smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)cc(C)[nH+]1 ZINC000426506531 241300141 /nfs/dbraw/zinc/30/01/41/241300141.db2.gz BZSKILDAUDDCTG-UHFFFAOYSA-N 2 0 330.476 2.221 50 0 EEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072458295 203228145 /nfs/dbraw/zinc/22/81/45/203228145.db2.gz KBOOPBTUWHEUHT-QGZVFWFLSA-N 2 0 333.476 2.401 50 0 EEAARP COCc1nc(NCCC23CCC[NH+]2CCC3)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244564080 293333063 /nfs/dbraw/zinc/33/30/63/293333063.db2.gz CMDTVFXGPVGDEG-SHTZXODSSA-N 2 0 345.491 2.258 50 0 EEAARP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000071776544 202353559 /nfs/dbraw/zinc/35/35/59/202353559.db2.gz HKMUTSMHOIVUSX-GOSISDBHSA-N 2 0 343.496 2.352 50 0 EEAARP CCCn1ncc(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)c1C ZINC000077343549 203381299 /nfs/dbraw/zinc/38/12/99/203381299.db2.gz UVTUCMBLUIAPOP-QGZVFWFLSA-N 2 0 347.551 2.449 50 0 EEAARP C[NH+](C)CCN1C(=O)CC[C@@H]2C[N@@H+](C/C=C/c3ccco3)CC[C@@H]21 ZINC000014986954 462936397 /nfs/dbraw/zinc/93/63/97/462936397.db2.gz URFJLNKSPSEUKG-JVEBIPGUSA-N 2 0 331.460 2.167 50 0 EEAARP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)NCC1([NH+]2CCCCC2)CCCC1 ZINC000828116128 800590025 /nfs/dbraw/zinc/59/00/25/800590025.db2.gz HCISDGBAUYVULT-SFHVURJKSA-N 2 0 345.487 2.177 50 0 EEAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccccc3)C[C@@H]2CCO)CC1 ZINC000023375467 202103570 /nfs/dbraw/zinc/10/35/70/202103570.db2.gz AEGWBKPDYAPWFE-NRFANRHFSA-N 2 0 345.531 2.428 50 0 EEAARP Cc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000244708059 243063260 /nfs/dbraw/zinc/06/32/60/243063260.db2.gz KMULZDKBNBOBFU-IYBDPMFKSA-N 2 0 329.492 2.444 50 0 EEAARP C[C@@H](C1CC[NH+](Cc2cccc(OCC(N)=O)c2)CC1)[NH+]1CCCC1 ZINC000072429971 203223180 /nfs/dbraw/zinc/22/31/80/203223180.db2.gz WNHXZJHTDSEACM-INIZCTEOSA-N 2 0 345.487 2.247 50 0 EEAARP CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000110657509 463662070 /nfs/dbraw/zinc/66/20/70/463662070.db2.gz JIXOXLWLOAXZOX-QZTJIDSGSA-N 2 0 332.492 2.273 50 0 EEAARP CC(=O)OCc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)o1 ZINC000023280597 680067228 /nfs/dbraw/zinc/06/72/28/680067228.db2.gz XARUSYOBXQLRDM-UHFFFAOYSA-N 2 0 339.480 2.048 50 0 EEAARP COCC1([NH2+][C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CCCC1 ZINC000072165596 1370312104 /nfs/dbraw/zinc/31/21/04/1370312104.db2.gz ROCGCAUZTVMPGO-MSOLQXFVSA-N 2 0 330.472 2.272 50 0 EEAARP Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC001529120565 1121325057 /nfs/dbraw/zinc/32/50/57/1121325057.db2.gz CMOOSFFYPQMGCP-UHFFFAOYSA-N 2 0 338.459 2.497 50 0 EEAARP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c[nH+]cn2c1 ZINC000423495945 539943679 /nfs/dbraw/zinc/94/36/79/539943679.db2.gz FUWICNLAROQVAL-QZTJIDSGSA-N 2 0 338.386 2.349 50 0 EEAARP COc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc(OC)c1 ZINC000004987066 201630945 /nfs/dbraw/zinc/63/09/45/201630945.db2.gz WJKHEBIFZPTMEW-UHFFFAOYSA-N 2 0 337.508 2.409 50 0 EEAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000009849512 462808327 /nfs/dbraw/zinc/80/83/27/462808327.db2.gz WJKFIEYTTGEVMO-UHFFFAOYSA-N 2 0 347.503 2.365 50 0 EEAARP O=c1c2ccccc2cnn1CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067696502 463038137 /nfs/dbraw/zinc/03/81/37/463038137.db2.gz JBJGBARENOQPPE-UHFFFAOYSA-N 2 0 340.471 2.299 50 0 EEAARP Cc1cc(N2CCCN(C(=O)[C@H]3CCCCC[N@H+]3C)CC2)cc[nH+]1 ZINC000095356267 463067848 /nfs/dbraw/zinc/06/78/48/463067848.db2.gz BXIVZBLTISOEKT-GOSISDBHSA-N 2 0 330.476 2.303 50 0 EEAARP Cc1ccc([C@@H](O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000106842811 463541938 /nfs/dbraw/zinc/54/19/38/463541938.db2.gz TWNPZRUJXIKJFW-PXNSSMCTSA-N 2 0 334.504 2.361 50 0 EEAARP CC[N@@H+]1CCC[C@H]1CSc1nnc(C[NH3+])n1-c1ccc(OC)cc1 ZINC000426567137 682024948 /nfs/dbraw/zinc/02/49/48/682024948.db2.gz SUDUNYDHLJEPOE-AWEZNQCLSA-N 2 0 347.488 2.311 50 0 EEAARP C[C@@H](C1CC[NH+](Cc2cnn(C)c2C2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000077436497 203388877 /nfs/dbraw/zinc/38/88/77/203388877.db2.gz OZUAMBFUXSRFAL-INIZCTEOSA-N 2 0 345.535 2.145 50 0 EEAARP CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000426473564 536025256 /nfs/dbraw/zinc/02/52/56/536025256.db2.gz LHUFOGASILKYAN-LJQANCHMSA-N 2 0 344.503 2.244 50 0 EEAARP COCC[N@H+](C)C[C@@H]1CN(c2cc[nH+]c3ccc(C)cc32)C[C@@H]1CO ZINC000092001781 462917036 /nfs/dbraw/zinc/91/70/36/462917036.db2.gz QXHDJZGRVFWBTJ-IAGOWNOFSA-N 2 0 343.471 2.166 50 0 EEAARP C[NH+](C)C[C@H](O)COc1ccc(C[N@H+](C)C2CCSCC2)cc1 ZINC000095509207 463099117 /nfs/dbraw/zinc/09/91/17/463099117.db2.gz NEVHKWUMHQOZNK-KRWDZBQOSA-N 2 0 338.517 2.315 50 0 EEAARP CCCCN(Cc1ccncc1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072421099 463510983 /nfs/dbraw/zinc/51/09/83/463510983.db2.gz TYYFTBZHMCBAPI-SFHVURJKSA-N 2 0 344.503 2.284 50 0 EEAARP [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416896871 466752221 /nfs/dbraw/zinc/75/22/21/466752221.db2.gz PUEDEFCCRZIHFI-GOSISDBHSA-N 2 0 330.476 2.305 50 0 EEAARP COc1ccc(-n2c(C[NH3+])nnc2SC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000426361056 536552473 /nfs/dbraw/zinc/55/24/73/536552473.db2.gz CHXWRODKKAZFLB-OLZOCXBDSA-N 2 0 347.488 2.344 50 0 EEAARP COc1cccc(C[N@@H+]2CCC[C@H](O)CC2)c1OCCC[NH+](C)C ZINC000216299319 241180346 /nfs/dbraw/zinc/18/03/46/241180346.db2.gz CLBAZOCFYKRYGS-KRWDZBQOSA-N 2 0 336.476 2.373 50 0 EEAARP CC(C)[C@H]1CN(C(=O)C2([NH3+])CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071422343 203095170 /nfs/dbraw/zinc/09/51/70/203095170.db2.gz SNLIONVUSKYQKZ-QGZVFWFLSA-N 2 0 333.451 2.376 50 0 EEAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000072430672 203222788 /nfs/dbraw/zinc/22/27/88/203222788.db2.gz RVNARMHPSRUABH-MRXNPFEDSA-N 2 0 335.879 2.073 50 0 EEAARP C[NH+]1CCC2(CC1)CCCN(c1cc(C3CC([NH3+])C3)ncn1)CC2 ZINC000222521943 464131230 /nfs/dbraw/zinc/13/12/30/464131230.db2.gz JBRBURMYKZLCTL-UHFFFAOYSA-N 2 0 329.492 2.384 50 0 EEAARP CC[NH+]1CCN(CCOc2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000215376694 285316590 /nfs/dbraw/zinc/31/65/90/285316590.db2.gz DSWWFSRSKYFEQZ-UHFFFAOYSA-N 2 0 349.544 2.252 50 0 EEAARP COc1c2c(cc3c1[C@@H](Cc1cccc[n+]1C)[N@H+](C)CC3)OCO2 ZINC000020111806 277365554 /nfs/dbraw/zinc/36/55/54/277365554.db2.gz FYDXWRGQKHJSPC-OAHLLOKOSA-N 2 0 327.404 2.020 50 0 biogenic EEAARP Cc1cc(N2CCCN(C(=O)[C@@H]3CCCCC[N@H+]3C)CC2)cc[nH+]1 ZINC000095356266 463068894 /nfs/dbraw/zinc/06/88/94/463068894.db2.gz BXIVZBLTISOEKT-SFHVURJKSA-N 2 0 330.476 2.303 50 0 EEAARP C[NH+](C)CC1(CO)CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095501080 463096531 /nfs/dbraw/zinc/09/65/31/463096531.db2.gz ALIHMCPDKOMLEG-QGZVFWFLSA-N 2 0 332.488 2.264 50 0 EEAARP CCN(Cc1ccccc1)C(=O)CC[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534579020 468264153 /nfs/dbraw/zinc/26/41/53/468264153.db2.gz BHJVTPNSFGWIRW-QGFMHUBQSA-N 2 0 327.472 2.107 50 0 EEAARP COc1ccc(C[NH2+]CC2CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000014980060 1226385174 /nfs/dbraw/zinc/38/51/74/1226385174.db2.gz IUYUVGRYAUTFFV-KRWDZBQOSA-N 2 0 336.476 2.275 50 0 EEAARP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H]1[C@H](CCO)C2CCN1CC2 ZINC000090729508 1276722221 /nfs/dbraw/zinc/72/22/21/1276722221.db2.gz GQKINSNJXWWLPV-QXAKKESOSA-N 2 0 325.541 2.179 50 0 EEAARP C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000823764752 798764012 /nfs/dbraw/zinc/76/40/12/798764012.db2.gz CJUOJMNKBVMKIN-SFHVURJKSA-N 2 0 343.471 2.488 50 0 EEAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2c(CO)cnc(C)c2O)CC1 ZINC000067804500 215216220 /nfs/dbraw/zinc/21/62/20/215216220.db2.gz DWIAIEVAYIQXKN-UHFFFAOYSA-N 2 0 342.443 2.004 50 0 EEAARP Cc1ccc(N2CCC([N@H+]3C[C@H](CO)[C@H](C[NH+](C)C)C3)CC2)cc1 ZINC000092107401 218120649 /nfs/dbraw/zinc/12/06/49/218120649.db2.gz AHWZUVVCYYGSHR-QZTJIDSGSA-N 2 0 331.504 2.066 50 0 EEAARP Cc1cc(N2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)cc[nH+]1 ZINC000095357500 218290141 /nfs/dbraw/zinc/29/01/41/218290141.db2.gz DXZKYFMSQWUXDC-QGZVFWFLSA-N 2 0 330.476 2.303 50 0 EEAARP COc1cc2c(cc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000030664260 463307961 /nfs/dbraw/zinc/30/79/61/463307961.db2.gz JIPPUYRCOJZVRF-HNNXBMFYSA-N 2 0 347.503 2.134 50 0 EEAARP COCC[N@@H+]1CC[C@H](CNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000670452061 485648567 /nfs/dbraw/zinc/64/85/67/485648567.db2.gz MJJDUYIECIUGAK-OAHLLOKOSA-N 2 0 339.524 2.018 50 0 EEAARP CC[C@@H](C(=O)NC1CC[NH+](C2CCSCC2)CC1)[N@H+](C)CC ZINC000952975856 796119798 /nfs/dbraw/zinc/11/97/98/796119798.db2.gz LQONOHXJWFJNQJ-INIZCTEOSA-N 2 0 327.538 2.193 50 0 EEAARP C[N@@H+]1CCCCC[C@@H]1C(=O)NC1CC[NH+](C2CCSCC2)CC1 ZINC000952988951 796157645 /nfs/dbraw/zinc/15/76/45/796157645.db2.gz ARXANYXVLFCOSF-QGZVFWFLSA-N 2 0 339.549 2.337 50 0 EEAARP Nc1nc(NCC2([NH+]3CCCCC3)CCCC2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244873284 243091608 /nfs/dbraw/zinc/09/16/08/243091608.db2.gz WNIMBNNYCWXETO-GASCZTMLSA-N 2 0 344.507 2.474 50 0 EEAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C[NH2+]C)CC2)C1 ZINC000091694324 218049495 /nfs/dbraw/zinc/04/94/95/218049495.db2.gz UKHQQJWGZZZGJN-SFHVURJKSA-N 2 0 329.488 2.324 50 0 EEAARP Cc1ccc(N2CCC([N@@H+]3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC000091829979 218073351 /nfs/dbraw/zinc/07/33/51/218073351.db2.gz JXFPAEBZMCQKNT-PXNSSMCTSA-N 2 0 329.488 2.010 50 0 EEAARP C[NH2+][C@@H](C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1)c1ccccc1 ZINC000091965744 218095707 /nfs/dbraw/zinc/09/57/07/218095707.db2.gz CAHJRXOSJGFVDH-LJQANCHMSA-N 2 0 338.455 2.389 50 0 EEAARP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](C3CCSCC3)CC2)c1 ZINC000299766430 258081739 /nfs/dbraw/zinc/08/17/39/258081739.db2.gz JAEZMXCUNKDJLN-UHFFFAOYSA-N 2 0 347.528 2.402 50 0 EEAARP C[C@@H](C1CC[NH+](Cc2ccc(CC[NH3+])cc2)CC1)[NH+]1CCOCC1 ZINC000072476592 216254514 /nfs/dbraw/zinc/25/45/14/216254514.db2.gz SBICRFFRFBJEMY-KRWDZBQOSA-N 3 0 331.504 2.121 50 0 EEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1cc(C)no1)CC[NH+](C)CC2 ZINC000072475355 216252730 /nfs/dbraw/zinc/25/27/30/216252730.db2.gz CXUPQGACBUYMEM-QGZVFWFLSA-N 2 0 348.491 2.138 50 0 EEAARP CC[N@@H+]1CCC[C@H]1CSc1nnc(C[NH3+])n1Cc1ccccc1 ZINC000426711956 241331404 /nfs/dbraw/zinc/33/14/04/241331404.db2.gz BJILUABZQAGKIP-HNNXBMFYSA-N 2 0 331.489 2.362 50 0 EEAARP O[C@@H](C[NH2+]C1CCCCC1)CSC[C@@H](O)C[NH2+]C1CCCCC1 ZINC000004989801 210351912 /nfs/dbraw/zinc/35/19/12/210351912.db2.gz YSQRUZNODPSLEX-ROUUACIJSA-N 2 0 344.565 2.286 50 0 EEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N1CCn3cccc3C1)CC[NH+](C)CC2 ZINC000072409958 276257154 /nfs/dbraw/zinc/25/71/54/276257154.db2.gz AOHYXCATAYLLDN-GOSISDBHSA-N 2 0 344.503 2.027 50 0 EEAARP CSCCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000012704798 462863296 /nfs/dbraw/zinc/86/32/96/462863296.db2.gz DOBSPISSVHXDIP-HNNXBMFYSA-N 2 0 339.549 2.195 50 0 EEAARP COC[C@@H]1CCC[N@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000252499410 464970938 /nfs/dbraw/zinc/97/09/38/464970938.db2.gz SAFFEYZLWPYYEO-HXUWFJFHSA-N 2 0 331.504 2.163 50 0 EEAARP C[NH+](C)C[C@]12C[NH2+]C[C@@H]1CN(c1ccnc3cc(Cl)ccc31)C2 ZINC001772704627 1179288982 /nfs/dbraw/zinc/28/89/82/1179288982.db2.gz OGYPAUJDBXDSSY-ACJLOTCBSA-N 2 0 330.863 2.476 50 0 EEAARP c1coc(C[NH+]2CCC(N3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC001506426550 1114603546 /nfs/dbraw/zinc/60/35/46/1114603546.db2.gz PHTDZQMXWUPGFQ-UHFFFAOYSA-N 2 0 326.444 2.461 50 0 EEAARP CCCSc1ncc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)CC2)cn1 ZINC000072151087 216039760 /nfs/dbraw/zinc/03/97/60/216039760.db2.gz GHVUHWGHLOLMRU-QGZVFWFLSA-N 2 0 338.521 2.257 50 0 EEAARP C[C@H](C1CC[NH+](Cc2cccc(OCC(N)=O)c2)CC1)[NH+]1CCCC1 ZINC000072429972 216222755 /nfs/dbraw/zinc/22/27/55/216222755.db2.gz WNHXZJHTDSEACM-MRXNPFEDSA-N 2 0 345.487 2.247 50 0 EEAARP COc1cccc(CN2C[C@H]3CC[C@@H]2C[N@H+](C)C3)c1OCC[NH+](C)C ZINC000091650762 218039888 /nfs/dbraw/zinc/03/98/88/218039888.db2.gz CVOSAPHNWPMSIT-FUHWJXTLSA-N 2 0 347.503 2.162 50 0 EEAARP O[C@H](C[NH2+]C1CCCCC1)CSC[C@H](O)C[NH2+]C1CCCCC1 ZINC000004989800 210350691 /nfs/dbraw/zinc/35/06/91/210350691.db2.gz YSQRUZNODPSLEX-QZTJIDSGSA-N 2 0 344.565 2.286 50 0 EEAARP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC([NH+]2CCCCCC2)CC1 ZINC000299780594 258089449 /nfs/dbraw/zinc/08/94/49/258089449.db2.gz KKHFXNKVOPPJOY-IBGZPJMESA-N 2 0 345.487 2.129 50 0 EEAARP CN1c2ccccc2C2(CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000072145318 277060150 /nfs/dbraw/zinc/06/01/50/277060150.db2.gz RLMKSKFMHLRVSP-MRXNPFEDSA-N 2 0 327.472 2.481 50 0 EEAARP O=C1OC2(CN1CCc1ccccc1)CC[NH+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000077541314 463003477 /nfs/dbraw/zinc/00/34/77/463003477.db2.gz YPCVMIUXAGPJFF-GOSISDBHSA-N 2 0 343.471 2.125 50 0 EEAARP C[N@H+](Cc1ccccc1)C1(C(=O)N2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000072124049 463482811 /nfs/dbraw/zinc/48/28/11/463482811.db2.gz GBNWNZLMKPXZEY-UHFFFAOYSA-N 2 0 349.478 2.088 50 0 EEAARP [NH3+]C1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)CCCC1 ZINC000067818029 215220327 /nfs/dbraw/zinc/22/03/27/215220327.db2.gz VQBTVNWZYSVOCC-HNNXBMFYSA-N 2 0 333.451 2.425 50 0 EEAARP C[C@H](C[N@H+]1CCC(=O)N(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000299755872 258074084 /nfs/dbraw/zinc/07/40/84/258074084.db2.gz DUGGLJPGBBGISZ-GOSISDBHSA-N 2 0 329.488 2.420 50 0 EEAARP CC(C)[NH+]1CCC(C[N@@H+]2CCN(Cc3ccco3)[C@@H](CCO)C2)CC1 ZINC000105984250 463501761 /nfs/dbraw/zinc/50/17/61/463501761.db2.gz XDILVTJSHQXKPC-IBGZPJMESA-N 2 0 349.519 2.269 50 0 EEAARP [NH3+]C1CC[NH+](C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000063855928 793924482 /nfs/dbraw/zinc/92/44/82/793924482.db2.gz FEHDWVKUZUGFQH-UHFFFAOYSA-N 2 0 325.460 2.264 50 0 EEAARP COCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2F)C1 ZINC000011771454 798419463 /nfs/dbraw/zinc/41/94/63/798419463.db2.gz GHVPHPWIVLIQDH-OAHLLOKOSA-N 2 0 346.450 2.284 50 0 EEAARP COc1ccc(C[NH2+]CC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004539322 210216021 /nfs/dbraw/zinc/21/60/21/210216021.db2.gz XHIDEXZXYXIKAG-ZRGWGRIASA-N 2 0 336.476 2.275 50 0 EEAARP CC1(C)Cc2cccc(C[NH+]3CCC(n4cc(C[NH3+])nn4)CC3)c2O1 ZINC000023506454 212381312 /nfs/dbraw/zinc/38/13/12/212381312.db2.gz CENJOKHJDUIDHY-UHFFFAOYSA-N 2 0 341.459 2.287 50 0 EEAARP C[NH2+]CCCC[NH2+]C1CCN(c2ccc(-n3ccnc3)cc2)CC1 ZINC000063884092 462680739 /nfs/dbraw/zinc/68/07/39/462680739.db2.gz ZCGQISAUDYEPKO-UHFFFAOYSA-N 2 0 327.476 2.430 50 0 EEAARP C[N@@H+]1CC[C@@](C)(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000584886509 468954909 /nfs/dbraw/zinc/95/49/09/468954909.db2.gz ZXJHCRFHBFFJQJ-LJQANCHMSA-N 2 0 329.488 2.108 50 0 EEAARP Cc1cc[nH+]c(NCCNC(=O)C2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000072141672 216027736 /nfs/dbraw/zinc/02/77/36/216027736.db2.gz XHWZJYBHBAZGGF-UHFFFAOYSA-N 2 0 338.455 2.017 50 0 EEAARP Cc1cc(F)ccc1N1CCC([N@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)CC1 ZINC000091871662 218080467 /nfs/dbraw/zinc/08/04/67/218080467.db2.gz RFLMVHFWGBHLKB-IAGOWNOFSA-N 2 0 349.494 2.205 50 0 EEAARP O[C@H](COc1ccccc1C[N@@H+]1CCCOCC1)C[NH+]1CCCCC1 ZINC000095516541 463100425 /nfs/dbraw/zinc/10/04/25/463100425.db2.gz NWHNJAZSVVZNPV-IBGZPJMESA-N 2 0 348.487 2.135 50 0 EEAARP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000030664454 463308520 /nfs/dbraw/zinc/30/85/20/463308520.db2.gz CSKGWUUTDBFEHS-UHFFFAOYSA-N 2 0 333.505 2.254 50 0 EEAARP CN(C)c1nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(C2CC([NH3+])C2)n1 ZINC000220372356 464116382 /nfs/dbraw/zinc/11/63/82/464116382.db2.gz LAWXGDXLAWHKFA-UHFFFAOYSA-N 2 0 346.523 2.468 50 0 EEAARP [NH3+]C[C@@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416896873 466751628 /nfs/dbraw/zinc/75/16/28/466751628.db2.gz PUEDEFCCRZIHFI-SFHVURJKSA-N 2 0 330.476 2.305 50 0 EEAARP