smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000004784435 557597701 /nfs/dbraw/zinc/59/77/01/557597701.db2.gz QUSFCZKTKIMQAB-IBGZPJMESA-N 2 0 401.507 3.021 50 0 HGAARP Cc1cccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000012024667 558309940 /nfs/dbraw/zinc/30/99/40/558309940.db2.gz ZRBUJLNHOOMJKX-FQEVSTJZSA-N 2 0 412.553 3.445 50 0 HGAARP COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012076218 558319861 /nfs/dbraw/zinc/31/98/61/558319861.db2.gz NVSDCLGIZUGBBW-OAQYLSRUSA-N 2 0 416.587 3.082 50 0 HGAARP Nc1ncc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000020235764 558350791 /nfs/dbraw/zinc/35/07/91/558350791.db2.gz KTQCMTSBZHKDOD-FQEVSTJZSA-N 2 0 400.615 3.001 50 0 HGAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccn2-c2ccccn2)CC1 ZINC000012320813 558382474 /nfs/dbraw/zinc/38/24/74/558382474.db2.gz PMGALUIDRCRBQE-JOCHJYFZSA-N 2 0 423.605 3.465 50 0 HGAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cccc(C)n2)C1 ZINC000012717103 558455645 /nfs/dbraw/zinc/45/56/45/558455645.db2.gz LAQDHARXTNQCBS-NRFANRHFSA-N 2 0 424.589 3.315 50 0 HGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]CCc2ccc(C)cc2)ccc1OC ZINC000015061974 558705015 /nfs/dbraw/zinc/70/50/15/558705015.db2.gz ULDORVGNVNRULK-QFIPXVFZSA-N 2 0 400.563 3.417 50 0 HGAARP CCC(=O)N[C@@H]1CCC[NH+](CCCCCCCC[N@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000072309140 558772277 /nfs/dbraw/zinc/77/22/77/558772277.db2.gz HIYWXYLCDYSCNM-SZPZYZBQSA-N 2 0 422.658 3.308 50 0 HGAARP CCC(CC)[C@@H](CNC(=O)NCc1ccc(C[NH+](CC)CC)cc1)[NH+]1CCOCC1 ZINC000058175482 558909466 /nfs/dbraw/zinc/90/94/66/558909466.db2.gz XHQKGUSRVDUFFO-HSZRJFAPSA-N 2 0 418.626 3.465 50 0 HGAARP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000060377484 558942554 /nfs/dbraw/zinc/94/25/54/558942554.db2.gz BFMPROPBLIXKCV-KRWDZBQOSA-N 2 0 421.545 3.027 50 0 HGAARP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)COCc1ccccc1F ZINC000097141090 558997304 /nfs/dbraw/zinc/99/73/04/558997304.db2.gz PFUQRTJZTMYNFS-KNKQGSTJSA-N 2 0 400.538 3.449 50 0 HGAARP CCn1cc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)c(C)n1 ZINC000095504599 559082995 /nfs/dbraw/zinc/08/29/95/559082995.db2.gz FTGAAAJDSGAANJ-UHFFFAOYSA-N 2 0 424.637 3.415 50 0 HGAARP Cc1[nH]ccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000095523162 559085585 /nfs/dbraw/zinc/08/55/85/559085585.db2.gz WSAFDODFUAIMJU-LJQANCHMSA-N 2 0 400.542 3.378 50 0 HGAARP O[C@@H](COc1cccc(C[NH2+]Cc2cccnc2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000011937825 559268812 /nfs/dbraw/zinc/26/88/12/559268812.db2.gz HHVOYGQPYSNDEE-XMMPIXPASA-N 2 0 403.526 3.169 50 0 HGAARP COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012091234 560888886 /nfs/dbraw/zinc/88/88/86/560888886.db2.gz ZIYADNQEBZUUSS-NRFANRHFSA-N 2 0 404.526 3.247 50 0 HGAARP CCOCCC[NH2+]Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000012593156 568868368 /nfs/dbraw/zinc/86/83/68/568868368.db2.gz FPSQACYMJCPPKU-NRFANRHFSA-N 2 0 408.583 3.217 50 0 HGAARP C[NH+]1CCC(N2CCN(Cc3ccc(OCc4ccccc4)cc3)C[C@H]2CCO)CC1 ZINC000104533131 569008971 /nfs/dbraw/zinc/00/89/71/569008971.db2.gz ITIBVDKDQXCLAP-RUZDIDTESA-N 2 0 423.601 3.228 50 0 HGAARP O=C(NCc1ccon1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000011878605 558293001 /nfs/dbraw/zinc/29/30/01/558293001.db2.gz BJYNLSXUOMWHPQ-UHFFFAOYSA-N 2 0 410.562 3.100 50 0 HGAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3ccccc3OCCO)CC2)cc1 ZINC000012430559 558405247 /nfs/dbraw/zinc/40/52/47/558405247.db2.gz DHZZOHHBNLFYTL-UHFFFAOYSA-N 2 0 412.574 3.453 50 0 HGAARP Cc1n[nH]c(C)c1CC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012478313 558423059 /nfs/dbraw/zinc/42/30/59/558423059.db2.gz XBXPBXMKECDDQO-QFIPXVFZSA-N 2 0 414.594 3.363 50 0 HGAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CC(F)(F)F ZINC000014981209 558691586 /nfs/dbraw/zinc/69/15/86/558691586.db2.gz OYXGPRHOAMTEQR-MRXNPFEDSA-N 2 0 403.464 3.380 50 0 HGAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]CCOc1cccnc1)C1CCCCC1 ZINC000015072411 558713830 /nfs/dbraw/zinc/71/38/30/558713830.db2.gz RHCXDJYXBHZSNP-QFIPXVFZSA-N 2 0 413.562 3.254 50 0 HGAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000012001998 559270698 /nfs/dbraw/zinc/27/06/98/559270698.db2.gz CZQOAGSNSGKIJA-HSZRJFAPSA-N 2 0 414.594 3.238 50 0 HGAARP COc1cccc([C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c2nccn2C)c1 ZINC000109041232 568420959 /nfs/dbraw/zinc/42/09/59/568420959.db2.gz KUVNYZCDZPGCQN-GHTZIAJQSA-N 2 0 413.566 3.329 50 0 HGAARP C[C@@H](Cc1ccccn1)[NH+]1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012306991 568464563 /nfs/dbraw/zinc/46/45/63/568464563.db2.gz KXBWRXQYZPZZIH-FQEVSTJZSA-N 2 0 424.589 3.190 50 0 HGAARP Cc1oc2cc3c(cc2c1C(=O)OCC[NH+](C)C)oc(C)c3C(=O)OCC[NH+](C)C ZINC000000806681 568487655 /nfs/dbraw/zinc/48/76/55/568487655.db2.gz WXQUZMCQBBNKNQ-UHFFFAOYSA-N 2 0 416.474 3.233 50 0 HGAARP COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015066908 568748981 /nfs/dbraw/zinc/74/89/81/568748981.db2.gz ZLDBTNDEJFZDIH-NRFANRHFSA-N 2 0 404.526 3.247 50 0 HGAARP Cn1nccc1C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012594906 568868791 /nfs/dbraw/zinc/86/87/91/568868791.db2.gz XXGSUCZXDYOJPX-FQEVSTJZSA-N 2 0 401.599 3.003 50 0 HGAARP CC[N@@H+]1CCC[C@H]1CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000299786164 568875659 /nfs/dbraw/zinc/87/56/59/568875659.db2.gz PKOXLRGRQNVLSL-SJORKVTESA-N 2 0 407.942 3.024 50 0 HGAARP CCN(CC[NH+](CC)CC)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000019595219 569424997 /nfs/dbraw/zinc/42/49/97/569424997.db2.gz GKFWUCYJDCVAEB-HSZRJFAPSA-N 2 0 405.627 3.466 50 0 HGAARP CC[N@@H+]1CC[C@H](CN(C)C(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)C1 ZINC000011816883 558280046 /nfs/dbraw/zinc/28/00/46/558280046.db2.gz CEDFXFNEVFRCIT-LJQANCHMSA-N 2 0 417.594 3.361 50 0 HGAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1 ZINC000012076413 558320163 /nfs/dbraw/zinc/32/01/63/558320163.db2.gz DBQRMWDOYJHGMJ-QHCPKHFHSA-N 2 0 412.574 3.343 50 0 HGAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cscn1 ZINC000012441701 558412419 /nfs/dbraw/zinc/41/24/19/558412419.db2.gz DHBAUQQQEMQLKY-KRWDZBQOSA-N 2 0 404.555 3.198 50 0 HGAARP Cc1cc(C)n(CC[NH2+]Cc2ccccc2OC[C@H](O)C[N@@H+](C)C2CCCCC2)n1 ZINC000012836799 558478404 /nfs/dbraw/zinc/47/84/04/558478404.db2.gz DYIWLBTVLYXQQP-HSZRJFAPSA-N 2 0 414.594 3.294 50 0 HGAARP Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cn1 ZINC000015073246 558714156 /nfs/dbraw/zinc/71/41/56/558714156.db2.gz NVBQNHPPQBNHHE-FQEVSTJZSA-N 2 0 412.553 3.445 50 0 HGAARP CCOc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1OC ZINC000004698604 558906811 /nfs/dbraw/zinc/90/68/11/558906811.db2.gz YLZKDRQKQWCSAV-UHFFFAOYSA-N 2 0 405.583 3.010 50 0 HGAARP C[N@@H+]1CCN(CCC[NH2+]Cc2csc(-c3ncccn3)n2)[C@H](c2ccccc2)C1 ZINC000058298877 558917547 /nfs/dbraw/zinc/91/75/47/558917547.db2.gz LBIUZDZNVAJWBL-FQEVSTJZSA-N 2 0 408.575 3.069 50 0 HGAARP C[NH+](C)[C@@H]1CCN(CCCN2CC3(CC[NH+](C4CCCCCC4)CC3)OC2=O)C1 ZINC000072428114 558979225 /nfs/dbraw/zinc/97/92/25/558979225.db2.gz GYNLTHRXMABIDV-OAQYLSRUSA-N 2 0 406.615 3.022 50 0 HGAARP CC[N@@H+]1CCCN(Cc2cccc(OC[C@H](O)C[NH+](C)C3CCCCC3)c2)CC1 ZINC000095512181 559084299 /nfs/dbraw/zinc/08/42/99/559084299.db2.gz IHZGDZQWYPFHOW-HSZRJFAPSA-N 2 0 403.611 3.218 50 0 HGAARP C[NH+](C)CCNC(=O)c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000096133716 559095538 /nfs/dbraw/zinc/09/55/38/559095538.db2.gz MYYHXSOXYOVNHT-UHFFFAOYSA-N 2 0 402.926 3.074 50 0 HGAARP CC[N@@H+]1CCC[C@@H]1CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000299786152 568875503 /nfs/dbraw/zinc/87/55/03/568875503.db2.gz PKOXLRGRQNVLSL-IAGOWNOFSA-N 2 0 407.942 3.024 50 0 HGAARP CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]Cc3ccc(C)cc3)s2)CC1 ZINC000015728195 568979256 /nfs/dbraw/zinc/97/92/56/568979256.db2.gz BDZSPQWNWJTYCH-UHFFFAOYSA-N 2 0 410.591 3.459 50 0 HGAARP Cc1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257279 569208668 /nfs/dbraw/zinc/20/86/68/569208668.db2.gz QFAOHBUZDCNHSG-UHFFFAOYSA-N 2 0 409.578 3.161 50 0 HGAARP C/C(=C\c1ccccc1)C[N@@H+]1CCOc2ccc(CN3CC[NH+](CCO)CC3)cc2C1 ZINC000019739758 569429419 /nfs/dbraw/zinc/42/94/19/569429419.db2.gz YRSVSMUHSKWTDK-OQKWZONESA-N 2 0 421.585 3.094 50 0 HGAARP C[NH+](C)Cc1ccc([C@@H]2CC[C@@H](c3ccc(C[NH+](C)C)[nH]3)N2C(=O)C(F)(F)F)[nH]1 ZINC000002519582 557354237 /nfs/dbraw/zinc/35/42/37/557354237.db2.gz VTXHMPQMXJZLNG-ROUUACIJSA-N 2 0 411.472 3.433 50 0 HGAARP CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cc(C[NH+]4CCCCC4)cs3)CC2)O1 ZINC000011997915 558307487 /nfs/dbraw/zinc/30/74/87/558307487.db2.gz FYORVTCQWZEYKY-FQEVSTJZSA-N 2 0 405.608 3.384 50 0 HGAARP O=C(CCC1CC[NH+](Cc2cccnc2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000015065066 558708135 /nfs/dbraw/zinc/70/81/35/558708135.db2.gz SFYKTZPDFOFJOO-DEOSSOPVSA-N 2 0 406.574 3.465 50 0 HGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]Cc2ccc(F)c(F)c2)ccc1OC ZINC000015070293 558712306 /nfs/dbraw/zinc/71/23/06/558712306.db2.gz WMPZMBPQYNXOHO-GOSISDBHSA-N 2 0 408.489 3.345 50 0 HGAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)Cc2nccs2)C1 ZINC000039557989 558822475 /nfs/dbraw/zinc/82/24/75/558822475.db2.gz NFZUAMXZLWNTRY-IBGZPJMESA-N 2 0 402.608 3.428 50 0 HGAARP C[NH+](C)[C@H]1CCN(CCCN2CC3(CC[NH+](C4CCCCCC4)CC3)OC2=O)C1 ZINC000072428115 558979151 /nfs/dbraw/zinc/97/91/51/558979151.db2.gz GYNLTHRXMABIDV-NRFANRHFSA-N 2 0 406.615 3.022 50 0 HGAARP C[NH+]1CCN(c2ccc(NC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)CC1 ZINC000067622121 558989885 /nfs/dbraw/zinc/98/98/85/558989885.db2.gz HTCOFZDUIZTBKR-UHFFFAOYSA-N 2 0 410.537 3.428 50 0 HGAARP Cn1ccnc1C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095510598 559083730 /nfs/dbraw/zinc/08/37/30/559083730.db2.gz UGPNVTOGBQTYKG-FQEVSTJZSA-N 2 0 401.599 3.003 50 0 HGAARP O[C@@H](COc1cccc(C[NH2+]CCc2cccnc2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000012308018 568464721 /nfs/dbraw/zinc/46/47/21/568464721.db2.gz VBRHNWKGNBLPEP-RUZDIDTESA-N 2 0 417.553 3.212 50 0 HGAARP CC(C)[NH+](CCNC(=O)c1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1)C(C)C ZINC000024926840 568487918 /nfs/dbraw/zinc/48/79/18/568487918.db2.gz DPKDONOZCMFNRY-UHFFFAOYSA-N 2 0 418.626 3.384 50 0 HGAARP COc1cc(CN(C)CCC[NH+](C)C)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000015064651 568748779 /nfs/dbraw/zinc/74/87/79/568748779.db2.gz NXTOGLBAFLNKLQ-JOCHJYFZSA-N 2 0 421.626 3.085 50 0 HGAARP CCN(CC[NH+](CC)CC)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000019595218 569424858 /nfs/dbraw/zinc/42/48/58/569424858.db2.gz GKFWUCYJDCVAEB-QHCPKHFHSA-N 2 0 405.627 3.466 50 0 HGAARP COc1cc(C[NH2+]CC2(N(C)C)CCCCC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000039557675 571133123 /nfs/dbraw/zinc/13/31/23/571133123.db2.gz JRGGWRMSDAYBCY-NRFANRHFSA-N 2 0 421.626 3.129 50 0 HGAARP COc1ccccc1C[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000004598870 557570984 /nfs/dbraw/zinc/57/09/84/557570984.db2.gz ACWSHVZHZFGRKF-UHFFFAOYSA-N 2 0 409.574 3.498 50 0 HGAARP O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](C3Cc4ccccc4C3)CC2)CC1 ZINC000011817138 558280309 /nfs/dbraw/zinc/28/03/09/558280309.db2.gz BMNTYELERDRIFP-UHFFFAOYSA-N 2 0 418.585 3.042 50 0 HGAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]Cc3cccc(Cl)c3)c2)CC1 ZINC000019841615 558294191 /nfs/dbraw/zinc/29/41/91/558294191.db2.gz CNPRHXIYNGDXEA-JOCHJYFZSA-N 2 0 417.981 3.007 50 0 HGAARP CSC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012000021 558308162 /nfs/dbraw/zinc/30/81/62/558308162.db2.gz CYBLSQUNUXPBSX-OAHLLOKOSA-N 2 0 414.015 3.226 50 0 HGAARP COc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2ccc(OCCO)cc2)C1 ZINC000012507416 558424040 /nfs/dbraw/zinc/42/40/40/558424040.db2.gz JNHNCCGROFQABS-JOCHJYFZSA-N 2 0 412.574 3.453 50 0 HGAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccccn2)C1 ZINC000012706514 558449974 /nfs/dbraw/zinc/44/99/74/558449974.db2.gz MOBHYFRFSQPVTG-HXUWFJFHSA-N 2 0 410.562 3.006 50 0 HGAARP COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000012712393 558453379 /nfs/dbraw/zinc/45/33/79/558453379.db2.gz NRDUNUNIHYZFRW-QFIPXVFZSA-N 2 0 420.594 3.094 50 0 HGAARP C[N@H+](Cc1ccc2nonc2c1)Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000014958579 558683154 /nfs/dbraw/zinc/68/31/54/558683154.db2.gz YBYSRDDDEJNUGY-HXUWFJFHSA-N 2 0 410.518 3.080 50 0 HGAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1OC ZINC000014978775 558690433 /nfs/dbraw/zinc/69/04/33/558690433.db2.gz QAOXVGGECFKBOB-OAQYLSRUSA-N 2 0 404.526 3.248 50 0 HGAARP COc1cc(C[NH+]2CCC(OC)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012385905 568673116 /nfs/dbraw/zinc/67/31/16/568673116.db2.gz ZHLLJPBLORXRSR-NRFANRHFSA-N 2 0 420.594 3.312 50 0 HGAARP O=C(NCCC[N@H+]1CCCC[C@@H]1CO)c1ccc(C[NH+]2CCc3ccccc3C2)cc1 ZINC000670450095 568925929 /nfs/dbraw/zinc/92/59/29/568925929.db2.gz QBTCXXSIFLMTGW-RUZDIDTESA-N 2 0 421.585 3.212 50 0 HGAARP Cc1cccc(N2CCC([NH+]3CCC(CCC(=O)NCC[NH+](C)C)CC3)CC2)c1C ZINC000011667878 132349138 /nfs/dbraw/zinc/34/91/38/132349138.db2.gz MSBYCNDDWYWHOU-UHFFFAOYSA-N 2 0 414.638 3.442 50 0 HGAARP CN(CC[NH+]1CCCC1)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000020537798 522827963 /nfs/dbraw/zinc/82/79/63/522827963.db2.gz KWSAZCPPLSWIQR-HSZRJFAPSA-N 2 0 403.611 3.218 50 0 HGAARP C[NH+](C)Cc1ccc([C@H]2CC[C@@H](c3ccc(C[NH+](C)C)[nH]3)N2C(=O)C(F)(F)F)[nH]1 ZINC000006378960 557700462 /nfs/dbraw/zinc/70/04/62/557700462.db2.gz VTXHMPQMXJZLNG-HDICACEKSA-N 2 0 411.472 3.433 50 0 HGAARP COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011763032 558273609 /nfs/dbraw/zinc/27/36/09/558273609.db2.gz LYUHHTWOWFGBMW-FQEVSTJZSA-N 2 0 402.535 3.454 50 0 HGAARP O=C(NCc1ccco1)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011816660 558280140 /nfs/dbraw/zinc/28/01/40/558280140.db2.gz YRHDHHNMVDMXQF-NRFANRHFSA-N 2 0 407.558 3.240 50 0 HGAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCOc2cccnc2)cc1 ZINC000011821114 558284539 /nfs/dbraw/zinc/28/45/39/558284539.db2.gz XKUNAGSZHQOAQL-HSZRJFAPSA-N 2 0 421.541 3.122 50 0 HGAARP COc1ccc(CC[NH2+]Cc2ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c2)cc1 ZINC000012576867 558430893 /nfs/dbraw/zinc/43/08/93/558430893.db2.gz GWFFWHNQFQCVMK-NRFANRHFSA-N 2 0 416.562 3.116 50 0 HGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OC ZINC000012712155 558453383 /nfs/dbraw/zinc/45/33/83/558453383.db2.gz VJGKAKJIWAWNRV-HXUWFJFHSA-N 2 0 402.535 3.075 50 0 HGAARP C[C@@H]1C[N@H+](CCC(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)Cc2ccccc2O1 ZINC000039354752 558820151 /nfs/dbraw/zinc/82/01/51/558820151.db2.gz FGSJMNRARDTAIL-OFNKIYASSA-N 2 0 422.573 3.398 50 0 HGAARP Cc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)no1 ZINC000095499326 559081873 /nfs/dbraw/zinc/08/18/73/559081873.db2.gz AKERWWZCFFKRSJ-SFHVURJKSA-N 2 0 402.514 3.038 50 0 HGAARP Cc1n[nH]cc1C[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000095520892 559085328 /nfs/dbraw/zinc/08/53/28/559085328.db2.gz YKELGZBZZMLRNF-JOCHJYFZSA-N 2 0 400.567 3.354 50 0 HGAARP O[C@H](COc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1)C[NH+]1CCCCC1 ZINC000095524404 559085716 /nfs/dbraw/zinc/08/57/16/559085716.db2.gz DPQTXRVADPEQIG-QFIPXVFZSA-N 2 0 402.579 3.305 50 0 HGAARP C[NH+](C)CCCC1=C([N+](=O)[O-])C=CC([N+](=O)[O-])=C(CCC[NH+](C)C)N1C(F)(F)F ZINC000005258424 560625206 /nfs/dbraw/zinc/62/52/06/560625206.db2.gz FGHXWQNYTHNNBV-UHFFFAOYSA-N 2 0 421.420 3.038 50 0 HGAARP C[NH+](C)Cc1ccc(N2CC[NH+](C3CCC(C(=O)OC(C)(C)C)CC3)CC2)nc1 ZINC000097165311 568769644 /nfs/dbraw/zinc/76/96/44/568769644.db2.gz LKRGSRRBXVOEPI-UHFFFAOYSA-N 2 0 402.583 3.166 50 0 HGAARP O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040050463 571143980 /nfs/dbraw/zinc/14/39/80/571143980.db2.gz POKNJVITGNFJOY-XMMPIXPASA-N 2 0 421.585 3.428 50 0 HGAARP O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000039357948 571314030 /nfs/dbraw/zinc/31/40/30/571314030.db2.gz NVZIGBZILZANQR-CZDPRXMLSA-N 2 0 411.590 3.171 50 0 HGAARP COc1cc(CN(C)CCC[NH+](C)C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011716264 558271785 /nfs/dbraw/zinc/27/17/85/558271785.db2.gz CJNPPHHHSKSXIX-QFIPXVFZSA-N 2 0 421.626 3.083 50 0 HGAARP COc1cc(C[NH2+]CC2CCOCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011878399 558292743 /nfs/dbraw/zinc/29/27/43/558292743.db2.gz JPWPHJSALSOZGT-JOCHJYFZSA-N 2 0 420.594 3.216 50 0 HGAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000011936159 558300293 /nfs/dbraw/zinc/30/02/93/558300293.db2.gz XGVZGZBZICWGMO-FQEVSTJZSA-N 2 0 411.594 3.166 50 0 HGAARP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051604 558314451 /nfs/dbraw/zinc/31/44/51/558314451.db2.gz SJBADFDBHMDNDE-QHCPKHFHSA-N 2 0 412.574 3.453 50 0 HGAARP Nc1ncc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000020235767 558350712 /nfs/dbraw/zinc/35/07/12/558350712.db2.gz KTQCMTSBZHKDOD-HXUWFJFHSA-N 2 0 400.615 3.001 50 0 HGAARP C[NH+](C)CCOc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c1 ZINC000020778074 558412067 /nfs/dbraw/zinc/41/20/67/558412067.db2.gz HUFOKVRYVIAENK-RUZDIDTESA-N 2 0 422.617 3.414 50 0 HGAARP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)CC1 ZINC000020999422 558427859 /nfs/dbraw/zinc/42/78/59/558427859.db2.gz KBZJDHNRJTWBGJ-UNMCSNQZSA-N 2 0 421.029 3.272 50 0 HGAARP O[C@@H](COc1ccccc1C[NH2+]CCCn1ncc2ccccc21)C[NH+]1CCCCC1 ZINC000012753227 558459308 /nfs/dbraw/zinc/45/93/08/558459308.db2.gz KVFUVHFSTOTEJY-HSZRJFAPSA-N 2 0 422.573 3.442 50 0 HGAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(OC)cc2F)CC1 ZINC000015072565 558713843 /nfs/dbraw/zinc/71/38/43/558713843.db2.gz QRYFDILJEQEAEU-HXUWFJFHSA-N 2 0 405.558 3.427 50 0 HGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+](C)Cc2ccncc2C)ccc1OC ZINC000015075933 558716264 /nfs/dbraw/zinc/71/62/64/558716264.db2.gz PQWTWLSDMZUNBA-NRFANRHFSA-N 2 0 401.551 3.112 50 0 HGAARP C[C@H]1CCC[N@@H+]1Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000071712025 558907167 /nfs/dbraw/zinc/90/71/67/558907167.db2.gz OFBQXGIJXWATCH-IBGZPJMESA-N 2 0 409.578 3.409 50 0 HGAARP O=C(NCc1ccno1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082161292 559041738 /nfs/dbraw/zinc/04/17/38/559041738.db2.gz NUGQMXMNXSOXCL-UHFFFAOYSA-N 2 0 410.562 3.100 50 0 HGAARP O=C1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100218638 559132206 /nfs/dbraw/zinc/13/22/06/559132206.db2.gz QUSFCZKTKIMQAB-LJQANCHMSA-N 2 0 401.507 3.021 50 0 HGAARP COc1ccc(C[NH2+]CCc2ccccc2F)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000014970213 568497580 /nfs/dbraw/zinc/49/75/80/568497580.db2.gz YULOVADBZLEYCC-FQEVSTJZSA-N 2 0 404.526 3.247 50 0 HGAARP COc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012443032 568725028 /nfs/dbraw/zinc/72/50/28/568725028.db2.gz NOIUVTYLNRBOGQ-FQEVSTJZSA-N 2 0 404.938 3.474 50 0 HGAARP O=C1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)CCN1CC[NH+]1CCCC1 ZINC000299765105 568873509 /nfs/dbraw/zinc/87/35/09/568873509.db2.gz VRAXFSZPLCOIOP-UHFFFAOYSA-N 2 0 407.558 3.396 50 0 HGAARP Cc1cc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c2ccccc2[nH+]1 ZINC000299783815 568875384 /nfs/dbraw/zinc/87/53/84/568875384.db2.gz VBQPOYXPYIACOO-NRFANRHFSA-N 2 0 422.573 3.305 50 0 HGAARP C[N@H+](CCNC(=O)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1)C1CCCCC1 ZINC000065255862 569208058 /nfs/dbraw/zinc/20/80/58/569208058.db2.gz HDQJVGXUWRPEFB-QHCPKHFHSA-N 2 0 421.589 3.227 50 0 HGAARP C[NH+](C)CCn1ncc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1-c1ccccc1 ZINC000253426473 569368338 /nfs/dbraw/zinc/36/83/38/569368338.db2.gz VJEVXZIBXGJUMZ-UHFFFAOYSA-N 2 0 423.605 3.496 50 0 HGAARP O[C@H](COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1)C[NH+]1CCCCC1 ZINC000011667619 132349089 /nfs/dbraw/zinc/34/90/89/132349089.db2.gz PIDITBXHUCRDFI-DEOSSOPVSA-N 2 0 409.574 3.234 50 0 HGAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000011668220 558269919 /nfs/dbraw/zinc/26/99/19/558269919.db2.gz TXWAESPHDVWJLF-DEOSSOPVSA-N 2 0 405.542 3.286 50 0 HGAARP COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011764532 558273655 /nfs/dbraw/zinc/27/36/55/558273655.db2.gz BVAUKCJFARKTPQ-IBGZPJMESA-N 2 0 420.500 3.489 50 0 HGAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2cccn2-c2ccccn2)C1)C1CC[NH+](C)CC1 ZINC000011938136 558301471 /nfs/dbraw/zinc/30/14/71/558301471.db2.gz IFKFWHWHGROVET-OAQYLSRUSA-N 2 0 423.605 3.417 50 0 HGAARP Cn1cc(CC[N@H+](C)Cc2ccccc2OC[C@H](O)C[NH+](C)C2CCCCC2)cn1 ZINC000012574336 558430429 /nfs/dbraw/zinc/43/04/29/558430429.db2.gz CUMGLYJNEVRSBM-HSZRJFAPSA-N 2 0 414.594 3.099 50 0 HGAARP CN(C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)[C@H]1CCOC1 ZINC000012703352 558448483 /nfs/dbraw/zinc/44/84/83/558448483.db2.gz MJUHZDHRHGVFLM-DEOSSOPVSA-N 2 0 413.606 3.043 50 0 HGAARP O[C@H](COc1ccccc1C[NH2+]CCCn1ncc2ccccc21)C[NH+]1CCCCC1 ZINC000012753232 558459320 /nfs/dbraw/zinc/45/93/20/558459320.db2.gz KVFUVHFSTOTEJY-QHCPKHFHSA-N 2 0 422.573 3.442 50 0 HGAARP COc1cc(C[NH2+]CCc2cccnc2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000015075146 558715450 /nfs/dbraw/zinc/71/54/50/558715450.db2.gz KHTYWNBEWFJFNG-QFIPXVFZSA-N 2 0 413.562 3.038 50 0 HGAARP COc1ccc(C[NH2+]CCCSC)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000015075801 558716255 /nfs/dbraw/zinc/71/62/55/558716255.db2.gz PGVTXEWUVSMGAD-NRFANRHFSA-N 2 0 418.603 3.410 50 0 HGAARP Cc1ocnc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000095505644 559083068 /nfs/dbraw/zinc/08/30/68/559083068.db2.gz GWHPAXRHRUVVJE-GOSISDBHSA-N 2 0 402.514 3.038 50 0 HGAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1)C1CC[NH+](C)CC1 ZINC000011711467 558271346 /nfs/dbraw/zinc/27/13/46/558271346.db2.gz MPIBMCVQFIUJCO-NRFANRHFSA-N 2 0 423.605 3.417 50 0 HGAARP COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011764523 558273629 /nfs/dbraw/zinc/27/36/29/558273629.db2.gz BVAUKCJFARKTPQ-LJQANCHMSA-N 2 0 420.500 3.489 50 0 HGAARP O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1CC1([NH+]2CCOCC2)CCCCC1 ZINC000011784316 558275562 /nfs/dbraw/zinc/27/55/62/558275562.db2.gz RXEJIQWPPZUALJ-QFIPXVFZSA-N 2 0 417.569 3.332 50 0 HGAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2cccc(OCCO)c2)CC1 ZINC000011839340 558285969 /nfs/dbraw/zinc/28/59/69/558285969.db2.gz DNZJCNUBIQZIGG-UHFFFAOYSA-N 2 0 412.574 3.453 50 0 HGAARP O=C(CCC1CC[NH+](CCCn2cccn2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000011840121 558286358 /nfs/dbraw/zinc/28/63/58/558286358.db2.gz WPGUPEGGMLHOTQ-XMMPIXPASA-N 2 0 423.605 3.156 50 0 HGAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]2CCCO2)CC1 ZINC000012093948 558325077 /nfs/dbraw/zinc/32/50/77/558325077.db2.gz GXNXOXRBISENDM-XMMPIXPASA-N 2 0 412.578 3.212 50 0 HGAARP COCC[N@H+](Cc1ccc(OC[C@@H](O)C[NH+](C)Cc2ccccc2)cc1)C(C)C ZINC000012191967 558347929 /nfs/dbraw/zinc/34/79/29/558347929.db2.gz XQBFOCULDBNJMN-QHCPKHFHSA-N 2 0 400.563 3.415 50 0 HGAARP C[N@H+](C[C@H](O)COc1cccc(C[NH2+]CC2(O)CCCCC2)c1)C1CCCCC1 ZINC000012712332 558453214 /nfs/dbraw/zinc/45/32/14/558453214.db2.gz JRGLUADPVOSUAL-QFIPXVFZSA-N 2 0 404.595 3.476 50 0 HGAARP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)CC1 ZINC000023363139 558552601 /nfs/dbraw/zinc/55/26/01/558552601.db2.gz KBZJDHNRJTWBGJ-IRLDBZIGSA-N 2 0 421.029 3.272 50 0 HGAARP C[NH+](C)CC(C)(C)CN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000015069775 558711948 /nfs/dbraw/zinc/71/19/48/558711948.db2.gz JDMICWZZAKOQKV-INIZCTEOSA-N 2 0 409.958 3.127 50 0 HGAARP CCC(=O)N[C@H]1CCC[NH+](CCCCCCCC[N@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000072309141 558772298 /nfs/dbraw/zinc/77/22/98/558772298.db2.gz HIYWXYLCDYSCNM-VXKWHMMOSA-N 2 0 422.658 3.308 50 0 HGAARP CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000055283016 