992682 557400732 /nfs/dbraw/zinc/40/07/32/557400732.db2.gz IZGHRNXBGWLSEE-UHFFFAOYSA-N 1 0 427.589 4.419 40 0 IIABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000014271830 557431004 /nfs/dbraw/zinc/43/10/04/557431004.db2.gz SJLRAHAAHAJYKZ-YCRREMRBSA-N 1 0 449.407 4.272 40 0 IIABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1Cc1ccccc1 ZINC000223223075 557447657 /nfs/dbraw/zinc/44/76/57/557447657.db2.gz MPPVGGPIWWOAMV-LOSJGSFVSA-N 1 0 447.652 4.472 40 0 IIABRO COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)C[NH+]2CCC(C)CC2)cc1OC ZINC000014608057 557448284 /nfs/dbraw/zinc/44/82/84/557448284.db2.gz WGDFZIKTADRXNA-VWLOTQADSA-N 1 0 448.567 4.472 40 0 IIABRO C[NH+]1CCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCCC3)cn2)CC1 ZINC000224008562 557543410 /nfs/dbraw/zinc/54/34/10/557543410.db2.gz SXBQZUPBNWBQGB-UHFFFAOYSA-N 1 0 441.620 4.161 40 0 IIABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)c(Cl)c1Cl ZINC000224770874 557649940 /nfs/dbraw/zinc/64/99/40/557649940.db2.gz IHLALNBDPZTIQS-UHFFFAOYSA-N 1 0 429.369 4.076 40 0 IIABRO Cc1cnn(CCOc2cccc(C[N@@H+]3CCC[C@](O)(COc4ccc(C)cc4)CC3)c2)c1 ZINC000585270630 568617080 /nfs/dbraw/zinc/61/70/80/568617080.db2.gz HCZHRQUQASLRBZ-HHHXNRCGSA-N 1 0 449.595 4.375 40 0 IIABRO CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@H+](Cc3cc(C)c(OC)cc3C)C2)nc1C ZINC000257202379 568666436 /nfs/dbraw/zinc/66/64/36/568666436.db2.gz ALMUEOPXWSAQEF-OAQYLSRUSA-N 1 0 438.616 4.119 40 0 IIABRO Cc1cc(N(C)C)nc([C@]2(C)CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000257208175 568668855 /nfs/dbraw/zinc/66/88/55/568668855.db2.gz BLAXTOQFWJIIJC-AREMUKBSSA-N 1 0 431.584 4.379 40 0 IIABRO CN(C)c1nc2ccccc2cc1CN1CCO[C@H](c2cncc(-c3cccc(F)c3)n2)C1 ZINC000257242840 568684895 /nfs/dbraw/zinc/68/48/95/568684895.db2.gz IEKGKEPVIAUKOX-VWLOTQADSA-N 1 0 443.526 4.470 40 0 IIABRO Cc1cc(N(C)C)nc([C@]2(C)CCC[N@H+](Cc3ccccc3OCc3cccnc3)C2)n1 ZINC000257269775 568697536 /nfs/dbraw/zinc/69/75/36/568697536.db2.gz MRIMSSNMSVOZTL-AREMUKBSSA-N 1 0 431.584 4.379 40 0 IIABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4cnn(C)c4C)CC3)CO[C@H]21 ZINC000257299290 568711128 /nfs/dbraw/zinc/71/11/28/568711128.db2.gz RPLJJUSHGHPFMU-RBBKRZOGSA-N 1 0 425.573 4.268 40 0 IIABRO CCCN1CC[N@H+](Cc2cccc(O)c2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257306734 568714037 /nfs/dbraw/zinc/71/40/37/568714037.db2.gz SVPLJRIKUQAQCG-DEOSSOPVSA-N 1 0 429.564 4.367 40 0 IIABRO CCCN1CC[N@H+](Cc2cccc(O)c2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257306735 568714097 /nfs/dbraw/zinc/71/40/97/568714097.db2.gz SVPLJRIKUQAQCG-XMMPIXPASA-N 1 0 429.564 4.367 40 0 IIABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000257314754 568717620 /nfs/dbraw/zinc/71/76/20/568717620.db2.gz UYHVVUQUZDMBIG-LJQANCHMSA-N 1 0 449.624 4.248 40 0 IIABRO COCCc1ncc(C[N@@H+]2CC[C@@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)cn1 ZINC000257345058 568730800 /nfs/dbraw/zinc/73/08/00/568730800.db2.gz ZZTUCSGSNYXDQO-LJQANCHMSA-N 1 0 438.601 4.175 40 0 IIABRO COc1ccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(CCN(CCc4ccccc4)C3=O)C2)cc1 ZINC000306133290 568767704 /nfs/dbraw/zinc/76/77/04/568767704.db2.gz MHQZJPCQMZSRLV-XCZPVHLTSA-N 1 0 441.575 4.151 40 0 IIABRO COc1ccccc1-c1ccc2c([C@H]3C[N@H+](Cc4ccc(C)s4)CCN3C)nnn2c1 ZINC000306133996 568768237 /nfs/dbraw/zinc/76/82/37/568768237.db2.gz NBIZKLZRWYQCCY-JOCHJYFZSA-N 1 0 433.581 4.264 40 0 IIABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C(F)(F)F)n1 ZINC000329068336 568811014 /nfs/dbraw/zinc/81/10/14/568811014.db2.gz YPTPLHFCRQKVRX-UHFFFAOYSA-N 1 0 441.807 4.119 40 0 IIABRO O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198809 568921642 /nfs/dbraw/zinc/92/16/42/568921642.db2.gz IXXDWTWTRRMKFM-XOKJFZFGSA-N 1 0 428.580 4.211 40 0 IIABRO COc1ccccc1-c1n[nH]cc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198983 568921695 /nfs/dbraw/zinc/92/16/95/568921695.db2.gz NYFNOLMYHKOVBN-AJDBGRLRSA-N 1 0 432.568 4.121 40 0 IIABRO COCCn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)cc2ccccc21 ZINC000257198528 568921702 /nfs/dbraw/zinc/92/17/02/568921702.db2.gz BKDVITVGXLIYEZ-DUOVIKOCSA-N 1 0 433.596 4.323 40 0 IIABRO COC(=O)c1c(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)sc2c1CCCC2 ZINC000009063605 569220026 /nfs/dbraw/zinc/22/00/26/569220026.db2.gz BSJWRTMLFGMCGE-UHFFFAOYSA-N 1 0 430.545 4.403 40 0 IIABRO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000012157803 569224828 /nfs/dbraw/zinc/22/48/28/569224828.db2.gz HPDFJXXPPNBDQC-BJPOTMLSSA-N 1 0 448.592 4.443 40 0 IIABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)cc1C ZINC000019567298 569226929 /nfs/dbraw/zinc/22/69/29/569226929.db2.gz CIHJJHNMJQTKQT-QFQXNSOFSA-N 1 0 444.579 4.485 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1 ZINC000019565038 569227024 /nfs/dbraw/zinc/22/70/24/569227024.db2.gz FAPFMKBZDUMDCB-QFQXNSOFSA-N 1 0 445.563 4.482 40 0 IIABRO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccccc3)cc(C)n2)ccc1OCC(N)=O ZINC000019691930 569227839 /nfs/dbraw/zinc/22/78/39/569227839.db2.gz BKGHCMGZAQGRGK-DEOSSOPVSA-N 1 0 445.563 4.191 40 0 IIABRO Cc1ccc(-c2cc(C[C@]3(C(=O)NCC(C)C)CCC[N@@H+]3Cc3ccccn3)on2)cc1 ZINC000019696506 569229799 /nfs/dbraw/zinc/22/97/99/569229799.db2.gz PFYICMJICFQLJV-SANMLTNESA-N 1 0 432.568 4.395 40 0 IIABRO Cc1ccc(-c2cc(C[C@]3(C(=O)NCC(C)C)CCC[N@@H+]3Cc3ccncc3)on2)cc1 ZINC000019696504 569229818 /nfs/dbraw/zinc/22/98/18/569229818.db2.gz KPVPCPASNRDWIQ-SANMLTNESA-N 1 0 432.568 4.395 40 0 IIABRO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000019702130 569231802 /nfs/dbraw/zinc/23/18/02/569231802.db2.gz WQEHPWCRDYPHRW-SFHVURJKSA-N 