C[NH+](C)[C@@H]1CCN(CC(=O)Nc2ccccc2C[NH+]2CCCCC2)C1 ZINC000828075208 800586443 /nfs/dbraw/zinc/58/64/43/800586443.db2.gz WLVLPMLSJSPPIA-GOSISDBHSA-N 2 0 344.503 2.247 50 0 EEAARP O=C(C[NH+]1CCCCCC1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC001529152833 1121343115 /nfs/dbraw/zinc/34/31/15/1121343115.db2.gz YXCMFRUVZRXYTR-UHFFFAOYSA-N 2 0 339.549 2.292 50 0 EEAARP COc1ccc2cc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)c(=O)[nH]c2c1 ZINC000067712693 215191138 /nfs/dbraw/zinc/19/11/38/215191138.db2.gz IQPTYOSEVXSWAU-AWEZNQCLSA-N 2 0 329.444 2.310 50 0 EEAARP O=C(NCc1cc(Cl)cc(Cl)c1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072167575 216057050 /nfs/dbraw/zinc/05/70/50/216057050.db2.gz GQTCONYQUMZOLH-AWEZNQCLSA-N 2 0 342.270 2.341 50 0 EEAARP COc1cc(NC(=O)CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(OC)c1 ZINC000244707885 243063462 /nfs/dbraw/zinc/06/34/62/243063462.db2.gz KJKJADKWXIUUNW-LJQANCHMSA-N 2 0 347.459 2.108 50 0 EEAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CC[NH3+])CC2)C1 ZINC000091526774 218018238 /nfs/dbraw/zinc/01/82/38/218018238.db2.gz VYRZUYOHXKPEPC-GOSISDBHSA-N 2 0 329.488 2.453 50 0 EEAARP CC[N@@H+]1CCC[C@H]1CNC(=O)C1(Oc2ccc(C)cc2)CC[NH2+]CC1 ZINC000065407873 279332138 /nfs/dbraw/zinc/33/21/38/279332138.db2.gz SAWJXRPYUOAIOT-KRWDZBQOSA-N 2 0 345.487 2.097 50 0 EEAARP C[NH+](C)C[C@@]12C[NH2+]C[C@H]1CN(c1ccnc3cc(Cl)ccc31)C2 ZINC001772704632 1179288879 /nfs/dbraw/zinc/28/88/79/1179288879.db2.gz OGYPAUJDBXDSSY-SCLBCKFNSA-N 2 0 330.863 2.476 50 0 EEAARP O[C@H]1CCCC[C@@H]1N1CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067650088 1249879401 /nfs/dbraw/zinc/87/94/01/1249879401.db2.gz DFMWIAKKZGSHQB-OALUTQOASA-N 2 0 335.536 2.220 50 0 EEAARP CCc1nccn1C[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC001772807651 1410368588 /nfs/dbraw/zinc/36/85/88/1410368588.db2.gz QOGGAHJKOCAOJR-MRXNPFEDSA-N 2 0 341.459 2.077 50 0 EEAARP COCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000952980729 796128592 /nfs/dbraw/zinc/12/85/92/796128592.db2.gz KTIJSIKISAQILS-CYBMUJFWSA-N 2 0 328.359 2.066 50 0 EEAARP CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012072868 799750946 /nfs/dbraw/zinc/75/09/46/799750946.db2.gz LEOBIPWMWXSFNA-SFHVURJKSA-N 2 0 329.488 2.451 50 0 EEAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccccc2Cn2cccn2)CC1 ZINC000072134526 216023227 /nfs/dbraw/zinc/02/32/27/216023227.db2.gz HMLQUIJHLWLIQA-HXUWFJFHSA-N 2 0 342.487 2.210 50 0 EEAARP COc1c(F)cccc1C[NH+]1CCC2(CC1)C[N@H+](C)CCCN2C ZINC000216520450 241198680 /nfs/dbraw/zinc/19/86/80/241198680.db2.gz GGAGKUBERCBQEX-UHFFFAOYSA-N 2 0 335.467 2.436 50 0 EEAARP O=C(NCC[NH+]1CCC(c2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000299766483 258081253 /nfs/dbraw/zinc/08/12/53/258081253.db2.gz DMEOFQSPGINOPB-LJQANCHMSA-N 2 0 329.488 2.372 50 0 EEAARP Cc1nnsc1C[N@@H+](C)CC1(c2ccc(C)cn2)CC[NH2+]CC1 ZINC000065398966 462763870 /nfs/dbraw/zinc/76/38/70/462763870.db2.gz WCTNSDVSVPHPPA-UHFFFAOYSA-N 2 0 331.489 2.303 50 0 EEAARP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)c2ccccc2)C1 ZINC000016699589 462988309 /nfs/dbraw/zinc/98/83/09/462988309.db2.gz XSQZGSUVIZIZAX-PKOBYXMFSA-N 2 0 347.503 2.152 50 0 EEAARP Cc1cc2c(ncnc2N2CCC([N@@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)CC2)s1 ZINC000096148268 463186061 /nfs/dbraw/zinc/18/60/61/463186061.db2.gz PXRITKKCVUMJIH-XJKSGUPXSA-N 2 0 343.500 2.262 50 0 EEAARP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000244899434 464464546 /nfs/dbraw/zinc/46/45/46/464464546.db2.gz ZJYDFOFVDUUEMX-QGZVFWFLSA-N 2 0 330.476 2.303 50 0 EEAARP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000244899433 464464627 /nfs/dbraw/zinc/46/46/27/464464627.db2.gz ZJYDFOFVDUUEMX-KRWDZBQOSA-N 2 0 330.476 2.303 50 0 EEAARP C[N@H+](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC001506403620 1114597078 /nfs/dbraw/zinc/59/70/78/1114597078.db2.gz CRMZLCAGHIQMSQ-UHFFFAOYSA-N 2 0 330.476 2.289 50 0 EEAARP Cc1cc(CN2CCCC[C@H]2C[NH3+])c(C)c(C[NH+]2CCN(C)CC2)c1 ZINC000215467724 241128428 /nfs/dbraw/zinc/12/84/28/241128428.db2.gz IMKOFFAFDUDTPH-NRFANRHFSA-N 2 0 344.547 2.364 50 0 EEAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cnc(N)nc3)CC2)o1 ZINC000012315332 211344185 /nfs/dbraw/zinc/34/41/85/211344185.db2.gz LDORFEKIOHFJBY-UHFFFAOYSA-N 2 0 329.448 2.304 50 0 EEAARP [NH3+]CCc1cccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000091745193 218056746 /nfs/dbraw/zinc/05/67/46/218056746.db2.gz KVKHYDVIXBZALS-NHCUHLMSSA-N 3 0 345.531 2.104 50 0 EEAARP CNC(=O)C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095353938 218288191 /nfs/dbraw/zinc/28/81/91/218288191.db2.gz HWEAYAAHUJUUQP-GOSISDBHSA-N 2 0 341.499 2.467 50 0 EEAARP O=C(NCC[NH+]1CCC(c2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000299766481 258081749 /nfs/dbraw/zinc/08/17/49/258081749.db2.gz DMEOFQSPGINOPB-IBGZPJMESA-N 2 0 329.488 2.372 50 0 EEAARP CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(Cc3cccc(F)c3)C2)CC1 ZINC000015065084 462939800 /nfs/dbraw/zinc/93/98/00/462939800.db2.gz HLPGWAKJLFHXIU-SFHVURJKSA-N 2 0 333.451 2.391 50 0 EEAARP Cc1cccn2c(=O)c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c(Cl)nc12 ZINC000067447127 463006722 /nfs/dbraw/zinc/00/67/22/463006722.db2.gz HYYXRWOCDXBMIA-UHFFFAOYSA-N 2 0 346.862 2.232 50 0 EEAARP C[C@@H](CCO)C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000585136972 468987295 /nfs/dbraw/zinc/98/72/95/468987295.db2.gz ARRVWEABLFHYRV-NSHDSACASA-N 2 0 330.375 2.178 50 0 EEAARP C[NH+](C)C[C@@]12C[NH2+]C[C@@H]1CN(c1ccnc3cc(Cl)ccc31)C2 ZINC001772704631 1179288910 /nfs/dbraw/zinc/28/89/10/1179288910.db2.gz OGYPAUJDBXDSSY-FZKQIMNGSA-N 2 0 330.863 2.476 50 0 EEAARP C([C@H]1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1)N1CCOCC1 ZINC000067805115 215218327 /nfs/dbraw/zinc/21/83/27/215218327.db2.gz DBJURIYCSQNFLU-GOSISDBHSA-N 2 0 335.536 2.343 50 0 EEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cc(CC)no1)CC[NH+](C)CC2 ZINC000072431294 216223293 /nfs/dbraw/zinc/22/32/93/216223293.db2.gz MMJRUESIDULFOU-QGZVFWFLSA-N 2 0 348.491 2.050 50 0 EEAARP [NH3+]C1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)CC1 ZINC000426661278 241322990 /nfs/dbraw/zinc/32/29/90/241322990.db2.gz ORMSAVZIYOOYRJ-KRWDZBQOSA-N 2 0 334.439 2.095 50 0 EEAARP CCC[NH+](CCC)C1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000219186288 241370489 /nfs/dbraw/zinc/37/04/89/241370489.db2.gz LNGDPZZMSMQWBT-UHFFFAOYSA-N 2 0 346.523 2.354 50 0 EEAARP CN(CCC[NH+]1CCCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000020996061 212196599 /nfs/dbraw/zinc/19/65/99/212196599.db2.gz DPBCNGPPVXSCLC-UXHICEINSA-N 2 0 343.515 2.141 50 0 EEAARP CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)C[NH+]1CCCC1 ZINC000077288148 462963829 /nfs/dbraw/zinc/96/38/29/462963829.db2.gz PDWDFZRFTSHARO-UHFFFAOYSA-N 2 0 329.488 2.453 50 0 EEAARP Clc1cccc(N2CC[NH+](CCCN3CC[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000077458514 462989464 /nfs/dbraw/zinc/98/94/64/462989464.db2.gz PDEAKNBLBQHSJH-QFBILLFUSA-N 2 0 348.922 2.146 50 0 EEAARP CCC(CC)[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000096441181 463267222 /nfs/dbraw/zinc/26/72/22/463267222.db2.gz GXBSRBDJAQAGBE-LJQANCHMSA-N 2 0 325.541 2.416 50 0 EEAARP CCCC[NH+]1CCC(Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072406797 216197039 /nfs/dbraw/zinc/19/70/39/216197039.db2.gz VZNVUERWOYMCHB-UHFFFAOYSA-N 2 0 342.491 2.362 50 0 EEAARP Cc1c[nH+]ccc1N1CCN(C(=O)CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000095386066 218317889 /nfs/dbraw/zinc/31/78/89/218317889.db2.gz PAWQKAOFBAYAIY-QGZVFWFLSA-N 2 0 330.476 2.161 50 0 EEAARP C[C@@H]1C[N@H+]([C@@H]2c3ccccc3C3(CC[NH+](C)CC3)[C@H]2O)C[C@H](C)O1 ZINC000020202883 288250935 /nfs/dbraw/zinc/25/09/35/288250935.db2.gz OPLNASKRORCZAJ-OHQAAIJDSA-N 2 0 330.472 2.175 50 0 EEAARP C1CSCCSCC[NH2+]CCSCCSCC[NH2+]1 ZINC000005226988 462651265 /nfs/dbraw/zinc/65/12/65/462651265.db2.gz HDQRZGDWLMSBSD-UHFFFAOYSA-N 2 0 326.622 2.112 50 0 EEAARP C[N@H+](Cc1ccccc1)C1CCN(c2cc(CC[NH3+])ncn2)CC1 ZINC000067775012 463049190 /nfs/dbraw/zinc/04/91/90/463049190.db2.gz WLHMSKKYLBUSSJ-UHFFFAOYSA-N 2 0 325.460 2.079 50 0 EEAARP CN1CC[NH+](CCCC[NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000030919241 463317112 /nfs/dbraw/zinc/31/71/12/463317112.db2.gz LTGSLHIWLWHCBG-UHFFFAOYSA-N 2 0 333.505 2.255 50 0 EEAARP CN1C[C@@]2(CCC[N@H+](Cc3cccc(OCC[NH+](C)C)c3)C2)OC1=O ZINC000072429280 463510946 /nfs/dbraw/zinc/51/09/46/463510946.db2.gz AEDTYMNXAWEGJO-LJQANCHMSA-N 2 0 347.459 2.044 50 0 EEAARP Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000670445116 485644484 /nfs/dbraw/zinc/64/44/84/485644484.db2.gz TVVPOTJADIMKSN-IBGZPJMESA-N 2 0 338.455 2.005 50 0 EEAARP CCn1ccnc1CN(C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023581594 681753821 /nfs/dbraw/zinc/75/38/21/681753821.db2.gz SSQLQWMAZXBSFA-MOPGFXCFSA-N 2 0 340.471 2.072 50 0 EEAARP O[C@H]1COC2(C1)CC[NH+](Cc1ccc(C[NH+]3CCCC3)s1)CC2 ZINC000097717413 219050191 /nfs/dbraw/zinc/05/01/91/219050191.db2.gz HJHRIABYHWZOTH-OAHLLOKOSA-N 2 0 336.501 2.460 50 0 EEAARP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000091725109 218055065 /nfs/dbraw/zinc/05/50/65/218055065.db2.gz GNFARBXBBWVCGF-MSOLQXFVSA-N 2 0 330.428 2.124 50 0 EEAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CC(=O)NC)CC2)C1 ZINC000091997878 218101658 /nfs/dbraw/zinc/10/16/58/218101658.db2.gz YDZUQRMWCGIAHO-GOSISDBHSA-N 2 0 329.488 2.324 50 0 EEAARP [NH2+]=c1ccn(Cc2nc3ccccc3nc2Cn2ccc(=[NH2+])cc2)cc1 ZINC000334157435 258005047 /nfs/dbraw/zinc/00/50/47/258005047.db2.gz GAMGTCUZMIPHSS-UHFFFAOYSA-N 2 0 342.406 2.288 50 0 EEAARP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000012630932 462860588 /nfs/dbraw/zinc/86/05/88/462860588.db2.gz CHZKESYTDMNXPR-UHFFFAOYSA-N 2 0 347.503 2.308 50 0 EEAARP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCc3ccccc3)C2)[nH+]1 ZINC000097200849 463345195 /nfs/dbraw/zinc/34/51/95/463345195.db2.gz GVKBVPLOFFZNMJ-SFHVURJKSA-N 2 0 338.455 2.440 50 0 EEAARP COc1cccc(N2CCC([NH2+]CCNc3cc[nH+]cc3C)CC2)c1 ZINC000824782245 800290916 /nfs/dbraw/zinc/29/09/16/800290916.db2.gz YRJQIHFNAFSPCB-UHFFFAOYSA-N 2 0 340.471 2.491 50 0 EEAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000072148861 216036691 /nfs/dbraw/zinc/03/66/91/216036691.db2.gz FJTUNANIESSOJF-LJQANCHMSA-N 2 0 328.460 2.151 50 0 EEAARP C[NH+](C)CCOc1ccccc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000215263472 241114516 /nfs/dbraw/zinc/11/45/16/241114516.db2.gz AODDRURDARLGCJ-UHFFFAOYSA-N 2 0 340.471 2.344 50 0 EEAARP Cc1cc(CN2CCCC[C@@H]2C[NH3+])c(C)c(C[NH+]2CCN(C)CC2)c1 ZINC000215467673 241129866 /nfs/dbraw/zinc/12/98/66/241129866.db2.gz IMKOFFAFDUDTPH-OAQYLSRUSA-N 2 0 344.547 2.364 50 0 EEAARP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[NH+]1CCCCC1 ZINC000079495161 217234421 /nfs/dbraw/zinc/23/44/21/217234421.db2.gz HEQHAPBPTBYRPQ-UHFFFAOYSA-N 2 0 333.476 2.453 50 0 EEAARP Cc1cc(N2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)cc[nH+]1 ZINC000095357499 218290438 /nfs/dbraw/zinc/29/04/38/218290438.db2.gz DXZKYFMSQWUXDC-KRWDZBQOSA-N 2 0 330.476 2.303 50 0 EEAARP COc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1OC ZINC000002489750 462594281 /nfs/dbraw/zinc/59/42/81/462594281.db2.gz RYUVRWWMGRWMNA-UHFFFAOYSA-N 2 0 337.508 2.409 50 0 EEAARP C[C@H]1C[N@H+](C)CCCN1C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000222267860 464127396 /nfs/dbraw/zinc/12/73/96/464127396.db2.gz ZKHCSTZLSULAEB-KRWDZBQOSA-N 2 0 329.488 2.419 50 0 EEAARP COc1ccc(OCCC[N@@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)cc1 ZINC000252493389 464967684 /nfs/dbraw/zinc/96/76/84/464967684.db2.gz NBDJXBNJVXEUAA-UHFFFAOYSA-N 2 0 347.503 2.224 50 0 EEAARP CO[C@]12CC[N@H+](Cc3cccc(OCC[NH+](C)C)c3)[C@H]1C[C@@H](O)CC2 ZINC000299770238 465885681 /nfs/dbraw/zinc/88/56/81/465885681.db2.gz OHMAQQRZMMSPGQ-YSIASYRMSA-N 2 0 348.487 2.131 50 0 EEAARP Cc1nc(NCC[N@@H+]2CCc3ccccc3C2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244601837 243045558 /nfs/dbraw/zinc/04/55/58/243045558.db2.gz DSPFZRNHESCAKG-HDICACEKSA-N 2 0 337.471 2.460 50 0 EEAARP [NH3+][C@H]1C[C@H](c2cc(N3CCC[N@@H+]4CCC[C@H]4C3)nc(C3CC3)n2)C1 ZINC000244647048 243049314 /nfs/dbraw/zinc/04/93/14/243049314.db2.gz GUEDIUALXAXCAO-JYJNAYRXSA-N 2 0 327.476 2.233 50 0 EEAARP C[NH+]1CCC(Oc2ccc(NC(=O)N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000095527912 463104906 /nfs/dbraw/zinc/10/49/06/463104906.db2.gz REEDUWJQRSJNKM-UHFFFAOYSA-N 2 0 346.475 2.329 50 0 EEAARP O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128866 463414065 /nfs/dbraw/zinc/41/40/65/463414065.db2.gz PTUBRQULADFNSG-KRWDZBQOSA-N 2 0 330.476 2.290 50 0 EEAARP COCC[NH+]1CCC(C[NH+]2CCN(Cc3cccc(C)c3)CC2)CC1 ZINC000072172849 216063303 /nfs/dbraw/zinc/06/33/03/216063303.db2.gz VCQOCCNPJBMDNN-UHFFFAOYSA-N 2 0 345.531 2.471 50 0 EEAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]C2CCC2)ccc1OC ZINC000012314482 211344789 /nfs/dbraw/zinc/34/47/89/211344789.db2.gz JOBOZZJWMLVJBF-KRWDZBQOSA-N 2 0 336.476 2.419 50 0 EEAARP CC[N@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](CCc1ccccc1)C2 ZINC000426471341 276068953 /nfs/dbraw/zinc/06/89/53/276068953.db2.gz JVJPREPNXGTIQS-OAQYLSRUSA-N 2 0 343.515 2.495 50 0 EEAARP O[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C[NH+]3CCCC3)s1)CC2 ZINC000097717411 219050611 /nfs/dbraw/zinc/05/06/11/219050611.db2.gz HJHRIABYHWZOTH-HNNXBMFYSA-N 2 0 336.501 2.460 50 0 EEAARP C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000012450702 211386311 /nfs/dbraw/zinc/38/63/11/211386311.db2.gz YSJZJXSMQATXFW-IBGZPJMESA-N 2 0 341.499 2.453 50 0 EEAARP CC(C)(C)NC(=O)COc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434670 211172173 /nfs/dbraw/zinc/17/21/73/211172173.db2.gz XEEZYEMEQCSIQE-UHFFFAOYSA-N 2 0 333.476 2.069 50 0 EEAARP Cc1cc(N2CCC([NH2+]CCCC[C@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000095385258 218317159 /nfs/dbraw/zinc/31/71/59/218317159.db2.gz NMSOLTCWNQIIJZ-INIZCTEOSA-N 2 0 333.480 2.275 50 0 EEAARP COc1c2c(cc3c1[C@H](Cc1cccc[n+]1C)[N@H+](C)CC3)OCO2 ZINC000020111804 463024219 /nfs/dbraw/zinc/02/42/19/463024219.db2.gz FYDXWRGQKHJSPC-HNNXBMFYSA-N 2 0 327.404 2.020 50 0 biogenic EEAARP Nc1nc([C@H]2CCOC2)cc(N2CCC[N@@H+](C3CCCCC3)CC2)n1 ZINC000426582867 467144158 /nfs/dbraw/zinc/14/41/58/467144158.db2.gz RMGRUMNEMXUFNI-HNNXBMFYSA-N 2 0 345.491 2.408 50 0 EEAARP C[N@@H+]1CC[C@](C)(C(=O)NCC2CC[NH+](CCCCCF)CC2)C1 ZINC000952874188 796058864 /nfs/dbraw/zinc/05/88/64/796058864.db2.gz YHYYVABLKXWATN-SFHVURJKSA-N 2 0 327.488 2.296 50 0 EEAARP c1ccc(CCC[N@@H+]2C[C@@H]3CC[C@H](C2)N(C[C@H]2[C@@H]4C[NH2+]C[C@H]24)C3)cc1 ZINC000101736973 219159650 /nfs/dbraw/zinc/15/96/50/219159650.db2.gz ABMXXWWLKKJNMC-MLBCHFTJSA-N 2 0 339.527 2.481 50 0 EEAARP COc1ccc(-n2ccnc2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067981886 215265068 /nfs/dbraw/zinc/26/50/68/215265068.db2.gz KONKGIYSXWAUGH-UHFFFAOYSA-N 2 0 326.444 2.456 50 0 EEAARP CC[NH+](CC)CCC[C@H](C)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426549050 241309722 /nfs/dbraw/zinc/30/97/22/241309722.db2.gz DGZGEQDAJCAMRS-KRWDZBQOSA-N 2 0 347.507 2.424 50 0 EEAARP CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000299800828 258104351 /nfs/dbraw/zinc/10/43/51/258104351.db2.gz VXFZDJPPPYJXII-KRWDZBQOSA-N 2 0 345.487 2.249 50 0 EEAARP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccc2c[nH+]cn2c1 ZINC000423495946 466758222 /nfs/dbraw/zinc/75/82/22/466758222.db2.gz FUWICNLAROQVAL-ROUUACIJSA-N 2 0 338.386 2.349 50 0 EEAARP C[N@@H+]1CC[C@@](C)(C(=O)NCC2CC[NH+](CCCCCF)CC2)C1 ZINC000952874183 796058880 /nfs/dbraw/zinc/05/88/80/796058880.db2.gz YHYYVABLKXWATN-GOSISDBHSA-N 2 0 327.488 2.296 50 0 EEAARP C(CC12CCC[NH+]1CCC2)Nc1nc(C2CC2)nc2c1CC[NH2+]CC2 ZINC000072407018 216198516 /nfs/dbraw/zinc/19/85/16/216198516.db2.gz DFJOQLXEOXTGJK-UHFFFAOYSA-N 2 0 341.503 2.473 50 0 EEAARP CC[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)[C@H]1COC[C@@H]1O