558878440 /nfs/dbraw/zinc/87/84/40/558878440.db2.gz UZXGJXPCGDHGIW-QFIPXVFZSA-N 2 0 419.013 3.185 50 0 HGAARP O=C(NCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091873282 559074408 /nfs/dbraw/zinc/07/44/08/559074408.db2.gz ZQHIKRRMCUMPSL-GOSISDBHSA-N 2 0 409.496 3.009 50 0 HGAARP O[C@H](COc1cccc(C[NH2+]CCc2cccnc2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000012308019 568464703 /nfs/dbraw/zinc/46/47/03/568464703.db2.gz VBRHNWKGNBLPEP-VWLOTQADSA-N 2 0 417.553 3.212 50 0 HGAARP O[C@@H](COc1cccc(C[NH2+]CCc2cscn2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000015074707 568749171 /nfs/dbraw/zinc/74/91/71/568749171.db2.gz WYSLUGMSWRJTEF-HSZRJFAPSA-N 2 0 423.582 3.273 50 0 HGAARP CC[N@@H+]1CCC[C@H]1CN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000299786158 568875614 /nfs/dbraw/zinc/87/56/14/568875614.db2.gz PKOXLRGRQNVLSL-IRXDYDNUSA-N 2 0 407.942 3.024 50 0 HGAARP O=C1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CCN1CC[NH+]1CCCC1 ZINC000299789926 568875858 /nfs/dbraw/zinc/87/58/58/568875858.db2.gz AHLIGMJXTUCXEL-UHFFFAOYSA-N 2 0 407.558 3.396 50 0 HGAARP CSc1cccc(C[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)c1 ZINC000012075923 558319689 /nfs/dbraw/zinc/31/96/89/558319689.db2.gz HHCDDLSPJWZBIW-FQEVSTJZSA-N 2 0 418.628 3.487 50 0 HGAARP COCC[N@H+](Cc1ccc(OC[C@H](O)C[NH+](C)Cc2ccccc2)cc1)C(C)C ZINC000012191973 558347896 /nfs/dbraw/zinc/34/78/96/558347896.db2.gz XQBFOCULDBNJMN-HSZRJFAPSA-N 2 0 400.563 3.415 50 0 HGAARP CSCC(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012304272 558373671 /nfs/dbraw/zinc/37/36/71/558373671.db2.gz RCVDXRCUDZPXAF-UHFFFAOYSA-N 2 0 403.636 3.009 50 0 HGAARP Cn1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cn1 ZINC000012314141 558377807 /nfs/dbraw/zinc/37/78/07/558377807.db2.gz JIOLPHMDISJHGF-JOCHJYFZSA-N 2 0 400.542 3.452 50 0 HGAARP CCOCCC[NH2+]Cc1ccc(OC)c(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000012453749 558416607 /nfs/dbraw/zinc/41/66/07/558416607.db2.gz PDVRWECEFGTLCO-JOCHJYFZSA-N 2 0 416.562 3.083 50 0 HGAARP COc1cc(C[NH2+]CCc2cccnc2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000015075147 558715806 /nfs/dbraw/zinc/71/58/06/558715806.db2.gz KHTYWNBEWFJFNG-JOCHJYFZSA-N 2 0 413.562 3.038 50 0 HGAARP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000072305621 558762132 /nfs/dbraw/zinc/76/21/32/558762132.db2.gz FZVQBVBSEZYQMJ-VQTJNVASSA-N 2 0 401.595 3.392 50 0 HGAARP O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCSCC1 ZINC000067771500 558992728 /nfs/dbraw/zinc/99/27/28/558992728.db2.gz JUDJZSLYATWSCD-UHFFFAOYSA-N 2 0 415.647 3.371 50 0 HGAARP CSCCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091893819 559074375 /nfs/dbraw/zinc/07/43/75/559074375.db2.gz DXXFZDZNXSQUPT-OAQYLSRUSA-N 2 0 415.647 3.200 50 0 HGAARP Cc1cc(C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)no1 ZINC000014967070 568488492 /nfs/dbraw/zinc/48/84/92/568488492.db2.gz GDXAEVZWIWIQKX-UHFFFAOYSA-N 2 0 424.589 3.256 50 0 HGAARP COc1ccccc1CN1CCC([NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000222109011 568514197 /nfs/dbraw/zinc/51/41/97/568514197.db2.gz CILKWMZXRKQKFV-AJSBUHFISA-N 2 0 401.595 3.139 50 0 HGAARP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000095940800 568661798 /nfs/dbraw/zinc/66/17/98/568661798.db2.gz OQVCTCBLTZPUMO-VWLOTQADSA-N 2 0 419.573 3.464 50 0 HGAARP CCOc1ccc(Cc2c(SC(N)=[NH2+])nc(SC)nc2SC(N)=[NH2+])cc1 ZINC000096564218 568760628 /nfs/dbraw/zinc/76/06/28/568760628.db2.gz NUHOHKGMYIOMKF-UHFFFAOYSA-N 2 0 408.578 3.159 50 0 HGAARP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000057293315 568826078 /nfs/dbraw/zinc/82/60/78/568826078.db2.gz SICGCOWSGAAYFV-FQEVSTJZSA-N 2 0 422.573 3.236 50 0 HGAARP Cc1ccc([C@H](CNC(=O)Cc2cccc(OCC[NH+](C)C)c2)[NH+]2CCCC2)cc1 ZINC000170600238 569242949 /nfs/dbraw/zinc/24/29/49/569242949.db2.gz LWMBSXLKEKZQIK-DEOSSOPVSA-N 2 0 409.574 3.431 50 0 HGAARP C[NH+](C)CC(C)(C)CNCc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000055060652 569381410 /nfs/dbraw/zinc/38/14/10/569381410.db2.gz NOLDILNYFWVNGV-JOCHJYFZSA-N 2 0 405.627 3.368 50 0 HGAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCC3=CCCCC3)c2)CC1 ZINC000020601514 521686530 /nfs/dbraw/zinc/68/65/30/521686530.db2.gz QTEMVENENYINBO-QHCPKHFHSA-N 2 0 401.595 3.044 50 0 HGAARP COc1cc(OC)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1Br ZINC000002893825 557424018 /nfs/dbraw/zinc/42/40/18/557424018.db2.gz KTTOVODZEZPCOA-UHFFFAOYSA-N 2 0 416.404 3.172 50 0 HGAARP COc1ccc(C(=O)NCC[NH+](C)C)cc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000011709506 558271151 /nfs/dbraw/zinc/27/11/51/558271151.db2.gz UDPJQNVJHUNJPL-UHFFFAOYSA-N 2 0 411.546 3.030 50 0 HGAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]2CCCO2)CC1 ZINC000012093944 558325037 /nfs/dbraw/zinc/32/50/37/558325037.db2.gz GXNXOXRBISENDM-DEOSSOPVSA-N 2 0 412.578 3.212 50 0 HGAARP COc1ccc(OC[C@@H](O)C[NH+](C)C)c(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000012302001 558371474 /nfs/dbraw/zinc/37/14/74/558371474.db2.gz FZCZXTGGVBKPBJ-QHCPKHFHSA-N 2 0 412.574 3.451 50 0 HGAARP COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012303618 558373004 /nfs/dbraw/zinc/37/30/04/558373004.db2.gz YRBKKOCETNSDKO-JOCHJYFZSA-N 2 0 400.563 3.416 50 0 HGAARP CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)CC1 ZINC000023358374 558551333 /nfs/dbraw/zinc/55/13/33/558551333.db2.gz FYRMQXSLTFTDAZ-HXUWFJFHSA-N 2 0 420.623 3.082 50 0 HGAARP CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)CC1 ZINC000023358377 558551479 /nfs/dbraw/zinc/55/14/79/558551479.db2.gz FYRMQXSLTFTDAZ-FQEVSTJZSA-N 2 0 420.623 3.082 50 0 HGAARP CCn1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c2ccccc21 ZINC000039478989 558821631 /nfs/dbraw/zinc/82/16/31/558821631.db2.gz GOTONOCSYXZXPJ-HSZRJFAPSA-N 2 0 412.622 3.403 50 0 HGAARP C[N@@H+](Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1)CC1CC[NH+](C)CC1 ZINC000048139980 558843202 /nfs/dbraw/zinc/84/32/02/558843202.db2.gz OUVWARWKURNCDM-UHFFFAOYSA-N 2 0 403.530 3.273 50 0 HGAARP C[N@H+](C[C@@H](O)COc1cccc(CN2CC[NH+](C)C(C)(C)C2)c1)C1CCCCC1 ZINC000095528488 559086421 /nfs/dbraw/zinc/08/64/21/559086421.db2.gz ZTJLKKLYPQUUQZ-JOCHJYFZSA-N 2 0 403.611 3.217 50 0 HGAARP COc1cc(CN(C)CCC[NH+](C)C)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000015064650 568748832 /nfs/dbraw/zinc/74/88/32/568748832.db2.gz NXTOGLBAFLNKLQ-QFIPXVFZSA-N 2 0 421.626 3.085 50 0 HGAARP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031662718 568929083 /nfs/dbraw/zinc/92/90/83/568929083.db2.gz IYRDINOVHTXBGE-UHFFFAOYSA-N 2 0 406.574 3.399 50 0 HGAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCC3=CCCCC3)c2)CC1 ZINC000020601513 521684821 /nfs/dbraw/zinc/68/48/21/521684821.db2.gz QTEMVENENYINBO-HSZRJFAPSA-N 2 0 401.595 3.044 50 0 HGAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCc2cccnc2)cc1 ZINC000011661024 558264778 /nfs/dbraw/zinc/26/47/78/558264778.db2.gz ZLRZPRDLYRWJKN-DEOSSOPVSA-N 2 0 405.542 3.286 50 0 HGAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCc2cccnc2)cc1 ZINC000011661025 558265099 /nfs/dbraw/zinc/26/50/99/558265099.db2.gz ZLRZPRDLYRWJKN-XMMPIXPASA-N 2 0 405.542 3.286 50 0 HGAARP COc1ccc(C[NH2+]Cc2ccccc2F)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011934019 558298341 /nfs/dbraw/zinc/29/83/41/558298341.db2.gz SFYDCLJQDWDMSW-HXUWFJFHSA-N 2 0 402.510 3.350 50 0 HGAARP COCC[NH+]1CCC(C[N@@H+](Cc2cc(OC)cc(OC)c2)C[C@H]2CCCO2)CC1 ZINC000012075481 558319638 /nfs/dbraw/zinc/31/96/38/558319638.db2.gz MKZGRJRMZYJXBD-OAQYLSRUSA-N 2 0 406.567 3.043 50 0 HGAARP CN(c1ccccc1)c1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1 ZINC000020535356 558386028 /nfs/dbraw/zinc/38/60/28/558386028.db2.gz NDIASWKNTXRLCE-SANMLTNESA-N 2 0 422.617 3.417 50 0 HGAARP O[C@H](COc1ccccc1C[NH2+]CCc1nc2ccccc2[nH]1)C[NH+]1CCCCC1 ZINC000012434067 558408064 /nfs/dbraw/zinc/40/80/64/558408064.db2.gz DYAGXYLMTUTMKS-FQEVSTJZSA-N 2 0 408.546 3.121 50 0 HGAARP O[C@H](COc1ccccc1C[NH2+]CCCc1ccccc1)C[NH+]1CCSCC1 ZINC000012575432 558430676 /nfs/dbraw/zinc/43/06/76/558430676.db2.gz SGIXGVAAFZWPDJ-QFIPXVFZSA-N 2 0 400.588 3.198 50 0 HGAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000015065001 558707748 /nfs/dbraw/zinc/70/77/48/558707748.db2.gz ZWNDKAMJFBHEGY-OAQYLSRUSA-N 2 0 424.589 3.121 50 0 HGAARP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000072305620 558762061 /nfs/dbraw/zinc/76/20/61/558762061.db2.gz FZVQBVBSEZYQMJ-WOJBJXKFSA-N 2 0 401.595 3.392 50 0 HGAARP O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128881 558882582 /nfs/dbraw/zinc/88/25/82/558882582.db2.gz PGHVVVGCORKLAT-HSZRJFAPSA-N 2 0 406.574 3.369 50 0 HGAARP C[N@H+](Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000011997793 559270301 /nfs/dbraw/zinc/27/03/01/559270301.db2.gz KDXKMRRKZUJCJD-DEOSSOPVSA-N 2 0 410.558 3.095 50 0 HGAARP O=C(NCC[NH+]1CCCCC1)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000015722090 568881954 /nfs/dbraw/zinc/88/19/54/568881954.db2.gz QQLMVHYURNYWOQ-UHFFFAOYSA-N 2 0 415.969 3.208 50 0 HGAARP O=C(NCCC[N@H+]1CCCC[C@H]1CO)c1ccc(C[NH+]2CCc3ccccc3C2)cc1 ZINC000670450096 568925983 /nfs/dbraw/zinc/92/59/83/568925983.db2.gz QBTCXXSIFLMTGW-VWLOTQADSA-N 2 0 421.585 3.212 50 0 HGAARP CCC[C@@H]1CN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC[N@@H+]1CCOC ZINC000222183066 569039786 /nfs/dbraw/zinc/03/97/86/569039786.db2.gz VMOHIQYDZLSLFW-LEWJYISDSA-N 2 0 416.610 3.453 50 0 HGAARP O=C1C[C@H]([NH2+]CC2CC[NH+](Cc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000004784501 557597759 /nfs/dbraw/zinc/59/77/59/557597759.db2.gz SJBAWJOLLCFLJK-NRFANRHFSA-N 2 0 413.468 3.099 50 0 HGAARP COC(=O)CCCC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012301894 558371506 /nfs/dbraw/zinc/37/15/06/558371506.db2.gz CJIQLOZVFBKPGY-OAQYLSRUSA-N 2 0 421.626 3.299 50 0 HGAARP COc1cc(C[N@H+](C)C2CCOCC2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012314667 558378004 /nfs/dbraw/zinc/37/80/04/558378004.db2.gz UCUSIHQMBFEOKF-JOCHJYFZSA-N 2 0 420.594 3.310 50 0 HGAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]CC1(O)CCCCC1)C1CCCCC1 ZINC000012386480 558395390 /nfs/dbraw/zinc/39/53/90/558395390.db2.gz FNDBZKKTYUKRKN-QFIPXVFZSA-N 2 0 404.595 3.476 50 0 HGAARP O[C@@H](COc1ccccc1C[NH2+]CCCc1ccccc1)C[NH+]1CCSCC1 ZINC000012575425 558430658 /nfs/dbraw/zinc/43/06/58/558430658.db2.gz SGIXGVAAFZWPDJ-JOCHJYFZSA-N 2 0 400.588 3.198 50 0 HGAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)C1CC[NH+](C)CC1 ZINC000011661952 559127002 /nfs/dbraw/zinc/12/70/02/559127002.db2.gz PTDDOGBFYNNDQJ-IBGZPJMESA-N 2 0 415.578 3.003 50 0 HGAARP O[C@H](COc1cccc(C[NH2+]Cc2cccnc2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000011937826 559268753 /nfs/dbraw/zinc/26/87/53/559268753.db2.gz HHVOYGQPYSNDEE-DEOSSOPVSA-N 2 0 403.526 3.169 50 0 HGAARP C[C@@H]1C[N@H+](CCC(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)Cc2ccccc2O1 ZINC000011842024 568987202 /nfs/dbraw/zinc/98/72/02/568987202.db2.gz FGSJMNRARDTAIL-NFBKMPQASA-N 2 0 422.573 3.398 50 0 HGAARP O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000039357947 571313980 /nfs/dbraw/zinc/31/39/80/571313980.db2.gz NVZIGBZILZANQR-LHLOKTHNSA-N 2 0 411.590 3.171 50 0 HGAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C2CCCC2)C1 ZINC000011879603 558294140 /nfs/dbraw/zinc/29/41/40/558294140.db2.gz ZAHZDUBFDVLZFL-HXUWFJFHSA-N 2 0 401.595 3.488 50 0 HGAARP Cc1nc(CC[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)sc1C ZINC000011933669 558298381 /nfs/dbraw/zinc/29/83/81/558298381.db2.gz XRNBMVYSKVBUSB-HXUWFJFHSA-N 2 0 403.592 3.318 50 0 HGAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1OC ZINC000011954108 558303386 /nfs/dbraw/zinc/30/33/86/558303386.db2.gz SPNCGRYXOZPYQR-NRFANRHFSA-N 2 0 404.526 3.248 50 0 HGAARP CSC[C@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012000026 558308218 /nfs/dbraw/zinc/30/82/18/558308218.db2.gz