1 0 446.576 4.210 40 0 IIABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(Cc1ccccc1-c1ccccc1OC)C2 ZINC000019707113 569327529 /nfs/dbraw/zinc/32/75/29/569327529.db2.gz WZKKYPIAVPRVNN-JOCHJYFZSA-N 1 0 429.568 4.177 40 0 IIABRO COc1cccc(CNC(=O)c2cnc([C@H]3CC[N@H+](Cc4cccc(C)c4)C3)nc2C)c1 ZINC000019758091 569328749 /nfs/dbraw/zinc/32/87/49/569328749.db2.gz AHVSPTDNJODFMZ-QFIPXVFZSA-N 1 0 430.552 4.022 40 0 IIABRO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)nc2C)c1 ZINC000019763357 569328921 /nfs/dbraw/zinc/32/89/21/569328921.db2.gz RRYDXOLAAUKVAX-NRFANRHFSA-N 1 0 448.542 4.242 40 0 IIABRO Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC[NH+](C)C)n2)cc1 ZINC000328970348 569584247 /nfs/dbraw/zinc/58/42/47/569584247.db2.gz DJLUYJBANWEROB-UHFFFAOYSA-N 1 0 431.462 5.068 40 0 IIABRO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OCc1ccccc1F ZINC000022074138 520706279 /nfs/dbraw/zinc/70/62/79/520706279.db2.gz VDZJFVKSRZNNMD-UHFFFAOYSA-N 1 0 426.326 4.426 40 0 IIABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Br)c1OCc1cccnc1 ZINC000013566928 556520264 /nfs/dbraw/zinc/52/02/64/556520264.db2.gz JVYHPPCQDGGVQY-FQEVSTJZSA-N 1 0 443.341 4.255 40 0 IIABRO CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000032125407 556534897 /nfs/dbraw/zinc/53/48/97/556534897.db2.gz TXVCNQPZEOHRGZ-UHFFFAOYSA-N 1 0 440.613 4.134 40 0 IIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013612370 556535027 /nfs/dbraw/zinc/53/50/27/556535027.db2.gz OHIVQXQBIUZTQW-QFIPXVFZSA-N 1 0 443.613 4.180 40 0 IIABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857021 556672758 /nfs/dbraw/zinc/67/27/58/556672758.db2.gz BWMIZDKTAXRRLR-QHCPKHFHSA-N 1 0 428.598 4.203 40 0 IIABRO COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)CCCO2)c1 ZINC000257218452 556703557 /nfs/dbraw/zinc/70/35/57/556703557.db2.gz DDFGDFAMEXDXDS-KDYSTLNUSA-N 1 0 436.596 4.445 40 0 IIABRO Cc1ccc([C@H](C)C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCCC3)C4)C2)cc1 ZINC000019135714 556706162 /nfs/dbraw/zinc/70/61/62/556706162.db2.gz CIMBPVAKFYYFRJ-PZJWPPBQSA-N 1 0 448.611 4.301 40 0 IIABRO Cc1ccc(C2(O)CC[NH+](Cc3cn(CC(=O)N4CCCC4)c4ccccc34)CC2)cc1 ZINC000019208609 556708244 /nfs/dbraw/zinc/70/82/44/556708244.db2.gz KTFHJDPHQVXZGL-UHFFFAOYSA-N 1 0 431.580 4.056 40 0 IIABRO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([N@H+](CCc2ccccc2)Cc2cccs2)C1 ZINC000257251717 556711634 /nfs/dbraw/zinc/71/16/34/556711634.db2.gz JRWWTRRJHFYPNE-ZEQRLZLVSA-N 1 0 436.577 4.175 40 0 IIABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCCC[C@H]2N(C(=O)COc1ccc(F)cc1F)[C@H]3Cc1ccccc1 ZINC000257273865 556714155 /nfs/dbraw/zinc/71/41/55/556714155.db2.gz NINRKTYHMFDVFA-XYYTWLRXSA-N 1 0 440.534 4.477 40 0 IIABRO COc1ccccc1-c1cccc(CC2(C(=O)NCC[C@H]3CCC[N@@H+]3C)CCOCC2)c1 ZINC000257273380 556714175 /nfs/dbraw/zinc/71/41/75/556714175.db2.gz NGIFHLWEGAYQNV-HSZRJFAPSA-N 1 0 436.596 4.302 40 0 IIABRO Cc1ccsc1C[N@@H+](C)Cc1c2cc(C)cn(CC(=O)N(C)C)c-2nc1C(F)(F)F ZINC000019238565 556723885 /nfs/dbraw/zinc/72/38/85/556723885.db2.gz LXCMFVXSWSLMAK-UHFFFAOYSA-N 1 0 438.519 4.405 40 0 IIABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019448941 556759117 /nfs/dbraw/zinc/75/91/17/556759117.db2.gz CYTXIAYHEJYTFZ-MHZLTWQESA-N 1 0 428.580 4.493 40 0 IIABRO CCN1CC[N@H+](Cc2cccc(OC)c2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527756 556787371 /nfs/dbraw/zinc/78/73/71/556787371.db2.gz MMHXYBAXDHILFD-XMMPIXPASA-N 1 0 429.564 4.280 40 0 IIABRO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000019529133 556790613 /nfs/dbraw/zinc/79/06/13/556790613.db2.gz OTLAUKOSDNAGCL-MHZLTWQESA-N 1 0 429.564 4.328 40 0 IIABRO CCOc1cc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[nH]c(C)n3)C2)ccc1OC ZINC000019532129 556792607 /nfs/dbraw/zinc/79/26/07/556792607.db2.gz HQMPUMFCAUOZRI-VQTJNVASSA-N 1 0 437.515 4.008 40 0 IIABRO Cc1c(C[N@H+]2CCC[C@@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)cnn1C ZINC000019553621 556797218 /nfs/dbraw/zinc/79/72/18/556797218.db2.gz ZUFACYUYBUFDQQ-MHZLTWQESA-N 1 0 445.611 4.140 40 0 IIABRO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](Cc4cccc(OC)c4)C3)no2)cc1 ZINC000019555826 556799126 /nfs/dbraw/zinc/79/91/26/556799126.db2.gz PWPICUNPOMGEAQ-HXUWFJFHSA-N 1 0 435.524 4.001 40 0 IIABRO Cc1c2ccccc2oc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C(C)C)C2 ZINC000019566161 556806925 /nfs/dbraw/zinc/80/69/25/556806925.db2.gz VUOVYLDPZMZMKW-HXUWFJFHSA-N 1 0 434.540 4.371 40 0 IIABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3c(C)[nH]c4ccc(F)cc43)CC1)C[C@@H]2O ZINC000019581424 556819329 /nfs/dbraw/zinc/81/93/29/556819329.db2.gz QHSHNXYKSRBEAX-VXKWHMMOSA-N 1 0 440.515 4.008 40 0 IIABRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2ccncc2)c2cnccc2n1 ZINC000019582552 556820340 /nfs/dbraw/zinc/82/03/40/556820340.db2.gz KYYSKXCIMJZZTI-UHFFFAOYSA-N 1 0 429.499 4.035 40 0 IIABRO COc1ccccc1NC(=O)[C@@H]1CC[N@H+](C)[C@H]1[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000019590201 556824912 /nfs/dbraw/zinc/82/49/12/556824912.db2.gz IHYHWYSTQPEZRK-IECBHUPTSA-N 1 0 443.538 4.144 40 0 IIABRO COc1cc(C[N@H+](C)C[C@@H](O)COCC2=CC[C@@H]3C[C@H]2C3(C)C)ccc1OC(F)F ZINC000005830993 556827364 /nfs/dbraw/zinc/82/73/64/556827364.db2.gz MDWWFSJAMFUYHX-GUDVDZBRSA-N 1 0 425.516 4.098 40 0 IIABRO Cc1cc(C)c2cc(CN(CCC[NH+](C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000006301282 556832209 /nfs/dbraw/zinc/83/22/09/556832209.db2.gz QZWMTAPCDDTPQS-UHFFFAOYSA-N 1 0 440.588 4.435 40 0 IIABRO COCCc1ncc(C[N@@H+]2CCC[C@H](c3ccc(Cc4cccc(OC)c4)cn3)C2)cn1 ZINC000019690234 556845601 /nfs/dbraw/zinc/84/56/01/556845601.db2.gz