ZINC000216308792 241181440 /nfs/dbraw/zinc/18/14/40/241181440.db2.gz ZOBADHZXCMRTFO-PMACEKPBSA-N 2 0 348.487 2.133 50 0 EEAARP Cc1cc(C)nc(N2CCC([NH2+]CCNc3cc[nH+]cc3C)CC2)n1 ZINC000095359514 218293088 /nfs/dbraw/zinc/29/30/88/218293088.db2.gz OIYMUPNQAWMIOQ-UHFFFAOYSA-N 2 0 340.475 2.467 50 0 EEAARP CO[C@]12CC[N@H+](Cc3ccccc3OCC[NH+](C)C)[C@H]1C[C@H](O)CC2 ZINC000299802248 258104804 /nfs/dbraw/zinc/10/48/04/258104804.db2.gz ZLCYSSYLDJEMEH-YZGWKJHDSA-N 2 0 348.487 2.131 50 0 EEAARP COCc1cc(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)ccc1OC ZINC000215993391 258072351 /nfs/dbraw/zinc/07/23/51/258072351.db2.gz UOMDYBICWYIGQN-UHFFFAOYSA-N 2 0 348.487 2.264 50 0 EEAARP Cc1c[nH+]ccc1N1CCCN(c2cc([C@H]3C[C@H]([NH3+])C3)ncn2)CC1 ZINC000244659824 279027386 /nfs/dbraw/zinc/02/73/86/279027386.db2.gz HJLYSUYGCCDRCD-WKILWMFISA-N 2 0 338.459 2.101 50 0 EEAARP OC1(C[NH+]2CCCC2)CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067783936 285235849 /nfs/dbraw/zinc/23/58/49/285235849.db2.gz YIXJTIQCDPFYLZ-UHFFFAOYSA-N 3 0 335.536 2.222 50 0 EEAARP Cc1[nH+]c(N(C)C)nc(N2CCC[N@H+](Cc3ccccn3)CC2)c1C ZINC000065428802 462770285 /nfs/dbraw/zinc/77/02/85/462770285.db2.gz JOYJTBMXHCDKSV-UHFFFAOYSA-N 2 0 340.475 2.267 50 0 EEAARP CC1CC[NH+](CCCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000054377659 463232417 /nfs/dbraw/zinc/23/24/17/463232417.db2.gz DEWWPFXBOSKZKZ-UHFFFAOYSA-N 2 0 345.491 2.035 50 0 EEAARP CCc1nc2c(c(N(C)CC)n1)CC[N@H+](C[C@H]1CC[C@@H]([NH3+])CC1)CC2 ZINC000244774266 464462179 /nfs/dbraw/zinc/46/21/79/464462179.db2.gz PQXOZXPZHIPMGN-IYBDPMFKSA-N 2 0 345.535 2.413 50 0 EEAARP OC1(C[NH+]2CCCC2)CC[NH+]([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001506407062 1114598343 /nfs/dbraw/zinc/59/83/43/1114598343.db2.gz LWIOCQBGIVLOAR-LJQANCHMSA-N 2 0 329.488 2.188 50 0 EEAARP Cc1cccc(C[NH+]2CCC(C(=O)NC3CC[NH+](C)CC3)CC2)c1 ZINC000067629440 215170114 /nfs/dbraw/zinc/17/01/14/215170114.db2.gz WPNDJIYXWZTPMR-UHFFFAOYSA-N 2 0 329.488 2.417 50 0 EEAARP COc1ccccc1-n1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000067867243 215234169 /nfs/dbraw/zinc/23/41/69/215234169.db2.gz ASAHLKDRRRUFHQ-UHFFFAOYSA-N 2 0 326.444 2.456 50 0 EEAARP Cc1c[nH+]ccc1-n1nc(-c2ccccc2)nc1C[C@@H]1C[NH2+]CCO1 ZINC000067910391 215248884 /nfs/dbraw/zinc/24/88/84/215248884.db2.gz SFOSHKAIJYBTJJ-MRXNPFEDSA-N 2 0 335.411 2.169 50 0 EEAARP CC(C)/C=C/C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039421033 213236872 /nfs/dbraw/zinc/23/68/72/213236872.db2.gz LZMXSOALLRJLGK-RRFGBZISSA-N 2 0 337.552 2.440 50 0 EEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1cc(C)ccn1)CC[NH+](C)CC2 ZINC000072428203 216219654 /nfs/dbraw/zinc/21/96/54/216219654.db2.gz ABJNYKCBYWGHPJ-SFHVURJKSA-N 2 0 344.503 2.203 50 0 EEAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CC(=O)NC)CC2)C1 ZINC000091997879 218101564 /nfs/dbraw/zinc/10/15/64/218101564.db2.gz YDZUQRMWCGIAHO-SFHVURJKSA-N 2 0 329.488 2.324 50 0 EEAARP Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095370264 218303061 /nfs/dbraw/zinc/30/30/61/218303061.db2.gz QMUBFRLSAIHMAV-INIZCTEOSA-N 2 0 342.443 2.423 50 0 EEAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000106907713 463548591 /nfs/dbraw/zinc/54/85/91/463548591.db2.gz MLYXPVVKYUHWFN-SCLBCKFNSA-N 2 0 342.430 2.023 50 0 EEAARP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000107515564 463572688 /nfs/dbraw/zinc/57/26/88/463572688.db2.gz LXUMZYVTMPEVCS-MDNKFWRPSA-N 2 0 329.488 2.275 50 0 EEAARP COC[C@H]1CCC[N@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000252499409 464970716 /nfs/dbraw/zinc/97/07/16/464970716.db2.gz SAFFEYZLWPYYEO-FQEVSTJZSA-N 2 0 331.504 2.163 50 0 EEAARP C[NH+](C)[C@@H](CN1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1 ZINC000020915882 1229634394 /nfs/dbraw/zinc/63/43/94/1229634394.db2.gz ZSNLELNXFYOWTC-UFYCRDLUSA-N 2 0 349.494 2.350 50 0 EEAARP C[N@H+](CCNc1cc(C2CC([NH3+])C2)ncn1)CCc1ccccc1 ZINC000223579423 464143279 /nfs/dbraw/zinc/14/32/79/464143279.db2.gz LYXUPFXMIRTEFC-UHFFFAOYSA-N 2 0 325.460 2.268 50 0 EEAARP C[NH+]1CCC(n2ncc3c2NC(=O)C[C@H]3[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000248119735 464731354 /nfs/dbraw/zinc/73/13/54/464731354.db2.gz JOGFJGYOTOUVEQ-GUTXKFCHSA-N 2 0 331.464 2.093 50 0 EEAARP COc1cccc(N2CCC([N@@H+]3CCO[C@H](CC[NH+](C)C)C3)CC2)c1 ZINC000019885300 683518061 /nfs/dbraw/zinc/51/80/61/683518061.db2.gz XNJMIYXGHSOBNH-HXUWFJFHSA-N 2 0 347.503 2.317 50 0 EEAARP [NH3+]C1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3F)C2)CCCC1 ZINC000067818027 215219529 /nfs/dbraw/zinc/21/95/29/215219529.db2.gz VQBTVNWZYSVOCC-OAHLLOKOSA-N 2 0 333.451 2.425 50 0 EEAARP C([C@@H]1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1)N1CCOCC1 ZINC000067805116 215217854 /nfs/dbraw/zinc/21/78/54/215217854.db2.gz DBJURIYCSQNFLU-SFHVURJKSA-N 2 0 335.536 2.343 50 0 EEAARP Cc1ccc(CC2(NC(=O)[C@H]3CC4(C[N@H+]3C)CC[NH2+]CC4)CC2)cc1 ZINC000072473992 216251647 /nfs/dbraw/zinc/25/16/47/216251647.db2.gz FSTVOOOSDJETAA-GOSISDBHSA-N 2 0 341.499 2.260 50 0 EEAARP Cc1ccc(C)c(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c1 ZINC000023373792 212372462 /nfs/dbraw/zinc/37/24/62/212372462.db2.gz DBQKRNRKXKRICF-NRFANRHFSA-N 2 0 345.531 2.266 50 0 EEAARP COc1cc(NC(=O)CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(OC)c1 ZINC000244707884 243063342 /nfs/dbraw/zinc/06/33/42/243063342.db2.gz KJKJADKWXIUUNW-IBGZPJMESA-N 2 0 347.459 2.108 50 0 EEAARP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)C1 ZINC000082136708 295335456 /nfs/dbraw/zinc/33/54/56/295335456.db2.gz KHMYMXFNEFHLAZ-MOPGFXCFSA-N 2 0 341.499 2.206 50 0 EEAARP Cc1c(C)n(CCC[NH+](C)C)c2ncnc(NCCC[NH+](C)C)c12 ZINC000005350592 462655747 /nfs/dbraw/zinc/65/57/47/462655747.db2.gz VQABDGIMKNDUAA-UHFFFAOYSA-N 2 0 332.496 2.363 50 0 EEAARP C[C@H](C1CC[NH+](Cc2cnn(C)c2C2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000077436499 462983487 /nfs/dbraw/zinc/98/34/87/462983487.db2.gz OZUAMBFUXSRFAL-MRXNPFEDSA-N 2 0 345.535 2.145 50 0 EEAARP C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(c4ccccc4)CC3)C[C@H]21 ZINC000077436515 462983325 /nfs/dbraw/zinc/98/33/25/462983325.db2.gz MRZOEOCUWZXLPA-RBUKOAKNSA-N 2 0 327.472 2.029 50 0 EEAARP CC[N@@H+]1CCC[C@H]1CSc1nnc(CC[NH3+])n1-c1ccc(F)cc1 ZINC000426667444 241322457 /nfs/dbraw/zinc/32/24/57/241322457.db2.gz KNAWRYBRDYAAEA-HNNXBMFYSA-N 2 0 349.479 2.484 50 0 EEAARP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)c2ccccc2)C1 ZINC000016699587 462988672 /nfs/dbraw/zinc/98/86/72/462988672.db2.gz XSQZGSUVIZIZAX-HKUYNNGSSA-N 2 0 347.503 2.152 50 0 EEAARP O=C1CC[N@H+](CCCc2ccccc2)CCN1CC[NH+]1CCCC1 ZINC000299793311 465886594 /nfs/dbraw/zinc/88/65/94/465886594.db2.gz IHZXMILFUNBZBP-UHFFFAOYSA-N 2 0 329.488 2.249 50 0 EEAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccnc2)C[C@H]2CCCO2)CC1 ZINC000011821533 798577476 /nfs/dbraw/zinc/57/74/76/798577476.db2.gz OETWLOCQMGSJDK-HXUWFJFHSA-N 2 0 347.503 2.421 50 0 EEAARP C[NH2+]Cc1cn(C2CC[NH+](Cc3c[nH]c4cc(F)ccc34)CC2)nn1 ZINC000020637117 202051757 /nfs/dbraw/zinc/05/17/57/202051757.db2.gz HNHJSBINVIQAMF-UHFFFAOYSA-N 2 0 342.422 2.455 50 0 EEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072458296 203228239 /nfs/dbraw/zinc/22/82/39/203228239.db2.gz KBOOPBTUWHEUHT-KRWDZBQOSA-N 2 0 333.476 2.401 50 0 EEAARP [NH3+]CCc1cccc(C[NH+]2CCC(CCN3CCCC3=O)CC2)c1 ZINC000077356126 203382263 /nfs/dbraw/zinc/38/22/63/203382263.db2.gz RBKRCGGFKHNQPB-UHFFFAOYSA-N 2 0 329.488 2.412 50 0 EEAARP O=C(CC1=CC[NH2+]CC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000067673774 463035014 /nfs/dbraw/zinc/03/50/14/463035014.db2.gz LAZXAQRLANRYGV-MRXNPFEDSA-N 2 0 333.501 2.386 50 0 EEAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000022241644 463046997 /nfs/dbraw/zinc/04/69/97/463046997.db2.gz UPXFVAHLJFMYMH-UHFFFAOYSA-N 2 0 335.467 2.496 50 0 EEAARP C=Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)C3CC[NH2+]CC3)C2)c1 ZINC000067871932 463060998 /nfs/dbraw/zinc/06/09/98/463060998.db2.gz WRORRNQJCMGTPD-SFHVURJKSA-N 2 0 327.472 2.267 50 0 EEAARP Cc1cc[nH+]c(NCCNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)c1 ZINC000095352198 463067097 /nfs/dbraw/zinc/06/70/97/463067097.db2.gz LTONOPHRMORYSG-INIZCTEOSA-N 2 0 342.443 2.423 50 0 EEAARP Cc1cc(N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cc(C)[nH+]1 ZINC000095354290 463068787 /nfs/dbraw/zinc/06/87/87/463068787.db2.gz FBQNDJITAZBMJJ-UHFFFAOYSA-N 2 0 344.503 2.469 50 0 EEAARP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000106779203 463535753 /nfs/dbraw/zinc/53/57/53/463535753.db2.gz HVUPOJOCNCOXOH-ZWKOTPCHSA-N 2 0 345.487 2.326 50 0 EEAARP CN(C)Cc1nnc(N(C)Cc2ccccc2C[NH+]2CCCC2)o1 ZINC001772708035 1179295597 /nfs/dbraw/zinc/29/55/97/1179295597.db2.gz CDTAMJRGPLNHKW-UHFFFAOYSA-N 2 0 329.448 2.363 50 0 EEAARP O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128865 202251066 /nfs/dbraw/zinc/25/10/66/202251066.db2.gz PTUBRQULADFNSG-QGZVFWFLSA-N 2 0 330.476 2.290 50 0 EEAARP [NH3+]C1(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)CC1 ZINC000091603103 462892235 /nfs/dbraw/zinc/89/22/35/462892235.db2.gz RDZOHXVUAQSPNS-ZWKOTPCHSA-N 2 0 327.472 2.033 50 0 EEAARP CCCCc1c(C)[nH+]c(N)nc1N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000091663526 462896727 /nfs/dbraw/zinc/89/67/27/462896727.db2.gz IHRXYHKUGVTJLJ-INIZCTEOSA-N 2 0 347.507 2.135 50 0 EEAARP C[NH+](C)[C@H](CN1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1 ZINC000020915889 1229634324 /nfs/dbraw/zinc/63/43/24/1229634324.db2.gz ZSNLELNXFYOWTC-ZCNNSNEGSA-N 2 0 349.494 2.350 50 0 EEAARP [NH3+]Cc1cn(C2CC[NH+](Cc3ccc([C@H]4CCCCO4)o3)CC2)nn1 ZINC000023337955 202101481 /nfs/dbraw/zinc/10/14/81/202101481.db2.gz ZWSHEFPUMKNJRI-QGZVFWFLSA-N 2 0 345.447 2.409 50 0 EEAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2cnc(-c3ccco3)nc2)CC1 ZINC000072135322 203166633 /nfs/dbraw/zinc/16/66/33/203166633.db2.gz QXOHHKUSOMCMIQ-SFHVURJKSA-N 2 0 330.432 2.015 50 0 EEAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCCc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000072430673 203222583 /nfs/dbraw/zinc/22/25/83/203222583.db2.gz RVNARMHPSRUABH-INIZCTEOSA-N 2 0 335.879 2.073 50 0 EEAARP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000055226958 289150414 /nfs/dbraw/zinc/15/04/14/289150414.db2.gz CGISQABFXMVQQK-KRWDZBQOSA-N 2 0 331.485 2.208 50 0 EEAARP Cc1cc(C)c2[nH]c(C[NH2+][C@@H]3COC4(C3)CC[NH2+]CC4)cc(=O)c2c1 ZINC000095391356 463073689 /nfs/dbraw/zinc/07/36/89/463073689.db2.gz LDJQPGRBAZSXHT-INIZCTEOSA-N 2 0 341.455 2.146 50 0 EEAARP c1ccc2c(c1)C[C@@H](C[NH+]1CCN(CC[NH+]3CCCC3)CC1)CCO2 ZINC000095521115 463102432 /nfs/dbraw/zinc/10/24/32/463102432.db2.gz JHPIVFXXGHKFDW-IBGZPJMESA-N 2 0 343.515 2.341 50 0 EEAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2cnc(-c3ccco3)nc2)CC1 ZINC000072135323 203166381 /nfs/dbraw/zinc/16/63/81/203166381.db2.gz QXOHHKUSOMCMIQ-GOSISDBHSA-N 2 0 330.432 2.015 50 0 EEAARP O=C(NCc1cc2cc(Cl)ccc2[nH]1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072141627 203167663 /nfs/dbraw/zinc/16/76/63/203167663.db2.gz WADBYQSQTLHRAZ-INIZCTEOSA-N 2 0 346.862 2.169 50 0 EEAARP Cc1ccc([C@@H]2CN(C(=O)C(C)(C)[NH3+])[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072428439 203223371 /nfs/dbraw/zinc/22/33/71/203223371.db2.gz ZLINYZHHECWGSM-RCCFBDPRSA-N 2 0 327.472 2.121 50 0 EEAARP CC(C)(C)[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000426518160 277248044 /nfs/dbraw/zinc/24/80/44/277248044.db2.gz BLLZZVJNJPLDQL-KRWDZBQOSA-N 2 0 332.492 2.455 50 0 EEAARP CCC[NH+](CCC)Cc1ccc(C(=O)N2CCO[C@@H](CC[NH3+])C2)cc1 ZINC000065418759 462767639 /nfs/dbraw/zinc/76/76/39/462767639.db2.gz MMPULAFECXBYNH-IBGZPJMESA-N 2 0 347.503 2.498 50 0 EEAARP Cc1cccc(C[NH+]2CCC(CCC(=O)NCC[NH+](C)C)CC2)n1 ZINC000011820743 462840251 /nfs/dbraw/zinc/84/02/51/462840251.db2.gz PHZZWJDSKXXNFD-UHFFFAOYSA-N 2 0 332.492 2.060 50 0 EEAARP Cn1cc[n+](-c2ccc(C(=O)c3ccc(-[n+]4ccn(C)c4)cc3)cc2)c1 ZINC000001395745 201505836 /nfs/dbraw/zinc/50/58/36/201505836.db2.gz ZXMKQJVOIOQRRG-UHFFFAOYSA-N 2 0 344.418 2.148 50 0 EEAARP Cc1cc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cc[nH+]1 ZINC000230145262 242240366 /nfs/dbraw/zinc/24/03/66/242240366.db2.gz KZHNKBXUPHMNNT-HXUWFJFHSA-N 2 0 342.487 2.303 50 0 EEAARP O=c1[nH]c(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)nc2ccccc21 ZINC000067869328 202942269 /nfs/dbraw/zinc/94/22/69/202942269.db2.gz QZBRYZMJZWANHZ-UHFFFAOYSA-N 2 0 340.471 2.368 50 0 EEAARP [NH3+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc4ccccc4o3)CC[C@H]21 ZINC000072463372 203229745 /nfs/dbraw/zinc/22/97/45/203229745.db2.gz GZJCCXQGABTRTF-DOTOQJQBSA-N 2 0 327.428 2.204 50 0 EEAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1cc[nH+]cc1)C2 ZINC000077487561 285326473 /nfs/dbraw/zinc/32/64/73/285326473.db2.gz CGGXHHHJTVBPTP-RLLQIKCJSA-N 2 0 345.487 2.425 50 0 EEAARP Cc1ccc(C[NH+]2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)o1 ZINC000091746416 462903109 /nfs/dbraw/zinc/90/31/09/462903109.db2.gz LDWZXJJEKAXSLI-QGZVFWFLSA-N 2 0 345.487 2.497 50 0 EEAARP [NH3+]CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c1 ZINC000095392214 463073221 /nfs/dbraw/zinc/07/32/21/463073221.db2.gz YPBWDJJDZPVXPH-TZIWHRDSSA-N 2 0 343.515 2.263 50 0 EEAARP COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C3([NH3+])CCC3)C2)c(C)c1 ZINC000067983217 463076384 /nfs/dbraw/zinc/07/63/84/463076384.db2.gz JLVSRAIZUHJGGQ-INIZCTEOSA-N 2 0 345.487 2.213 50 0 EEAARP CCc1cc(N2CCC([NH2+]C[C@@]3(C)CCCO3)CC2)nc(N(C)C)[nH+]1 ZINC000095503025 463096598 /nfs/dbraw/zinc/09/65/98/463096598.db2.gz ONTMNHLEWANJLE-LJQANCHMSA-N 2 0 347.507 2.233 50 0 EEAARP Cc1c[nH+]ccc1NCCn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072435135 203223900 /nfs/dbraw/zinc/22/39/00/203223900.db2.gz JKAUWPBPIVXZTC-UHFFFAOYSA-N 2 0 337.431 2.055 50 0 EEAARP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000106839304 278311213 /nfs/dbraw/zinc/31/12/13/278311213.db2.gz HPJYOGXRMXEUTN-ZHALLVOQSA-N 2 0 344.503 2.415 50 0 EEAARP C[NH+](C)CCOC(=O)CCCCCCCCC(=O)OCC[NH+](C)C ZINC000004729916 462637194 /nfs/dbraw/zinc/63/71/94/462637194.db2.gz KNXLZXZQJJQVMS-UHFFFAOYSA-N 2 0 344.496 2.317 50 0 EEAARP CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)C[NH+](C)C ZINC000011769780 462840024 /nfs/dbraw/zinc/84/00/24/462840024.db2.gz HSNWONWOICLKEF-INIZCTEOSA-N 2 0 335.467 2.100 50 0 EEAARP CCc1cc(N2CCC([N@@H+]3CC[C@@H](COC)C3)CC2)nc(N(C)C)[nH+]1 ZINC000095524106 463104384 /nfs/dbraw/zinc/10/43/84/463104384.db2.gz LKIQRUPGDZMOIV-OAHLLOKOSA-N 2 0 347.507 2.042 50 0 EEAARP COc1cc2c(cc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000030664258 463308524 /nfs/dbraw/zinc/30/85/24/463308524.db2.gz JIPPUYRCOJZVRF-OAHLLOKOSA-N 2 0 347.503 2.134 50 0 EEAARP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)c2ccccc2)C1 ZINC000105870464 463483281 /nfs/dbraw/zinc/48/32/81/463483281.db2.gz XSQZGSUVIZIZAX-IEBWSBKVSA-N 2 0 347.503 2.152 50 0 EEAARP COc1c[nH]c(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cc1=O ZINC000252485518 464963902 /nfs/dbraw/zinc/96/39/02/464963902.db2.gz GXOFTBDHIILVDT-UHFFFAOYSA-N 2 0 328.416 2.212 50 0 EEAARP O=C(C[NH2+][C@H](Cc1ccccc1)C1CCCCC1)N1CC[NH2+]CC1 ZINC000643500202 470710309 /nfs/dbraw/zinc/71/03/09/470710309.db2.gz NCRXBUXKUXOTPF-LJQANCHMSA-N 2 0 329.488 2.199 50 0 EEAARP Cc1c[nH+]ccc1NCC[NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000828256391 800651650 /nfs/dbraw/zinc/65/16/50/800651650.db2.gz DICUJPNCCLQHNZ-GOSISDBHSA-N 2 0 338.455 2.005 50 0 EEAARP COc1ccc(C[NH2+]CC[C@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004539327 210216919 /nfs/dbraw/zinc/21/69/19/210216919.db2.gz XHIDEXZXYXIKAG-VCBZYWHSSA-N 2 0 336.476 2.275 50 0 EEAARP O=C1CC[N@H+](CCCC(F)(F)F)CCN1CC[NH+]1CCCCC1 ZINC000299786927 258093673 /nfs/dbraw/zinc/09/36/73/258093673.db2.gz RVKAAXHIQQKFJR-UHFFFAOYSA-N 2 0 335.414 2.349 50 0 EEAARP Cc1cc(N2CCC([NH2+]CCc3ccncc3)CC2)nc(N(C)C)[nH+]1 ZINC000095512510 463098681 /nfs/dbraw/zinc/09/86/81/463098681.db2.gz