CYBLSQUNUXPBSX-HNNXBMFYSA-N 2 0 414.015 3.226 50 0 HGAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1 ZINC000012076411 558320124 /nfs/dbraw/zinc/32/01/24/558320124.db2.gz DBQRMWDOYJHGMJ-HSZRJFAPSA-N 2 0 412.574 3.343 50 0 HGAARP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000012372902 558390318 /nfs/dbraw/zinc/39/03/18/558390318.db2.gz XFVIDQOLXOKAGY-JOCHJYFZSA-N 2 0 418.578 3.076 50 0 HGAARP C[N@H+](Cc1ccc2nonc2c1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000014958575 558683170 /nfs/dbraw/zinc/68/31/70/558683170.db2.gz YBYSRDDDEJNUGY-FQEVSTJZSA-N 2 0 410.518 3.080 50 0 HGAARP O=C(CCC1CC[NH+](Cc2cccnc2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000015065065 558708056 /nfs/dbraw/zinc/70/80/56/558708056.db2.gz SFYKTZPDFOFJOO-XMMPIXPASA-N 2 0 406.574 3.465 50 0 HGAARP C[C@H]1C[N@H+](CCC(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)Cc2ccccc2O1 ZINC000039354753 558820196 /nfs/dbraw/zinc/82/01/96/558820196.db2.gz FGSJMNRARDTAIL-REWPJTCUSA-N 2 0 422.573 3.398 50 0 HGAARP O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128882 558882702 /nfs/dbraw/zinc/88/27/02/558882702.db2.gz PGHVVVGCORKLAT-QHCPKHFHSA-N 2 0 406.574 3.369 50 0 HGAARP O=C(N[C@H]1CCCOC1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082097693 559037761 /nfs/dbraw/zinc/03/77/61/559037761.db2.gz AKBFLABANLDKBF-QHCPKHFHSA-N 2 0 413.606 3.091 50 0 HGAARP O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCCOCC1 ZINC000082137150 559040266 /nfs/dbraw/zinc/04/02/66/559040266.db2.gz DJZVCALXDMGVNN-UHFFFAOYSA-N 2 0 413.606 3.045 50 0 HGAARP O=C(NCC(F)(F)F)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091873279 559074321 /nfs/dbraw/zinc/07/43/21/559074321.db2.gz ZQHIKRRMCUMPSL-SFHVURJKSA-N 2 0 409.496 3.009 50 0 HGAARP O=C1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100218694 559132152 /nfs/dbraw/zinc/13/21/52/559132152.db2.gz SJBAWJOLLCFLJK-OAQYLSRUSA-N 2 0 413.468 3.099 50 0 HGAARP C[N@H+](C[C@H](O)COc1ccccc1CN1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000108265047 559167123 /nfs/dbraw/zinc/16/71/23/559167123.db2.gz FBWNIWXFMAIIRE-QFIPXVFZSA-N 2 0 403.611 3.217 50 0 HGAARP COCC1CC[NH+](Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000012750287 568940218 /nfs/dbraw/zinc/94/02/18/568940218.db2.gz HKUDDLQYVXJWRU-RUZDIDTESA-N 2 0 424.585 3.343 50 0 HGAARP CC[N@@H+]1CC[C@@H](CN(C)C(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)C1 ZINC000011816882 558279977 /nfs/dbraw/zinc/27/99/77/558279977.db2.gz CEDFXFNEVFRCIT-IBGZPJMESA-N 2 0 417.594 3.361 50 0 HGAARP COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012076215 558319960 /nfs/dbraw/zinc/31/99/60/558319960.db2.gz NVSDCLGIZUGBBW-NRFANRHFSA-N 2 0 416.587 3.082 50 0 HGAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3ccc(OCCO)cc3)CC2)cc1 ZINC000012206706 558352967 /nfs/dbraw/zinc/35/29/67/558352967.db2.gz JDHYFTMYUNSQAD-UHFFFAOYSA-N 2 0 412.574 3.453 50 0 HGAARP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012299046 558369132 /nfs/dbraw/zinc/36/91/32/558369132.db2.gz PRQDEHBYXGWYML-NRFANRHFSA-N 2 0 416.587 3.082 50 0 HGAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CC1(O)CCCCC1)C1CCCCC1 ZINC000012386479 558395267 /nfs/dbraw/zinc/39/52/67/558395267.db2.gz FNDBZKKTYUKRKN-JOCHJYFZSA-N 2 0 404.595 3.476 50 0 HGAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CCO)CC1 ZINC000020905809 558420675 /nfs/dbraw/zinc/42/06/75/558420675.db2.gz YBIWAEZTFIKQNX-NRFANRHFSA-N 2 0 413.528 3.447 50 0 HGAARP Cn1cc(CC[N@H+](C)Cc2ccccc2OC[C@@H](O)C[NH+](C)C2CCCCC2)cn1 ZINC000012574329 558430409 /nfs/dbraw/zinc/43/04/09/558430409.db2.gz CUMGLYJNEVRSBM-QHCPKHFHSA-N 2 0 414.594 3.099 50 0 HGAARP COc1cc(C[NH2+]C2CCCCCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012707421 558450517 /nfs/dbraw/zinc/45/05/17/558450517.db2.gz SKNKBUDTWMNXFB-FQEVSTJZSA-N 2 0 408.608 3.296 50 0 HGAARP CCc1ccc(C[N@H+](C)Cc2cccc(OC[C@H](O)C[NH+]3CCC(O)CC3)c2)cc1 ZINC000012836429 558478336 /nfs/dbraw/zinc/47/83/36/558478336.db2.gz IYPYDFCDURZAJN-XMMPIXPASA-N 2 0 412.574 3.077 50 0 HGAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]Cc3ccccc3Cl)c2)CC1 ZINC000022852880 558517280 /nfs/dbraw/zinc/51/72/80/558517280.db2.gz AJZPKUVQOHCHRC-NRFANRHFSA-N 2 0 417.981 3.007 50 0 HGAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCOc1cccnc1)C1CCCCC1 ZINC000015072409 558713799 /nfs/dbraw/zinc/71/37/99/558713799.db2.gz RHCXDJYXBHZSNP-JOCHJYFZSA-N 2 0 413.562 3.254 50 0 HGAARP COc1ccc(C[N@H+](C)CCC2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000015066582 568749044 /nfs/dbraw/zinc/74/90/44/568749044.db2.gz PIHJJVKQLMVJMO-JOCHJYFZSA-N 2 0 420.594 3.169 50 0 HGAARP O=c1cc(C[NH+]2CCCCC2)nc(N2CCC[N@@H+](Cc3cccc(Cl)c3)CC2)[nH]1 ZINC000035926891 569066486 /nfs/dbraw/zinc/06/64/86/569066486.db2.gz XJKIEQNSTFKUHV-UHFFFAOYSA-N 2 0 415.969 3.122 50 0 HGAARP CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3ccc4ccccc4c3)C[C@H]2C(=O)NCC)CC1 ZINC000020601031 519844513 /nfs/dbraw/zinc/84/45/13/519844513.db2.gz LLOJCDLGLVBLBT-NOZRDPDXSA-N 2 0 422.617 3.383 50 0 HGAARP CCn1c2ccccc2c2cc(C[NH+]3CCC(N4CC[NH+](CCO)CC4)CC3)ccc21 ZINC000019868432 558299389 /nfs/dbraw/zinc/29/93/89/558299389.db2.gz HKPPIQMDFLQTHS-UHFFFAOYSA-N 2 0 420.601 3.389 50 0 HGAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000012298392 558368489 /nfs/dbraw/zinc/36/84/89/558368489.db2.gz HDYIRPYELWSIEC-DEOSSOPVSA-N 2 0 423.605 3.465 50 0 HGAARP COC(=O)CCCC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012301895 558371487 /nfs/dbraw/zinc/37/14/87/558371487.db2.gz CJIQLOZVFBKPGY-NRFANRHFSA-N 2 0 421.626 3.299 50 0 HGAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccn2-c2ccccn2)CC1 ZINC000012320814 558382515 /nfs/dbraw/zinc/38/25/15/558382515.db2.gz PMGALUIDRCRBQE-QFIPXVFZSA-N 2 0 423.605 3.465 50 0 HGAARP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000012372903 558390330 /nfs/dbraw/zinc/39/03/30/558390330.db2.gz XFVIDQOLXOKAGY-QFIPXVFZSA-N 2 0 418.578 3.076 50 0 HGAARP COCC[NH+]1CCC(C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]2CCCO2)CC1 ZINC000012434093 558408139 /nfs/dbraw/zinc/40/81/39/558408139.db2.gz OILDEJVXXZIQEO-HSZRJFAPSA-N 2 0 412.578 3.416 50 0 HGAARP Cc1n[nH]c(C)c1CC[NH2+]Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012478303 558423208 /nfs/dbraw/zinc/42/32/08/558423208.db2.gz XBXPBXMKECDDQO-JOCHJYFZSA-N 2 0 414.594 3.363 50 0 HGAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cccc(C)n2)C1 ZINC000012717101 558455723 /nfs/dbraw/zinc/45/57/23/558455723.db2.gz LAQDHARXTNQCBS-OAQYLSRUSA-N 2 0 424.589 3.315 50 0 HGAARP COc1cc(C[NH2+]Cc2cc(F)cc(F)c2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012744498 558457661 /nfs/dbraw/zinc/45/76/61/558457661.db2.gz QUHJFSNWGAZMSY-HXUWFJFHSA-N 2 0 408.489 3.343 50 0 HGAARP Cc1cc(CNC(=O)C2CC[NH+](C3CC[NH+](CCCc4ccccc4)CC3)CC2)on1 ZINC000023398075 558556741 /nfs/dbraw/zinc/55/67/41/558556741.db2.gz HHZKQEQKYGLZAY-UHFFFAOYSA-N 2 0 424.589 3.408 50 0 HGAARP CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cc3ccccc3s1)CC2 ZINC000014744865 558668744 /nfs/dbraw/zinc/66/87/44/558668744.db2.gz GUOPZXQUXVINBP-UHFFFAOYSA-N 2 0 414.575 3.082 50 0 HGAARP COC1CC[NH+](Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000014964469 558685366 /nfs/dbraw/zinc/68/53/66/558685366.db2.gz BARYESJIWULGLU-HSZRJFAPSA-N 2 0 410.558 3.095 50 0 HGAARP Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cn1 ZINC000015073245 558714288 /nfs/dbraw/zinc/71/42/88/558714288.db2.gz NVBQNHPPQBNHHE-HXUWFJFHSA-N 2 0 412.553 3.445 50 0 HGAARP COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(C)c1C ZINC000039399344 558820864 /nfs/dbraw/zinc/82/08/64/558820864.db2.gz WPXQQEWVAWNXRX-HSZRJFAPSA-N 2 0 403.611 3.053 50 0 HGAARP CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000055283018 558878387 /nfs/dbraw/zinc/87/83/87/558878387.db2.gz UZXGJXPCGDHGIW-JOCHJYFZSA-N 2 0 419.013 3.185 50 0 HGAARP O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033129029 558882895 /nfs/dbraw/zinc/88/28/95/558882895.db2.gz XAFIVHOZYPAJRV-UHFFFAOYSA-N 2 0 406.574 3.369 50 0 HGAARP O=C(N[C@@H]1CCSC1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082114858 559038989 /nfs/dbraw/zinc/03/89/89/559038989.db2.gz LZJKSGJGYUUBOV-JOCHJYFZSA-N 2 0 415.647 3.417 50 0 HGAARP Cn1cccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000095505358 559083085 /nfs/dbraw/zinc/08/30/85/559083085.db2.gz CCDJGBWSWWIBGT-LJQANCHMSA-N 2 0 400.542 3.080 50 0 HGAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000012002005 559270712 /nfs/dbraw/zinc/27/07/12/559270712.db2.gz CZQOAGSNSGKIJA-QHCPKHFHSA-N 2 0 414.594 3.238 50 0 HGAARP CN(c1ccccc1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)C1CC[NH+](C)CC1 ZINC000241930335 568731975 /nfs/dbraw/zinc/73/19/75/568731975.db2.gz UHUSFBYJTCVOCW-UHFFFAOYSA-N 2 0 410.562 3.204 50 0 HGAARP CCCC[NH+](CCCC)CCCNC(=O)C1=C(C)C(=O)OC12CC[NH+](CC)CC2 ZINC000006876737 569163625 /nfs/dbraw/zinc/16/36/25/569163625.db2.gz JJKXAYDDFRVWPY-UHFFFAOYSA-N 2 0 407.599 3.123 50 0 biogenic HGAARP CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]Cc3ccc(C)o3)s2)CC1 ZINC000007002120 569198897 /nfs/dbraw/zinc/19/88/97/569198897.db2.gz PJWNNAPXVXEPCU-UHFFFAOYSA-N 2 0 400.552 3.052 50 0 HGAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCOc2cccnc2)cc1 ZINC000011821115 558284554 /nfs/dbraw/zinc/28/45/54/558284554.db2.gz XKUNAGSZHQOAQL-QHCPKHFHSA-N 2 0 421.541 3.122 50 0 HGAARP COc1ccc(C[NH2+]CCOc2ccccc2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012572380 558429713 /nfs/dbraw/zinc/42/97/13/558429713.db2.gz XDKMJGNAKQAKOY-NRFANRHFSA-N 2 0 414.546 3.089 50 0 HGAARP COc1ccc(C[NH2+]CCOc2ccccc2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012572387 558429724 /nfs/dbraw/zinc/42/97/24/558429724.db2.gz XDKMJGNAKQAKOY-OAQYLSRUSA-N 2 0 414.546 3.089 50 0 HGAARP CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)c(OC2CC[NH+](C(C)C)CC2)c1 ZINC000012585561 558433876 /nfs/dbraw/zinc/43/38/76/558433876.db2.gz WXXLUTNSXAPKRQ-IBGZPJMESA-N 2 0 403.567 3.161 50 0 HGAARP O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012587745 558434637 /nfs/dbraw/zinc/43/46/37/558434637.db2.gz PENNIXJORYPNNF-XMMPIXPASA-N 2 0 413.606 3.091 50 0 HGAARP CC[N@H+](CCn1cccn1)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012761606 558461181 /nfs/dbraw/zinc/46/11/81/558461181.db2.gz SYLOHLFJUOEJLK-HSZRJFAPSA-N 2 0 414.594 3.409 50 0 HGAARP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccccc2)C1 ZINC000014755469 558671830 /nfs/dbraw/zinc/67/18/30/558671830.db2.gz WYQRVLAHTPLTTH-LEWJYISDSA-N 2 0 413.537 3.021 50 0 HGAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(OC)cc2F)CC1 ZINC000015072567 558713746 /nfs/dbraw/zinc/71/37/46/558713746.db2.gz QRYFDILJEQEAEU-FQEVSTJZSA-N 2 0 405.558 3.427 50 0 HGAARP COc1cc(C[NH2+]CCc2nc(C)c(C)s2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000015073029 558713981 /nfs/dbraw/zinc/71/39/81/558713981.db2.gz DGZPMULAIWOWSU-LJQANCHMSA-N 2 0 421.607 3.181 50 0 HGAARP C[N@H+](C[C@H](O)COc1cccc(CN2CC[NH+](C)C(C)(C)C2)c1)C1CCCCC1 ZINC000108274924 559167113 /nfs/dbraw/zinc/16/71/13/559167113.db2.gz ZTJLKKLYPQUUQZ-QFIPXVFZSA-N 2 0 403.611 3.217 50 0 HGAARP CCOCCC[NH2+]Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000012593160 568868499 /nfs/dbraw/zinc/86/84/99/568868499.db2.gz FPSQACYMJCPPKU-OAQYLSRUSA-N 2 0 408.583 3.217 50 0 HGAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCC(F)(F)F ZINC000011661580 558265567 /nfs/dbraw/zinc/26/55/67/558265567.db2.gz NGWFSXRHDUXMPD-SFHVURJKSA-N 2 0 407.521 3.000 50 0 HGAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1)C1CC[NH+](C)CC1 ZINC000011711478 558271373 /nfs/dbraw/zinc/27/13/73/558271373.db2.gz MPIBMCVQFIUJCO-OAQYLSRUSA-N 2 0 423.605 3.417 50 0 HGAARP CSCC[C@@H](C)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000011821385 558284407 /nfs/dbraw/zinc/28/44/07/558284407.db2.gz ROSWPCKLYULXQN-GOSISDBHSA-N 2 0 404.624 3.016 50 0 HGAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000012027468 558310358 /nfs/dbraw/zinc/31/03/58/558310358.db2.gz PCGUMZKFKQVMQU-UHFFFAOYSA-N 2 0 400.592 3.480 50 0 HGAARP O=C(NCC[NH+]1CCCCC1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012303965 558373424 /nfs/dbraw/zinc/37/34/24/558373424.db2.gz AXBVORWIJGUKGE-UHFFFAOYSA-N 2 0 422.573 3.341 50 0 HGAARP CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3cccc4ccccc43)C[C@H]2C(=O)NCC)CC1 ZINC000020915031 558422788 /nfs/dbraw/zinc/42/27/88/558422788.db2.gz SXRGWFOATAOKNI-RDGATRHJSA-N 2 0 422.617 3.383 50 0 HGAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]CCCn1cccn1)C1CCCCC1 ZINC000012570941 558429017 /nfs/dbraw/zinc/42/90/17/558429017.db2.gz UGUMGTYJWYXGAO-QFIPXVFZSA-N 2 0 400.567 3.067 50 0 HGAARP COc1cc(C[NH+]2CCC(OC)CC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012571228 558429087 /nfs/dbraw/zinc/42/90/87/558429087.db2.gz NIYOVWGDVQIZKQ-OAQYLSRUSA-N 2 0 420.594 3.310 50 0 HGAARP COCC1CC[NH+](Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012762850 558461275 /nfs/dbraw/zinc/46/12/75/558461275.db2.gz VRDOOSDBTRQNTD-DEOSSOPVSA-N 2 0 412.574 3.417 50 0 HGAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]Cc3ccccc3Cl)c2)CC1 ZINC000022852881 558517228 /nfs/dbraw/zinc/51/72/28/558517228.db2.gz AJZPKUVQOHCHRC-OAQYLSRUSA-N 2 0 417.981 3.007 50 0 HGAARP COCC[N@@H+](Cc1ccc(CO)o1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000014952263 558681548 /nfs/dbraw/zinc/68/15/48/558681548.db2.gz KNEMLWRGPYRXCE-UHFFFAOYSA-N 2 0 402.535 3.141 50 0 HGAARP C[NH+]1CCN(c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4F)CC3)cc2)CC1 ZINC000067601819 558987445 /nfs/dbraw/zinc/98/74/45/558987445.db2.gz TXVAWTRKFIVFTG-UHFFFAOYSA-N 2 0 410.537 3.428 50 0 HGAARP O=C(NC1CCOCC1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082107169 559038442 /nfs/dbraw/zinc/03/84/42/559038442.db2.gz LVDRGPNYZHIUES-UHFFFAOYSA-N 2 0 413.606 3.091 50 0 HGAARP COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000011719436 559255026 /nfs/dbraw/zinc/25/50/26/559255026.db2.gz VHPCEYCVORTWAQ-LJQANCHMSA-N 2 0 404.938 3.474 50 0 HGAARP COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCC[NH+]3CCCCC3)CC1)cn2C ZINC000035457809 569037788 /nfs/dbraw/zinc/03/77/88/569037788.db2.gz JXKIELUJWYGZBC-UHFFFAOYSA-N 2 0 412.578 3.001 50 0 HGAARP CCC[C@H]1CN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC[N@@H+]1CCOC ZINC000222183114 569039765 /nfs/dbraw/zinc/03/97/65/569039765.db2.gz VMOHIQYDZLSLFW-SFTDATJTSA-N 2 0 416.610 3.453 50 0 HGAARP Cc1cc(=O)n2c(n1)NC(N1CCC([NH+]3CCCCC3)CC1)=[NH+][C@@H]2[C@H]1CC=CCC1 ZINC000009289500 571245342 /nfs/dbraw/zinc/24/53/42/571245342.db2.gz GSIKTTRSOHBPIU-RXVVDRJESA-N 2 0 410.566 3.138 50 0 HGAARP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000072305622 524023327 /nfs/dbraw/zinc/02/33/27/524023327.db2.gz FZVQBVBSEZYQMJ-UXHICEINSA-N 2 0 401.595 3.392 50 0 HGAARP COc1ccc(C[NH2+]Cc2cccnc2)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000011668218 558269929 /nfs/dbraw/zinc/26/99/29/558269929.db2.gz RRAGABYPVLWZMH-JOCHJYFZSA-N 2 0 413.562 3.386 50 0 HGAARP O=C(NCc1ccco1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011816659 558280010 /nfs/dbraw/zinc/28/00/10/558280010.db2.gz YRHDHHNMVDMXQF-OAQYLSRUSA-N 2 0 407.558 3.240 50 0 HGAARP O=C(CCC1CC[NH+](CCCn2cccn2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000011840124 558286462 /nfs/dbraw/zinc/28/64/62/558286462.db2.gz WPGUPEGGMLHOTQ-DEOSSOPVSA-N 2 0 423.605 3.156 50 0 HGAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C2CCCC2)C1 ZINC000011879604 558294319 /nfs/dbraw/zinc/29/43/19/558294319.db2.gz ZAHZDUBFDVLZFL-FQEVSTJZSA-N 2 0 401.595 3.488 50 0 HGAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1OC ZINC000011954098 558303189 /nfs/dbraw/zinc/30/31/89/558303189.db2.gz SPNCGRYXOZPYQR-OAQYLSRUSA-N 2 0 404.526 3.248 50 0 HGAARP CCn1cc(C[NH2+]Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)cn1 ZINC000012431382 558406025 /nfs/dbraw/zinc/40/60/25/558406025.db2.gz YLDGXUBGDVFKKZ-JOCHJYFZSA-N 2 0 400.567 3.197 50 0 HGAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cscn1 ZINC000012441699 558412322 /nfs/dbraw/zinc/41/23/22/558412322.db2.gz DHBAUQQQEMQLKY-QGZVFWFLSA-N 2 0 404.555 3.198 50 0 HGAARP COc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(OCCO)cc2)C1 ZINC000012507414 558423902 /nfs/dbraw/zinc/42/39/02/558423902.db2.gz JNHNCCGROFQABS-QFIPXVFZSA-N 2 0 412.574 3.453 50 0 HGAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]CCc1cscn1)C1CCCCC1 ZINC000012573939 558430391 /nfs/dbraw/zinc/43/03/91/558430391.db2.gz IOAKMWIUHWLYLI-NRFANRHFSA-N 2 0 403.592 3.480 50 0 HGAARP CN(C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)[C@@H]1CCOC1 ZINC000012703346 558448461 /nfs/dbraw/zinc/44/84/61/558448461.db2.gz MJUHZDHRHGVFLM-XMMPIXPASA-N 2 0 413.606 3.043 50 0 HGAARP COCC1CC[NH+](Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012762855 558461394 /nfs/dbraw/zinc/46/13/94/558461394.db2.gz VRDOOSDBTRQNTD-XMMPIXPASA-N 2 0 412.574 3.417 50 0 HGAARP CCC(CC)[C@H](CNC(=O)NCc1ccc(C[NH+](CC)CC)cc1)[NH+]1CCOCC1 ZINC000058175483 558909448 /nfs/dbraw/zinc/90/94/48/558909448.db2.gz XHQKGUSRVDUFFO-QHCPKHFHSA-N 2 0 418.626 3.465 50 0 HGAARP Cc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)on1 ZINC000095507475 559083284 /nfs/dbraw/zinc/08/32/84/559083284.db2.gz IYMWGVUPDXMJEZ-SFHVURJKSA-N 2 0 402.514 3.038 50 0 HGAARP C[NH+](C)C1CCN(Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000095510366 559083617 /nfs/dbraw/zinc/08/36/17/559083617.db2.gz IMDOCQMOBYAFSA-QHCPKHFHSA-N 2 0 403.611 3.217 50 0 HGAARP COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000011719446 559255006 /nfs/dbraw/zinc/25/50/06/559255006.db2.gz VHPCEYCVORTWAQ-IBGZPJMESA-N 2 0 404.938 3.474 50 0 HGAARP CC(C)[NH+](C[C@@H](O)COc1ccc(OC[C@H](O)C[NH+](C(C)C)C(C)C)cc1)C(C)C ZINC000004015468 568933643 /nfs/dbraw/zinc/93/36/43/568933643.db2.gz YTBAPACWXUSPOY-FGZHOGPDSA-N 2 0 424.626 3.404 50 0 HGAARP COCC1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000012750282 568940129 /nfs/dbraw/zinc/94/01/29/568940129.db2.gz HKUDDLQYVXJWRU-VWLOTQADSA-N 2 0 424.585 3.343 50 0 HGAARP COc1cc(C[N@H+](C)CCOc2ccccc2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012019845 558309163 /nfs/dbraw/zinc/30/91/63/558309163.db2.gz NOSNVOHXEFWSBT-OAQYLSRUSA-N 2 0 416.562 3.286 50 0 HGAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)CCSC)C1 ZINC000012192137 558347866 /nfs/dbraw/zinc/34/78/66/558347866.db2.gz HBFFLKOHVPAATQ-IBGZPJMESA-N 2 0 407.624 3.051 50 0 HGAARP CCOCCC[NH2+]Cc1ccc(OC)c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000012453747 558416566 /nfs/dbraw/zinc/41/65/66/558416566.db2.gz PDVRWECEFGTLCO-QFIPXVFZSA-N 2 0 416.562 3.083 50 0 HGAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)c(OC2CC[NH+](C(C)C)CC2)c1 ZINC000012585555 558433889 /nfs/dbraw/zinc/43/38/89/558433889.db2.gz WXXLUTNSXAPKRQ-LJQANCHMSA-N 2 0 403.567 3.161 50 0 HGAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)Cc2nccs2)C1 ZINC000039557988 558822376 /nfs/dbraw/zinc/82/23/76/558822376.db2.gz NFZUAMXZLWNTRY-LJQANCHMSA-N 2 0 402.608 3.428 50 0 HGAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](CCCOc1ccccc1)C2 ZINC000095368584 559080196 /nfs/dbraw/zinc/08/01/96/559080196.db2.gz OADAZEVZQMVQMU-AKFKNWHVSA-N 2 0 402.579 3.295 50 0 HGAARP CCOCCC[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000011874212 559264916 /nfs/dbraw/zinc/26/49/16/559264916.db2.gz VZNMBWVIFAGMTL-OAQYLSRUSA-N 2 0 408.583 3.217 50 0 HGAARP CCn1nc(C)c(C[NH2+]Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)c1C ZINC000012301143 568464531 /nfs/dbraw/zinc/46/45/31/568464531.db2.gz DSXBGPRNDYGWJV-JOCHJYFZSA-N 2 0 414.594 3.425 50 0 HGAARP COc1ccc(C[N@H+](C)CCC2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000015066581 568749071 /nfs/dbraw/zinc/74/90/71/568749071.db2.gz PIHJJVKQLMVJMO-QFIPXVFZSA-N 2 0 420.594 3.169 50 0 HGAARP CCC(=O)N[C@@H]1CCC[NH+](CCCCCCCC[N@H+]2CCC[C@@H](NC(=O)CC)C2)C1 ZINC000229381963 569040403 /nfs/dbraw/zinc/04/04/03/569040403.db2.gz HIYWXYLCDYSCNM-FGZHOGPDSA-N 2 0 422.658 3.308 50 0 HGAARP C[N@H+](CCNC(=O)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000169790719 569178062 /nfs/dbraw/zinc/17/80/62/569178062.db2.gz HDQJVGXUWRPEFB-HSZRJFAPSA-N 2 0 421.589 3.227 50 0 HGAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000011937437 558301124 /nfs/dbraw/zinc/30/11/24/558301124.db2.gz OOZGHHHHCLECJM-UHFFFAOYSA-N 2 0 416.953 3.070 50 0 HGAARP COc1ccccc1C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+](C)C(C)C)c(OC)c1 ZINC000012024414 558309986 /nfs/dbraw/zinc/30/99/86/558309986.db2.gz XDFFFJUUCMPHDA-OAQYLSRUSA-N 2 0 416.562 3.416 50 0 HGAARP COc1ccc2[nH]c(C[NH+]3CCC(CCC(=O)NCC[NH+](C)C)CC3)c(C)c2c1 ZINC000012314123 558377495 /nfs/dbraw/zinc/37/74/95/558377495.db2.gz CIIBMPQEPIILMP-UHFFFAOYSA-N 2 0 400.567 3.155 50 0 HGAARP Cn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cn1 ZINC000012314140 558377820 /nfs/dbraw/zinc/37/78/20/558377820.db2.gz JIOLPHMDISJHGF-QFIPXVFZSA-N 2 0 400.542 3.452 50 0 HGAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCc1cscn1)C1CCCCC1 ZINC000012573933 558430321 /nfs/dbraw/zinc/43/03/21/558430321.db2.gz IOAKMWIUHWLYLI-OAQYLSRUSA-N 2 0 403.592 3.480 50 0 HGAARP COc1ccccc1C[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000012750969 558459085 /nfs/dbraw/zinc/45/90/85/558459085.db2.gz ZFRZXFIGUHQHHB-FQEVSTJZSA-N 2 0 402.535 3.074 50 0 HGAARP Cn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cn1 ZINC000015069807 558711867 /nfs/dbraw/zinc/71/18/67/558711867.db2.gz SKZSXZNLOLIBTC-VWLOTQADSA-N 2 0 408.590 3.281 50 0 HGAARP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000060377485 558942468 /nfs/dbraw/zinc/94/24/68/558942468.db2.gz BFMPROPBLIXKCV-QGZVFWFLSA-N 2 0 421.545 3.027 50 0 HGAARP Cc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)on1 ZINC000095507474 559083318 /nfs/dbraw/zinc/08/33/18/559083318.db2.gz IYMWGVUPDXMJEZ-GOSISDBHSA-N 2 0 402.514 3.038 50 0 HGAARP COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000015061832 568748984 /nfs/dbraw/zinc/74/89/84/568748984.db2.gz FOKOMHFUPXMYRN-NRFANRHFSA-N 2 0 402.510 3.002 50 0 HGAARP COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000015066910 568749006 /nfs/dbraw/zinc/74/90/06/568749006.db2.gz ZLDBTNDEJFZDIH-OAQYLSRUSA-N 2 0 404.526 3.247 50 0 HGAARP CN(c1ccccc1)c1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cc1 ZINC000104513691 569008826 /nfs/dbraw/zinc/00/88/26/569008826.db2.gz NDIASWKNTXRLCE-AREMUKBSSA-N 2 0 422.617 3.417 50 0 HGAARP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COCc1ccccc1F ZINC000241590543 569054767 /nfs/dbraw/zinc/05/47/67/569054767.db2.gz PFUQRTJZTMYNFS-SMKKKYSBSA-N 2 0 400.538 3.449 50 0 HGAARP CCn1ccnc1CN(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2OC)C1 ZINC000020537236 523523744 /nfs/dbraw/zinc/52/37/44/523523744.db2.gz CVKZFFMTMYOZDX-OAQYLSRUSA-N 2 0 413.610 3.187 50 0 HGAARP O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1CC1([NH+]2CCOCC2)CCCCC1 ZINC000011784317 558275679 /nfs/dbraw/zinc/27/56/79/558275679.db2.gz RXEJIQWPPZUALJ-JOCHJYFZSA-N 2 0 417.569 3.332 50 0 HGAARP CCN1CCC([N@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000011812804 558277684 /nfs/dbraw/zinc/27/76/84/558277684.db2.gz FTSPIZKCQDUILB-UHFFFAOYSA-N 2 0 403.611 3.340 50 0 HGAARP CCn1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c2ccccc21 ZINC000019794432 558283620 /nfs/dbraw/zinc/28/36/20/558283620.db2.gz GOTONOCSYXZXPJ-QHCPKHFHSA-N 2 0 412.622 3.403 50 0 HGAARP CN(Cc1cc[nH]n1)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012301025 558370830 /nfs/dbraw/zinc/37/08/30/558370830.db2.gz QUMOTUGHUPXFAY-UHFFFAOYSA-N 2 0 423.605 3.177 50 0 HGAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1OC ZINC000012466112 558420460 /nfs/dbraw/zinc/42/04/60/558420460.db2.gz XXWSCFIKDUJPKU-FQEVSTJZSA-N 2 0 408.489 3.345 50 0 HGAARP CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC1)=CC2 ZINC000019300348 558866193 /nfs/dbraw/zinc/86/61/93/558866193.db2.gz DAIXNKKKFMNSFS-GMAHTHKFSA-N 2 0 415.622 3.014 50 0 HGAARP C[N@@H+]1CCCN(c2ccc(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cn2)CC1 ZINC000058393803 558923971 /nfs/dbraw/zinc/92/39/71/558923971.db2.gz CWJYHKYBBJFDIA-UHFFFAOYSA-N 2 0 421.589 3.139 50 0 HGAARP CCOCCC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000011874213 559264704 /nfs/dbraw/zinc/26/47/04/559264704.db2.gz VZNMBWVIFAGMTL-NRFANRHFSA-N 2 0 408.583 3.217 50 0 HGAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccn2-c2nccs2)C[C@@H]2CCCO2)CC1 ZINC000012303412 568464850 /nfs/dbraw/zinc/46/48/50/568464850.db2.gz CZDLSCRSYKKBCK-NRFANRHFSA-N 2 0 418.607 3.273 50 0 HGAARP COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000015061834 568748988 /nfs/dbraw/zinc/74/89/88/568748988.db2.gz FOKOMHFUPXMYRN-OAQYLSRUSA-N 2 0 402.510 3.002 50 0 HGAARP O[C@H](COc1cccc(C[NH2+]CCc2cscn2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000015074708 568749302 /nfs/dbraw/zinc/74/93/02/568749302.db2.gz WYSLUGMSWRJTEF-QHCPKHFHSA-N 2 0 423.582 3.273 50 0 HGAARP Cc1cc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c2ccccc2[nH+]1 ZINC000299783818 568875390 /nfs/dbraw/zinc/87/53/90/568875390.db2.gz VBQPOYXPYIACOO-OAQYLSRUSA-N 2 0 422.573 3.305 50 0 HGAARP C[NH+](C)CCSCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000083851138 568919744 /nfs/dbraw/zinc/91/97/44/568919744.db2.gz KJAPETZJLBSHBF-UHFFFAOYSA-N 2 0 412.603 3.242 50 0 HGAARP C[N@@H+]1CCN(CCC[NH2+]Cc2csc(-c3ncccn3)n2)[C@@H](c2ccccc2)C1 ZINC000229499376 569040553 /nfs/dbraw/zinc/04/05/53/569040553.db2.gz LBIUZDZNVAJWBL-HXUWFJFHSA-N 2 0 408.575 3.069 50 0 HGAARP CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]Cc3ccccc3F)s2)CC1 ZINC000007002112 569051764 /nfs/dbraw/zinc/05/17/64/569051764.db2.gz DJRYQBJUKJRZCW-UHFFFAOYSA-N 2 0 414.554 3.290 50 0 HGAARP C[N@@H+]1CCN(CC[NH2+][C@@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000252484667 569289145 /nfs/dbraw/zinc/28/91/45/569289145.db2.gz GDZFPBFYBQNEBB-UXHICEINSA-N 2 0 408.631 3.170 50 0 HGAARP CSCC[C@H](C)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000011821386 558284785 /nfs/dbraw/zinc/28/47/85/558284785.db2.gz ROSWPCKLYULXQN-SFHVURJKSA-N 2 0 404.624 3.016 50 0 HGAARP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051609 558314422 /nfs/dbraw/zinc/31/44/22/558314422.db2.gz SJBADFDBHMDNDE-HSZRJFAPSA-N 2 0 412.574 3.453 50 0 HGAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)CCSC)C1 ZINC000012192133 558347835 /nfs/dbraw/zinc/34/78/35/558347835.db2.gz HBFFLKOHVPAATQ-LJQANCHMSA-N 2 0 407.624 3.051 50 0 HGAARP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012299047 558369140 /nfs/dbraw/zinc/36/91/40/558369140.db2.gz PRQDEHBYXGWYML-OAQYLSRUSA-N 2 0 416.587 3.082 50 0 HGAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH2+]CC2(O)CCCCC2)c1)C1CCCCC1 ZINC000012712326 558453302 /nfs/dbraw/zinc/45/33/02/558453302.db2.gz JRGLUADPVOSUAL-JOCHJYFZSA-N 2 0 404.595 3.476 50 0 HGAARP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000004435086 558558380 /nfs/dbraw/zinc/55/83/80/558558380.db2.gz LDQNQUKUIUTYEN-UHFFFAOYSA-N 2 0 410.400 3.365 50 0 HGAARP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014732353 558665753 /nfs/dbraw/zinc/66/57/53/558665753.db2.gz IGKUUPBDHRZIQZ-RCZVLFRGSA-N 3 0 422.617 3.052 50 0 HGAARP COc1ccc(C[NH2+]CC(C)(C)OC)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000014955129 558682208 /nfs/dbraw/zinc/68/22/08/558682208.db2.gz JDZDILWHUDRNRR-NRFANRHFSA-N 2 0 416.562 3.082 50 0 HGAARP Cc1[nH]ccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000095523163 559085634 /nfs/dbraw/zinc/08/56/34/559085634.db2.gz WSAFDODFUAIMJU-IBGZPJMESA-N 2 0 400.542 3.378 50 0 HGAARP COc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000247868117 559177621 /nfs/dbraw/zinc/17/76/21/559177621.db2.gz BQKCMTJTRLUXSP-FKBYEOEOSA-N 2 0 420.594 3.094 50 0 HGAARP O[C@H](COc1cccc(C[NH2+]CCCOc2cccnc2)c1)C[NH+]1CCCCCC1 ZINC000012304752 568464523 /nfs/dbraw/zinc/46/45/23/568464523.db2.gz OGLNNJUCINXCLN-QFIPXVFZSA-N 2 0 413.562 3.256 50 0 HGAARP O=C(C[NH+]1CCCC1)Nc1ccc(Cc2ccc(NC(=O)C[NH+]3CCCC3)cc2)cc1 ZINC000004114057 568944343 /nfs/dbraw/zinc/94/43/43/568944343.db2.gz YNNKKMKHXXUFLP-UHFFFAOYSA-N 2 0 420.557 3.346 50 0 HGAARP Cc1cc(=O)n2c(n1)NC(N1CCC([NH+]3CCCCC3)CC1)=[NH+][C@H]2[C@@H]1CC=CCC1 ZINC000009289510 571245330 /nfs/dbraw/zinc/24/53/30/571245330.db2.gz GSIKTTRSOHBPIU-WIYYLYMNSA-N 2 0 410.566 3.138 50 0 HGAARP COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccc(Cl)nc1 ZINC000005271646 557642837 /nfs/dbraw/zinc/64/28/37/557642837.db2.gz SEDKARUOVQLPLU-UHFFFAOYSA-N 2 0 405.926 3.135 50 0 HGAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cccnc2)C1 ZINC000011818526 558281890 /nfs/dbraw/zinc/28/18/90/558281890.db2.gz AWLDAERPAUCVIW-FQEVSTJZSA-N 2 0 410.562 3.006 50 0 HGAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2cccn2-c2ccccn2)C1)C1CC[NH+](C)CC1 ZINC000011938135 558301508 /nfs/dbraw/zinc/30/15/08/558301508.db2.gz IFKFWHWHGROVET-NRFANRHFSA-N 2 0 423.605 3.417 50 0 HGAARP CCOC(=O)c1n[nH]cc1C[N@H+](C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012300282 558370072 /nfs/dbraw/zinc/37/00/72/558370072.db2.gz JMVSXDQTWYBMHL-UHFFFAOYSA-N 2 0 402.514 3.112 50 0 HGAARP COc1ccc(OC[C@H](O)C[NH+](C)C)c(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000012302003 558371557 /nfs/dbraw/zinc/37/15/57/558371557.db2.gz FZCZXTGGVBKPBJ-HSZRJFAPSA-N 2 0 412.574 3.451 50 0 HGAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CC(F)(F)F ZINC000014981211 558691703 /nfs/dbraw/zinc/69/17/03/558691703.db2.gz OYXGPRHOAMTEQR-INIZCTEOSA-N 2 0 403.464 3.380 50 0 HGAARP CN(CC[NH+](C)C)C(=O)c1cccc(OC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000015062747 558705655 /nfs/dbraw/zinc/70/56/55/558705655.db2.gz FFLDEQOOXJLXGE-UHFFFAOYSA-N 2 0 421.585 3.331 50 0 HGAARP COCCCC1CC[NH+](Cc2ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c2)CC1 ZINC000015063725 558706494 /nfs/dbraw/zinc/70/64/94/558706494.db2.gz GKFKRIVXKUPEPM-QFIPXVFZSA-N 2 0 422.610 3.414 50 0 HGAARP COCCCC1CC[NH+](Cc2ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c2)CC1 ZINC000015063726 558706517 /nfs/dbraw/zinc/70/65/17/558706517.db2.gz GKFKRIVXKUPEPM-JOCHJYFZSA-N 2 0 422.610 3.414 50 0 HGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]Cc2ccc(F)c(F)c2)ccc1OC ZINC000015070295 558712359 /nfs/dbraw/zinc/71/23/59/558712359.db2.gz WMPZMBPQYNXOHO-SFHVURJKSA-N 2 0 408.489 3.345 50 0 HGAARP Cn1cccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000095505359 559083006 /nfs/dbraw/zinc/08/30/06/559083006.db2.gz CCDJGBWSWWIBGT-IBGZPJMESA-N 2 0 400.542 3.080 50 0 HGAARP O[C@@H](COc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1)C[NH+]1CCCCC1 ZINC000095524403 559085766 /nfs/dbraw/zinc/08/57/66/559085766.db2.gz DPQTXRVADPEQIG-JOCHJYFZSA-N 2 0 402.579 3.305 50 0 HGAARP C[N@@H+]1CCN(CC[NH2+][C@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000252484669 559277385 /nfs/dbraw/zinc/27/73/85/559277385.db2.gz GDZFPBFYBQNEBB-WOJBJXKFSA-N 2 0 408.631 3.170 50 0 HGAARP O=C1C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc2c(c1)CCC2 ZINC000105969386 560877999 /nfs/dbraw/zinc/87/79/99/560877999.db2.gz KPBPIEZHOVINQQ-HSZRJFAPSA-N 2 0 403.526 3.061 50 0 HGAARP COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000012093022 560888875 /nfs/dbraw/zinc/88/88/75/560888875.db2.gz ILAMTAGXBCMVLD-GOSISDBHSA-N 2 0 405.558 3.379 50 0 HGAARP COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000012093019 560888921 /nfs/dbraw/zinc/88/89/21/560888921.db2.gz ILAMTAGXBCMVLD-SFHVURJKSA-N 2 0 405.558 3.379 50 0 HGAARP COc1ccc(C[NH2+]CCc2ccccc2F)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000014970217 568497604 /nfs/dbraw/zinc/49/76/04/568497604.db2.gz YULOVADBZLEYCC-HXUWFJFHSA-N 2 0 404.526 3.247 50 0 HGAARP CC(C)[NH+](C[C@H](O)COc1ccc(OC[C@@H](O)C[NH+](C(C)C)C(C)C)cc1)C(C)C ZINC000004015469 568933635 /nfs/dbraw/zinc/93/36/35/568933635.db2.gz YTBAPACWXUSPOY-VXKWHMMOSA-N 2 0 424.626 3.404 50 0 HGAARP C[N@H+](CCNC(=O)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1)C1CCCCC1 ZINC000169789765 569177951 /nfs/dbraw/zinc/17/79/51/569177951.db2.gz YTPFRKZRHRFDAN-HSZRJFAPSA-N 2 0 421.589 3.227 50 0 HGAARP COc1cc(C[NH2+]CC2(N(C)C)CCCCC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000039557676 571133145 /nfs/dbraw/zinc/13/31/45/571133145.db2.gz JRGGWRMSDAYBCY-OAQYLSRUSA-N 2 0 421.626 3.129 50 0 HGAARP Cc1cc(=O)n2c(n1)NC(N1CCC([NH+]3CCCCC3)CC1)=[NH+][C@@H]2[C@@H]1CC=CCC1 ZINC000009289507 571245408 /nfs/dbraw/zinc/24/54/08/571245408.db2.gz GSIKTTRSOHBPIU-NQIIRXRSSA-N 2 0 410.566 3.138 50 0 HGAARP O[C@@H](COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1)C[NH+]1CCCCC1 ZINC000011667614 132349146 /nfs/dbraw/zinc/34/91/46/132349146.db2.gz PIDITBXHUCRDFI-XMMPIXPASA-N 2 0 409.574 3.234 50 0 HGAARP O[C@@H](COc1ccccc1C[NH2+]CCc1nc2ccccc2[nH]1)C[NH+]1CCCCC1 ZINC000012434066 558408101 /nfs/dbraw/zinc/40/81/01/558408101.db2.gz DYAGXYLMTUTMKS-HXUWFJFHSA-N 2 0 408.546 3.121 50 0 HGAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@H+](C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779185 558412487 /nfs/dbraw/zinc/41/24/87/558412487.db2.gz GBNJHYIUYNAYBF-DEOSSOPVSA-N 2 0 411.590 3.004 50 0 HGAARP CSCCC[NH2+]Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000012458916 558418470 /nfs/dbraw/zinc/41/84/70/558418470.db2.gz MAQHLISGUXEGDJ-JOCHJYFZSA-N 2 0 400.588 3.327 50 0 HGAARP O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012587738 558434622 /nfs/dbraw/zinc/43/46/22/558434622.db2.gz PENNIXJORYPNNF-DEOSSOPVSA-N 2 0 413.606 3.091 50 0 HGAARP COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000012712398 558453263 /nfs/dbraw/zinc/45/32/63/558453263.db2.gz NRDUNUNIHYZFRW-JOCHJYFZSA-N 2 0 420.594 3.094 50 0 HGAARP COc1ccccc1C[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000012750972 558459113 /nfs/dbraw/zinc/45/91/13/558459113.db2.gz ZFRZXFIGUHQHHB-HXUWFJFHSA-N 2 0 402.535 3.074 50 0 HGAARP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000023362519 558552436 /nfs/dbraw/zinc/55/24/36/558552436.db2.gz VDQNPXNTVSZPJD-YADHBBJMSA-N 2 0 421.029 3.272 50 0 HGAARP O=C(NCCc1ccccc1)C1CC[NH+](C2CC[NH+](C3CCSCC3)CC2)CC1 ZINC000023367582 558552813 /nfs/dbraw/zinc/55/28/13/558552813.db2.gz HQLLWTKSWOEFJE-UHFFFAOYSA-N 2 0 415.647 3.417 50 0 HGAARP O=C(NCC(F)(F)F)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082107304 559038446 /nfs/dbraw/zinc/03/84/46/559038446.db2.gz FLYNQUNCZSCQRF-UHFFFAOYSA-N 2 0 411.512 3.474 50 0 HGAARP C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000222151785 568514333 /nfs/dbraw/zinc/51/43/33/568514333.db2.gz SXKQPZSVQNNKSE-SFYKDHMMSA-N 2 0 415.603 3.498 50 0 HGAARP C[NH+](C)CC(C)(C)CNCc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000055060653 569381384 /nfs/dbraw/zinc/38/13/84/569381384.db2.gz NOLDILNYFWVNGV-QFIPXVFZSA-N 2 0 405.627 3.368 50 0 HGAARP CCn1ccnc1CN(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2OC)C1 ZINC000020537238 523523950 /nfs/dbraw/zinc/52/39/50/523523950.db2.gz CVKZFFMTMYOZDX-NRFANRHFSA-N 2 0 413.610 3.187 50 0 HGAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000011667906 558269754 /nfs/dbraw/zinc/26/97/54/558269754.db2.gz OFAZUPBFXXPEFE-UHFFFAOYSA-N 2 0 416.953 3.070 50 0 HGAARP CC[NH+](CC)CCN(C)C(=O)c1ccc(OC)c(OC2CC[NH+](C(C)C)CC2)c1 ZINC000011878947 558293253 /nfs/dbraw/zinc/29/32/53/558293253.db2.gz VNQUXTQXRJYLON-UHFFFAOYSA-N 2 0 405.583 3.361 50 0 HGAARP Cc1nc(CC[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)sc1C ZINC000011933668 558298161 /nfs/dbraw/zinc/29/81/61/558298161.db2.gz XRNBMVYSKVBUSB-FQEVSTJZSA-N 2 0 403.592 3.318 50 0 HGAARP COc1ccccc1C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](C)C(C)C)c(OC)c1 ZINC000012024410 558309911 /nfs/dbraw/zinc/30/99/11/558309911.db2.gz XDFFFJUUCMPHDA-NRFANRHFSA-N 