NDZUEMMVDGXDKU-QHCPKHFHSA-N 1 0 432.568 4.040 40 0 IIABRO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@H+]2CC(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000019691015 556846971 /nfs/dbraw/zinc/84/69/71/556846971.db2.gz RLISQFONJMSCAH-XMMPIXPASA-N 1 0 444.583 4.003 40 0 IIABRO COCCc1ncc(C[NH+]2CCC(c3cc(Cc4ccc(OC)cc4)cc(C)n3)CC2)cn1 ZINC000019691736 556847346 /nfs/dbraw/zinc/84/73/46/556847346.db2.gz NNLRWPQVEJACOH-UHFFFAOYSA-N 1 0 446.595 4.348 40 0 IIABRO CNc1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)C2(c3ccc(C)cc3)CCCCC2)n1 ZINC000019709978 556871588 /nfs/dbraw/zinc/87/15/88/556871588.db2.gz PNBQWAYCARKCES-HXUWFJFHSA-N 1 0 435.616 4.154 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)nc2c1CCC(=O)N2C ZINC000019741529 556883864 /nfs/dbraw/zinc/88/38/64/556883864.db2.gz RIHFMVATXGHWRO-OAQYLSRUSA-N 1 0 427.552 4.136 40 0 IIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1OC ZINC000072351301 556920926 /nfs/dbraw/zinc/92/09/26/556920926.db2.gz CJXZNTDKDJYEJG-KRWDZBQOSA-N 1 0 427.545 4.134 40 0 IIABRO O=C(NCCO)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000072352279 556923624 /nfs/dbraw/zinc/92/36/24/556923624.db2.gz PHTFFOPOYVCMJK-SFHVURJKSA-N 1 0 431.561 4.161 40 0 IIABRO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072370527 556935214 /nfs/dbraw/zinc/93/52/14/556935214.db2.gz WKOHPQSMEOTQMU-IBGZPJMESA-N 1 0 426.557 4.360 40 0 IIABRO NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000072370757 556936534 /nfs/dbraw/zinc/93/65/34/556936534.db2.gz KGPSYBMQRNWXLM-IBGZPJMESA-N 1 0 449.624 4.378 40 0 IIABRO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000072375653 556952089 /nfs/dbraw/zinc/95/20/89/556952089.db2.gz IDMZXVDUOBZDGC-FQEVSTJZSA-N 1 0 428.540 4.056 40 0 IIABRO Cc1cccnc1Nc1cccc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)n(C)c(=O)n4C)C2)n1 ZINC000072376082 556953900 /nfs/dbraw/zinc/95/39/00/556953900.db2.gz NNXOMCNPJAHKNZ-FQEVSTJZSA-N 1 0 442.567 4.099 40 0 IIABRO O=C(c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCOCC1 ZINC000072380061 556957291 /nfs/dbraw/zinc/95/72/91/556957291.db2.gz WVGOGHSDAYNYPN-FQEVSTJZSA-N 1 0 435.593 4.366 40 0 IIABRO Cc1nc(C2CC[NH+](Cc3ccccn3)CC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000072380085 556957541 /nfs/dbraw/zinc/95/75/41/556957541.db2.gz QSQLMTHYVRGKSB-UHFFFAOYSA-N 1 0 441.579 4.082 40 0 IIABRO CC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2cc(C)no2)CC1 ZINC000257203926 556980570 /nfs/dbraw/zinc/98/05/70/556980570.db2.gz ASFLOVJFLPKMHH-ACRUOGEOSA-N 1 0 439.604 4.403 40 0 IIABRO O=C(CC1CCOCC1)NC1CC2(C1)CC[NH+](Cc1ccc(OCC(F)F)cc1)CC2 ZINC000585103634 557035909 /nfs/dbraw/zinc/03/59/09/557035909.db2.gz QEVOPXLXXVNTBJ-UHFFFAOYSA-N 1 0 436.543 4.008 40 0 IIABRO O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12)c1ccsc1 ZINC000585110119 557042476 /nfs/dbraw/zinc/04/24/76/557042476.db2.gz KYRSVJHUZLYXSL-FGZHOGPDSA-N 1 0 431.561 4.172 40 0 IIABRO O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12)c1ccsc1 ZINC000585110120 557043164 /nfs/dbraw/zinc/04/31/64/557043164.db2.gz KYRSVJHUZLYXSL-VXKWHMMOSA-N 1 0 431.561 4.172 40 0 IIABRO CC(=O)N[C@]12C[N@H+](Cc3cc4ccccc4s3)[C@H](c3ccccc3)[C@H]1CN(C(C)=O)CC2 ZINC000585261343 557194597 /nfs/dbraw/zinc/19/45/97/557194597.db2.gz WZOLMBJYOVJKOJ-LGPLSSKUSA-N 1 0 447.604 4.202 40 0 IIABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccccc3OC[C@@H]3CCCO3)C[C@H]2c2ccccc2)N1 ZINC000585261704 557196437 /nfs/dbraw/zinc/19/64/37/557196437.db2.gz XOJXRERVKAHGSV-NLJOTIRTSA-N 1 0 434.580 4.273 40 0 IIABRO Cc1cnc(Nc2cccc(C3CCN(C(=O)C4CC[NH+](C(C)C)CC4)CC3)n2)s1 ZINC000585262619 557202657 /nfs/dbraw/zinc/20/26/57/557202657.db2.gz IYKJYPRTPYLHJE-UHFFFAOYSA-N 1 0 427.618 4.417 40 0 IIABRO CCN(Cc1nc(-c2cccs2)no1)C(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000219426606 557244847 /nfs/dbraw/zinc/24/48/47/557244847.db2.gz HTXYOAGBUGVKKY-UHFFFAOYSA-N 1 0 428.533 4.198 40 0 IIABRO CC[NH+](CC)CCCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000057743671 557258104 /nfs/dbraw/zinc/25/81/04/557258104.db2.gz PZWUUWLXKQYTCC-UHFFFAOYSA-N 1 0 448.590 4.380 40 0 IIABRO COc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCCCCC4)cc3)n2)c1 ZINC000219964824 557272575 /nfs/dbraw/zinc/27/25/75/557272575.db2.gz LEPUKCIBMKUHCO-UHFFFAOYSA-N 1 0 434.540 4.393 40 0 IIABRO Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H](C)[NH+]3CCCCC3)CC2)on1 ZINC000100743665 557274280 /nfs/dbraw/zinc/27/42/80/557274280.db2.gz JKSWEGKGHUOSFD-RLLQIKCJSA-N 1 0 425.577 4.013 40 0 IIABRO Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022929097 557277587 /nfs/dbraw/zinc/27/75/87/557277587.db2.gz JQKWSZNKSXGCPB-RUZDIDTESA-N 1 0 430.600 4.070 40 0 IIABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000023469520 557314749 /nfs/dbraw/zinc/31/47/49/557314749.db2.gz PIHLEJIOOYICGP-CYBMUJFWSA-N 1 0 447.790 4.294 40 0 IIABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223259856 557452103 /nfs/dbraw/zinc/45/21/03/557452103.db2.gz UDTVWTLFUASAKS-NHCUHLMSSA-N 1 0 425.989 4.060 40 0 IIABRO Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223290427 557456290 /nfs/dbraw/zinc/45/62/90/557456290.db2.gz ZVRDISUKUTZRKA-RPWUZVMVSA-N 1 0 433.625 4.332 40 0 IIABRO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000223750416 557509061 /nfs/dbraw/zinc/50/90/61/557509061.db2.gz VHRRPJIIZXKYCZ-DHIUTWEWSA-N 1 0 427.533 4.453 40 0 IIABRO COc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C(C)(C)C)c1 ZINC000019901758 557509834 /nfs/dbraw/zinc/50/98/34/557509834.db2.gz SZKSFMSOBOVNGD-HXUWFJFHSA-N 1 0 432.992 4.208 40 0 IIABRO O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023073058 