UTBOITBNNGUYLL-UHFFFAOYSA-N 2 0 340.475 2.047 50 0 EEAARP C[NH+](C)[C@H]1CCCN(CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000252490566 464966196 /nfs/dbraw/zinc/96/61/96/464966196.db2.gz KWYUQUAHIPADNN-IBGZPJMESA-N 2 0 330.520 2.225 50 0 EEAARP O[C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3OCC[NH+]3CCCCC3)C[C@H]12 ZINC001772701387 1179284151 /nfs/dbraw/zinc/28/41/51/1179284151.db2.gz LLJSBPWPTMXNRZ-CEXWTWQISA-N 2 0 330.472 2.364 50 0 EEAARP C[NH+](C)C[C@]12C[NH2+]C[C@H]1CN(c1ccnc3cc(Cl)ccc31)C2 ZINC001772704633 1179289175 /nfs/dbraw/zinc/28/91/75/1179289175.db2.gz OGYPAUJDBXDSSY-UGSOOPFHSA-N 2 0 330.863 2.476 50 0 EEAARP CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000015074880 1226510770 /nfs/dbraw/zinc/51/07/70/1226510770.db2.gz MFCCHUUEGJUKCW-FQEVSTJZSA-N 2 0 343.515 2.495 50 0 EEAARP COc1cccc(CNC[C@]2(C)CC[N@H+](C)C2)c1OCC[NH+](C)C ZINC000952974106 796116953 /nfs/dbraw/zinc/11/69/53/796116953.db2.gz BEDIHXKWOGPUFK-IBGZPJMESA-N 2 0 335.492 2.067 50 0 EEAARP Cc1cccc(-c2ncc(C[NH+]3CCC4(CC3)C[NH2+]CCO4)cn2)c1 ZINC000825224765 800320819 /nfs/dbraw/zinc/32/08/19/800320819.db2.gz HEAJARWVMUKXQK-UHFFFAOYSA-N 2 0 338.455 2.406 50 0 EEAARP Cn1c(CC2CC[NH2+]CC2)nnc1SCC[NH+]1CCCCCC1 ZINC000055568679 214330933 /nfs/dbraw/zinc/33/09/33/214330933.db2.gz MUVKTXRRSTZOKG-UHFFFAOYSA-N 2 0 337.537 2.325 50 0 EEAARP C[C@H](C1CC[NH+](Cc2ccc(N(C)C)nc2)CC1)[NH+]1CCOCC1 ZINC000072417924 216205782 /nfs/dbraw/zinc/20/57/82/216205782.db2.gz BUOXKDCGOXPDKD-MRXNPFEDSA-N 2 0 332.492 2.080 50 0 EEAARP CCCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)o1 ZINC000072436363 216231089 /nfs/dbraw/zinc/23/10/89/216231089.db2.gz IKHZZVHOIZQBCY-MAUKXSAKSA-N 2 0 333.476 2.264 50 0 EEAARP COc1cccc(C[N@@H+]2CCC[C@@H](O)CC2)c1OCCC[NH+](C)C ZINC000216299365 241181244 /nfs/dbraw/zinc/18/12/44/241181244.db2.gz CLBAZOCFYKRYGS-QGZVFWFLSA-N 2 0 336.476 2.373 50 0 EEAARP Cc1cc(N2CCC[N@H+](CCC(=O)Nc3cccnc3)CC2)cc[nH+]1 ZINC000244715845 243062796 /nfs/dbraw/zinc/06/27/96/243062796.db2.gz LDOVPBOQAJIURJ-UHFFFAOYSA-N 2 0 339.443 2.326 50 0 EEAARP Cc1cnn(C[C@H]2CCC[N@H+]2C[C@@H](O)CN(C)Cc2ccccc2)c1 ZINC000106785791 463535669 /nfs/dbraw/zinc/53/56/69/463535669.db2.gz AZCXBFWISDFPAM-UXHICEINSA-N 2 0 342.487 2.149 50 0 EEAARP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000426689886 535483816 /nfs/dbraw/zinc/48/38/16/535483816.db2.gz PRLFENMAQBKKTH-QGZVFWFLSA-N 2 0 345.491 2.096 50 0 EEAARP CCC[C@H](CNc1nc(-c2ccncc2)nc2c1CC[NH2+]C2)[NH+](C)C ZINC000067867456 215234735 /nfs/dbraw/zinc/23/47/35/215234735.db2.gz HNZFDBBSPMYJFE-OAHLLOKOSA-N 2 0 340.475 2.327 50 0 EEAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000072166032 216055591 /nfs/dbraw/zinc/05/55/91/216055591.db2.gz OQEMSJUPXVRKPF-LJQANCHMSA-N 2 0 346.450 2.494 50 0 EEAARP CCCCN(Cc1ccncc1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072421100 216209516 /nfs/dbraw/zinc/20/95/16/216209516.db2.gz TYYFTBZHMCBAPI-GOSISDBHSA-N 2 0 344.503 2.284 50 0 EEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@H]21 ZINC000072421797 216210615 /nfs/dbraw/zinc/21/06/15/216210615.db2.gz LQORDOOPFMSYPT-GYOZQUQXSA-N 2 0 327.472 2.232 50 0 EEAARP Nc1nc(NCC2CC[NH+](C3CCCC3)CC2)cc(C2CC([NH3+])C2)n1 ZINC000219469790 241386723 /nfs/dbraw/zinc/38/67/23/241386723.db2.gz IPBBQPVCAMCHQP-UHFFFAOYSA-N 2 0 344.507 2.330 50 0 EEAARP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)CCn2cnnc2)C1 ZINC000095529530 463105980 /nfs/dbraw/zinc/10/59/80/463105980.db2.gz CFKLYILLCABKBV-LJQANCHMSA-N 2 0 341.503 2.473 50 0 EEAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(C)=O)C1 ZINC000096165302 463193227 /nfs/dbraw/zinc/19/32/27/463193227.db2.gz HDDMZCYUXCKICO-GOSISDBHSA-N 2 0 347.503 2.317 50 0 EEAARP C[C@@H]1C[N@H+](C)CCCN1C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000222267808 464128081 /nfs/dbraw/zinc/12/80/81/464128081.db2.gz ZKHCSTZLSULAEB-QGZVFWFLSA-N 2 0 329.488 2.419 50 0 EEAARP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C[NH3+])C1 ZINC000601012349 468718719 /nfs/dbraw/zinc/71/87/19/468718719.db2.gz BARXDJJIPJZAFU-LPHOPBHVSA-N 2 0 331.460 2.314 50 0 EEAARP C[N@H+]([C@@H]1c2ccccc2C2(CC[NH+](C)CC2)[C@H]1O)C1CCOCC1 ZINC000020294105 1229506878 /nfs/dbraw/zinc/50/68/78/1229506878.db2.gz WFJXAGGXBODMAD-MOPGFXCFSA-N 2 0 330.472 2.176 50 0 EEAARP COc1ccc(OC[C@@H](O)C[NH2+]CCC[NH+](C)C)c(C(C)(C)C)c1 ZINC000003418302 210034725 /nfs/dbraw/zinc/03/47/25/210034725.db2.gz SCYKYXYWQMGQAB-HNNXBMFYSA-N 2 0 338.492 2.274 50 0 EEAARP Cc1cc(C)n(C[C@@H](C)[NH+]2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)n1 ZINC000020820380 212173101 /nfs/dbraw/zinc/17/31/01/212173101.db2.gz WNEGEFZUVBIBSA-OAHLLOKOSA-N 2 0 345.495 2.011 50 0 EEAARP Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)cc1C ZINC000092099047 218119469 /nfs/dbraw/zinc/11/94/69/218119469.db2.gz CHVSHRGTAPICCO-NHCUHLMSSA-N 2 0 346.515 2.048 50 0 EEAARP O=C(Nc1cccc(C2=[NH+]CCN2)c1)Nc1cccc(C2=[NH+]CCN2)c1 ZINC000000073661 258047638 /nfs/dbraw/zinc/04/76/38/258047638.db2.gz SCEVFJUWLLRELN-UHFFFAOYSA-N 2 0 348.410 2.030 50 0 in-man EEAARP c1ccc(C[NH+]2CCN(CC[NH+]3CCC4(CCO4)CC3)CC2)cc1 ZINC000252510244 464975267 /nfs/dbraw/zinc/97/52/67/464975267.db2.gz ZFIHUSPYKHZTHV-UHFFFAOYSA-N 2 0 329.488 2.059 50 0 EEAARP CCc1nccn1C[C@H](C)[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC001772807650 1410369008 /nfs/dbraw/zinc/36/90/08/1410369008.db2.gz QOGGAHJKOCAOJR-INIZCTEOSA-N 2 0 341.459 2.077 50 0 EEAARP Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)cc1OCCC[NH3+] ZINC000426537907 241306868 /nfs/dbraw/zinc/30/68/68/241306868.db2.gz ZSKZZWMMVZKDGR-WMZOPIPTSA-N 2 0 345.487 2.279 50 0 EEAARP CC1CC[NH+](Cc2ccc(C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)o2)CC1 ZINC000077389118 462979099 /nfs/dbraw/zinc/97/90/99/462979099.db2.gz YRPRSLNKQKLCRZ-DOTOQJQBSA-N 2 0 331.460 2.288 50 0 EEAARP [NH3+]CCc1cccc(C[N@@H+]2CCCC[C@H]2CCN2CCOCC2)c1 ZINC000077438999 462984859 /nfs/dbraw/zinc/98/48/59/462984859.db2.gz NLCUBQONFRRDSY-FQEVSTJZSA-N 2 0 331.504 2.265 50 0 EEAARP C[C@@H](C1CC[NH+](Cc2cnc(N(C)C)s2)CC1)[NH+]1CCOCC1 ZINC000072473065 463511690 /nfs/dbraw/zinc/51/16/90/463511690.db2.gz YYRMOADFWYCKGP-AWEZNQCLSA-N 2 0 338.521 2.142 50 0 EEAARP NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082145614 463518732 /nfs/dbraw/zinc/51/87/32/463518732.db2.gz QQUIMXAJCSLILX-UHFFFAOYSA-N 2 0 329.488 2.281 50 0 EEAARP c1ccc2[nH]c(N3CCC[N@@H+](CCOC[C@H]4CCCO4)CC3)nc2c1 ZINC000110617850 463660167 /nfs/dbraw/zinc/66/01/67/463660167.db2.gz OZMMTBBUSXITNS-MRXNPFEDSA-N 2 0 344.459 2.271 50 0 EEAARP c1ccc(-c2nc3c(c(N4CC[N@@H+]5CCC[C@H]5C4)n2)CC[NH2+]C3)cc1 ZINC000230147074 464202526 /nfs/dbraw/zinc/20/25/26/464202526.db2.gz UVYCJIJZVLMBNB-INIZCTEOSA-N 2 0 335.455 2.074 50 0 EEAARP CCc1cc(N2CCC([N@@H+]3CC[C@H](COC)C3)CC2)nc(N(C)C)[nH+]1 ZINC000095524105 463103106 /nfs/dbraw/zinc/10/31/06/463103106.db2.gz LKIQRUPGDZMOIV-HNNXBMFYSA-N 2 0 347.507 2.042 50 0 EEAARP CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000095527408 463105572 /nfs/dbraw/zinc/10/55/72/463105572.db2.gz KGPJGFHYZGWFFP-QGZVFWFLSA-N 2 0 335.467 2.448 50 0 EEAARP CN(CC[NH+]1CCCC1)C(=O)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000584895674 468958913 /nfs/dbraw/zinc/95/89/13/468958913.db2.gz ZLMOEJMPCFXIDQ-SFHVURJKSA-N 2 0 332.492 2.417 50 0 EEAARP C[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000015069183 1226502623 /nfs/dbraw/zinc/50/26/23/1226502623.db2.gz SBGJRYVPBLJFIC-QGZVFWFLSA-N 2 0 336.476 2.420 50 0 EEAARP COc1cccc(CNC[C@@]2(C)CC[N@H+](C)C2)c1OCC[NH+](C)C ZINC000952974144 796117233 /nfs/dbraw/zinc/11/72/33/796117233.db2.gz BEDIHXKWOGPUFK-LJQANCHMSA-N 2 0 335.492 2.067 50 0 EEAARP CC[NH+]1CCN(CCOc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000215655455 241138307 /nfs/dbraw/zinc/13/83/07/241138307.db2.gz LDLVSFVHFCJVIN-UHFFFAOYSA-N 2 0 349.544 2.252 50 0 EEAARP Cc1nc(NC2CC[NH+](C3CCOCC3)CC2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244874641 243094965 /nfs/dbraw/zinc/09/49/65/243094965.db2.gz XEUWOGGPPYEURN-SHTZXODSSA-N 2 0 345.491 2.045 50 0 EEAARP C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000012450704 211387343 /nfs/dbraw/zinc/38/73/43/211387343.db2.gz YSJZJXSMQATXFW-LJQANCHMSA-N 2 0 341.499 2.453 50 0 EEAARP [NH3+]CCc1cccc(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)c1 ZINC000077438998 462985136 /nfs/dbraw/zinc/98/51/36/462985136.db2.gz NLCUBQONFRRDSY-HXUWFJFHSA-N 2 0 331.504 2.265 50 0 EEAARP [NH3+]CCc1cc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)ncn1 ZINC000067713239 463042448 /nfs/dbraw/zinc/04/24/48/463042448.db2.gz LQDTVBJUIQJBFJ-UHFFFAOYSA-N 2 0 341.503 2.069 50 0 EEAARP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCc3ccccc3)C2)[nH+]1 ZINC000097200850 463345299 /nfs/dbraw/zinc/34/52/99/463345299.db2.gz GVKBVPLOFFZNMJ-GOSISDBHSA-N 2 0 338.455 2.440 50 0 EEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N1CCn3cccc3C1)CC[NH+](C)CC2 ZINC000072409959 463509084 /nfs/dbraw/zinc/50/90/84/463509084.db2.gz AOHYXCATAYLLDN-SFHVURJKSA-N 2 0 344.503 2.027 50 0 EEAARP CC[C@H](C(=O)NC1CC[NH+](C2CCSCC2)CC1)[N@H+](C)CC ZINC000952975880 796119950 /nfs/dbraw/zinc/11/99/50/796119950.db2.gz LQONOHXJWFJNQJ-MRXNPFEDSA-N 2 0 327.538 2.193 50 0 EEAARP C[NH+](C)CC(C)(C)CNc1cc([C@H]2C[C@@H]([NH3+])C2)nc(N2CCCC2)n1 ZINC000244874862 243095249 /nfs/dbraw/zinc/09/52/49/243095249.db2.gz XIMKPDRJZNJXLY-GASCZTMLSA-N 2 0 346.523 2.281 50 0 EEAARP C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cc(F)ccc2OCCC[NH3+])C1 ZINC000299800743 258104447 /nfs/dbraw/zinc/10/44/47/258104447.db2.gz IOKQFZOPEZPQJC-CQSZACIVSA-N 2 0 349.450 2.252 50 0 EEAARP COc1cccc(-n2c(C[NH3+])nnc2SC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000426430999 537072013 /nfs/dbraw/zinc/07/20/13/537072013.db2.gz HHWSDZSGJMNEAY-OLZOCXBDSA-N 2 0 347.488 2.344 50 0 EEAARP Cc1cc(N2CCC([NH2+]CCc3ccco3)CC2)nc(N(C)C)[nH+]1 ZINC000095502520 463096715 /nfs/dbraw/zinc/09/67/15/463096715.db2.gz IKGSKPLPSYMSIW-UHFFFAOYSA-N 2 0 329.448 2.245 50 0 EEAARP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000980840347 775780395 /nfs/dbraw/zinc/78/03/95/775780395.db2.gz YLQKJIUVOMJXOK-INIZCTEOSA-N 2 0 343.462 2.440 50 0 EEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072410504 216201976 /nfs/dbraw/zinc/20/19/76/216201976.db2.gz STGSBQIWABCMIY-SFHVURJKSA-N 2 0 347.503 2.443 50 0 EEAARP CC[N@@H+]1CCC[C@@H]1CSc1nnc(CC[NH3+])n1-c1ccc(F)cc1 ZINC000426667446 241322620 /nfs/dbraw/zinc/32/26/20/241322620.db2.gz KNAWRYBRDYAAEA-OAHLLOKOSA-N 2 0 349.479 2.484 50 0 EEAARP CCc1nc(C)c(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)[nH]1 ZINC000065396789 462764246 /nfs/dbraw/zinc/76/42/46/462764246.db2.gz QZFAWJLGJCTMRW-INIZCTEOSA-N 2 0 333.524 2.128 50 0 EEAARP CCC[NH+]1CCC(Cc2noc(-c3n[nH]c4c3C[N@H+](C)CC4)n2)CC1 ZINC000067758880 215205814 /nfs/dbraw/zinc/20/58/14/215205814.db2.gz TXNRBOFLIJGAAY-UHFFFAOYSA-N 2 0 344.463 2.112 50 0 EEAARP Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3CC[NH2+]CC3)C2)c(C)c1F ZINC000067919739 215250447 /nfs/dbraw/zinc/25/04/47/215250447.db2.gz RCLKHMQQDVKDDK-INIZCTEOSA-N 2 0 347.478 2.380 50 0 EEAARP O=C(NCc1cc2cc(Cl)ccc2[nH]1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072141628 216027828 /nfs/dbraw/zinc/02/78/28/216027828.db2.gz WADBYQSQTLHRAZ-MRXNPFEDSA-N 2 0 346.862 2.169 50 0 EEAARP C[N@H+](CCC1CCOCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023399288 212375983 /nfs/dbraw/zinc/37/59/83/212375983.db2.gz IJZVRWXNMNNBAL-UXHICEINSA-N 2 0 344.499 2.472 50 0 EEAARP Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)cc1OCC[NH3+] ZINC000426541217 241306902 /nfs/dbraw/zinc/30/69/02/241306902.db2.gz GUSPMQWDVMUKDZ-SFHVURJKSA-N 2 0 345.487 2.423 50 0 EEAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](C)CC2)c(Cl)c1 ZINC000011818696 211252403 /nfs/dbraw/zinc/25/24/03/211252403.db2.gz IUZNUZYQAWMAOS-UHFFFAOYSA-N 2 0 339.867 2.104 50 0 EEAARP CN1c2ccccc2C2(CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000072145319 277078021 /nfs/dbraw/zinc/07/80/21/277078021.db2.gz RLMKSKFMHLRVSP-INIZCTEOSA-N 2 0 327.472 2.481 50 0 EEAARP O=C1CC[C@@]2(CCC[N@@H+](C3CC[NH2+]CC3)C2)CN1Cc1ccncc1 ZINC000072469721 280258549 /nfs/dbraw/zinc/25/85/49/280258549.db2.gz FCIDVOJHZRKUCM-HXUWFJFHSA-N 2 0 342.487 2.038 50 0 EEAARP CN(CC[NH+]1CCCC1)C(=O)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC000584895673 468958644 /nfs/dbraw/zinc/95/86/44/468958644.db2.gz ZLMOEJMPCFXIDQ-GOSISDBHSA-N 2 0 332.492 2.417 50 0 EEAARP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(OCC(=O)N3CCCC3)cc2)CC1 ZINC000097674112 219045864 /nfs/dbraw/zinc/04/58/64/219045864.db2.gz GYEMGPGUPHGDEO-QGZVFWFLSA-N 2 0 331.460 2.001 50 0 EEAARP CCC(CC)[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000023373481 282185378 /nfs/dbraw/zinc/18/53/78/282185378.db2.gz GXBSRBDJAQAGBE-IBGZPJMESA-N 2 0 325.541 2.416 50 0 EEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072410503 216203050 /nfs/dbraw/zinc/20/30/50/216203050.db2.gz STGSBQIWABCMIY-GOSISDBHSA-N 2 0 347.503 2.443 50 0 EEAARP COc1cc(F)c(CN2CCC([N@H+](C)CCN(C)C)CC2)c(F)c1 ZINC000215507460 241129162 /nfs/dbraw/zinc/12/91/62/241129162.db2.gz YTOIAAVCTXPEDL-UHFFFAOYSA-N 2 0 341.446 2.431 50 0 EEAARP Cc1ccc(OCC[NH3+])c(C(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000426478136 241294622 /nfs/dbraw/zinc/29/46/22/241294622.db2.gz YWKUDVPDEFVVRZ-HNNXBMFYSA-N 2 0 331.460 2.031 50 0 EEAARP Cc1cc(N2CCC[C@@](O)(C[NH+](C)C)C2)c2cc3c(cc2[nH+]1)OCO3 ZINC000072468874 280553504 /nfs/dbraw/zinc/55/35/04/280553504.db2.gz SPXXQJJHVVNPDA-LJQANCHMSA-N 2 0 343.427 2.165 50 0 EEAARP c1cnn(CCC[N@@H+]2CCOC3(CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000952977278 796122155 /nfs/dbraw/zinc/12/21/55/796122155.db2.gz PUWCFYUQDUUIEP-UHFFFAOYSA-N 2 0 341.459 2.040 50 0 EEAARP CCc1cc(NCCC[N@@H+]2CCC[C@H](CO)C2)nc(N2CCCC2)[nH+]1 ZINC001506415362 1114600262 /nfs/dbraw/zinc/60/02/62/1114600262.db2.gz WZCNAHAMYKZCJZ-INIZCTEOSA-N 2 0 347.507 2.146 50 0 EEAARP NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426635324 241319263 /nfs/dbraw/zinc/31/92/63/241319263.db2.gz JKPGROIPIAZVLX-SFHVURJKSA-N 2 0 337.414 2.128 50 0 EEAARP NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426635323 241320698 /nfs/dbraw/zinc/32/06/98/241320698.db2.gz JKPGROIPIAZVLX-GOSISDBHSA-N 2 0 337.414 2.128 50 0 EEAARP Cc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)c(C)c1 ZINC000091585651 218024703 /nfs/dbraw/zinc/02/47/03/218024703.db2.gz WVLGTQZNSCAVGJ-WOJBJXKFSA-N 2 0 347.547 2.146 50 0 EEAARP COCCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccco1)C[C@@H]2CO ZINC000097307505 219011085 /nfs/dbraw/zinc/01/10/85/219011085.db2.gz MEVQOTIQVXVEMO-QGZVFWFLSA-N 2 0 336.476 2.213 50 0 EEAARP [NH3+]CC1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299784386 258092079 /nfs/dbraw/zinc/09/20/79/258092079.db2.gz PBJALUSFGURBOD-OTWHNJEPSA-N 2 0 327.472 2.409 50 0 EEAARP CCc1cc(N2CCC([NH2+]C[C@]3(C)CCCO3)CC2)nc(N(C)C)[nH+]1 ZINC000095503024 463096794 /nfs/dbraw/zinc/09/67/94/463096794.db2.gz ONTMNHLEWANJLE-IBGZPJMESA-N 2 0 347.507 2.233 50 0 EEAARP COCC1CC[NH+]([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000020600390 683575432 /nfs/dbraw/zinc/57/54/32/683575432.db2.gz CZIOSFLSWOKONZ-MOPGFXCFSA-N 2 0 330.472 2.082 50 0 EEAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000072166031 216055390 /nfs/dbraw/zinc/05/53/90/216055390.db2.gz OQEMSJUPXVRKPF-IBGZPJMESA-N 2 0 346.450 2.494 50 0 EEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1ccco1)CC[NH+](C)CC2 ZINC000072419638 216207727 /nfs/dbraw/zinc/20/77/27/216207727.db2.gz OSIIWGVFNYBFMH-KRWDZBQOSA-N 2 0 333.476 2.135 50 0 EEAARP C[NH+](C)CC[C@H](Nc1ncnc2c1CC[NH2+]CC2)c1ccccc1 ZINC000072426038 216216081 /nfs/dbraw/zinc/21/60/81/216216081.db2.gz PXUGFYNCFUMLCH-KRWDZBQOSA-N 2 0 325.460 2.270 50 0 EEAARP O=C1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072480125 216259792 /nfs/dbraw/zinc/25/97/92/216259792.db2.gz UYDDNNHHAJHEQO-VQTJNVASSA-N 2 0 341.499 