2 0 416.562 3.416 50 0 HGAARP Cc1cccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000012024658 558309967 /nfs/dbraw/zinc/30/99/67/558309967.db2.gz ZRBUJLNHOOMJKX-HXUWFJFHSA-N 2 0 412.553 3.445 50 0 HGAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc(OC)ccc2F)CC1 ZINC000012055648 558315873 /nfs/dbraw/zinc/31/58/73/558315873.db2.gz XRHYENVHHQSJBD-HXUWFJFHSA-N 2 0 405.558 3.427 50 0 HGAARP CSc1cccc(C[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)c1 ZINC000012075925 558319591 /nfs/dbraw/zinc/31/95/91/558319591.db2.gz HHCDDLSPJWZBIW-HXUWFJFHSA-N 2 0 418.628 3.487 50 0 HGAARP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000012193335 558348442 /nfs/dbraw/zinc/34/84/42/558348442.db2.gz LPUFYBWGKHPQFF-FQEVSTJZSA-N 2 0 422.573 3.197 50 0 HGAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000012298391 558368432 /nfs/dbraw/zinc/36/84/32/558368432.db2.gz HDYIRPYELWSIEC-XMMPIXPASA-N 2 0 423.605 3.465 50 0 HGAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@H+](C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779182 558412537 /nfs/dbraw/zinc/41/25/37/558412537.db2.gz GBNJHYIUYNAYBF-XMMPIXPASA-N 2 0 411.590 3.004 50 0 HGAARP COc1ccc(CC[NH2+]Cc2ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c2)cc1 ZINC000012576874 558431371 /nfs/dbraw/zinc/43/13/71/558431371.db2.gz GWFFWHNQFQCVMK-OAQYLSRUSA-N 2 0 416.562 3.116 50 0 HGAARP CC[NH+](CC)CCN(CC[NH+](CC)CC)c1cc(-c2ccccc2)nc2ncnn21 ZINC000023320291 558549114 /nfs/dbraw/zinc/54/91/14/558549114.db2.gz BPXLMHQLYHSECB-UHFFFAOYSA-N 2 0 409.582 3.281 50 0 HGAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000015065002 558707697 /nfs/dbraw/zinc/70/76/97/558707697.db2.gz ZWNDKAMJFBHEGY-NRFANRHFSA-N 2 0 424.589 3.121 50 0 HGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+](C)CCC2CCOCC2)ccc1OC ZINC000015070446 558712323 /nfs/dbraw/zinc/71/23/23/558712323.db2.gz XMVCAUFHQCDVFS-OAQYLSRUSA-N 2 0 408.583 3.025 50 0 HGAARP C[N@@H+](Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1)CC1CC[NH+](C)CC1 ZINC000048090882 558843037 /nfs/dbraw/zinc/84/30/37/558843037.db2.gz HPBQSMKHWGDBOB-UHFFFAOYSA-N 2 0 403.530 3.273 50 0 HGAARP Cc1ocnc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000095505645 559083094 /nfs/dbraw/zinc/08/30/94/559083094.db2.gz GWHPAXRHRUVVJE-SFHVURJKSA-N 2 0 402.514 3.038 50 0 HGAARP Cn1ccnc1C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095510597 559083723 /nfs/dbraw/zinc/08/37/23/559083723.db2.gz UGPNVTOGBQTYKG-HXUWFJFHSA-N 2 0 401.599 3.003 50 0 HGAARP C[N@H+](Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000011997796 559270268 /nfs/dbraw/zinc/27/02/68/559270268.db2.gz KDXKMRRKZUJCJD-XMMPIXPASA-N 2 0 410.558 3.095 50 0 HGAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccn2-c2nccs2)C[C@H]2CCCO2)CC1 ZINC000012303413 568464875 /nfs/dbraw/zinc/46/48/75/568464875.db2.gz CZDLSCRSYKKBCK-OAQYLSRUSA-N 2 0 418.607 3.273 50 0 HGAARP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000222310387 568514840 /nfs/dbraw/zinc/51/48/40/568514840.db2.gz PFUQRTJZTMYNFS-WOIUINJBSA-N 2 0 400.538 3.449 50 0 HGAARP Cc1cc(=O)n2c(n1)NC(N1CCC([NH+]3CCCCC3)CC1)=[NH+][C@H]2[C@H]1CC=CCC1 ZINC000009289505 571245400 /nfs/dbraw/zinc/24/54/00/571245400.db2.gz GSIKTTRSOHBPIU-GHTZIAJQSA-N 2 0 410.566 3.138 50 0 HGAARP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000011937962 535144015 /nfs/dbraw/zinc/14/40/15/535144015.db2.gz QPDVYZXIMDGWDQ-QHCPKHFHSA-N 2 0 416.585 3.059 50 0 HGAARP COc1ccc(C[N@H+](C)Cc2ccncc2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011665249 558268728 /nfs/dbraw/zinc/26/87/28/558268728.db2.gz OALNVGJPNXJWGU-JOCHJYFZSA-N 2 0 413.562 3.256 50 0 HGAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]Cc3cccc(Cl)c3)c2)CC1 ZINC000019841618 558294396 /nfs/dbraw/zinc/29/43/96/558294396.db2.gz CNPRHXIYNGDXEA-QFIPXVFZSA-N 2 0 417.981 3.007 50 0 HGAARP COCC[NH+]1CCC(C[N@@H+](Cc2cc(OC)cc(OC)c2)C[C@@H]2CCCO2)CC1 ZINC000012075478 558319642 /nfs/dbraw/zinc/31/96/42/558319642.db2.gz MKZGRJRMZYJXBD-NRFANRHFSA-N 2 0 406.567 3.043 50 0 HGAARP Cc1ccc(C)c(-n2cc(C[NH2+]CCN3CC[NH+](C)CC3)c(-c3ccccc3)n2)c1 ZINC000020363632 558358105 /nfs/dbraw/zinc/35/81/05/558358105.db2.gz YTLDGJZMLXPKEH-UHFFFAOYSA-N 2 0 403.574 3.493 50 0 HGAARP CSCCC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000012458915 558418593 /nfs/dbraw/zinc/41/85/93/558418593.db2.gz MAQHLISGUXEGDJ-QFIPXVFZSA-N 2 0 400.588 3.327 50 0 HGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OC ZINC000012712162 558453316 /nfs/dbraw/zinc/45/33/16/558453316.db2.gz VJGKAKJIWAWNRV-FQEVSTJZSA-N 2 0 402.535 3.075 50 0 HGAARP C[NH+](C)CC(C)(C)CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000015069773 558711930 /nfs/dbraw/zinc/71/19/30/558711930.db2.gz JDMICWZZAKOQKV-MRXNPFEDSA-N 2 0 409.958 3.127 50 0 HGAARP CSCCNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000015074820 558715286 /nfs/dbraw/zinc/71/52/86/558715286.db2.gz YKPBVQXIFJNWKZ-UHFFFAOYSA-N 2 0 403.636 3.275 50 0 HGAARP C[NH+](C)C1CCN(Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000095510365 559083663 /nfs/dbraw/zinc/08/36/63/559083663.db2.gz IMDOCQMOBYAFSA-HSZRJFAPSA-N 2 0 403.611 3.217 50 0 HGAARP COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4ccc(CO)o4)C3)C2)c1OC ZINC000014978017 568517228 /nfs/dbraw/zinc/51/72/28/568517228.db2.gz JBPASXRHEUNCEX-QHCPKHFHSA-N 2 0 400.519 3.277 50 0 HGAARP CNC(=O)C[NH+]1CCC(C[N@H+](C)CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000225421416 568636398 /nfs/dbraw/zinc/63/63/98/568636398.db2.gz RYZLPINCDGXRIM-UHFFFAOYSA-N 2 0 407.602 3.478 50 0 HGAARP COc1ccc(C[NH2+]CCOC(C)C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000015079724 568750068 /nfs/dbraw/zinc/75/00/68/568750068.db2.gz SMSIOQVABUKJHT-OAQYLSRUSA-N 2 0 408.583 3.216 50 0 HGAARP CC(C)[NH+](CCNC(=O)C1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1)C(C)C ZINC000012763676 568947315 /nfs/dbraw/zinc/94/73/15/568947315.db2.gz CLAIFUSYFTYUNJ-UHFFFAOYSA-N 2 0 424.674 3.263 50 0 HGAARP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000011937961 535144150 /nfs/dbraw/zinc/14/41/50/535144150.db2.gz QPDVYZXIMDGWDQ-HSZRJFAPSA-N 2 0 416.585 3.059 50 0 HGAARP C[NH+](C)Cc1ccc([C@H]2CC[C@H](c3ccc(C[NH+](C)C)[nH]3)N2C(=O)C(F)(F)F)[nH]1 ZINC000006378963 557700563 /nfs/dbraw/zinc/70/05/63/557700563.db2.gz VTXHMPQMXJZLNG-QZTJIDSGSA-N 2 0 411.472 3.433 50 0 HGAARP CCn1cc(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012226463 558357085 /nfs/dbraw/zinc/35/70/85/558357085.db2.gz VMBBAXPOLHGQDV-QHCPKHFHSA-N 2 0 408.546 3.065 50 0 HGAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1OC ZINC000012466108 558420367 /nfs/dbraw/zinc/42/03/67/558420367.db2.gz XXWSCFIKDUJPKU-HXUWFJFHSA-N 2 0 408.489 3.345 50 0 HGAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCCn1cccn1)C1CCCCC1 ZINC000012570935 558429010 /nfs/dbraw/zinc/42/90/10/558429010.db2.gz UGUMGTYJWYXGAO-JOCHJYFZSA-N 2 0 400.567 3.067 50 0 HGAARP CC[N@H+](CCn1cccn1)Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012761602 558461076 /nfs/dbraw/zinc/46/10/76/558461076.db2.gz SYLOHLFJUOEJLK-QHCPKHFHSA-N 2 0 414.594 3.409 50 0 HGAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1OC ZINC000014978778 558690411 /nfs/dbraw/zinc/69/04/11/558690411.db2.gz QAOXVGGECFKBOB-NRFANRHFSA-N 2 0 404.526 3.248 50 0 HGAARP C[C@H](Cc1ccccn1)[NH+]1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012306993 568464646 /nfs/dbraw/zinc/46/46/46/568464646.db2.gz KXBWRXQYZPZZIH-HXUWFJFHSA-N 2 0 424.589 3.190 50 0 HGAARP COc1ccc(C[NH2+]CCOC(C)C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000015079721 568750079 /nfs/dbraw/zinc/75/00/79/568750079.db2.gz SMSIOQVABUKJHT-NRFANRHFSA-N 2 0 408.583 3.216 50 0 HGAARP Cc1ccc([C@@H](CNC(=O)Cc2cccc(OCC[NH+](C)C)c2)[NH+]2CCCC2)cc1 ZINC000170600237 569243009 /nfs/dbraw/zinc/24/30/09/569243009.db2.gz LWMBSXLKEKZQIK-XMMPIXPASA-N 2 0 409.574 3.431 50 0 HGAARP CC1(C)CC(NC(=O)CCCCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000004256094 557532443 /nfs/dbraw/zinc/53/24/43/557532443.db2.gz OQAUCVGWSNUAAP-UHFFFAOYSA-N 2 0 422.658 3.398 50 0 HGAARP COc1ccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000005675809 557668147 /nfs/dbraw/zinc/66/81/47/557668147.db2.gz JIWOBGZPCHTGKU-UHFFFAOYSA-N 2 0 407.558 3.252 50 0 HGAARP COc1ccc(C[NH2+]Cc2ccccc2F)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011934018 558298252 /nfs/dbraw/zinc/29/82/52/558298252.db2.gz SFYDCLJQDWDMSW-FQEVSTJZSA-N 2 0 402.510 3.350 50 0 HGAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000011936158 558300254 /nfs/dbraw/zinc/30/02/54/558300254.db2.gz XGVZGZBZICWGMO-HXUWFJFHSA-N 2 0 411.594 3.166 50 0 HGAARP CSCCC(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011950018 558302832 /nfs/dbraw/zinc/30/28/32/558302832.db2.gz HNZQDQNTCCUQLM-UHFFFAOYSA-N 2 0 417.663 3.399 50 0 HGAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](Cc3ccco3)CC2)c(Cl)c1 ZINC000012092222 558324536 /nfs/dbraw/zinc/32/45/36/558324536.db2.gz IVCKMHBILWBCLV-UHFFFAOYSA-N 2 0 405.926 3.268 50 0 HGAARP COc1cc(C[N@H+](C)C2CCOCC2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012314666 558378014 /nfs/dbraw/zinc/37/80/14/558378014.db2.gz UCUSIHQMBFEOKF-QFIPXVFZSA-N 2 0 420.594 3.310 50 0 HGAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccccn2)C1 ZINC000012706520 558450310 /nfs/dbraw/zinc/45/03/10/558450310.db2.gz MOBHYFRFSQPVTG-FQEVSTJZSA-N 2 0 410.562 3.006 50 0 HGAARP C[NH+]1CCC(C[N@H+](CCc2ccccc2)Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000095507492 559083326 /nfs/dbraw/zinc/08/33/26/559083326.db2.gz MRKSOMPPZYHOKL-UHFFFAOYSA-N 2 0 400.588 3.477 50 0 HGAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)C1CC[NH+](C)CC1 ZINC000011661953 559126991 /nfs/dbraw/zinc/12/69/91/559126991.db2.gz PTDDOGBFYNNDQJ-LJQANCHMSA-N 2 0 415.578 3.003 50 0 HGAARP COc1cc(C[NH2+]CC(C)(C)OC)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000015078811 568749963 /nfs/dbraw/zinc/74/99/63/568749963.db2.gz YGYOJZZGZUCZIQ-FQEVSTJZSA-N 2 0 408.583 3.216 50 0 HGAARP COc1cc(C[NH2+]CC(C)(C)OC)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000015078813 568749987 /nfs/dbraw/zinc/74/99/87/568749987.db2.gz YGYOJZZGZUCZIQ-HXUWFJFHSA-N 2 0 408.583 3.216 50 0 HGAARP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000057293316 568826228 /nfs/dbraw/zinc/82/62/28/568826228.db2.gz SICGCOWSGAAYFV-HXUWFJFHSA-N 2 0 422.573 3.236 50 0 HGAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2CCO)CC1 ZINC000104389396 569008530 /nfs/dbraw/zinc/00/85/30/569008530.db2.gz YBIWAEZTFIKQNX-OAQYLSRUSA-N 2 0 413.528 3.447 50 0 HGAARP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000241590542 569054807 /nfs/dbraw/zinc/05/48/07/569054807.db2.gz PFUQRTJZTMYNFS-PDXXHEQOSA-N 2 0 400.538 3.449 50 0 HGAARP CC[NH+](CC)CCN(C)C(=O)Nc1ccc(NC(=O)N(C)CC[NH+](CC)CC)cc1 ZINC000004118695 557516252 /nfs/dbraw/zinc/51/62/52/557516252.db2.gz BJKQIWQMBLVUDD-UHFFFAOYSA-N 2 0 420.602 3.298 50 0 HGAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCC(F)(F)F ZINC000011661579 558265585 /nfs/dbraw/zinc/26/55/85/558265585.db2.gz NGWFSXRHDUXMPD-GOSISDBHSA-N 2 0 407.521 3.000 50 0 HGAARP O=C(NCC[NH+]1CCCCC1)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000011665068 558268533 /nfs/dbraw/zinc/26/85/33/558268533.db2.gz UHIXUAFDLRRWMV-UHFFFAOYSA-N 2 0 422.573 3.341 50 0 HGAARP COc1ccc(C[N@H+](C)Cc2ccncc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011665250 558268743 /nfs/dbraw/zinc/26/87/43/558268743.db2.gz OALNVGJPNXJWGU-QFIPXVFZSA-N 2 0 413.562 3.256 50 0 HGAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000011668221 558270028 /nfs/dbraw/zinc/27/00/28/558270028.db2.gz TXWAESPHDVWJLF-XMMPIXPASA-N 2 0 405.542 3.286 50 0 HGAARP COc1cc(CN(C)CCC[NH+](C)C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011716253 558271644 /nfs/dbraw/zinc/27/16/44/558271644.db2.gz CJNPPHHHSKSXIX-JOCHJYFZSA-N 2 0 421.626 3.083 50 0 HGAARP COc1cc(C[NH2+]CC2CCOCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011878398 