557528806 /nfs/dbraw/zinc/52/88/06/557528806.db2.gz JJVDQAKSJWDOBV-OHKMUVNKSA-N 1 0 447.063 4.442 40 0 IIABRO COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)c1 ZINC000224522951 557616276 /nfs/dbraw/zinc/61/62/76/557616276.db2.gz POGNZQSENPDLBH-PKTZIBPZSA-N 1 0 427.533 4.453 40 0 IIABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccc(F)cc2)CCOCC1 ZINC000225573893 557745219 /nfs/dbraw/zinc/74/52/19/557745219.db2.gz BHZCVHOBIFYJNH-UHFFFAOYSA-N 1 0 426.532 4.377 40 0 IIABRO O=C(NCc1cccc(N2CCCC2=O)c1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225586676 557747699 /nfs/dbraw/zinc/74/76/99/557747699.db2.gz YKLYCDHUGHRDHM-UHFFFAOYSA-N 1 0 443.950 4.134 40 0 IIABRO Cc1nc2cc([C@H]3CC[N@H+](Cc4ccccc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257221420 568675007 /nfs/dbraw/zinc/67/50/07/568675007.db2.gz DOYVIJIMYOQJAU-NRFANRHFSA-N 1 0 433.600 4.183 40 0 IIABRO CCCN1CC[N@H+](Cc2[nH]c(CC)nc2C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257244828 568686077 /nfs/dbraw/zinc/68/60/77/568686077.db2.gz IMZXXNGPQFEQOQ-HSZRJFAPSA-N 1 0 445.611 4.256 40 0 IIABRO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000257253420 568690198 /nfs/dbraw/zinc/69/01/98/568690198.db2.gz JYXKMBAGAOLUNE-LJQANCHMSA-N 1 0 446.576 4.210 40 0 IIABRO O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2cccc3nccn32)CC1 ZINC000257271175 568698253 /nfs/dbraw/zinc/69/82/53/568698253.db2.gz MXDPCHWLMULFGR-IBGZPJMESA-N 1 0 427.508 4.402 40 0 IIABRO CNC(=O)c1cccc([C@@H]2C[N@H+](Cc3ccccc3-c3ccccc3F)CCN2C(C)=O)c1 ZINC000257278555 568701682 /nfs/dbraw/zinc/70/16/82/568701682.db2.gz OCRUVXSBZDUROX-SANMLTNESA-N 1 0 445.538 4.258 40 0 IIABRO Cc1nc(Nc2cc(C)nc([C@H]3CN(C(=O)COc4ccccc4)CCO3)c2)sc1C ZINC000257287479 568705514 /nfs/dbraw/zinc/70/55/14/568705514.db2.gz PQDZFZAQPHNLCS-OAQYLSRUSA-N 1 0 438.553 4.186 40 0 IIABRO Cc1cc(Nc2nccs2)cc([C@H]2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)[nH+]1 ZINC000257287767 568705665 /nfs/dbraw/zinc/70/56/65/568705665.db2.gz PRKJFBNTRPWCNM-INIZCTEOSA-N 1 0 440.573 4.435 40 0 IIABRO COc1ccc(C[NH+](C)C)cc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)C(C)C ZINC000257289649 568706495 /nfs/dbraw/zinc/70/64/95/568706495.db2.gz PZPNOAUMZRWULF-LWVNCIGZSA-N 1 0 428.617 4.411 40 0 IIABRO O=C(c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1)N1CCOCC1 ZINC000257299958 568711211 /nfs/dbraw/zinc/71/12/11/568711211.db2.gz RSIJAQAQSGIDEX-LJQANCHMSA-N 1 0 446.576 4.240 40 0 IIABRO COc1ccc(-c2nccc([C@@H]3CCCN3C(=O)c3ccccc3Cn3ccnc3)n2)cc1 ZINC000257324906 568722120 /nfs/dbraw/zinc/72/21/20/568722120.db2.gz WQRYJMXGGQOERL-DEOSSOPVSA-N 1 0 439.519 4.374 40 0 IIABRO COc1cccc(C[N@@H+]2CC[C@@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 ZINC000257332389 568725391 /nfs/dbraw/zinc/72/53/91/568725391.db2.gz XXCMBOUZFRYGJE-HXUWFJFHSA-N 1 0 448.542 4.412 40 0 IIABRO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000257337839 568727873 /nfs/dbraw/zinc/72/78/73/568727873.db2.gz YUQOTBWXJSKYBT-JWQCQUIFSA-N 1 0 434.511 4.210 40 0 IIABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5cccc(C)n5)C4)nn3c2)c1OC ZINC000306124198 568763010 /nfs/dbraw/zinc/76/30/10/568763010.db2.gz BIYUJJJMCVREHI-HXUWFJFHSA-N 1 0 443.551 4.497 40 0 IIABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccccc3Cl)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306127772 568764933 /nfs/dbraw/zinc/76/49/33/568764933.db2.gz GHJFXWXSYPYRLI-HYBUGGRVSA-N 1 0 426.992 4.346 40 0 IIABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5cccnc5OC)C4)nn3c2)c1 ZINC000306143603 568773386 /nfs/dbraw/zinc/77/33/86/568773386.db2.gz YGSVMJBMBSLJNU-HXUWFJFHSA-N 1 0 429.524 4.188 40 0 IIABRO Cc1c(F)cccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCC[NH+](C)C)n1 ZINC000329048486 568810384 /nfs/dbraw/zinc/81/03/84/568810384.db2.gz ULBVUODHXXLNLA-UHFFFAOYSA-N 1 0 449.452 4.051 40 0 IIABRO C[NH+](C)CCCNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329069722 568811147 /nfs/dbraw/zinc/81/11/47/568811147.db2.gz ZAIMXMSBTAFSKJ-UHFFFAOYSA-N 1 0 433.453 4.253 40 0 IIABRO C[C@@]1(N(CC[NH2+]Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)CCS(=O)(=O)C1 ZINC000575421190 568863235 /nfs/dbraw/zinc/86/32/35/568863235.db2.gz NLTHEIGQTUZLFT-OAQYLSRUSA-N 1 0 441.424 4.162 40 0 IIABRO COc1ccc2c(ccn2CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)c1 ZINC000257198759 568921589 /nfs/dbraw/zinc/92/15/89/568921589.db2.gz HYOQKVKXBAYWJG-RAARWZODSA-N 1 0 433.596 4.462 40 0 IIABRO COC(=O)c1c(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)sc2c1CCCC2 ZINC000009063508 569220022 /nfs/dbraw/zinc/22/00/22/569220022.db2.gz OCALBQNYQUWWAD-UHFFFAOYSA-N 1 0 430.545 4.403 40 0 IIABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010329787 569223244 /nfs/dbraw/zinc/22/32/44/569223244.db2.gz KBYLWSBWXWWFAF-UHFFFAOYSA-N 1 0 435.549 4.336 40 0 IIABRO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ncccc2C)C1 ZINC000019237794 569226462 /nfs/dbraw/zinc/22/64/62/569226462.db2.gz IRSHULNKOTXEDY-NBGIEHNGSA-N 1 0 430.552 4.177 40 0 IIABRO CNc1ncccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000019592045 569227205 /nfs/dbraw/zinc/22/72/05/569227205.db2.gz ZEPZIXAPDGWRED-AUSIDOKSSA-N 1 0 433.531 4.041 40 0 IIABRO CNc1ncccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000019592046 569227446 /nfs/dbraw/zinc/22/74/46/569227446.db2.gz ZEPZIXAPDGWRED-WMZHIEFXSA-N 1 0 433.531 4.041 40 0 IIABRO Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000019700400 569231146 /nfs/dbraw/zinc/23/11/46/569231146.db2.gz VCIGEIFGWDHZOG-UHFFFAOYSA-N 1 0 430.596 4.309 40 0 IIABRO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](c3cc(COc4ccccc4F)[nH]n3)C1)CO2 