2.499 50 0 EEAARP COCCC1CC[NH+]([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000023580752 212383221 /nfs/dbraw/zinc/38/32/21/212383221.db2.gz YOONZVXICSOSIR-UXHICEINSA-N 2 0 344.499 2.472 50 0 EEAARP CC[N@@H+]1CCC[C@H]1CSc1nnc(C[NH3+])n1-c1cccc(OC)c1 ZINC000426429074 241283984 /nfs/dbraw/zinc/28/39/84/241283984.db2.gz ZJQGMEIHYMPWHO-AWEZNQCLSA-N 2 0 347.488 2.311 50 0 EEAARP COc1cc(C)c(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])cc1C ZINC000091624871 218033365 /nfs/dbraw/zinc/03/33/65/218033365.db2.gz FVYGWYCEEWEOCQ-MOPGFXCFSA-N 2 0 348.487 2.003 50 0 EEAARP Cc1cc(N2CCC([NH2+]CCCC[C@@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000095385257 218316773 /nfs/dbraw/zinc/31/67/73/218316773.db2.gz NMSOLTCWNQIIJZ-MRXNPFEDSA-N 2 0 333.480 2.275 50 0 EEAARP c1ccc2c(c1)C[C@H](C[NH+]1CCN(CC[NH+]3CCCC3)CC1)CCO2 ZINC000095521114 463102511 /nfs/dbraw/zinc/10/25/11/463102511.db2.gz JHPIVFXXGHKFDW-LJQANCHMSA-N 2 0 343.515 2.341 50 0 EEAARP CCCc1cncnc1N1CCC([N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000096149624 463187650 /nfs/dbraw/zinc/18/76/50/463187650.db2.gz CJKUNXWCIILSAC-FUHWJXTLSA-N 2 0 329.492 2.082 50 0 EEAARP Cc1ccc(N2CCC([NH2+]CCN3CC[NH2+]CC3)CC2)cc1Cl ZINC000426420430 241281088 /nfs/dbraw/zinc/28/10/88/241281088.db2.gz UGZGICNTCAKRFN-UHFFFAOYSA-N 2 0 336.911 2.112 50 0 EEAARP CCCc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(N)n3)CC2)on1 ZINC000095391317 218323069 /nfs/dbraw/zinc/32/30/69/218323069.db2.gz ZRRMAPCAQQQXLV-UHFFFAOYSA-N 2 0 330.436 2.066 50 0 EEAARP COc1ccc(OC[C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000189012 462546633 /nfs/dbraw/zinc/54/66/33/462546633.db2.gz AVAAXFLOBHTCBR-HNNXBMFYSA-N 2 0 336.476 2.334 50 0 EEAARP CC[N@@H+]1CCC[C@@H]1CSc1nnc(C[NH3+])n1-c1ccc(OC)cc1 ZINC000426567138 682025153 /nfs/dbraw/zinc/02/51/53/682025153.db2.gz SUDUNYDHLJEPOE-CQSZACIVSA-N 2 0 347.488 2.311 50 0 EEAARP c1ccc(C[NH+]2CCC3(CC2)C[N@@H+]([C@@H]2CCSC2)CCO3)nc1 ZINC000820430469 798579320 /nfs/dbraw/zinc/57/93/20/798579320.db2.gz BOOWLVAOFBOWPI-QGZVFWFLSA-N 2 0 333.501 2.254 50 0 EEAARP [NH3+][C@@H]1CCN(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000426518998 241304536 /nfs/dbraw/zinc/30/45/36/241304536.db2.gz QELCIWLCRYLYST-GOSISDBHSA-N 2 0 330.476 2.031 50 0 EEAARP CO[C@@]1(C)C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000110646610 220051317 /nfs/dbraw/zinc/05/13/17/220051317.db2.gz CKBFGZXGFWHPEE-APWZRJJASA-N 2 0 339.524 2.111 50 0 EEAARP COc1ccc2cc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000261767138 463853967 /nfs/dbraw/zinc/85/39/67/463853967.db2.gz WLRRCMWQAYTZEU-LJQANCHMSA-N 2 0 325.456 2.328 50 0 EEAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000072148860 216036293 /nfs/dbraw/zinc/03/62/93/216036293.db2.gz FJTUNANIESSOJF-IBGZPJMESA-N 2 0 328.460 2.151 50 0 EEAARP COc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(OC)c1 ZINC000004988151 210351278 /nfs/dbraw/zinc/35/12/78/210351278.db2.gz RDMGBLACROJWOP-UHFFFAOYSA-N 2 0 337.508 2.409 50 0 EEAARP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095377726 463071726 /nfs/dbraw/zinc/07/17/26/463071726.db2.gz SLLPSOOSVFHLJM-RTBURBONSA-N 2 0 327.472 2.205 50 0 EEAARP C[NH+](C)C[C@@H](O)COc1ccc(C[N@H+](C)C2CCSCC2)cc1 ZINC000095509208 463099619 /nfs/dbraw/zinc/09/96/19/463099619.db2.gz NEVHKWUMHQOZNK-QGZVFWFLSA-N 2 0 338.517 2.315 50 0 EEAARP COc1cc(CN2CCC[C@H]([NH3+])C2)ccc1OCC[NH+]1CCCCC1 ZINC000216140660 536757450 /nfs/dbraw/zinc/75/74/50/536757450.db2.gz ITNGEKHDYPSSAC-SFHVURJKSA-N 2 0 347.503 2.483 50 0 EEAARP COCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2F)C1 ZINC000011771447 798419517 /nfs/dbraw/zinc/41/95/17/798419517.db2.gz GHVPHPWIVLIQDH-HNNXBMFYSA-N 2 0 346.450 2.284 50 0 EEAARP [NH3+]C[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]CC3)C1 ZINC000072423215 216211375 /nfs/dbraw/zinc/21/13/75/216211375.db2.gz QVCGKDBENNMRTR-OAHLLOKOSA-N 2 0 337.471 2.007 50 0 EEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1c(C)noc1C)CC[NH+](C)CC2 ZINC000072427848 216219728 /nfs/dbraw/zinc/21/97/28/216219728.db2.gz CHEIQOAJGIIORA-KRWDZBQOSA-N 2 0 348.491 2.104 50 0 EEAARP C[C@H](C1CC[NH+](Cc2ccc(CC[NH3+])cc2)CC1)[NH+]1CCOCC1 ZINC000072476593 216254065 /nfs/dbraw/zinc/25/40/65/216254065.db2.gz SBICRFFRFBJEMY-QGZVFWFLSA-N 3 0 331.504 2.121 50 0 EEAARP CCCCc1c(C)[nH+]c(N)nc1N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000091663527 218042069 /nfs/dbraw/zinc/04/20/69/218042069.db2.gz IHRXYHKUGVTJLJ-MRXNPFEDSA-N 2 0 347.507 2.135 50 0 EEAARP C[NH+]1CCC(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000097515077 219032853 /nfs/dbraw/zinc/03/28/53/219032853.db2.gz WIFATAHWKLOWQZ-IBGZPJMESA-N 2 0 329.488 2.324 50 0 EEAARP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)c2ccccc2)C1 ZINC000105870467 463483337 /nfs/dbraw/zinc/48/33/37/463483337.db2.gz XSQZGSUVIZIZAX-MJGOQNOKSA-N 2 0 347.503 2.152 50 0 EEAARP CSCC[C@H]([NH3+])C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000952965184 796085726 /nfs/dbraw/zinc/08/57/26/796085726.db2.gz SLFITUINUVQGPJ-INIZCTEOSA-N 2 0 337.489 2.179 50 0 EEAARP CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012072867 799751110 /nfs/dbraw/zinc/75/11/10/799751110.db2.gz LEOBIPWMWXSFNA-GOSISDBHSA-N 2 0 329.488 2.451 50 0 EEAARP CC(C)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000023366690 212370035 /nfs/dbraw/zinc/37/00/35/212370035.db2.gz ZMDUSRZILKEUEF-UHFFFAOYSA-N 2 0 344.503 2.283 50 0 EEAARP CO[C@@]1(C)C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000110646605 220051360 /nfs/dbraw/zinc/05/13/60/220051360.db2.gz CKBFGZXGFWHPEE-LPHOPBHVSA-N 2 0 339.524 2.111 50 0 EEAARP O[C@H](C[NH2+]C1CCCCC1)CSC[C@@H](O)C[NH2+]C1CCCCC1 ZINC000004989799 210351016 /nfs/dbraw/zinc/35/10/16/210351016.db2.gz YSQRUZNODPSLEX-HDICACEKSA-N 2 0 344.565 2.286 50 0 EEAARP CCCn1ncc(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)c1C ZINC000077343550 462970979 /nfs/dbraw/zinc/97/09/79/462970979.db2.gz UVTUCMBLUIAPOP-KRWDZBQOSA-N 2 0 347.551 2.449 50 0 EEAARP NC(=O)C1CC[NH+](CCCC[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000030911319 463317245 /nfs/dbraw/zinc/31/72/45/463317245.db2.gz GQLJWLSRHJRJNN-UHFFFAOYSA-N 2 0 325.403 2.032 50 0 EEAARP C[C@H](C[NH+](C)C)OP(O[C@H](C)C[NH+](C)C)O[C@H](C)C[NH+](C)C ZINC000253487088 465016362 /nfs/dbraw/zinc/01/63/62/465016362.db2.gz DPNIWQYUHLLAAT-RBSFLKMASA-N 3 0 337.445 2.113 50 0 EEAARP [NH3+][C@H]1CC[C@@H](C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)CC1 ZINC000244724158 464461628 /nfs/dbraw/zinc/46/16/28/464461628.db2.gz MOUMEBSPSXYCMX-GASCZTMLSA-N 2 0 328.460 2.403 50 0 EEAARP CC[NH+](CC)CCC[C@@H](C)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426549051 535518854 /nfs/dbraw/zinc/51/88/54/535518854.db2.gz DGZGEQDAJCAMRS-QGZVFWFLSA-N 2 0 347.507 2.424 50 0 EEAARP CN1CCN(C(=O)CC[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000015074881 1226511026 /nfs/dbraw/zinc/51/10/26/1226511026.db2.gz MFCCHUUEGJUKCW-HXUWFJFHSA-N 2 0 343.515 2.495 50 0 EEAARP c1cc(-c2nnc(C[NH2+]C3CCC4(CC[NH2+]CC4)CC3)[nH]2)ccn1 ZINC000067691480 215185680 /nfs/dbraw/zinc/18/56/80/215185680.db2.gz TYPORVLJMYMLEI-UHFFFAOYSA-N 2 0 326.448 2.269 50 0 EEAARP COc1cccc(N2CCC([NH+]3CCC4(CC3)C[NH2+]CCO4)CC2)c1 ZINC000426612656 241316723 /nfs/dbraw/zinc/31/67/23/241316723.db2.gz USZJRLCASXOFBT-UHFFFAOYSA-N 2 0 345.487 2.118 50 0 EEAARP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000110657505 289128741 /nfs/dbraw/zinc/12/87/41/289128741.db2.gz JIXOXLWLOAXZOX-ZWKOTPCHSA-N 2 0 332.492 2.273 50 0 EEAARP Cc1ccc(NCCC[NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)nc1 ZINC000063834580 462675928 /nfs/dbraw/zinc/67/59/28/462675928.db2.gz QMQIZIAGBIXORR-IEBWSBKVSA-N 2 0 332.492 2.161 50 0 EEAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(C)=O)C1 ZINC000096165303 463193699 /nfs/dbraw/zinc/19/36/99/463193699.db2.gz HDDMZCYUXCKICO-SFHVURJKSA-N 2 0 347.503 2.317 50 0 EEAARP Cc1nc2c(c(NCC[NH+](C)C)n1)CC[N@H+](Cc1ccsc1)CC2 ZINC000072457361 216243142 /nfs/dbraw/zinc/24/31/42/216243142.db2.gz HBEVDGBWBYUHPL-UHFFFAOYSA-N 2 0 345.516 2.421 50 0 EEAARP Cc1cc(N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)cc[nH+]1 ZINC000072479514 216258909 /nfs/dbraw/zinc/25/89/09/216258909.db2.gz BLPBDTDUGGHSDF-IBGZPJMESA-N 2 0 330.476 2.161 50 0 EEAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]C2CCC2)ccc1OC ZINC000012314481 211343505 /nfs/dbraw/zinc/34/35/05/211343505.db2.gz JOBOZZJWMLVJBF-QGZVFWFLSA-N 2 0 336.476 2.419 50 0 EEAARP COc1ccc(C[NH2+]C2CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000015070403 462940905 /nfs/dbraw/zinc/94/09/05/462940905.db2.gz LTNQXTJBYXGYCK-QGZVFWFLSA-N 2 0 334.460 2.173 50 0 EEAARP CC[N@H+](C)C1(CNC(=O)c2ccc(C)c(OCC[NH3+])c2)CCCC1 ZINC000426490268 241296960 /nfs/dbraw/zinc/29/69/60/241296960.db2.gz VMYHVSAJCQXQKM-UHFFFAOYSA-N 2 0 333.476 2.327 50 0 EEAARP Cc1nc(C[NH3+])cc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000067605618 463024929 /nfs/dbraw/zinc/02/49/29/463024929.db2.gz OFPIHAOKKANYOF-UHFFFAOYSA-N 2 0 341.503 2.335 50 0 EEAARP Cc1ccc(OCC[NH3+])c(C(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)c1 ZINC000426478137 467142437 /nfs/dbraw/zinc/14/24/37/467142437.db2.gz YWKUDVPDEFVVRZ-OAHLLOKOSA-N 2 0 331.460 2.031 50 0 EEAARP CC(C)/C=C/C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000022926699 202095041 /nfs/dbraw/zinc/09/50/41/202095041.db2.gz LZMXSOALLRJLGK-XJDXJNMNSA-N 2 0 337.552 2.440 50 0 EEAARP Cc1cc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cc[nH+]1 ZINC000095352304 463066280 /nfs/dbraw/zinc/06/62/80/463066280.db2.gz KZHNKBXUPHMNNT-FQEVSTJZSA-N 2 0 342.487 2.303 50 0 EEAARP C[N@H+](CCc1ccccn1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023146104 678797501 /nfs/dbraw/zinc/79/75/01/678797501.db2.gz UAFBPHBWIIWCNG-UXHICEINSA-N 2 0 337.467 2.293 50 0 EEAARP CC[C@H]1C=CC[N@@H+]1Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000952974048 796117261 /nfs/dbraw/zinc/11/72/61/796117261.db2.gz VZKBLBMBSBNWEU-IBGZPJMESA-N 2 0 329.488 2.463 50 0 EEAARP CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC000952977393 796123342 /nfs/dbraw/zinc/12/33/42/796123342.db2.gz HYQFFBMAQQXNDN-ZDUSSCGKSA-N 2 0 326.872 2.404 50 0 EEAARP OC[C@H]1CCCC[N@@H+]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000828711034 800806160 /nfs/dbraw/zinc/80/61/60/800806160.db2.gz ZVLLXYUZFXUCJE-OAQYLSRUSA-N 2 0 345.531 2.130 50 0 EEAARP O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000215358510 241120410 /nfs/dbraw/zinc/12/04/10/241120410.db2.gz TUBXKWISBDYDTJ-LJQANCHMSA-N 2 0 327.472 2.173 50 0 EEAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccccc2Cn2cccn2)CC1 ZINC000072134525 203166789 /nfs/dbraw/zinc/16/67/89/203166789.db2.gz HMLQUIJHLWLIQA-FQEVSTJZSA-N 2 0 342.487 2.210 50 0 EEAARP Cc1sc2nc(CC[NH3+])nc(N3CC([NH+]4CCCCC4)C3)c2c1C ZINC000065525723 294081967 /nfs/dbraw/zinc/08/19/67/294081967.db2.gz HPUQGWFFJFPBCS-UHFFFAOYSA-N 2 0 345.516 2.484 50 0 EEAARP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091476083 462882666 /nfs/dbraw/zinc/88/26/66/462882666.db2.gz AJKGOOULNCJMCZ-PKOBYXMFSA-N 2 0 345.462 2.344 50 0 EEAARP C[NH+](C)CCCn1ccnc1C1CCN(c2cc[nH+]c(N)c2)CC1 ZINC000095374366 463071336 /nfs/dbraw/zinc/07/13/36/463071336.db2.gz FFBBKLSXKYRLSA-UHFFFAOYSA-N 2 0 328.464 2.196 50 0 EEAARP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)c1 ZINC000252509127 464975639 /nfs/dbraw/zinc/97/56/39/464975639.db2.gz YCVKDBRRBPLTCF-KRWDZBQOSA-N 2 0 344.503 2.082 50 0 EEAARP Cc1nncn1CC[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001506407573 1114598400 /nfs/dbraw/zinc/59/84/00/1114598400.db2.gz XFOUCBZWGDICRQ-UHFFFAOYSA-N 2 0 327.476 2.431 50 0 EEAARP Cc1c[nH+]ccc1N1CCCN(CC(=O)N2CCCCCC2)CC1 ZINC001529115045 1121323560 /nfs/dbraw/zinc/32/35/60/1121323560.db2.gz XPDVCEXJVBNGHX-UHFFFAOYSA-N 2 0 330.476 2.305 50 0 EEAARP CC[N@@H+]1CCC[C@@H]1CSc1nnc(C[NH3+])n1-c1ccc(F)cc1 ZINC000426697563 241328276 /nfs/dbraw/zinc/32/82/76/241328276.db2.gz PPDWZRCUXXUMDL-CQSZACIVSA-N 2 0 335.452 2.442 50 0 EEAARP Cc1c[nH]c(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000426621578 241318307 /nfs/dbraw/zinc/31/83/07/241318307.db2.gz HODYXICTJPLNLD-MRXNPFEDSA-N 2 0 327.432 2.134 50 0 EEAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2cc(-c3ccccn3)no2)CC1 ZINC000072128837 203165149 /nfs/dbraw/zinc/16/51/49/203165149.db2.gz FWCOGZBAHOCPKS-GOSISDBHSA-N 2 0 330.432 2.015 50 0 EEAARP C[N@@H+](CCc1ccccc1)CCN1CC2(CC[NH+](C)CC2)OC1=O ZINC000072431181 203223348 /nfs/dbraw/zinc/22/33/48/203223348.db2.gz YFQDXWUJNVFTIB-UHFFFAOYSA-N 2 0 331.460 2.078 50 0 EEAARP C[C@@H](C[NH+](C)C)OP(O[C@@H](C)C[NH+](C)C)O[C@@H](C)C[NH+](C)C ZINC000005515600 205773399 /nfs/dbraw/zinc/77/33/99/205773399.db2.gz DPNIWQYUHLLAAT-KKUMJFAQSA-N 3 0 337.445 2.113 50 0 EEAARP C[NH2+][C@H](C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1)c1ccccc1 ZINC000091965745 462916491 /nfs/dbraw/zinc/91/64/91/462916491.db2.gz CAHJRXOSJGFVDH-IBGZPJMESA-N 2 0 338.455 2.389 50 0 EEAARP CC[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@@H]1CC[NH+](C)C1 ZINC000067789683 463051876 /nfs/dbraw/zinc/05/18/76/463051876.db2.gz LXNJAKIXUZUXJN-CQSZACIVSA-N 2 0 329.444 2.310 50 0 EEAARP O[C@]1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000108464629 463605297 /nfs/dbraw/zinc/60/52/97/463605297.db2.gz YUZQIASQVBNGSD-OKYOBFRVSA-N 2 0 332.513 2.355 50 0 EEAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccncc3)C2)CC1 ZINC000071682157 203102208 /nfs/dbraw/zinc/10/22/08/203102208.db2.gz SOLSRODEZDNXRC-GOSISDBHSA-N 2 0 344.503 2.283 50 0 EEAARP c1nc2c(c(N3CCC[N@@H+](C4CCCCC4)CC3)n1)CC[NH2+]CC2 ZINC000072428442 203222478 /nfs/dbraw/zinc/22/24/78/203222478.db2.gz DNMBXBPXJLQBAE-UHFFFAOYSA-N 2 0 329.492 2.010 50 0 EEAARP Cc1cc(NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)nc(N)[nH+]1 ZINC000092065767 462924145 /nfs/dbraw/zinc/92/41/45/462924145.db2.gz UWAPTNKUWAACJN-UHFFFAOYSA-N 2 0 341.463 2.324 50 0 EEAARP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)c1 ZINC000252509128 464975774 /nfs/dbraw/zinc/97/57/74/464975774.db2.gz YCVKDBRRBPLTCF-QGZVFWFLSA-N 2 0 344.503 2.082 50 0 EEAARP COc1cc(C[NH2+]C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000014964010 1226369761 /nfs/dbraw/zinc/36/97/61/1226369761.db2.gz LABCAKATJYJQOZ-INIZCTEOSA-N 2 0 336.476 2.419 50 0 EEAARP C[N@@H+]1CCCCC[C@H]1C(=O)NC1CC[NH+](C2CCSCC2)CC1 ZINC000952988949 796157379 /nfs/dbraw/zinc/15/73/79/796157379.db2.gz ARXANYXVLFCOSF-KRWDZBQOSA-N 2 0 339.549 2.337 50 0 EEAARP Cc1cc(C[C@@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]2O)on1 ZINC001529109986 1121318643 /nfs/dbraw/zinc/31/86/43/1121318643.db2.gz IJJJKXDCBXEBKB-QAPCUYQASA-N 2 0 333.476 2.131 50 0 EEAARP C[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000015069180 201950232 /nfs/dbraw/zinc/95/02/32/201950232.db2.gz SBGJRYVPBLJFIC-KRWDZBQOSA-N 2 0 336.476 2.420 50 0 EEAARP NC(=O)C1CC[NH+](CCCC[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000030911232 202199935 /nfs/dbraw/zinc/19/99/35/202199935.db2.gz MUFSEYREUHNDAO-UHFFFAOYSA-N 2 0 329.897 2.469 50 0 EEAARP C[NH+](C)CCOc1cccc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)c1 ZINC000215872482 241150860 /nfs/dbraw/zinc/15/08/60/241150860.db2.gz QJSVJUXYIFJRFB-LJQANCHMSA-N 2 0 348.487 2.133 50 0 EEAARP CC[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@H]1CC[NH+](C)C1 ZINC000067789685 463052155 /nfs/dbraw/zinc/05/21/55/463052155.db2.gz LXNJAKIXUZUXJN-AWEZNQCLSA-N 2 0 329.444 2.310 50 0 EEAARP CCOc1ccc2[nH]c(=O)c(C[N@H+](C)C[C@@H]3CC[NH+](C)C3)cc2c1 ZINC000067856871 463058844 /nfs/dbraw/zinc/05/88/44/463058844.db2.gz ZNQOMJHTNZMCSG-CQSZACIVSA-N 2 0 329.444 2.310 50 0 EEAARP C[C@@H]1C[C@H](Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C[N@@H+]1C1CC1 ZINC000108366530 463601383 /nfs/dbraw/zinc/60/13/83/463601383.db2.gz GWWPRTAQTSFSQU-LJHODMEESA-N 2 0 342.487 2.173 50 0 EEAARP CC[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCc1ccccc1)C2 ZINC000426471340 