558292712 /nfs/dbraw/zinc/29/27/12/558292712.db2.gz JPWPHJSALSOZGT-QFIPXVFZSA-N 2 0 420.594 3.216 50 0 HGAARP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000012193343 558348559 /nfs/dbraw/zinc/34/85/59/558348559.db2.gz LPUFYBWGKHPQFF-HXUWFJFHSA-N 2 0 422.573 3.197 50 0 HGAARP CCn1cc(C[NH2+]Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012226472 558357064 /nfs/dbraw/zinc/35/70/64/558357064.db2.gz VMBBAXPOLHGQDV-HSZRJFAPSA-N 2 0 408.546 3.065 50 0 HGAARP CCn1cc(C[NH2+]Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)cn1 ZINC000012431381 558405937 /nfs/dbraw/zinc/40/59/37/558405937.db2.gz YLDGXUBGDVFKKZ-QFIPXVFZSA-N 2 0 400.567 3.197 50 0 HGAARP C[NH+](C)CCOc1cccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1 ZINC000020778078 558412172 /nfs/dbraw/zinc/41/21/72/558412172.db2.gz HUFOKVRYVIAENK-VWLOTQADSA-N 2 0 422.617 3.414 50 0 HGAARP COc1cc(C[NH+]2CCC(OC)CC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012571225 558429074 /nfs/dbraw/zinc/42/90/74/558429074.db2.gz NIYOVWGDVQIZKQ-NRFANRHFSA-N 2 0 420.594 3.310 50 0 HGAARP COc1cc(C[NH2+]Cc2cc(F)cc(F)c2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012744494 558457595 /nfs/dbraw/zinc/45/75/95/558457595.db2.gz QUHJFSNWGAZMSY-FQEVSTJZSA-N 2 0 408.489 3.343 50 0 HGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]CCc2ccc(C)cc2)ccc1OC ZINC000015061972 558705156 /nfs/dbraw/zinc/70/51/56/558705156.db2.gz ULDORVGNVNRULK-JOCHJYFZSA-N 2 0 400.563 3.417 50 0 HGAARP Cn1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cn1 ZINC000015069809 558711852 /nfs/dbraw/zinc/71/18/52/558711852.db2.gz SKZSXZNLOLIBTC-RUZDIDTESA-N 2 0 408.590 3.281 50 0 HGAARP O=C(N[C@@H]1CCCOC1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082097692 559037682 /nfs/dbraw/zinc/03/76/82/559037682.db2.gz AKBFLABANLDKBF-HSZRJFAPSA-N 2 0 413.606 3.091 50 0 HGAARP O=C(N[C@H]1CCSC1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082114860 559038966 /nfs/dbraw/zinc/03/89/66/559038966.db2.gz LZJKSGJGYUUBOV-QFIPXVFZSA-N 2 0 415.647 3.417 50 0 HGAARP CSCCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091893821 559074364 /nfs/dbraw/zinc/07/43/64/559074364.db2.gz DXXFZDZNXSQUPT-NRFANRHFSA-N 2 0 415.647 3.200 50 0 HGAARP COc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000247868119 559177574 /nfs/dbraw/zinc/17/75/74/559177574.db2.gz BQKCMTJTRLUXSP-YPAWHYETSA-N 2 0 420.594 3.094 50 0 HGAARP COc1cc(C[NH+]2CCC(OC)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012385906 568672985 /nfs/dbraw/zinc/67/29/85/568672985.db2.gz ZHLLJPBLORXRSR-OAQYLSRUSA-N 2 0 420.594 3.312 50 0 HGAARP COc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012443035 568725052 /nfs/dbraw/zinc/72/50/52/568725052.db2.gz NOIUVTYLNRBOGQ-HXUWFJFHSA-N 2 0 404.938 3.474 50 0 HGAARP Cn1nccc1C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012594901 568868814 /nfs/dbraw/zinc/86/88/14/568868814.db2.gz XXGSUCZXDYOJPX-HXUWFJFHSA-N 2 0 401.599 3.003 50 0 HGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]CCc2ccccc2F)ccc1OC ZINC000023340487 568915851 /nfs/dbraw/zinc/91/58/51/568915851.db2.gz AJOCWEDHWPVJFO-HXUWFJFHSA-N 2 0 404.526 3.248 50 0 HGAARP C[C@H]1C[N@H+](CCC(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)Cc2ccccc2O1 ZINC000011842026 568987181 /nfs/dbraw/zinc/98/71/81/568987181.db2.gz FGSJMNRARDTAIL-NZQKXSOJSA-N 2 0 422.573 3.398 50 0 HGAARP C[N@H+](CCNC(=O)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1)C1CCCCC1 ZINC000065256031 569208287 /nfs/dbraw/zinc/20/82/87/569208287.db2.gz YTPFRKZRHRFDAN-QHCPKHFHSA-N 2 0 421.589 3.227 50 0 HGAARP C[NH+](C)CCOc1cc(Br)c(OCC[NH+](C)C)cc1Br ZINC000044583764 521795616 /nfs/dbraw/zinc/79/56/16/521795616.db2.gz ROMKKPMBKLIRCX-UHFFFAOYSA-N 2 0 410.150 3.092 50 0 HGAARP CN(CC[NH+]1CCCC1)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000020537795 522828734 /nfs/dbraw/zinc/82/87/34/522828734.db2.gz KWSAZCPPLSWIQR-QHCPKHFHSA-N 2 0 403.611 3.218 50 0 HGAARP COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011763025 558273646 /nfs/dbraw/zinc/27/36/46/558273646.db2.gz LYUHHTWOWFGBMW-HXUWFJFHSA-N 2 0 402.535 3.454 50 0 HGAARP CN(C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)C1CC[NH+](C)CC1 ZINC000011818256 558281585 /nfs/dbraw/zinc/28/15/85/558281585.db2.gz LSJVNPJPIWQOGJ-UHFFFAOYSA-N 2 0 422.573 3.291 50 0 HGAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cccnc2)C1 ZINC000011818525 558281933 /nfs/dbraw/zinc/28/19/33/558281933.db2.gz AWLDAERPAUCVIW-HXUWFJFHSA-N 2 0 410.562 3.006 50 0 HGAARP CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cc(C[NH+]4CCCCC4)cs3)CC2)O1 ZINC000011997918 558307492 /nfs/dbraw/zinc/30/74/92/558307492.db2.gz FYORVTCQWZEYKY-HXUWFJFHSA-N 2 0 405.608 3.384 50 0 HGAARP COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(C)c1C ZINC000020774838 558411738 /nfs/dbraw/zinc/41/17/38/558411738.db2.gz WPXQQEWVAWNXRX-QHCPKHFHSA-N 2 0 403.611 3.053 50 0 HGAARP COc1cc(C[NH2+]C2CCCCCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012707426 558450537 /nfs/dbraw/zinc/45/05/37/558450537.db2.gz SKNKBUDTWMNXFB-HXUWFJFHSA-N 2 0 408.608 3.296 50 0 HGAARP Cc1cc(C)n(CC[NH2+]Cc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)n1 ZINC000012836801 558478390 /nfs/dbraw/zinc/47/83/90/558478390.db2.gz DYIWLBTVLYXQQP-QHCPKHFHSA-N 2 0 414.594 3.294 50 0 HGAARP COCC[N@@H+](Cc1cnn(C)c1C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000014957859 558682978 /nfs/dbraw/zinc/68/29/78/558682978.db2.gz KQYPJRCIVCGDGL-UHFFFAOYSA-N 2 0 400.567 3.098 50 0 HGAARP COC1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000014964464 558685238 /nfs/dbraw/zinc/68/52/38/558685238.db2.gz BARYESJIWULGLU-QHCPKHFHSA-N 2 0 410.558 3.095 50 0 HGAARP COc1ccccc1-c1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cs1 ZINC000072277232 558703178 /nfs/dbraw/zinc/70/31/78/558703178.db2.gz CFCQPWCYVBRCJB-UHFFFAOYSA-N 2 0 404.580 3.164 50 0 HGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+](C)CCC2CCOCC2)ccc1OC ZINC000015070448 558712418 /nfs/dbraw/zinc/71/24/18/558712418.db2.gz XMVCAUFHQCDVFS-NRFANRHFSA-N 2 0 408.583 3.025 50 0 HGAARP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000072305623 558762126 /nfs/dbraw/zinc/76/21/26/558762126.db2.gz FZVQBVBSEZYQMJ-PMACEKPBSA-N 2 0 401.595 3.392 50 0 HGAARP CC[N@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)C1CC1 ZINC000071753916 558909350 /nfs/dbraw/zinc/90/93/50/558909350.db2.gz LVTBCKGBOBFKPO-UHFFFAOYSA-N 2 0 409.578 3.409 50 0 HGAARP Cc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)no1 ZINC000095499325 559081891 /nfs/dbraw/zinc/08/18/91/559081891.db2.gz AKERWWZCFFKRSJ-GOSISDBHSA-N 2 0 402.514 3.038 50 0 HGAARP C[N@H+](C[C@@H](O)COc1ccccc1CN1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000095511722 559083992 /nfs/dbraw/zinc/08/39/92/559083992.db2.gz FBWNIWXFMAIIRE-JOCHJYFZSA-N 2 0 403.611 3.217 50 0 HGAARP COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012091237 560888929 /nfs/dbraw/zinc/88/89/29/560888929.db2.gz ZIYADNQEBZUUSS-OAQYLSRUSA-N 2 0 404.526 3.247 50 0 HGAARP CCn1nc(C)c(C[NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)c1C ZINC000012301140 568464420 /nfs/dbraw/zinc/46/44/20/568464420.db2.gz DSXBGPRNDYGWJV-QFIPXVFZSA-N 2 0 414.594 3.425 50 0 HGAARP O[C@@H](COc1cccc(C[NH2+]CCCOc2cccnc2)c1)C[NH+]1CCCCCC1 ZINC000012304749 568464537 /nfs/dbraw/zinc/46/45/37/568464537.db2.gz OGLNNJUCINXCLN-JOCHJYFZSA-N 2 0 413.562 3.256 50 0 HGAARP CC[N@@H+]1CCC[C@@H]1CN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000299786145 568875674 /nfs/dbraw/zinc/87/56/74/568875674.db2.gz PKOXLRGRQNVLSL-DLBZAZTESA-N 2 0 407.942 3.024 50 0 HGAARP CC(C)[NH+](C[C@@H](O)COc1ccc(OC[C@@H](O)C[NH+](C(C)C)C(C)C)cc1)C(C)C ZINC000004015467 568933617 /nfs/dbraw/zinc/93/36/17/568933617.db2.gz YTBAPACWXUSPOY-SZPZYZBQSA-N 2 0 424.626 3.404 50 0 HGAARP CC1CC[NH+](CCCNC(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)CC1 ZINC000065256404 569208369 /nfs/dbraw/zinc/20/83/69/569208369.db2.gz SWDPSGHHDIHFAU-QHCPKHFHSA-N 2 0 421.589 3.084 50 0 HGAARP CC1CC[NH+](CCCNC(=O)c2ccc(N3CC[NH2+][C@@H](c4ccccc4)C3)nc2)CC1 ZINC000065256405 569208438 /nfs/dbraw/zinc/20/84/38/569208438.db2.gz SWDPSGHHDIHFAU-HSZRJFAPSA-N 2 0 421.589 3.084 50 0 HGAARP C[N@@H+]1CCN(CC[NH2+][C@@H](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000252484666 569289166 /nfs/dbraw/zinc/28/91/66/569289166.db2.gz GDZFPBFYBQNEBB-PMACEKPBSA-N 2 0 408.631 3.170 50 0 HGAARP COc1ccc(C[NH2+]Cc2cccnc2)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000011668219 558269986 /nfs/dbraw/zinc/26/99/86/558269986.db2.gz RRAGABYPVLWZMH-QFIPXVFZSA-N 2 0 413.562 3.386 50 0 HGAARP COc1cc(C[N@H+](C)CCOc2ccccc2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012019844 558309108 /nfs/dbraw/zinc/30/91/08/558309108.db2.gz NOSNVOHXEFWSBT-NRFANRHFSA-N 2 0 416.562 3.286 50 0 HGAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc(OC)ccc2F)CC1 ZINC000012055655 558315961 /nfs/dbraw/zinc/31/59/61/558315961.db2.gz XRHYENVHHQSJBD-FQEVSTJZSA-N 2 0 405.558 3.427 50 0 HGAARP C[NH+](C)CCC[N@H+](CCCn1cccn1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000020454630 558368563 /nfs/dbraw/zinc/36/85/63/558368563.db2.gz QYZQAOMDXKORLG-UHFFFAOYSA-N 3 0 423.649 3.406 50 0 HGAARP COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012303617 558373148 /nfs/dbraw/zinc/37/31/48/558373148.db2.gz YRBKKOCETNSDKO-QFIPXVFZSA-N 2 0 400.563 3.416 50 0 HGAARP COCC[NH+]1CCC(C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000012434092 558408052 /nfs/dbraw/zinc/40/80/52/558408052.db2.gz OILDEJVXXZIQEO-QHCPKHFHSA-N 2 0 412.578 3.416 50 0 HGAARP CCc1ccc(C[N@H+](C)Cc2cccc(OC[C@@H](O)C[NH+]3CCC(O)CC3)c2)cc1 ZINC000012836427 558478450 /nfs/dbraw/zinc/47/84/50/558478450.db2.gz IYPYDFCDURZAJN-DEOSSOPVSA-N 2 0 412.574 3.077 50 0 HGAARP COc1ccc(C[NH2+]CC(C)(C)OC)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000014955133 558682152 /nfs/dbraw/zinc/68/21/52/558682152.db2.gz JDZDILWHUDRNRR-OAQYLSRUSA-N 2 0 416.562 3.082 50 0 HGAARP Cc1ncoc1C(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000015065031 558707757 /nfs/dbraw/zinc/70/77/57/558707757.db2.gz GOCQDTVSULGIEX-UHFFFAOYSA-N 2 0 424.589 3.256 50 0 HGAARP COc1cc(C[NH2+]CCc2nc(C)c(C)s2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015073027 558714038 /nfs/dbraw/zinc/71/40/38/558714038.db2.gz DGZPMULAIWOWSU-IBGZPJMESA-N 2 0 421.607 3.181 50 0 HGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+](C)Cc2ccncc2C)ccc1OC ZINC000015075931 558716280 /nfs/dbraw/zinc/71/62/80/558716280.db2.gz PQWTWLSDMZUNBA-OAQYLSRUSA-N 2 0 401.551 3.112 50 0 HGAARP COc1ccc(C[NH2+]CCCSC)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000015075803 558716365 /nfs/dbraw/zinc/71/63/65/558716365.db2.gz PGVTXEWUVSMGAD-OAQYLSRUSA-N 2 0 418.603 3.410 50 0 HGAARP C[C@@H]1CCC[N@@H+]1Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000071712024 558907218 /nfs/dbraw/zinc/90/72/18/558907218.db2.gz OFBQXGIJXWATCH-LJQANCHMSA-N 2 0 409.578 3.409 50 0 HGAARP Cc1n[nH]cc1C[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000095520893 559085303 /nfs/dbraw/zinc/08/53/03/559085303.db2.gz YKELGZBZZMLRNF-QFIPXVFZSA-N 2 0 400.567 3.354 50 0 HGAARP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000095940799 568661810 /nfs/dbraw/zinc/66/18/10/568661810.db2.gz OQVCTCBLTZPUMO-RUZDIDTESA-N 2 0 419.573 3.464 50 0 HGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]CCc2ccccc2F)ccc1OC ZINC000023340490 568915888 /nfs/dbraw/zinc/91/58/88/568915888.db2.gz AJOCWEDHWPVJFO-FQEVSTJZSA-N 2 0 404.526 3.248 50 0 HGAARP C[N@@H+]1CCN(CC[NH2+][C@H](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000252484668 569289161 /nfs/dbraw/zinc/28/91/61/569289161.db2.gz GDZFPBFYBQNEBB-VQTJNVASSA-N 2 0 408.631 3.170 50 0 HGAARP O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040050462 571143968 /nfs/dbraw/zinc/14/39/68/571143968.db2.gz POKNJVITGNFJOY-DEOSSOPVSA-N 2 0 421.585 3.428 50 0 HGAARP