ZINC000019704673 569233557 /nfs/dbraw/zinc/23/35/57/569233557.db2.gz RGHSTAWBIOUUPD-GOSISDBHSA-N 1 0 435.499 4.402 40 0 IIABRO Cc1nc([C@@]2(O)CCC[N@H+](Cc3ccncc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704896 569233601 /nfs/dbraw/zinc/23/36/01/569233601.db2.gz PQQRYASNSKCZRR-XMMPIXPASA-N 1 0 441.572 4.481 40 0 IIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cnc(N4CCCCC4)nc3)cc2)C1 ZINC000019711831 569235087 /nfs/dbraw/zinc/23/50/87/569235087.db2.gz NYXARPILPMPVLT-PKTZIBPZSA-N 1 0 437.588 4.281 40 0 IIABRO CC(C)N(C(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1)C1CCCCC1 ZINC000019713237 569235402 /nfs/dbraw/zinc/23/54/02/569235402.db2.gz OJGAOANYUHZOJV-DNQXCXABSA-N 1 0 425.617 4.212 40 0 IIABRO COc1ccc2c(c1)c(C[N@@H+]1CCC[C@H](c3ncc(C(=O)N(C)C)c(C)n3)C1)cn2C(C)C ZINC000019763638 569237997 /nfs/dbraw/zinc/23/79/97/569237997.db2.gz INCOZJKEUBQREW-IBGZPJMESA-N 1 0 449.599 4.411 40 0 IIABRO COc1ccc(NC(=O)c2cnc(C3CC[NH+](Cc4ccccc4OC)CC3)nc2C)cc1 ZINC000019763782 569238246 /nfs/dbraw/zinc/23/82/46/569238246.db2.gz ZHPMJGMFRIZITI-UHFFFAOYSA-N 1 0 446.551 4.434 40 0 IIABRO COc1ccc(OC)c(C[NH+]2CCC(c3ncc(C(=O)Nc4ccccc4)c(C)n3)CC2)c1 ZINC000019764161 569238366 /nfs/dbraw/zinc/23/83/66/569238366.db2.gz PYMJMTBWRHWZBE-UHFFFAOYSA-N 1 0 446.551 4.434 40 0 IIABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857023 569249227 /nfs/dbraw/zinc/24/92/27/569249227.db2.gz CGOIFLLEEJIAPY-MBSDFSHPSA-N 1 0 428.598 4.203 40 0 IIABRO Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3N3CC[NH+](C)CC3)o2)cc1C ZINC000108929226 569253185 /nfs/dbraw/zinc/25/31/85/569253185.db2.gz GBWKRMNZIJJXLA-UHFFFAOYSA-N 1 0 448.592 4.442 40 0 IIABRO COc1ccc(OC)c(C[NH+]2CCC(c3nc(-c4ccccc4)c(C(=O)N(C)C)[nH]3)CC2)c1 ZINC000019698819 569326876 /nfs/dbraw/zinc/32/68/76/569326876.db2.gz FVSMRIUXRXONFE-UHFFFAOYSA-N 1 0 448.567 4.175 40 0 IIABRO COc1ccc(C[NH+]2CCC(Cc3ccc(-c4cccnc4)cc3)(C(N)=O)CC2)cc1OC ZINC000019700127 569327025 /nfs/dbraw/zinc/32/70/25/569327025.db2.gz XDCHOJVWPFBOQH-UHFFFAOYSA-N 1 0 445.563 4.076 40 0 IIABRO COc1ccccc1CNC(=O)c1cncnc1CC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019756807 569328602 /nfs/dbraw/zinc/32/86/02/569328602.db2.gz KWJNTIYXRGNVHZ-UHFFFAOYSA-N 1 0 448.542 4.009 40 0 IIABRO CCC(CC)C(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 ZINC000015672630 291381045 /nfs/dbraw/zinc/38/10/45/291381045.db2.gz RFMCULBPMVFAAA-QTJGBDASSA-N 1 0 449.643 4.248 40 0 biogenic,in-vitro IIABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223217711 193953318 /nfs/dbraw/zinc/95/33/18/193953318.db2.gz VRGZSOXOLKYZSR-FCHUYYIVSA-N 1 0 440.016 4.450 40 0 IIABRO Cn1c2ccccc2c2c1C(=O)N(CCC[NH+]1CCN(c3cccc(Cl)c3)CC1)CC2 ZINC000001623024 132246165 /nfs/dbraw/zinc/24/61/65/132246165.db2.gz ZRYZUZQDKWTLMK-UHFFFAOYSA-N 1 0 436.987 4.042 40 0 IIABRO CCOc1cc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc(OCC)c1OCC ZINC000010000572 132333601 /nfs/dbraw/zinc/33/36/01/132333601.db2.gz QRLQOLXHBZMRAD-UHFFFAOYSA-N 1 0 441.572 4.277 40 0 IIABRO C/C=C\C(/C=C\C)(C(=O)O[C@@H](C)C[NH+](C)C)C(/C=C\C)(/C=C\C)C(=O)O[C@@H](C)C[NH+](C)C ZINC000017302539 518556968 /nfs/dbraw/zinc/55/69/68/518556968.db2.gz UMCICMBMDVDMOJ-YMQHZFADSA-N 1 0 448.648 4.250 40 0 IIABRO CCOc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000022075555 520713991 /nfs/dbraw/zinc/71/39/91/520713991.db2.gz ZKNCYWZFXMATFZ-UHFFFAOYSA-N 1 0 425.342 4.217 40 0 IIABRO C[NH+](C)CCCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000328986925 524055592 /nfs/dbraw/zinc/05/55/92/524055592.db2.gz HZBXDLVWDQPXRZ-UHFFFAOYSA-N 1 0 439.429 4.058 40 0 IIABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(CC(=O)Nc4cnn(C)c4C)C3)c2)cc1 ZINC000072352031 524714277 /nfs/dbraw/zinc/71/42/77/524714277.db2.gz CZQNRCQFHMGXCI-IBGZPJMESA-N 1 0 448.571 4.002 40 0 IIABRO S=C(Nc1ccc2c(c1)OCCO2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000035074035 526385627 /nfs/dbraw/zinc/38/56/27/526385627.db2.gz ROXRXPHYGPLRPK-XNSSQMBPSA-N 1 0 425.598 4.050 40 0 IIABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039753525 556438973 /nfs/dbraw/zinc/43/89/73/556438973.db2.gz IVUOUOJJNFMJFP-UHFFFAOYSA-N 1 0 449.576 4.338 40 0 IIABRO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000039755774 556439442 /nfs/dbraw/zinc/43/94/42/556439442.db2.gz HVQABHPEGYNTKN-UHFFFAOYSA-N 1 0 449.492 4.405 40 0 IIABRO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCCCCC2)ccc1C ZINC000013668569 556548959 /nfs/dbraw/zinc/54/89/59/556548959.db2.gz QHFTZRLEPBKRAR-UHFFFAOYSA-N 1 0 443.613 4.100 40 0 IIABRO C[NH2+]CCCNCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000016189378 556588452 /nfs/dbraw/zinc/58/84/52/556588452.db2.gz AGSSVGKHJFHBPW-UHFFFAOYSA-N 1 0 427.770 4.389 40 0 IIABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857020 556672841 /nfs/dbraw/zinc/67/28/41/556672841.db2.gz IHVMDGUGBFYKRG-HSZRJFAPSA-N 1 0 428.598 4.347 40 0 IIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cccc(OCc3cccnc3)c2)CC1 ZINC000019021130 556693566 /nfs/dbraw/zinc/69/35/66/556693566.db2.gz GEAHNBPCJUPVDP-UHFFFAOYSA-N 1 0 433.527 4.427 40 0 IIABRO COc1cccc([C@@H]2CN(C(=O)C[NH+]3CCC(C(C)(C)C)CC3)C[C@H]2c2csnn2)c1 ZINC000019082367 556697390 /nfs/dbraw/zinc/69/73/90/556697390.db2.gz FEOKAZRHJPDSPS-LEWJYISDSA-N 1 0 442.629 4.014 40 0 IIABRO COc1cccc(-c2cccc(CC3(C(=O)NCC(C)(C)C[NH+](C)C)CCOCC3)c2)c1 ZINC000257211181 556702200 /nfs/dbraw/zinc/70/22/00/556702200.db2.gz BXUCQLJTTUBHMN-UHFFFAOYSA-N 1 0 438.612 4.406 40 0 IIABRO CN(CC(=O)N1[C@@H]2CCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000257322012 556704117 /nfs/dbraw/zinc/70/41/17/556704117.db2.gz