467142479 /nfs/dbraw/zinc/14/24/79/467142479.db2.gz JVJPREPNXGTIQS-NRFANRHFSA-N 2 0 343.515 2.495 50 0 EEAARP C[NH+]1CCC(N2CC[N@H+](CCCC3CCCC3)C[C@@H]2CCO)CC1 ZINC000020537912 683571081 /nfs/dbraw/zinc/57/10/81/683571081.db2.gz AKLCISJVBANJGR-FQEVSTJZSA-N 2 0 337.552 2.420 50 0 EEAARP C[NH+](C)[C@H]1CCN(CC(=O)Nc2ccccc2C[NH+]2CCCCC2)C1 ZINC000828075209 800586268 /nfs/dbraw/zinc/58/62/68/800586268.db2.gz WLVLPMLSJSPPIA-SFHVURJKSA-N 2 0 344.503 2.247 50 0 EEAARP [NH3+]Cc1cn(C2CC[NH+](Cc3ccc([C@@H]4CCCCO4)o3)CC2)nn1 ZINC000023337953 202101258 /nfs/dbraw/zinc/10/12/58/202101258.db2.gz ZWSHEFPUMKNJRI-KRWDZBQOSA-N 2 0 345.447 2.409 50 0 EEAARP [NH3+]CCOc1cccc(C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)c1 ZINC000426613645 241318423 /nfs/dbraw/zinc/31/84/23/241318423.db2.gz PNRMNYAAHVINAQ-KRWDZBQOSA-N 2 0 331.460 2.115 50 0 EEAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CC[NH3+])CC2)C1 ZINC000091526775 462886858 /nfs/dbraw/zinc/88/68/58/462886858.db2.gz VYRZUYOHXKPEPC-SFHVURJKSA-N 2 0 329.488 2.453 50 0 EEAARP COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C3([NH3+])CCC3)C2)c(C)c1 ZINC000067983216 463076699 /nfs/dbraw/zinc/07/66/99/463076699.db2.gz JLVSRAIZUHJGGQ-MRXNPFEDSA-N 2 0 345.487 2.213 50 0 EEAARP [NH3+][C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000299764167 465884416 /nfs/dbraw/zinc/88/44/16/465884416.db2.gz XJDUWVHODQWZON-WCIQWLHISA-N 2 0 339.483 2.132 50 0 EEAARP CC(C)C[NH+]1CCC(CN(C)Cc2nc(-c3cnccn3)no2)CC1 ZINC000012575424 788319047 /nfs/dbraw/zinc/31/90/47/788319047.db2.gz DUYGCGYAIYDZQO-UHFFFAOYSA-N 2 0 344.463 2.326 50 0 EEAARP Nc1cc[nH+]cc1-c1cccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000426409243 241279938 /nfs/dbraw/zinc/27/99/38/241279938.db2.gz GEIOBJZUWXWEES-KRWDZBQOSA-N 2 0 336.439 2.471 50 0 EEAARP CC[N@@H+]1CCC[C@@H]1CSc1nnc(C[NH3+])n1-c1cccc(OC)c1 ZINC000426429075 241285206 /nfs/dbraw/zinc/28/52/06/241285206.db2.gz ZJQGMEIHYMPWHO-CQSZACIVSA-N 2 0 347.488 2.311 50 0 EEAARP Cc1ccccc1[C@@H](CNc1ncnc2c1CC[NH2+]CC2)[NH+](C)C ZINC000072473505 203231285 /nfs/dbraw/zinc/23/12/85/203231285.db2.gz FQZGPFGIOTXPBI-GOSISDBHSA-N 2 0 325.460 2.188 50 0 EEAARP O=C1CC[C@]2(CCC[N@@H+](C3CC[NH2+]CC3)C2)CN1Cc1ccncc1 ZINC000072469719 463511459 /nfs/dbraw/zinc/51/14/59/463511459.db2.gz FCIDVOJHZRKUCM-FQEVSTJZSA-N 2 0 342.487 2.038 50 0 EEAARP [NH3+]C1CC(c2cc(N3CC[NH+](CCc4ccccc4)CC3)ncn2)C1 ZINC000223590368 464145569 /nfs/dbraw/zinc/14/55/69/464145569.db2.gz QWNIHEMNEPUZJS-UHFFFAOYSA-N 2 0 337.471 2.046 50 0 EEAARP Cc1c[nH+]ccc1NCCNC(=O)C1([NH+]2CCCC2)CCCCC1 ZINC000827661128 800498439 /nfs/dbraw/zinc/49/84/39/800498439.db2.gz GQWBFELKSHENTI-UHFFFAOYSA-N 2 0 330.476 2.139 50 0 EEAARP OC1(C[NH+]2CCCC2)CC[NH+]([C@H]2CCN(c3ccccc3)C2)CC1 ZINC001506407061 1114598209 /nfs/dbraw/zinc/59/82/09/1114598209.db2.gz LWIOCQBGIVLOAR-IBGZPJMESA-N 2 0 329.488 2.188 50 0 EEAARP Cc1cc(C)n(C[C@H](C)[NH+]2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)n1 ZINC000020820376 202054919 /nfs/dbraw/zinc/05/49/19/202054919.db2.gz WNEGEFZUVBIBSA-HNNXBMFYSA-N 2 0 345.495 2.011 50 0 EEAARP CCC[C@@H](CNc1nc(-c2ccncc2)nc2c1CC[NH2+]C2)[NH+](C)C ZINC000067867454 463059561 /nfs/dbraw/zinc/05/95/61/463059561.db2.gz HNZFDBBSPMYJFE-HNNXBMFYSA-N 2 0 340.475 2.327 50 0 EEAARP C[NH+](C)CC1(CO)CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001772709939 1179300296 /nfs/dbraw/zinc/30/02/96/1179300296.db2.gz MZXPISWZAAIDPA-UHFFFAOYSA-N 2 0 326.868 2.355 50 0 EEAARP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H]1[C@@H](CCO)C2CCN1CC2 ZINC000031371840 1367047557 /nfs/dbraw/zinc/04/75/57/1367047557.db2.gz GQKINSNJXWWLPV-YTQUADARSA-N 2 0 325.541 2.179 50 0 EEAARP C[C@@H](C[N@H+]1CCC(=O)N(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000299755875 258074415 /nfs/dbraw/zinc/07/44/15/258074415.db2.gz DUGGLJPGBBGISZ-SFHVURJKSA-N 2 0 329.488 2.420 50 0 EEAARP Cc1ccccc1[C@@H](CNc1nc(C)nc2c1CC[NH2+]C2)[NH+](C)C ZINC000067678303 281357207 /nfs/dbraw/zinc/35/72/07/281357207.db2.gz OHTMKZGWHNFMRT-GOSISDBHSA-N 2 0 325.460 2.454 50 0 EEAARP [NH3+]CCc1ccc(OCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000031978079 463360488 /nfs/dbraw/zinc/36/04/88/463360488.db2.gz ZREZOPFRRAEYMO-UHFFFAOYSA-N 2 0 325.456 2.389 50 0 EEAARP OC[C@H]1CC[N@H+](CCCN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000670445117 485644565 /nfs/dbraw/zinc/64/45/65/485644565.db2.gz ZFUFFKNYLMOJJB-INIZCTEOSA-N 2 0 337.895 2.166 50 0 EEAARP Cc1ncc2c(c1-c1noc(C[C@H]3CCCC[N@H+]3C)n1)CC[NH2+]C2 ZINC000020233772 1229491167 /nfs/dbraw/zinc/49/11/67/1229491167.db2.gz OPEDJWAHJCOOJE-CQSZACIVSA-N 2 0 327.432 2.113 50 0 EEAARP c1ccc(C[NH+]2CCC3(CC2)C[N@@H+]([C@H]2CCSC2)CCO3)nc1 ZINC000820430468 798579851 /nfs/dbraw/zinc/57/98/51/798579851.db2.gz BOOWLVAOFBOWPI-KRWDZBQOSA-N 2 0 333.501 2.254 50 0 EEAARP O=C(c1cccs1)N1CCC([N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000067743805 215202236 /nfs/dbraw/zinc/20/22/36/215202236.db2.gz CKCZZALAJIGXQQ-UHFFFAOYSA-N 2 0 333.501 2.428 50 0 EEAARP CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072427966 216218553 /nfs/dbraw/zinc/21/85/53/216218553.db2.gz SBPUGODDJRPSAB-GOSISDBHSA-N 2 0 345.487 2.118 50 0 EEAARP Cc1cc(N2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)cc[nH+]1 ZINC000072479515 216259260 /nfs/dbraw/zinc/25/92/60/216259260.db2.gz BLPBDTDUGGHSDF-LJQANCHMSA-N 2 0 330.476 2.161 50 0 EEAARP CC(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](c3nnc(CO)n3C3CC3)C2)CC1 ZINC000244564028 243038940 /nfs/dbraw/zinc/03/89/40/243038940.db2.gz CLGVGPINZIHMKY-FZNQNYSPSA-N 2 0 347.507 2.061 50 0 EEAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(Oc2ccc(C)cc2)CC[NH2+]CC1 ZINC000065407872 279308760 /nfs/dbraw/zinc/30/87/60/279308760.db2.gz SAWJXRPYUOAIOT-QGZVFWFLSA-N 2 0 345.487 2.097 50 0 EEAARP CSCCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000012704796 462863699 /nfs/dbraw/zinc/86/36/99/462863699.db2.gz DOBSPISSVHXDIP-OAHLLOKOSA-N 2 0 339.549 2.195 50 0 EEAARP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000106779207 463534943 /nfs/dbraw/zinc/53/49/43/463534943.db2.gz HVUPOJOCNCOXOH-QZTJIDSGSA-N 2 0 345.487 2.326 50 0 EEAARP Cc1cc(C)cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c1 ZINC000020993485 1229648392 /nfs/dbraw/zinc/64/83/92/1229648392.db2.gz REHCZGZBVRNTAA-NRFANRHFSA-N 2 0 345.531 2.266 50 0 EEAARP COc1ccc(C[NH2+]CC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004539318 210216611 /nfs/dbraw/zinc/21/66/11/210216611.db2.gz XHIDEXZXYXIKAG-SPYBWZPUSA-N 2 0 336.476 2.275 50 0 EEAARP Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)CC2=CC[NH2+]CC2)C1 ZINC000067673077 215177473 /nfs/dbraw/zinc/17/74/73/215177473.db2.gz DXMMOAXDIRDZFT-SFHVURJKSA-N 2 0 327.472 2.243 50 0 EEAARP CCCSc1ncc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)cn1 ZINC000072151088 216039751 /nfs/dbraw/zinc/03/97/51/216039751.db2.gz GHVUHWGHLOLMRU-KRWDZBQOSA-N 2 0 338.521 2.257 50 0 EEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1cccnc1)CC[NH+](C)CC2 ZINC000072407994 216199231 /nfs/dbraw/zinc/19/92/31/216199231.db2.gz XWYPOLFBSRSGGA-GOSISDBHSA-N 2 0 344.503 2.236 50 0 EEAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NC(C)(C)Cc1ccc(F)cc1)CC[NH2+]CC2 ZINC000072469398 216249170 /nfs/dbraw/zinc/24/91/70/216249170.db2.gz FPHSGANDHCWIJZ-QGZVFWFLSA-N 2 0 347.478 2.337 50 0 EEAARP Cc1cc(N2CCC([NH2+]CCc3ccccc3C)CC2)nc(N)[nH+]1 ZINC000095352388 218286246 /nfs/dbraw/zinc/28/62/46/218286246.db2.gz IQJGDBXZMXLNHL-UHFFFAOYSA-N 2 0 325.460 2.477 50 0 EEAARP Cc1c[nH+]ccc1N1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC000095376816 218309792 /nfs/dbraw/zinc/30/97/92/218309792.db2.gz KLGBHDFXWYPBSC-UHFFFAOYSA-N 2 0 330.476 2.305 50 0 EEAARP O=C1CC[N@H+](Cc2ccc(F)cc2)CCN1CC[NH+]1CCCCC1 ZINC000011972570 462840419 /nfs/dbraw/zinc/84/04/19/462840419.db2.gz DYMYHLVTGHSEBH-UHFFFAOYSA-N 2 0 333.451 2.346 50 0 EEAARP CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)[C@@H]1C=CC[NH2+]1 ZINC000095501149 463096828 /nfs/dbraw/zinc/09/68/28/463096828.db2.gz NEJKJNNHSVKCPF-IBGZPJMESA-N 2 0 345.462 2.067 50 0 EEAARP COc1cc(CN2CC[NH2+]C[C@H]2C)ccc1OCC[NH+]1CCCCC1 ZINC000215174605 536761197 /nfs/dbraw/zinc/76/11/97/536761197.db2.gz MRRYYRNJPYNJMT-QGZVFWFLSA-N 2 0 347.503 2.354 50 0 EEAARP CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(N3CC[NH+](CCO)CC3)CC1)=CC2 ZINC000952860098 796038208 /nfs/dbraw/zinc/03/82/08/796038208.db2.gz DRWUNTDIFKFLJC-ICSRJNTNSA-N 2 0 347.547 2.053 50 0 EEAARP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC000020205919 212112706 /nfs/dbraw/zinc/11/27/06/212112706.db2.gz QUYDLZBBLBCSOO-LJQANCHMSA-N 2 0 347.478 2.433 50 0 EEAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](C2CCSCC2)CC1 ZINC000014953233 462934917 /nfs/dbraw/zinc/93/49/17/462934917.db2.gz CTIPHMQAAGLLGD-UHFFFAOYSA-N 2 0 327.538 2.052 50 0 EEAARP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C[NH3+])C1 ZINC000601012350 468718873 /nfs/dbraw/zinc/71/88/73/468718873.db2.gz BARXDJJIPJZAFU-QFBILLFUSA-N 2 0 331.460 2.314 50 0 EEAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccccc3)C[C@H]2CCO)CC1 ZINC000104555467 219394162 /nfs/dbraw/zinc/39/41/62/219394162.db2.gz AEGWBKPDYAPWFE-OAQYLSRUSA-N 2 0 345.531 2.428 50 0 EEAARP C[NH+](C)CCCN1CC2(CC[NH+](Cc3ccsc3)CC2)OC1=O ZINC000072457704 216242254 /nfs/dbraw/zinc/24/22/54/216242254.db2.gz ZBNGLRMPOFTZFH-UHFFFAOYSA-N 2 0 337.489 2.487 50 0 EEAARP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCCCC3)cc2)CC1 ZINC000007114833 462721877 /nfs/dbraw/zinc/72/18/77/462721877.db2.gz FHAHDTKRXVWVSP-UHFFFAOYSA-N 2 0 330.476 2.253 50 0 EEAARP COc1cccc(CN2[C@@H]3CC[C@H]2C[NH2+]CC3)c1OCCC[NH+](C)C ZINC000244882599 537107597 /nfs/dbraw/zinc/10/75/97/537107597.db2.gz XUUROIRZMDDMAR-MSOLQXFVSA-N 2 0 347.503 2.352 50 0 EEAARP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H]1[C@@H](CCO)C2CCN1CC2 ZINC000031371848 1367352337 /nfs/dbraw/zinc/35/23/37/1367352337.db2.gz GQKINSNJXWWLPV-WDSOQIARSA-N 2 0 325.541 2.179 50 0 EEAARP CCc1nc(C)c(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)[nH]1 ZINC000065396788 462764309 /nfs/dbraw/zinc/76/43/09/462764309.db2.gz QZFAWJLGJCTMRW-MRXNPFEDSA-N 2 0 333.524 2.128 50 0 EEAARP CC(C)[C@@H]1CN(C(=O)C2([NH3+])CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071422342 463416067 /nfs/dbraw/zinc/41/60/67/463416067.db2.gz SNLIONVUSKYQKZ-KRWDZBQOSA-N 2 0 333.451 2.376 50 0 EEAARP COCC[N@@H+]1CC[C@@H](CNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000670452060 485647528 /nfs/dbraw/zinc/64/75/28/485647528.db2.gz MJJDUYIECIUGAK-HNNXBMFYSA-N 2 0 339.524 2.018 50 0 EEAARP CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000426473563 536024968 /nfs/dbraw/zinc/02/49/68/536024968.db2.gz LHUFOGASILKYAN-IBGZPJMESA-N 2 0 344.503 2.244 50 0 EEAARP O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c[nH+]cn2c1 ZINC000423495944 539943671 /nfs/dbraw/zinc/94/36/71/539943671.db2.gz FUWICNLAROQVAL-MSOLQXFVSA-N 2 0 338.386 2.349 50 0 EEAARP Cc1cc(N2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)cc(C)[nH+]1 ZINC000072435179 216228908 /nfs/dbraw/zinc/22/89/08/216228908.db2.gz GPPBXPLJCUDCII-HXUWFJFHSA-N 2 0 344.503 2.469 50 0 EEAARP COc1ccc(OC)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000004987437 210351624 /nfs/dbraw/zinc/35/16/24/210351624.db2.gz BPFPDMPZCLLMLD-UHFFFAOYSA-N 2 0 337.508 2.409 50 0 EEAARP Cc1ccc([C@@H](C)CC[NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)o1 ZINC000215959641 258071989 /nfs/dbraw/zinc/07/19/89/258071989.db2.gz ZULGWMMYEPYUFA-KRWDZBQOSA-N 2 0 349.519 2.156 50 0 EEAARP C[NH+](C)[C@@H]1CCCN(CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000252490567 464966626 /nfs/dbraw/zinc/96/66/26/464966626.db2.gz KWYUQUAHIPADNN-LJQANCHMSA-N 2 0 330.520 2.225 50 0 EEAARP COc1ccc(-c2n[nH]cc2C[NH2+]CCNc2cc[nH+]cc2C)cc1 ZINC000952970282 796102069 /nfs/dbraw/zinc/10/20/69/796102069.db2.gz SKMONGGKZJIVEU-UHFFFAOYSA-N 2 0 337.427 2.412 50 0 EEAARP Cc1c[nH+]ccc1-n1nc(-c2ccccc2)nc1C[C@H]1C[NH2+]CCO1 ZINC000067910393 215248897 /nfs/dbraw/zinc/24/88/97/215248897.db2.gz SFOSHKAIJYBTJJ-INIZCTEOSA-N 2 0 335.411 2.169 50 0 EEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cc(C)no1)CC[NH+](C)CC2 ZINC000072475356 216253040 /nfs/dbraw/zinc/25/30/40/216253040.db2.gz CXUPQGACBUYMEM-KRWDZBQOSA-N 2 0 348.491 2.138 50 0 EEAARP CC[N@@H+]1CCC[C@H]1CSc1nnc(C[NH3+])n1-c1ccc(F)cc1 ZINC000426697562 241327261 /nfs/dbraw/zinc/32/72/61/241327261.db2.gz PPDWZRCUXXUMDL-AWEZNQCLSA-N 2 0 335.452 2.442 50 0 EEAARP Nc1nc(NCC2([NH+]3CCCCC3)CCCC2)cc(C2CC([NH3+])C2)n1 ZINC000223611604 241672042 /nfs/dbraw/zinc/67/20/42/241672042.db2.gz WNIMBNNYCWXETO-UHFFFAOYSA-N 2 0 344.507 2.474 50 0 EEAARP c1ccc(-c2nc3c(c(N4CC[N@@H+]5CCC[C@@H]5C4)n2)CC[NH2+]C3)cc1 ZINC000067755315 463047669 /nfs/dbraw/zinc/04/76/69/463047669.db2.gz UVYCJIJZVLMBNB-MRXNPFEDSA-N 2 0 335.455 2.074 50 0 EEAARP C[NH+](C)[C@H]1CCN(c2ncnc3c2CC[N@H+](CC2CCCC2)CC3)C1 ZINC000072424413 463510683 /nfs/dbraw/zinc/51/06/83/463510683.db2.gz IHVOALPJDZJXCB-KRWDZBQOSA-N 2 0 343.519 2.208 50 0 EEAARP O[C@@H]1CN(C2CSCCSC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000014981216 1226386001 /nfs/dbraw/zinc/38/60/01/1226386001.db2.gz SCEZJOXALMHQNF-HZPDHXFCSA-N 2 0 330.563 2.146 50 0 EEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccncc1C)CC[NH+](C)CC2 ZINC000072412390 216204726 /nfs/dbraw/zinc/20/47/26/216204726.db2.gz XBPDSJGTXAKLTQ-GOSISDBHSA-N 2 0 344.503 2.203 50 0 EEAARP Cc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cc1C ZINC000095366479 218299019 /nfs/dbraw/zinc/29/90/19/218299019.db2.gz KINCUXXKACTSJL-WOJBJXKFSA-N 2 0 346.515 2.109 50 0 EEAARP CC[NH+](CC)[C@@H]1CCN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000012459377 462853462 /nfs/dbraw/zinc/85/34/62/462853462.db2.gz DQRTWRXIVBNPQU-GOSISDBHSA-N 2 0 329.488 2.028 50 0 EEAARP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000097200845 463346476 /nfs/dbraw/zinc/34/64/76/463346476.db2.gz AQKZWUCKRUGURH-KRWDZBQOSA-N 2 0 330.476 2.382 50 0 EEAARP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C[NH3+])C1 ZINC000601012348 468718984 /nfs/dbraw/zinc/71/89/84/468718984.db2.gz BARXDJJIPJZAFU-APWZRJJASA-N 2 0 331.460 2.314 50 0 EEAARP OC1(c2cccc(C(F)(F)F)c2)CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102399286 219199940 /nfs/dbraw/zinc/19/99/40/219199940.db2.gz PWAGBQPEDQUJSQ-ZSHCYNCHSA-N 2 0 340.389 2.454 50 0 EEAARP CCOc1ccc2[nH]c(=O)c(C[N@H+](C)C[C@H]3CC[NH+](C)C3)cc2c1 ZINC000067856872 215233865 /nfs/dbraw/zinc/23/38/65/215233865.db2.gz ZNQOMJHTNZMCSG-AWEZNQCLSA-N 2 0 329.444 2.310 50 0 EEAARP O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000215358551 241121389 /nfs/dbraw/zinc/12/13/89/241121389.db2.gz TUBXKWISBDYDTJ-IBGZPJMESA-N 2 0 327.472 2.173 50 0 EEAARP COc1ccc(C[N@H+](C)C[C@H]2COCCO2)cc1C[NH+]1CCCC1 ZINC000215550899 241132420 /nfs/dbraw/zinc/13/24/20/241132420.db2.gz CBALECBWELTGSK-SFHVURJKSA-N 2 0 334.460 2.138 50 0 EEAARP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000030660551 463308184 /nfs/dbraw/zinc/30/81/84/463308184.db2.gz JBIAJCUQTGYCAW-UHFFFAOYSA-N 2 0 326.444 2.132 50 0 EEAARP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H]1[C@H](CCO)C2CCN1CC2 ZINC000090729510 1276722633 /nfs/dbraw/zinc/72/26/33/1276722633.db2.gz GQKINSNJXWWLPV-UHOSZYNNSA-N 2 0 325.541 2.179 50 0 EEAARP [NH3+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(Cl)s3)CC[C@H]21 ZINC000072422807 216211400 /nfs/dbraw/zinc/21/14/00/216211400.db2.gz WHPNVFVNJBOTJU-WCQYABFASA-N 2 0 327.881 2.173 50 0 EEAARP CC[N@@H+]1CCC[C@@H]1CSc1nnc(C[NH3+])n1Cc1ccccc1 ZINC000426711957 241330695 /nfs/dbraw/zinc/33/06/95/241330695.db2.gz BJILUABZQAGKIP-OAHLLOKOSA-N 2 0 331.489 2.362 50 0 EEAARP COc1ccc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)cc1OC ZINC000218879579 241350647 /nfs/dbraw/zinc/35/06/47/241350647.db2.gz RBDFVKYFYIFLDF-UHFFFAOYSA-N 2 0 348.487 2.374 50 0 EEAARP C[NH+](C)Cc1csc(CN2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c1 ZINC000091908122 218086920 /nfs/dbraw/zinc/08/69/20/218086920.db2.gz IPTZRHKOBZLAPW-AEFFLSMTSA-N 2 0 339.549 2.334 50 0 EEAARP Cc1ccc(C[NH+]2CCC(C(=O)NC3CC[NH+](C)CC3)CC2)cc1 ZINC000071754825 463421712 /nfs/dbraw/zinc/42/17/12/463421712.db2.gz CPUCGSCDGABZSJ-UHFFFAOYSA-N 2 0 329.488 2.417 50 0 EEAARP Cc1cc(N2CCCN(c3cc(C4CC([NH3+])C4)ncn3)CC2)cc[nH+]1 ZINC000223006047 464135947 /nfs/dbraw/zinc/13/59/47/464135947.db2.gz XWCYTSHOFMXYEU-UHFFFAOYSA-N 2 0 338.459 2.101 50 0 EEAARP COc1cc(CN2CC[C@H]([NH3+])C2)ccc1OCC[NH+]1CCCCC1 ZINC000215906590 536768724 /nfs/dbraw/zinc/76/87/24/536768724.db2.gz PTQQONKWUBVBAU-KRWDZBQOSA-N 2 0 333.476 2.093 50 0 EEAARP Cc1cc(C)cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c1 ZINC000039421373 213236183 /nfs/dbraw/zinc/23/61/83/213236183.db2.gz REHCZGZBVRNTAA-OAQYLSRUSA-N 2 0 345.531 2.266 50 0 EEAARP CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccc(-n2ccnc2C)cc1 ZINC000095530334 485486943 /nfs/dbraw/zinc/48/69/43/485486943.db2.gz KVLRVDYVKCVFOZ-IRXDYDNUSA-N 2 0 343.431 2.021 50 0 EEAARP Cc1ccsc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000039532136 213239273 /nfs/dbraw/zinc/23/92/73/213239273.db2.gz IPQYDJIMUGPGOM-QGZVFWFLSA-N 2 0 337.533 2.019 50 0 EEAARP O=C1OC2(CN1CCc1ccccc1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC000072479138 216258979 /nfs/dbraw/zinc/25/89/79/216258979.db2.gz CIFCHKIBOOCGQH-UHFFFAOYSA-N 2 0 343.471 2.268 50 0 EEAARP COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000110701015 220057683 /nfs/dbraw/zinc/05/76/83/220057683.db2.gz DAZOITAIQVWYEG-QGZVFWFLSA-N 2 0 345.487 2.212 50 0 EEAARP COc1ccc([C@H]2CN(c3nc(N(C)C)[nH+]c(C)c3C)C[C@@H]2[NH3+])cc1 ZINC000091974096 218096738 /nfs/dbraw/zinc/09/67/38/218096738.db2.gz FCNFSHRDINPKAU-SJORKVTESA-N 2 0 341.459 2.099 50 0 EEAARP Cc1ccc(CC2(NC(=O)[C@@H]3CC4(C[N@H+]3C)CC[NH2+]CC4)CC2)cc1 ZINC000072473991 292092579 /nfs/dbraw/zinc/09/25/79/292092579.db2.gz FSTVOOOSDJETAA-SFHVURJKSA-N 2 0 341.499 2.260 50 0 EEAARP COCC[N@@H+]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000824412344 800265212 /nfs/dbraw/zinc/26/52/12/800265212.db2.gz GTKYPRPJXOPFND-KRWDZBQOSA-N 2 0 331.460 2.189 50 0 EEAARP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C[C@H]2[C@@H]4C[NH2+]C[C@H]24)C3)cc1 ZINC000102736720 219226498 /nfs/dbraw/zinc/22/64/98/219226498.db2.gz PMGANBDYZANGRG-GBMAXXPESA-N 2 0 341.499 2.057 50 0 EEAARP C[N@@H+]1CC2(C[C@H]1C(=O)NC(C)(C)Cc1ccc(F)cc1)CC[NH2+]CC2 ZINC000072469397 216249033 /nfs/dbraw/zinc/24/90/33/216249033.db2.gz FPHSGANDHCWIJZ-KRWDZBQOSA-N 2 0 347.478 2.337 50 0 EEAARP COc1ccc(C[NH2+]CC[C@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000012489391 211393136 /nfs/dbraw/zinc/39/31/36/211393136.db2.gz XHIDEXZXYXIKAG-DOXZYTNZSA-N 2 0 336.476 2.275 50 0 EEAARP Cc1c[nH+]ccc1N1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000095390986 218322632 /nfs/dbraw/zinc/32/26/32/218322632.db2.gz VUMJTUOJAJUAFN-UHFFFAOYSA-N 2 0 330.476 2.159 50 0 EEAARP CC(C)c1nccc(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000077287600 278080540 /nfs/dbraw/zinc/08/05/40/278080540.db2.gz PRXSWGYNMVXVEF-KRWDZBQOSA-N 2 0 345.535 2.448 50 0 EEAARP [NH3+]C1CC[NH+](C2CCN(c3ccc(N4CCCC4=O)cc3)CC2)CC1 ZINC000063884791 462680165 /nfs/dbraw/zinc/68/01/65/462680165.db2.gz JCBZBCDXWIEYHI-UHFFFAOYSA-N 2 0 342.487 2.205 50 0 EEAARP C[C@H](CN(C)c1nc(CC[NH3+])nc2ccccc21)C[NH+]1CCCC1 ZINC000065525683 462790014 /nfs/dbraw/zinc/79/00/14/462790014.db2.gz NQZRKSBGKNPLTH-OAHLLOKOSA-N 2 0 327.476 2.299 50 0 EEAARP [NH3+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc4occc4c3)CC[C@H]21 ZINC000072430631 216224232 /nfs/dbraw/zinc/22/42/32/216224232.db2.gz MJGGUBODCKZHBV-DLBZAZTESA-N 2 0 327.428 2.204 50 0 EEAARP [NH3+]CCOc1cccc(CC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000426489547 241297136 /nfs/dbraw/zinc/29/71/36/241297136.db2.gz MMNXFFKXPJECRP-UHFFFAOYSA-N 2 0 345.487 2.044 50 0 EEAARP COc1ccc([C@@H]2C[N@@H+](C3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095375971 218308786 /nfs/dbraw/zinc/30/87/86/218308786.db2.gz UAKQKJBSOSJQHI-PWRODBHTSA-N 2 0 341.499 2.309 50 0 EEAARP Cc1[nH+]c(N2CCCC2)nc(NCC2([NH+](C)C)CCOCC2)c1C ZINC000065426023 462768635 /nfs/dbraw/zinc/76/86/35/462768635.db2.gz NUYSQIZAUIICFH-UHFFFAOYSA-N 2 0 333.480 2.216 50 0 EEAARP COc1ccc(C[NH2+]C2CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000015070402 462940256 /nfs/dbraw/zinc/94/02/56/462940256.db2.gz LTNQXTJBYXGYCK-KRWDZBQOSA-N 2 0 334.460 2.173 50 0 EEAARP Cc1cc(N2CCN(C(=O)CC[N@H+]3CCC[C@H](C)C3)CC2)cc(C)[nH+]1 ZINC000020997875 463032347 /nfs/dbraw/zinc/03/23/47/463032347.db2.gz UDWDGNXSSGMVTL-INIZCTEOSA-N 2 0 344.503 2.469 50 0 EEAARP C[NH+](C)CCOC1CC[NH+](Cc2cnc(N3CCCCC3)nc2)CC1 ZINC000215733083 535893820 /nfs/dbraw/zinc/89/38/20/535893820.db2.gz KEZBBZVCDYOKLT-UHFFFAOYSA-N 2 0 347.507 2.010 50 0 EEAARP OC1(C[NH+]2CCCC2)CC[NH+](C[C@@]2(c3ccccc3)CCOC2)CC1 ZINC000215768726 285235784 /nfs/dbraw/zinc/23/57/84/285235784.db2.gz ADTCDDVPBYUEGG-FQEVSTJZSA-N 2 0 344.499 2.267 50 0 EEAARP C[NH+]1CCC(n2ncc3c2NC(=O)C[C@@H]3[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000248119738 289898645 /nfs/dbraw/zinc/89/86/45/289898645.db2.gz JOGFJGYOTOUVEQ-VNHYZAJKSA-N 2 0 331.464 2.093 50 0 EEAARP Cc1nc([C@@H]2CCC[NH2+]C2)cc(N2CCCC3(CC[NH2+]CC3)C2)n1 ZINC000067714655 293373179 /nfs/dbraw/zinc/37/31/79/293373179.db2.gz IQJAEAWWXJEFFV-MRXNPFEDSA-N 2 0 329.492 2.222 50 0 EEAARP Cc1cc(C)n(C[C@H]2CCCN2C[C@@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000106785808 463535608 /nfs/dbraw/zinc/53/56/08/463535608.db2.gz XBQSEGWUCYCBGG-MOPGFXCFSA-N 2 0 334.508 2.057 50 0 EEAARP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000108460793 463605163 /nfs/dbraw/zinc/60/51/63/463605163.db2.gz LFGXZMQRGFMNEB-ROUUACIJSA-N 2 0 347.528 2.205 50 0 EEAARP O=C1CC[N@H+](C/C=C/c2ccccc2)CCN1CC[NH+]1CCCC1 ZINC000299770054 465886141 /nfs/dbraw/zinc/88/61/41/465886141.db2.gz LFHLVCYYCIWMOZ-RMKNXTFCSA-N 2 0 327.472 2.330 50 0 EEAARP CC(C)[NH+]1CCC([C@H]2[NH2+][C@@H](CO)[C@H]3CN(c4ccccc4)C[C@H]32)CC1 ZINC000065426762 803070513 /nfs/dbraw/zinc/07/05/13/803070513.db2.gz FHKWGJNSAQQVMT-JSXRDJHFSA-N 2 0 343.515 2.192 50 0 EEAARP CCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1 ZINC000072411481 216204071 /nfs/dbraw/zinc/20/40/71/216204071.db2.gz ROSBWKANLLLQLP-FUHWJXTLSA-N 2 0 345.487 2.247 50 0 EEAARP COc1ccc(C[NH2+]CC2CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000014980063 1226385196 /nfs/dbraw/zinc/38/51/96/1226385196.db2.gz IUYUVGRYAUTFFV-QGZVFWFLSA-N 2 0 336.476 2.275 50 0 EEAARP COc1ccc(OC[C@H](O)C[NH2+]CCC[NH+](C)C)c(C(C)(C)C)c1 ZINC000003418300 210034300 /nfs/dbraw/zinc/03/43/00/210034300.db2.gz SCYKYXYWQMGQAB-OAHLLOKOSA-N 2 0 338.492 2.274 50 0 EEAARP CO[C@]12CC[N@H+](Cc3cccc(OCC[NH+](C)C)c3)[C@H]1C[C@H](O)CC2 ZINC000299766447 258081679 /nfs/dbraw/zinc/08/16/79/258081679.db2.gz OHMAQQRZMMSPGQ-YZGWKJHDSA-N 2 0 348.487 2.131 50 0 EEAARP C[NH+](C)CC1(CO)CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095501081 463096273 /nfs/dbraw/zinc/09/62/73/463096273.db2.gz ALIHMCPDKOMLEG-KRWDZBQOSA-N 2 0 332.488 2.264 50 0 EEAARP CCc1cnc(C)nc1N1CCN(Cc2ccco2)[C@@H](CCO)C1 ZINC000106263469 463508300 /nfs/dbraw/zinc/50/83/00/463508300.db2.gz RPUOCYBYKLPYAS-INIZCTEOSA-N 2 0 330.432 2.014 50 0 EEAARP [NH3+]C1CC(c2cc(NC3CC[NH+](Cc4ccncc4)CC3)ncn2)C1 ZINC000222788898 464133669 /nfs/dbraw/zinc/13/36/69/464133669.db2.gz JFARZTZYLASGLG-UHFFFAOYSA-N 2 0 338.459 2.153 50 0 EEAARP C[NH+](C)CC[C@@H](Nc1ncnc2c1CC[NH2+]CC2)c1ccccc1 ZINC000072426039 216215889 /nfs/dbraw/zinc/21/58/89/216215889.db2.gz PXUGFYNCFUMLCH-QGZVFWFLSA-N 2 0 325.460 2.270 50 0 EEAARP COc1ccc(C[N@H+](C)C[C@@H]2COCCO2)cc1C[NH+]1CCCC1 ZINC000215550853 241131502 /nfs/dbraw/zinc/13/15/02/241131502.db2.gz CBALECBWELTGSK-GOSISDBHSA-N 2 0 334.460 2.138 50 0 EEAARP Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095370263 218302328 /nfs/dbraw/zinc/30/23/28/218302328.db2.gz QMUBFRLSAIHMAV-MRXNPFEDSA-N 2 0 342.443 2.423 50 0 EEAARP CC(C)(C)[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000426518162 467143170 /nfs/dbraw/zinc/14/31/70/467143170.db2.gz BLLZZVJNJPLDQL-QGZVFWFLSA-N 2 0 332.492 2.455 50 0 EEAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000004560050 210220788 /nfs/dbraw/zinc/22/07/88/210220788.db2.gz GLUREOHGIBHVHK-UHFFFAOYSA-N 2 0 347.503 2.365 50 0 EEAARP Cc1c2ccccc2oc1CNC(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072144641 216030429 /nfs/dbraw/zinc/03/04/29/216030429.db2.gz RSEWYYMBBAHVIJ-OAHLLOKOSA-N 2 0 327.428 2.089 50 0 EEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](C/C=C/c3ccc(F)cc3)CC[C@H]21 ZINC000072409778 216201127 /nfs/dbraw/zinc/20/11/27/216201127.db2.gz CDPWTBGKZQZQLH-OYYPXDIRSA-N 2 0 345.462 2.371 50 0 EEAARP Cc1ccccc1[C@H](CNc1ncnc2c1CC[NH2+]CC2)[NH+](C)C ZINC000072473506 216249771 /nfs/dbraw/zinc/24/97/71/216249771.db2.gz FQZGPFGIOTXPBI-SFHVURJKSA-N 2 0 325.460 2.188 50 0 EEAARP CC[NH+]1CCC(C(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)CC1 ZINC000097553380 219035491 /nfs/dbraw/zinc/03/54/91/219035491.db2.gz UPMFPPLSTQEGJR-IBGZPJMESA-N 2 0 344.503 2.457 50 0 EEAARP c1cn(-c2ccc(C[NH+]3CCCC3)cc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072421175 216208905 /nfs/dbraw/zinc/20/89/05/216208905.db2.gz PEUCCAIKBRTNAG-UHFFFAOYSA-N 2 0 348.454 2.435 50 0 EEAARP C(Nc1nc(CC2CC2)nc2c1CC[NH2+]CC2)C12CCC[NH+]1CCC2 ZINC000072440788 216235170 /nfs/dbraw/zinc/23/51/70/216235170.db2.gz BREPQKSPIQUXGP-UHFFFAOYSA-N 2 0 341.503 2.158 50 0 EEAARP COC(=O)c1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000023280398 212366637 /nfs/dbraw/zinc/36/66/37/212366637.db2.gz GEOHQXPXUOAJOA-UHFFFAOYSA-N 2 0 335.492 2.179 50 0 EEAARP Cc1ccccc1[C@H](CNc1nc(C)nc2c1CC[NH2+]C2)[NH+](C)C ZINC000067678305 281384790 /nfs/dbraw/zinc/38/47/90/281384790.db2.gz OHTMKZGWHNFMRT-SFHVURJKSA-N 2 0 325.460 2.454 50 0 EEAARP Cc1nn(CCN2CC[NH+](C)CC2)cc1C[NH2+]Cc1ccccc1C ZINC000065399062 462764374 /nfs/dbraw/zinc/76/43/74/462764374.db2.gz DNPNKOQIBICTQJ-UHFFFAOYSA-N 2 0 341.503 2.037 50 0 EEAARP O=C1OC2(CN1CCc1ccccc1)CC[NH+](C[C@H]1CC[NH2+]C1)CC2 ZINC000077541318 463003493 /nfs/dbraw/zinc/00/34/93/463003493.db2.gz YPCVMIUXAGPJFF-SFHVURJKSA-N 2 0 343.471 2.125 50 0 EEAARP C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000823764750 798763682 /nfs/dbraw/zinc/76/36/82/798763682.db2.gz CJUOJMNKBVMKIN-GOSISDBHSA-N 2 0 343.471 2.488 50 0 EEAARP O=C(NCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1ccc(F)cc1 ZINC000067675423 215180706 /nfs/dbraw/zinc/18/07/06/215180706.db2.gz DNYHWTOFEICTOP-UHFFFAOYSA-N 2 0 333.451 2.458 50 0 EEAARP Cc1cc(C)cc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)c1 ZINC000092078339 218115885 /nfs/dbraw/zinc/11/58/85/218115885.db2.gz CACDHEXEQPFLDF-NHCUHLMSSA-N 2 0 346.515 2.048 50 0 EEAARP Oc1cccc([C@@H]2C[N@@H+](C3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095383719 218316236 /nfs/dbraw/zinc/31/62/36/218316236.db2.gz OCOKWGBFUGUDJE-XUVXKRRUSA-N 2 0 327.472 2.006 50 0 EEAARP COc1ccc(-n2ccnc2C[NH2+]CCNc2cc[nH+]cc2C)cc1 ZINC000952991794 796134629 /nfs/dbraw/zinc/13/46/29/796134629.db2.gz VSHZEEKNFNXXTC-UHFFFAOYSA-N 2 0 337.427 2.208 50 0 EEAARP CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC000020205915 202035982 /nfs/dbraw/zinc/03/59/82/202035982.db2.gz QUYDLZBBLBCSOO-IBGZPJMESA-N 2 0 347.478 2.433 50 0 EEAARP CCCCN(Cc1cccnc1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072462571 203228627 /nfs/dbraw/zinc/22/86/27/203228627.db2.gz TZVOTRVVFUYJQK-GOSISDBHSA-N 2 0 344.503 2.284 50 0 EEAARP C[NH+]1CCC(Oc2ccc(NC(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000299787307 258093648 /nfs/dbraw/zinc/09/36/48/258093648.db2.gz SPLVQEMRIRIBNK-HNNXBMFYSA-N 2 0 332.448 2.033 50 0 EEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1ccco1)CC[NH+](C)CC2 ZINC000072419637 203219319 /nfs/dbraw/zinc/21/93/19/203219319.db2.gz OSIIWGVFNYBFMH-QGZVFWFLSA-N 2 0 333.476 2.135 50 0 EEAARP COCCn1c(C[NH+]2CCCCCCCC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244700945 285189535 /nfs/dbraw/zinc/18/95/35/285189535.db2.gz JWXQGDSUUHJSIC-IYBDPMFKSA-N 2 0 335.496 2.285 50 0 EEAARP COc1ccc(C[NH2+]CC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000012489380 462854155 /nfs/dbraw/zinc/85/41/55/462854155.db2.gz XHIDEXZXYXIKAG-KHYOSLBOSA-N 2 0 336.476 2.275 50 0 EEAARP [NH3+]CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)cc1 ZINC000091270187 462868565 /nfs/dbraw/zinc/86/85/65/462868565.db2.gz ZEULNAQBUMSJBB-VQTJNVASSA-N 2 0 341.499 2.411 50 0 EEAARP CC[N@H+](CCO)C[C@@H]1C[NH+](Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091602872 462891617 /nfs/dbraw/zinc/89/16/17/462891617.db2.gz DUOHFUGWFPGREW-WOJBJXKFSA-N 2 0 342.483 2.194 50 0 EEAARP Nc1nc([C@@H]2CCOC2)cc(N2CCC[N@@H+](C3CCCCC3)CC2)n1 ZINC000426582868 467144178 /nfs/dbraw/zinc/14/41/78/467144178.db2.gz RMGRUMNEMXUFNI-OAHLLOKOSA-N 2 0 345.491 2.408 50 0 EEAARP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C[NH3+])C1 ZINC000601012351 468718621 /nfs/dbraw/zinc/71/86/21/468718621.db2.gz BARXDJJIPJZAFU-VQIMIIECSA-N 2 0 331.460 2.314 50 0 EEAARP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1C ZINC000585136874 468987742 /nfs/dbraw/zinc/98/77/42/468987742.db2.gz WQWKWLGBENXBOE-QYZOEREBSA-N 2 0 332.488 2.235 50 0 EEAARP Cc1sc2nc(CC[NH3+])nc(N[C@H]3C[NH+]4CCC3CC4)c2c1C ZINC000065423297 803059492 /nfs/dbraw/zinc/05/94/92/803059492.db2.gz QIZGNKPCGGXERK-ZDUSSCGKSA-N 2 0 331.489 2.315 50 0 EEAARP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000426689885 241327654 /nfs/dbraw/zinc/32/76/54/241327654.db2.gz PRLFENMAQBKKTH-KRWDZBQOSA-N 2 0 345.491 2.096 50 0 EEAARP Cc1c2ccccc2oc1CNC(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072144638 203169699 /nfs/dbraw/zinc/16/96/99/203169699.db2.gz RSEWYYMBBAHVIJ-HNNXBMFYSA-N 2 0 327.428 2.089 50 0 EEAARP O[C@]1(C[NH+]2CCC(COc3ccc4c(c3)CCC4)CC2)CCC[NH2+]C1 ZINC000072481091 285376385 /nfs/dbraw/zinc/37/63/85/285376385.db2.gz HNCSRCXDJPRNJV-OAQYLSRUSA-N 2 0 344.499 2.381 50 0 EEAARP CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)C[NH+](C)C ZINC000011879335 462840947 /nfs/dbraw/zinc/84/09/47/462840947.db2.gz PVNNZDAZQGHXFY-UHFFFAOYSA-N 2 0 335.467 2.100 50 0 EEAARP Cc1ccc(C)c(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c1 ZINC000039542523 463451164 /nfs/dbraw/zinc/45/11/64/463451164.db2.gz DBQKRNRKXKRICF-OAQYLSRUSA-N 2 0 345.531 2.266 50 0 EEAARP COc1cc(CN2CCC[C@@H]([NH3+])C2)ccc1OCC[NH+]1CCCCC1 ZINC000216140709 536753082 /nfs/dbraw/zinc/75/30/82/536753082.db2.gz ITNGEKHDYPSSAC-GOSISDBHSA-N 2 0 347.503 2.483 50 0 EEAARP CC[C@@H]1C=CC[N@@H+]1Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000952974096 796117061 /nfs/dbraw/zinc/11/70/61/796117061.db2.gz VZKBLBMBSBNWEU-LJQANCHMSA-N 2 0 329.488 2.463 50 0 EEAARP CCc1cc(N2CCN(c3cc[nH+]cc3)CC2)nc(N2CCCC2)[nH+]1 ZINC001529197926 1121365668 /nfs/dbraw/zinc/36/56/68/1121365668.db2.gz ZATARZDRVXKUDY-UHFFFAOYSA-N 2 0 338.459 2.361 50 0 EEAARP COc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000030660518 202197084 /nfs/dbraw/zinc/19/70/84/202197084.db2.gz KHTYCGHUQPPERT-UHFFFAOYSA-N 2 0 326.444 2.132 50 0 EEAARP C[C@@H](C1CC[NH+](Cc2ccc(N(C)C)nc2)CC1)[NH+]1CCOCC1 ZINC000072417923 203218839 /nfs/dbraw/zinc/21/88/39/203218839.db2.gz BUOXKDCGOXPDKD-INIZCTEOSA-N 2 0 332.492 2.080 50 0 EEAARP Cc1cc(N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)cc(C)[nH+]1 ZINC000072435176 203223785 /nfs/dbraw/zinc/22/37/85/203223785.db2.gz GPPBXPLJCUDCII-FQEVSTJZSA-N 2 0 344.503 2.469 50 0 EEAARP Cc1ccc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)o1 ZINC000091746417 462903249 /nfs/dbraw/zinc/90/32/49/462903249.db2.gz LDWZXJJEKAXSLI-KRWDZBQOSA-N 2 0 345.487 2.497 50 0 EEAARP CCC[NH+](CCC)Cc1ccc(C(=O)N2CCO[C@H](CC[NH3+])C2)cc1 ZINC000065418755 462767257 /nfs/dbraw/zinc/76/72/57/462767257.db2.gz MMPULAFECXBYNH-LJQANCHMSA-N 2 0 347.503 2.498 50 0 EEAARP CC[NH+]1CCC(CC(=O)N2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000095353382 463066426 /nfs/dbraw/zinc/06/64/26/463066426.db2.gz