WEGXJPHUBVIFIM-WOKGGPCBSA-N 1 0 435.587 4.000 40 0 IIABRO CO[C@]1(COc2ccccc2F)CCC[N@H+](CC(=O)NC(C)(C)Cc2ccccc2)CC1 ZINC000257324551 556704841 /nfs/dbraw/zinc/70/48/41/556704841.db2.gz WPFNMLLVLPJYEA-AREMUKBSSA-N 1 0 442.575 4.213 40 0 IIABRO COCCOc1cc(C[N@@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000257334229 556705914 /nfs/dbraw/zinc/70/59/14/556705914.db2.gz YFCFGRAOKFXGMQ-AREMUKBSSA-N 1 0 443.584 4.479 40 0 IIABRO COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCC(C)(C)C[NH+](C)C)CCCO2)cc1 ZINC000257260858 556712346 /nfs/dbraw/zinc/71/23/46/556712346.db2.gz LETFYPFJKGSUJG-AREMUKBSSA-N 1 0 442.575 4.297 40 0 IIABRO CN([C@@H]1CCC[N@H+](Cc2ccccc2N2CCCC2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000257269493 556713703 /nfs/dbraw/zinc/71/37/03/556713703.db2.gz MQGCILQSFDXSMP-XMMPIXPASA-N 1 0 441.641 4.103 40 0 IIABRO CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCC[N@H+](CCCC(=O)c3ccc(F)cc3)C2)C1 ZINC000019219470 556713739 /nfs/dbraw/zinc/71/37/39/556713739.db2.gz GCDMZJNFMVQIJJ-AREMUKBSSA-N 1 0 438.543 4.373 40 0 IIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCO2 ZINC000019376352 556752152 /nfs/dbraw/zinc/75/21/52/556752152.db2.gz HMHJSCHUAWZGCF-DNQXCXABSA-N 1 0 431.532 4.159 40 0 IIABRO O=C(CN(c1nc(C2CC[NH2+]CC2)c2ccccn21)c1cccc(F)c1)NC1CCCC1 ZINC000019399759 556752617 /nfs/dbraw/zinc/75/26/17/556752617.db2.gz RFMXCGYPLDFUQN-UHFFFAOYSA-N 1 0 435.547 4.137 40 0 IIABRO CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3csc4c3CCCC4)[nH]c2=O)C1 ZINC000019448373 556757845 /nfs/dbraw/zinc/75/78/45/556757845.db2.gz QLGGDAOKNFAGQM-FQEVSTJZSA-N 1 0 440.613 4.256 40 0 IIABRO CCC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000019499317 556771191 /nfs/dbraw/zinc/77/11/91/556771191.db2.gz NOVXMTZAJTXZRK-GOTSBHOMSA-N 1 0 438.568 4.036 40 0 IIABRO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000001380590 556796544 /nfs/dbraw/zinc/79/65/44/556796544.db2.gz HRVSQAIATVFOPC-UHFFFAOYSA-N 1 0 431.462 4.343 40 0 IIABRO CCn1ccnc1C[N@@H+]1CCC[C@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 ZINC000019578069 556815762 /nfs/dbraw/zinc/81/57/62/556815762.db2.gz IXFCMCXOVZQYIQ-HHHXNRCGSA-N 1 0 445.611 4.315 40 0 IIABRO COc1ccccc1C[N@@H+]1CC[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 ZINC000019580410 556818486 /nfs/dbraw/zinc/81/84/86/556818486.db2.gz YDNMXWDLLZTSNN-HHHXNRCGSA-N 1 0 429.564 4.280 40 0 IIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1OC ZINC000019584430 556821790 /nfs/dbraw/zinc/82/17/90/556821790.db2.gz NMHYYQFUVHYOJC-HXUWFJFHSA-N 1 0 433.556 4.001 40 0 IIABRO COc1ccc(C[NH+]2CCC(c3cc(N(C)C)nc(-c4ccncc4)n3)CC2)cc1OC ZINC000019584610 556822178 /nfs/dbraw/zinc/82/21/78/556822178.db2.gz SUMQNFFWFFUQNM-UHFFFAOYSA-N 1 0 433.556 4.001 40 0 IIABRO COCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000019592997 556829222 /nfs/dbraw/zinc/82/92/22/556829222.db2.gz DOBTWHIAGIMREV-IGKIAQTJSA-N 1 0 429.564 4.465 40 0 IIABRO Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)N[C@@H](C)c3ccccc3)cc2c1 ZINC000006300346 556831839 /nfs/dbraw/zinc/83/18/39/556831839.db2.gz YEQJPNHSPDVVHG-IBGZPJMESA-N 1 0 436.625 4.144 40 0 IIABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1C ZINC000006410185 556835395 /nfs/dbraw/zinc/83/53/95/556835395.db2.gz DCUMYGIJFOJLTA-LJQANCHMSA-N 1 0 436.625 4.144 40 0 IIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1OC ZINC000008582816 556842384 /nfs/dbraw/zinc/84/23/84/556842384.db2.gz ROJUKTZSZZWFME-OAQYLSRUSA-N 1 0 448.567 4.364 40 0 IIABRO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@@H+]3Cc3c[nH]nc3C(C)(C)C)c2)cn1 ZINC000019690846 556846853 /nfs/dbraw/zinc/84/68/53/556846853.db2.gz INRXHOKOYAWQKG-JOCHJYFZSA-N 1 0 432.572 4.169 40 0 IIABRO CN(C)c1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)CC2CCCCC2)n1 ZINC000019701019 556860997 /nfs/dbraw/zinc/86/09/97/556860997.db2.gz XTJAEXFOJRUAPN-IBGZPJMESA-N 1 0 439.579 4.214 40 0 IIABRO Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CC[NH+](Cc5cccnc5)CC4)nc32)cc1 ZINC000019703734 556862191 /nfs/dbraw/zinc/86/21/91/556862191.db2.gz RLHOYGHLKOFOTI-UHFFFAOYSA-N 1 0 441.579 4.347 40 0 IIABRO CCCN1C(=O)CCc2c(C)nc(C3CC[NH+](Cc4c[nH]nc4-c4ccccc4)CC3)nc21 ZINC000019739351 556877558 /nfs/dbraw/zinc/87/75/58/556877558.db2.gz ZOVMXKVZSIWWPV-UHFFFAOYSA-N 1 0 444.583 4.244 40 0 IIABRO COc1cccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@@H+](C5CCCC5)C4)nc32)c1 ZINC000019741448 556883605 /nfs/dbraw/zinc/88/36/05/556883605.db2.gz GRROJTYLIPJRPO-FQEVSTJZSA-N 1 0 434.584 4.395 40 0 IIABRO CCOc1ccc(C[NH+]2CCC(Cc3ncncc3C(=O)Nc3nccs3)CC2)cc1 ZINC000019757000 556901203 /nfs/dbraw/zinc/90/12/03/556901203.db2.gz SWHPLXBKYZSORC-UHFFFAOYSA-N 1 0 437.569 4.039 40 0 IIABRO Cc1ncc(C(=O)N2CCCC2)c(CC2CC[NH+](Cc3cccc4ncccc34)CC2)n1 ZINC000019757162 556901434 /nfs/dbraw/zinc/90/14/34/556901434.db2.gz KQLPWNHYMRAZNI-UHFFFAOYSA-N 1 0 429.568 4.024 40 0 IIABRO Cc1nccc(-c2ccc(-c3noc(C[NH2+]CCc4c[nH]c5ccc(F)cc45)n3)cc2)n1 ZINC000072339987 556912035 /nfs/dbraw/zinc/91/20/35/556912035.db2.gz SURUEULHHJHHMC-UHFFFAOYSA-N 1 0 428.471 4.455 40 0 IIABRO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC000072352271 556923713 /nfs/dbraw/zinc/92/37/13/556923713.db2.gz ULQNNMLZFPAGRZ-SFHVURJKSA-N 1 0 427.614 4.231 40 0 IIABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C1)CCC2 ZINC000072353691 556927623 /nfs/dbraw/zinc/92/76/23/556927623.db2.gz USIIPZNSQVPSOC-HXUWFJFHSA-N 1 0 429.568 4.306 40 0 IIABRO CC(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000409052963 556930998 /nfs/dbraw/zinc/93/09/98/556930998.db2.gz FRIUJCARQMGPMM-OCZZZQCFSA-O 1 0 446.958 4.480 40 0 IIABRO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cn(C(C)=O)c3ccccc23)C1 ZINC000072361014 556933217 /nfs/dbraw/zinc/93/32/17/556933217.db2.gz WKBSYPSINQRZSJ-INIZCTEOSA-N 1 0 432.549 4.260 40 0 IIABRO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@@H+]1Cc1cnc(C)s1 ZINC000072370326 556934514 /nfs/dbraw/zinc/93/45/14/556934514.db2.gz WNWBXZSFILFXRZ-INIZCTEOSA-N 1 0 429.611 4.250 40 0 IIABRO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072370528 556935305 /nfs/dbraw/zinc/93/53/05/556935305.db2.gz WKOHPQSMEOTQMU-LJQANCHMSA-N 1 0 426.557 4.360 40 0 IIABRO CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000072370704 556935858 /nfs/dbraw/zinc/93/58/58/556935858.db2.gz MIIFTRUJUPTFAB-LJQANCHMSA-N 1 0 441.641 4.403 40 0 IIABRO CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NC1CC[NH+](C)CC1 ZINC000072370789 556936556 /nfs/dbraw/zinc/93/65/56/556936556.db2.gz XTAPYDBXXLOBNE-LJQANCHMSA-N 1 0 427.614 4.059 40 0 IIABRO Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 ZINC000409061075 556936838 /nfs/dbraw/zinc/93/68/38/556936838.db2.gz UUWIDWSTPXKYMO-LTGPUSHMSA-O 1 0 444.530 4.274 40 0 IIABRO Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 ZINC000409061077 556937604 /nfs/dbraw/zinc/93/76/04/556937604.db2.gz UUWIDWSTPXKYMO-SHWDWQDGSA-O 1 0 444.530 4.274 40 0 IIABRO Cc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 ZINC000409054779 556938558 /nfs/dbraw/zinc/93/85/58/556938558.db2.gz BOPKGICGDZYXAE-SCXNTYLCSA-O 1 0 440.567 4.443 40 0 IIABRO Cc1nn(C)cc1C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371469 556938880 /nfs/dbraw/zinc/93/88/80/556938880.db2.gz LYVCCSCZJDKELJ-INIZCTEOSA-N 1 0 433.478 4.081 40 0 IIABRO CCc1nccn1CCC(=O)N1CCC[C@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000072374953 556949838 /nfs/dbraw/zinc/94/98/38/556949838.db2.gz ANZPKEMTABBXLV-FQEVSTJZSA-N 1 0 432.572 4.392 40 0 IIABRO Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3ccc4c(c3)n(C)c(=O)n4C)n2)s1 ZINC000072375657 556952108 /nfs/dbraw/zinc/95/21/08/556952108.db2.gz KRNCKTUZQLKVNZ-SFHVURJKSA-N 1 0 434.569 4.118 40 0 IIABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@H+](Cc2cncn2CC)C1 ZINC000072394016 556965330 /nfs/dbraw/zinc/96/53/30/556965330.db2.gz APNIDZWYGAOMEV-DEOSSOPVSA-N 1 0 440.519 4.085 40 0 IIABRO C=Cn1cc(C[N@H+]2CCC[C@](Cc3cc(-c4ccccc4)no3)(C(=O)OCC)C2)c(C)n1 ZINC000072394091 556965651 /nfs/dbraw/zinc/96/56/51/556965651.db2.gz YBXWKLFYZNDULE-RUZDIDTESA-N 1 0 434.540 4.335 40 0 IIABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398584 556970334 /nfs/dbraw/zinc/97/03/34/556970334.db2.gz NHCVPLXYQUOXQQ-JPYJTQIMSA-N 1 0 425.573 4.214 40 0 IIABRO O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12)c1cccc(F)c1 ZINC000585110096 557042482 /nfs/dbraw/zinc/04/24/82/557042482.db2.gz INELSHITHAPPNF-DNQXCXABSA-N 1 0 443.522 4.249 40 0 IIABRO O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12)c1cccc(F)c1 ZINC000585110098 557042530 /nfs/dbraw/zinc/04/25/30/557042530.db2.gz INELSHITHAPPNF-ZEQRLZLVSA-N 1 0 443.522 4.249 40 0 IIABRO COc1ccc(S[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1OC ZINC000216244274 557141015 /nfs/dbraw/zinc/14/10/15/557141015.db2.gz MCESNMHXGBUMHU-QPGLYAHGSA-N 1 0 426.582 4.042 40 0 IIABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000024389833 557146120 /nfs/dbraw/zinc/14/61/20/557146120.db2.gz DMPOOMMOOIARKA-UHFFFAOYSA-N 1 0 449.576 4.013 40 0 IIABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000006288019 557150705 /nfs/dbraw/zinc/15/07/05/557150705.db2.gz IORZASZITXYMAT-UHFFFAOYSA-N 1 0 430.577 4.232 40 0 IIABRO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1ccc(C)s1)CCC2 ZINC000096056080 557166923 /nfs/dbraw/zinc/16/69/23/557166923.db2.gz IRMBVABSDVSZPX-RDPSFJRHSA-N 1 0 427.614 4.037 40 0 IIABRO Cc1nccn1CCCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585271512 557213259 /nfs/dbraw/zinc/21/32/59/557213259.db2.gz AILSDGDDCFMRTN-SANMLTNESA-N 1 0 435.568 4.067 40 0 IIABRO OC1(COc2ccc(C[NH+]3CCC(O)(COc4ccccc4F)CC3)cc2)CCCCC1 ZINC000585272072 557216605 /nfs/dbraw/zinc/21/66/05/557216605.db2.gz ITYHUVVRSLFXOK-UHFFFAOYSA-N 1 0 443.559 4.306 40 0 IIABRO CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000219426497 557244953 /nfs/dbraw/zinc/24/49/53/557244953.db2.gz ANITYYHAKJPLBX-UHFFFAOYSA-N 1 0 442.922 4.400 40 0 IIABRO COc1cccc(OC)c1C[N@@H+]1CCC[C@H]([C@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000057774053 557263776 /nfs/dbraw/zinc/26/37/76/557263776.db2.gz RRNLSRWDBCCRJH-DFBJGRDBSA-N 1 0 425.573 4.214 40 0 IIABRO Clc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000022929131 557277556 /nfs/dbraw/zinc/27/75/56/557277556.db2.gz LCOUTTHPRKRXBV-HSZRJFAPSA-N 1 0 436.991 4.024 40 0 IIABRO CC(=O)N[C@@H](CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)c1cccs1 ZINC000048375031 557367109 /nfs/dbraw/zinc/36/71/09/557367109.db2.gz VMSBKEVHWJULOK-SPEDKVCISA-N 1 0 427.614 4.110 40 0 IIABRO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000223750252 557509112 /nfs/dbraw/zinc/50/91/12/557509112.db2.gz VHRRPJIIZXKYCZ-GOTSBHOMSA-N 1 0 427.533 4.453 40 0 IIABRO Clc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020121792 557515437 /nfs/dbraw/zinc/51/54/37/557515437.db2.gz VLJWQVKTUARHQT-QFIPXVFZSA-N 1 0 429.012 4.481 40 0 IIABRO Cn1c2ccc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)cc2sc1=O ZINC000225021852 557678842 /nfs/dbraw/zinc/67/88/42/557678842.db2.gz LDXZLKULQMJPLS-UHFFFAOYSA-N 1 0 429.545 4.411 40 0 IIABRO COc1cc(C[NH+]2CCC(NC(=S)Nc3ccc(C)cc3C)CC2)cc(OC)c1OC ZINC000225227295 557702576 /nfs/dbraw/zinc/70/25/76/557702576.db2.gz ZUISKEAVWXUXDD-UHFFFAOYSA-N 1 0 443.613 4.280 40 0 IIABRO CCOc1cc2c(cc1C[NH+]1CCC(c3cncc(Nc4ncccn4)n3)CC1)O[C@H](C)C2 ZINC000257212444 568671018 /nfs/dbraw/zinc/67/10/18/568671018.db2.gz CDKWJHNKCGXHSY-QGZVFWFLSA-N 1 0 446.555 4.112 40 0 IIABRO CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000257218803 568673759 /nfs/dbraw/zinc/67/37/59/568673759.db2.gz DELXYSZHLKTBIM-UHFFFAOYSA-N 1 0 436.625 4.498 40 0 IIABRO COCCCN1C(=O)C[C@H](c2ccc(Cl)cc2)[C@@H]2[C@H]1CCC[C@@H]2[NH2+]Cc1cccnc1 ZINC000257238510 568683248 /nfs/dbraw/zinc/68/32/48/568683248.db2.gz HLIIJJSCAQAKPC-QENXHYHDSA-N 1 0 442.003 4.415 40 0 IIABRO Cc1ccc(C2(C[NH+]3CCC(n4cc(C(=O)N(C)C)ccc4=O)CC3)CCCCC2)cc1 ZINC000257245848 568686474 /nfs/dbraw/zinc/68/64/74/568686474.db2.gz IRHPAQABINQPQA-UHFFFAOYSA-N 1 0 435.612 4.398 40 0 IIABRO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)c2)n1 ZINC000257263265 568694727 /nfs/dbraw/zinc/69/47/27/568694727.db2.gz LPBDVPATQLOVFD-MRXNPFEDSA-N 1 0 447.586 4.072 40 0 IIABRO CC(C)Oc1ccc([C@@H]2CN(C(=O)c3cccc(Oc4ncccn4)c3)CCN2C)cc1 ZINC000257263894 568694874 /nfs/dbraw/zinc/69/48/74/568694874.db2.gz LRWZNGCDACTGHG-QHCPKHFHSA-N 1 0 432.524 4.185 40 0 IIABRO COCC(=O)N1CCC2(C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]2c2ccccc2)CC1 ZINC000257286562 568705151 /nfs/dbraw/zinc/70/51/51/568705151.db2.gz PMAGMKVUCKSPAF-HXUWFJFHSA-N 1 0 430.951 4.334 40 0 IIABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3)C2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000257288629 568706250 /nfs/dbraw/zinc/70/62/50/568706250.db2.gz PVALFIPKNHTEFL-HSZRJFAPSA-N 1 0 426.564 4.296 40 0 IIABRO CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(Nc4ccc(C)cc4)cc(C)[nH+]3)C2)CC1 ZINC000257310261 568715727 /nfs/dbraw/zinc/71/57/27/568715727.db2.gz UEKGJVCNSYBRIQ-QFIPXVFZSA-N 1 0 434.584 4.407 40 0 IIABRO Cc1nc(N(C)C)cc([C@]2(C)CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000257317270 568718978 /nfs/dbraw/zinc/71/89/78/568718978.db2.gz VJBZBJSQRGPLPF-AREMUKBSSA-N 1 0 431.584 4.379 40 0 IIABRO Cc1cc(CCCC(=O)N2CCO[C@@H](c3cccc(-c4ccc(N)nc4)n3)C2)ccc1F ZINC000257318297 568719187 /nfs/dbraw/zinc/71/91/87/568719187.db2.gz VNGVGRJWECFNFL-HSZRJFAPSA-N 1 0 434.515 4.096 40 0 IIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257331479 568725185 /nfs/dbraw/zinc/72/51/85/568725185.db2.gz XTAUYLUZOXTTQB-HXUWFJFHSA-N 1 0 433.531 4.188 40 0 IIABRO O=C(CC1CCCC1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CC[NH+]1CCCC1 ZINC000306125603 568763973 /nfs/dbraw/zinc/76/39/73/568763973.db2.gz CVIBGBKANDTFAZ-UHFFFAOYSA-N 1 0 448.611 4.436 40 0 IIABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306129075 568765342 /nfs/dbraw/zinc/76/53/42/568765342.db2.gz HTWUOOZYSMRVNT-QPPBQGQZSA-N 1 0 426.992 4.346 40 0 IIABRO O=C(C1CCCCC1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CC[NH+]1CCCC1 ZINC000306131098 568766331 /nfs/dbraw/zinc/76/63/31/568766331.db2.gz JWPIGSKIBLERLT-UHFFFAOYSA-N 1 0 448.611 4.436 40 0 IIABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccccc3F)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306137211 568769951 /nfs/dbraw/zinc/76/99/51/568769951.db2.gz QPBNBSHKQYKWLS-ATIYNZHBSA-N 1 0 447.558 4.016 40 0 IIABRO Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1 ZINC000329052613 568810556 /nfs/dbraw/zinc/81/05/56/568810556.db2.gz VCXAXMCHIXZBFE-UHFFFAOYSA-N 1 0 429.490 4.422 40 0 IIABRO COc1ccccc1-c1n[nH]cc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198985 568921656 /nfs/dbraw/zinc/92/16/56/568921656.db2.gz NYFNOLMYHKOVBN-DKYNXLSCSA-N 1 0 432.568 4.121 40 0 IIABRO COCCn1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@H]43)cc21 ZINC000257199154 568921966 /nfs/dbraw/zinc/92/19/66/568921966.db2.gz UZKDOMKTZBWBIB-UHCVVMIDSA-N 1 0 433.596 4.323 40 0 IIABRO CC(=O)NCCn1nc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3Cl)C2)c2cccnc21 ZINC000012219520 569224952 /nfs/dbraw/zinc/22/49/52/569224952.db2.gz LZABBTJKHPFIIK-QGZVFWFLSA-N 1 0 446.382 4.254 40 0 IIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000019133398 569226117 /nfs/dbraw/zinc/22/61/17/569226117.db2.gz UIALLSRHFRDELP-XMSQKQJNSA-N 1 0 436.581 4.238 40 0 IIABRO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000019701948 569231590 /nfs/dbraw/zinc/23/15/90/569231590.db2.gz UVUZAMFTSJVITJ-MRXNPFEDSA-N 1 0 429.973 4.315 40 0 IIABRO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000019701949 569231667 /nfs/dbraw/zinc/23/16/67/569231667.db2.gz UVUZAMFTSJVITJ-INIZCTEOSA-N 1 0 429.973 4.315 40 0 IIABRO CCOc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)CCC2 ZINC000019762958 569237741 /nfs/dbraw/zinc/23/77/41/569237741.db2.gz WZUWHTPDYADDMW-QFIPXVFZSA-N 1 0 448.611 4.288 40 0 IIABRO Cc1nc(C2CC[NH+](Cc3cccnc3N(C)C)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019763947 569238254 /nfs/dbraw/zinc/23/82/54/569238254.db2.gz YQXDLMOXGQGOFE-UHFFFAOYSA-N 1 0 448.546 4.017 40 0 IIABRO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@@H+]3C[C@H]4C[C@@H]3CC(C)(C)C4)c21 ZINC000009233205 569294675 /nfs/dbraw/zinc/29/46/75/569294675.db2.gz RWCMATOEQGUTIZ-DLBZAZTESA-N 1 0 441.572 4.121 40 0 IIABRO CN(CCO)C(=O)c1cc([C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)nc2ccccc21 ZINC000019761721 569328669 /nfs/dbraw/zinc/32/86/69/569328669.db2.gz ZPVYLGKBVWAAKS-KRWDZBQOSA-N 1 0 441.934 4.081 40 0 IIABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)cc1 ZINC000019763528 569328917 /nfs/dbraw/zinc/32/89/17/569328917.db2.gz ZCVBELBVRILQTI-QHCPKHFHSA-N 1 0 444.579 4.493 40 0 IIABRO O=S(=O)(NC[C@@H]([NH2+]CCOc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000059121227 569459212 /nfs/dbraw/zinc/45/92/12/569459212.db2.gz WHZMKPBLYZUEBD-JOCHJYFZSA-N 1 0 430.957 4.028 40 0 IIABRO