FVHSVFZCTGUYAX-UHFFFAOYSA-N 2 0 330.476 2.161 50 0 EEAARP COCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000952980733 796129211 /nfs/dbraw/zinc/12/92/11/796129211.db2.gz KTIJSIKISAQILS-ZDUSSCGKSA-N 2 0 328.359 2.066 50 0 EEAARP Cc1c[nH+]ccc1NCC[NH2+][C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000828256393 800651052 /nfs/dbraw/zinc/65/10/52/800651052.db2.gz DICUJPNCCLQHNZ-SFHVURJKSA-N 2 0 338.455 2.005 50 0 EEAARP CCCCN(Cc1cccnc1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072462570 203228644 /nfs/dbraw/zinc/22/86/44/203228644.db2.gz TZVOTRVVFUYJQK-SFHVURJKSA-N 2 0 344.503 2.284 50 0 EEAARP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)CC1 ZINC000015065085 462939918 /nfs/dbraw/zinc/93/99/18/462939918.db2.gz HLPGWAKJLFHXIU-GOSISDBHSA-N 2 0 333.451 2.391 50 0 EEAARP COc1ccc(-n2cccn2)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000067806007 463053636 /nfs/dbraw/zinc/05/36/36/463053636.db2.gz XLRHFVYDEBOOPI-UHFFFAOYSA-N 2 0 326.444 2.456 50 0 EEAARP Cc1cc[nH+]c(NCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)c1 ZINC000095352197 463067110 /nfs/dbraw/zinc/06/71/10/463067110.db2.gz LTONOPHRMORYSG-MRXNPFEDSA-N 2 0 342.443 2.423 50 0 EEAARP C[C@@H](CNc1nc(-c2ccccn2)nc2c1CC[NH2+]CC2)n1ccnc1 ZINC000072426313 1253494075 /nfs/dbraw/zinc/49/40/75/1253494075.db2.gz UEHMAGDQOLEMNY-AWEZNQCLSA-N 2 0 349.442 2.096 50 0 EEAARP CCC[NH+]1CCC(CC(=O)NCc2c(C)ncc3c2CC[NH2+]C3)CC1 ZINC000077456165 203389828 /nfs/dbraw/zinc/38/98/28/203389828.db2.gz YELMNOIJNHOBIN-UHFFFAOYSA-N 2 0 344.503 2.164 50 0 EEAARP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000584895659 468958887 /nfs/dbraw/zinc/95/88/87/468958887.db2.gz IEDHVSFWIZTRMP-SFHVURJKSA-N 2 0 330.476 2.128 50 0 EEAARP C[NH+](C)CCOc1cccc(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)c1 ZINC000215872522 282110540 /nfs/dbraw/zinc/11/05/40/282110540.db2.gz QJSVJUXYIFJRFB-IBGZPJMESA-N 2 0 348.487 2.133 50 0 EEAARP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccc2c[nH+]cn2c1 ZINC000423495947 539943658 /nfs/dbraw/zinc/94/36/58/539943658.db2.gz FUWICNLAROQVAL-ZWKOTPCHSA-N 2 0 338.386 2.349 50 0 EEAARP Cc1ccc(COc2ccccc2CN2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC000426620292 241318161 /nfs/dbraw/zinc/31/81/61/241318161.db2.gz UUPSPIFSAWLTTD-RTBURBONSA-N 2 0 326.440 2.468 50 0 EEAARP COCc1nc(NCCNc2cc[nH+]cc2C)cc(C2CC([NH3+])C2)n1 ZINC000222905473 241577366 /nfs/dbraw/zinc/57/73/66/241577366.db2.gz DAHAEUGADGWYDT-UHFFFAOYSA-N 2 0 342.447 2.055 50 0 EEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cccnc1)CC[NH+](C)CC2 ZINC000072407995 203215635 /nfs/dbraw/zinc/21/56/35/203215635.db2.gz XWYPOLFBSRSGGA-SFHVURJKSA-N 2 0 344.503 2.236 50 0 EEAARP CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)C[NH+](C)C ZINC000011769789 462840149 /nfs/dbraw/zinc/84/01/49/462840149.db2.gz HSNWONWOICLKEF-MRXNPFEDSA-N 2 0 335.467 2.100 50 0 EEAARP COc1cccc(N2CCC([N@@H+]3CCO[C@@H](CC[NH+](C)C)C3)CC2)c1 ZINC000019885298 683517909 /nfs/dbraw/zinc/51/79/09/683517909.db2.gz XNJMIYXGHSOBNH-FQEVSTJZSA-N 2 0 347.503 2.317 50 0 EEAARP CSCC[NH+]1CCC(NC(=O)C2([NH+]3CCCC3)CCCC2)CC1 ZINC000952990347 796160514 /nfs/dbraw/zinc/16/05/14/796160514.db2.gz MFEQFMQPOZCRIX-UHFFFAOYSA-N 2 0 339.549 2.339 50 0 EEAARP Cc1cc(C)c(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)c(-n2cccn2)c1 ZINC000825124464 800315010 /nfs/dbraw/zinc/31/50/10/800315010.db2.gz FEVHXTNMGXCXQQ-UHFFFAOYSA-N 2 0 340.471 2.444 50 0 EEAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2cc(-c3ccccn3)no2)CC1 ZINC000072128836 216019382 /nfs/dbraw/zinc/01/93/82/216019382.db2.gz FWCOGZBAHOCPKS-SFHVURJKSA-N 2 0 330.432 2.015 50 0 EEAARP [NH3+]CCOc1ccc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000426503058 241299378 /nfs/dbraw/zinc/29/93/78/241299378.db2.gz DUPOEKAVNJXZLL-GOSISDBHSA-N 2 0 345.487 2.044 50 0 EEAARP Cc1ccc([C@H](C)CC[NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)o1 ZINC000215959687 258072334 /nfs/dbraw/zinc/07/23/34/258072334.db2.gz ZULGWMMYEPYUFA-QGZVFWFLSA-N 2 0 349.519 2.156 50 0 EEAARP C=Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)C3CC[NH2+]CC3)C2)c1 ZINC000067871930 215236506 /nfs/dbraw/zinc/23/65/06/215236506.db2.gz WRORRNQJCMGTPD-GOSISDBHSA-N 2 0 327.472 2.267 50 0 EEAARP [NH3+]C[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]CC3)C1 ZINC000072423216 216211701 /nfs/dbraw/zinc/21/17/01/216211701.db2.gz QVCGKDBENNMRTR-HNNXBMFYSA-N 2 0 337.471 2.007 50 0 EEAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCC(N)=O)CC2)C1 ZINC000091551052 218021856 /nfs/dbraw/zinc/02/18/56/218021856.db2.gz FKGKOSROZVZLOW-SFHVURJKSA-N 2 0 329.488 2.453 50 0 EEAARP O=C1NCC2(CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)O1 ZINC000299792534 258097830 /nfs/dbraw/zinc/09/78/30/258097830.db2.gz FXMWELCZPHXASH-QGZVFWFLSA-N 2 0 329.444 2.083 50 0 EEAARP COc1cc(C[NH2+]C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000014964014 1226369907 /nfs/dbraw/zinc/36/99/07/1226369907.db2.gz LABCAKATJYJQOZ-MRXNPFEDSA-N 2 0 336.476 2.419 50 0 EEAARP Cc1sc2nc(CC[NH3+])nc(N[C@@H]3C[NH+]4CCC3CC4)c2c1C ZINC000065423295 803058806 /nfs/dbraw/zinc/05/88/06/803058806.db2.gz QIZGNKPCGGXERK-CYBMUJFWSA-N 2 0 331.489 2.315 50 0 EEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccccc1)CC[NH+](C)CC2 ZINC000072430607 216223778 /nfs/dbraw/zinc/22/37/78/216223778.db2.gz PJIOIIVUVCNCLW-SFHVURJKSA-N 2 0 329.488 2.499 50 0 EEAARP C[NH+](C)CCSc1nnc(C[NH3+])n1-c1cccc(C(F)(F)F)c1 ZINC000426691120 241328677 /nfs/dbraw/zinc/32/86/77/241328677.db2.gz BSTSAMGARDNMJE-UHFFFAOYSA-N 2 0 345.394 2.399 50 0 EEAARP Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)cc1OCC[NH3+] ZINC000426541216 241306213 /nfs/dbraw/zinc/30/62/13/241306213.db2.gz GUSPMQWDVMUKDZ-GOSISDBHSA-N 2 0 345.487 2.423 50 0 EEAARP Cc1ccsc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000020539294 212146126 /nfs/dbraw/zinc/14/61/26/212146126.db2.gz IPQYDJIMUGPGOM-KRWDZBQOSA-N 2 0 337.533 2.019 50 0 EEAARP Cc1cc(C)c2[nH]c(C[NH2+][C@H]3COC4(C3)CC[NH2+]CC4)cc(=O)c2c1 ZINC000095391355 218322512 /nfs/dbraw/zinc/32/25/12/218322512.db2.gz LDJQPGRBAZSXHT-MRXNPFEDSA-N 2 0 341.455 2.146 50 0 EEAARP COc1ccc2cc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)c(=O)[nH]c2c1 ZINC000067712694 215191420 /nfs/dbraw/zinc/19/14/20/215191420.db2.gz IQPTYOSEVXSWAU-CQSZACIVSA-N 2 0 329.444 2.310 50 0 EEAARP Cc1cc(N2CCCN(C(=O)[C@@H]([NH3+])C3CCCCC3)CC2)cc[nH+]1 ZINC000091452502 218008594 /nfs/dbraw/zinc/00/85/94/218008594.db2.gz USDUKDJWBGSMRK-SFHVURJKSA-N 2 0 330.476 2.336 50 0 EEAARP Cc1ccc2ccccc2c1C[NH+]1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000091793786 218067463 /nfs/dbraw/zinc/06/74/63/218067463.db2.gz SEASIHAWRMKMGF-RTBURBONSA-N 2 0 342.483 2.113 50 0 EEAARP [NH3+]CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)c1 ZINC000092046426 218111029 /nfs/dbraw/zinc/11/10/29/218111029.db2.gz LTBZQTYEBPTFBG-VQTJNVASSA-N 2 0 341.499 2.411 50 0 EEAARP C[C@H](C[NH+](C)C)OP(O[C@@H](C)C[NH+](C)C)O[C@@H](C)C[NH+](C)C ZINC000005515601 462662109 /nfs/dbraw/zinc/66/21/09/462662109.db2.gz DPNIWQYUHLLAAT-SOUVJXGZSA-N 3 0 337.445 2.113 50 0 EEAARP CCc1c(C)nn(CC[NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)c1C ZINC000063847599 462677329 /nfs/dbraw/zinc/67/73/29/462677329.db2.gz JLNNPWAWQNEPRD-RTBURBONSA-N 2 0 334.508 2.031 50 0 EEAARP COCCN(C(=O)CC[NH+]1CCCCCCC1)C1CC[NH+](C)CC1 ZINC000063883018 462680234 /nfs/dbraw/zinc/68/02/34/462680234.db2.gz TWWZWLLLZPNDEE-UHFFFAOYSA-N 2 0 339.524 2.212 50 0 EEAARP CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)[C@H]1C=CC[NH2+]1 ZINC000095501150 463096513 /nfs/dbraw/zinc/09/65/13/463096513.db2.gz NEJKJNNHSVKCPF-LJQANCHMSA-N 2 0 345.462 2.067 50 0 EEAARP Cc1ccc(C)c(OC[C@H](O)C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1C ZINC000585136873 468987786 /nfs/dbraw/zinc/98/77/86/468987786.db2.gz WQWKWLGBENXBOE-CEXWTWQISA-N 2 0 332.488 2.235 50 0 EEAARP Cc1nc([C@H]2CCC[NH2+]C2)cc(N2CCCC3(CC[NH2+]CC3)C2)n1 ZINC000067714656 293391034 /nfs/dbraw/zinc/39/10/34/293391034.db2.gz IQJAEAWWXJEFFV-INIZCTEOSA-N 2 0 329.492 2.222 50 0 EEAARP Cc1cc(C[NH+]2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)on1 ZINC000091351273 462875132 /nfs/dbraw/zinc/87/51/32/462875132.db2.gz AMTXYPWAYICBFD-UHFFFAOYSA-N 2 0 348.491 2.139 50 0 EEAARP Cc1c[nH+]ccc1N1CCC[N@H+](CC(C)(C)N2CCOCC2)CC1 ZINC000077506100 462996722 /nfs/dbraw/zinc/99/67/22/462996722.db2.gz NZJLJCOBVYSONR-UHFFFAOYSA-N 2 0 332.492 2.013 50 0 EEAARP Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1Cn1cncn1 ZINC000426477487 241295080 /nfs/dbraw/zinc/29/50/80/241295080.db2.gz ATYYADOJBUNFOP-HGKCTWBKSA-N 2 0 325.460 2.112 50 0 EEAARP CC(C)c1nccc(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000077287599 278080544 /nfs/dbraw/zinc/08/05/44/278080544.db2.gz PRXSWGYNMVXVEF-QGZVFWFLSA-N 2 0 345.535 2.448 50 0 EEAARP COc1ccc2cc(C[NH2+]CCNc3cc[nH+]cc3C)c(=O)[nH]c2c1 ZINC000952970199 796102059 /nfs/dbraw/zinc/10/20/59/796102059.db2.gz LLSLSPFVSVAVAT-UHFFFAOYSA-N 2 0 338.411 2.276 50 0 EEAARP COC(=O)COc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000072151352 216039733 /nfs/dbraw/zinc/03/97/33/216039733.db2.gz ZKCZXAWWCVHTBY-UHFFFAOYSA-N 2 0 332.444 2.204 50 0 EEAARP CCc1[nH+]c(N)nc(N2CCCN(c3cc[nH+]cc3C)CC2)c1C ZINC000091593504 218027797 /nfs/dbraw/zinc/02/77/97/218027797.db2.gz CIVCYAIZTQRLIY-UHFFFAOYSA-N 2 0 326.448 2.350 50 0 EEAARP CNC(=O)C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095353937 218288771 /nfs/dbraw/zinc/28/87/71/218288771.db2.gz HWEAYAAHUJUUQP-SFHVURJKSA-N 2 0 341.499 2.467 50 0 EEAARP CCCC[NH2+]CC(=O)Nc1ccc(NC(=O)C[NH2+]CCCC)cc1 ZINC000004894613 210314093 /nfs/dbraw/zinc/31/40/93/210314093.db2.gz YDDQHBPHUSUIJS-UHFFFAOYSA-N 2 0 334.464 2.343 50 0 EEAARP C[C@H](C1CC[NH+](Cc2cnc(N(C)C)s2)CC1)[NH+]1CCOCC1 ZINC000072473066 289408884 /nfs/dbraw/zinc/40/88/84/289408884.db2.gz YYRMOADFWYCKGP-CQSZACIVSA-N 2 0 338.521 2.142 50 0 EEAARP C[NH2+]CCC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013732608 462901994 /nfs/dbraw/zinc/90/19/94/462901994.db2.gz SXBJKZLHXOZQMI-UHFFFAOYSA-N 2 0 338.415 2.154 50 0 EEAARP CC[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000095508657 463099094 /nfs/dbraw/zinc/09/90/94/463099094.db2.gz KFPYJFJXQOLASJ-KRWDZBQOSA-N 2 0 336.476 2.373 50 0 EEAARP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)CCn2cnnc2)C1 ZINC000095529531 463105883 /nfs/dbraw/zinc/10/58/83/463105883.db2.gz CFKLYILLCABKBV-IBGZPJMESA-N 2 0 341.503 2.473 50 0 EEAARP CCc1cc(NCCC[N@@H+]2CCC[C@@H](CO)C2)nc(N2CCCC2)[nH+]1 ZINC001506415363 1114600343 /nfs/dbraw/zinc/60/03/43/1114600343.db2.gz WZCNAHAMYKZCJZ-MRXNPFEDSA-N 2 0 347.507 2.146 50 0 EEAARP CC(C)[NH+]1CCC(C[N@@H+]2CCN(Cc3ccco3)[C@H](CCO)C2)CC1 ZINC000055280896 214300443 /nfs/dbraw/zinc/30/04/43/214300443.db2.gz XDILVTJSHQXKPC-LJQANCHMSA-N 2 0 349.519 2.269 50 0 EEAARP O=C(CC1=CC[NH2+]CC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000067673776 215179519 /nfs/dbraw/zinc/17/95/19/215179519.db2.gz LAZXAQRLANRYGV-INIZCTEOSA-N 2 0 333.501 2.386 50 0 EEAARP Cc1cc(N2CCC([NH2+]CCSc3ccccn3)CC2)nc(N)[nH+]1 ZINC000095371350 218304019 /nfs/dbraw/zinc/30/40/19/218304019.db2.gz ASAIAKXCKJWOBC-UHFFFAOYSA-N 2 0 344.488 2.113 50 0 EEAARP CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000299800833 258104237 /nfs/dbraw/zinc/10/42/37/258104237.db2.gz VXFZDJPPPYJXII-QGZVFWFLSA-N 2 0 345.487 2.249 50 0 EEAARP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000097200846 463345238 /nfs/dbraw/zinc/34/52/38/463345238.db2.gz AQKZWUCKRUGURH-QGZVFWFLSA-N 2 0 330.476 2.382 50 0 EEAARP CN(C(=O)c1ccc(CC[NH3+])cc1)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001529158625 1121345937 /nfs/dbraw/zinc/34/59/37/1121345937.db2.gz GZNKBSFCXJIDOM-QGFMHUBQSA-N 2 0 329.488 2.379 50 0 EEAARP Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3CC[NH2+]CC3)C2)c(C)c1F ZINC000067919737 215249536 /nfs/dbraw/zinc/24/95/36/215249536.db2.gz RCLKHMQQDVKDDK-MRXNPFEDSA-N 2 0 347.478 2.380 50 0 EEAARP CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)c1 ZINC000072476808 216254745 /nfs/dbraw/zinc/25/47/45/216254745.db2.gz CVTZTPMOURZULJ-PKOBYXMFSA-N 2 0 345.487 2.118 50 0 EEAARP [NH3+]CCOc1ccc(CC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000426503060 241300993 /nfs/dbraw/zinc/30/09/93/241300993.db2.gz DUPOEKAVNJXZLL-SFHVURJKSA-N 2 0 345.487 2.044 50 0 EEAARP [NH3+]CCOc1cccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000426613646 241317775 /nfs/dbraw/zinc/31/77/75/241317775.db2.gz PNRMNYAAHVINAQ-QGZVFWFLSA-N 2 0 331.460 2.115 50 0 EEAARP [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095359374 218292740 /nfs/dbraw/zinc/29/27/40/218292740.db2.gz YLRSAKHGXZKGBL-OALUTQOASA-N 2 0 339.439 2.233 50 0 EEAARP O[C@@H](COc1ccccc1C[N@@H+]1CCCOCC1)C[NH+]1CCCCC1 ZINC000095516540 463100595 /nfs/dbraw/zinc/10/05/95/463100595.db2.gz NWHNJAZSVVZNPV-LJQANCHMSA-N 2 0 348.487 2.135 50 0 EEAARP C[NH+]1CCC(N2CC[N@H+](CCCC3CCCC3)C[C@H]2CCO)CC1 ZINC000828747012 800819353 /nfs/dbraw/zinc/81/93/53/800819353.db2.gz AKLCISJVBANJGR-HXUWFJFHSA-N 2 0 337.552 2.420 50 0 EEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccccc1)CC[NH+](C)CC2 ZINC000072430606 216223715 /nfs/dbraw/zinc/22/37/15/216223715.db2.gz PJIOIIVUVCNCLW-GOSISDBHSA-N 2 0 329.488 2.499 50 0 EEAARP O[C@]12CC[NH2+]C[C@H]1C[N@@H+](C1CCN(c3ccc(Cl)cc3)CC1)CC2 ZINC000091551386 218021902 /nfs/dbraw/zinc/02/19/02/218021902.db2.gz GFLVOZZUZNUPJJ-KXBFYZLASA-N 2 0 349.906 2.355 50 0 EEAARP CCN(CC[NH+]1CCCCCC1)C(=O)NCCNc1cc[nH+]cc1C ZINC000426622922 276124466 /nfs/dbraw/zinc/12/44/66/276124466.db2.gz KMDLDTNNZHUYNA-UHFFFAOYSA-N 2 0 347.507 2.131 50 0 EEAARP [NH3+]C1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)CC1 ZINC000426661281 279619348 /nfs/dbraw/zinc/61/93/48/279619348.db2.gz ORMSAVZIYOOYRJ-QGZVFWFLSA-N 2 0 334.439 2.095 50 0 EEAARP COCc1nc(C2CC([NH3+])C2)cc(N(C)CC[NH+]2CCCCCC2)n1 ZINC000222516428 485533091 /nfs/dbraw/zinc/53/30/91/485533091.db2.gz IAAUAZOFUVLAAJ-UHFFFAOYSA-N 2 0 347.507 2.140 50 0 EEAARP C[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000067604073 215167910 /nfs/dbraw/zinc/16/79/10/215167910.db2.gz PWQHCMOIJRHPGP-UHFFFAOYSA-N 2 0 333.451 2.248 50 0 EEAARP O=C(c1ccco1)N1CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067982756 215266550 /nfs/dbraw/zinc/26/65/50/215266550.db2.gz PXKYBEQMTOMGOO-UHFFFAOYSA-N 2 0 331.460 2.350 50 0 EEAARP COCC[N@H+](C)C[C@@H]1CN(c2cc(C)[nH+]c3ccccc32)C[C@@H]1CO ZINC000092038304 218108381 /nfs/dbraw/zinc/10/83/81/218108381.db2.gz CAYCMYQENZQTNZ-IAGOWNOFSA-N 2 0 343.471 2.166 50 0 EEAARP C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[NH+]3CCC[C@H]23)CC1 ZINC000299777047 258087021 /nfs/dbraw/zinc/08/70/21/258087021.db2.gz HZGJLTDJNHUSAT-OTWHNJEPSA-N 2 0 327.472 2.376 50 0 EEAARP CC(C)[N@@H+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1CCO ZINC000104631100 463417472 /nfs/dbraw/zinc/41/74/72/463417472.db2.gz WREKYLGYGWVVRH-OAQYLSRUSA-N 2 0 345.531 2.428 50 0 EEAARP C[N@@H+]1CC[C@](C)(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000584886508 468954975 /nfs/dbraw/zinc/95/49/75/468954975.db2.gz ZXJHCRFHBFFJQJ-IBGZPJMESA-N 2 0 329.488 2.108 50 0 EEAARP Cc1c[nH+]ccc1NCC[NH2+]C1CCN(C(=O)c2cccs2)CC1 ZINC000825253592 800322363 /nfs/dbraw/zinc/32/23/63/800322363.db2.gz OVDFVGSHWYQCQI-UHFFFAOYSA-N 2 0 344.484 2.180 50 0 EEAARP COc1ccc(C[NH2+]CC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004539323 210215948 /nfs/dbraw/zinc/21/59/48/210215948.db2.gz XHIDEXZXYXIKAG-CLCXKQKWSA-N 2 0 336.476 2.275 50 0 EEAARP CN1C[C@]2(CCC[N@H+](Cc3cccc(OCC[NH+](C)C)c3)C2)OC1=O ZINC000072429281 216220901 /nfs/dbraw/zinc/22/09/01/216220901.db2.gz AEDTYMNXAWEGJO-IBGZPJMESA-N 2 0 347.459 2.044 50 0 EEAARP CC[N@@H+](Cc1cnn(C)c1)C[C@H]1CC[C@@H](Cc2cccc(C[NH3+])c2)O1 ZINC000072459113 216244511 /nfs/dbraw/zinc/24/45/11/216244511.db2.gz BUKXBDSQRSDWLJ-VQTJNVASSA-N 2 0 342.487 2.491 50 0 EEAARP [NH3+][C@H]1CCN(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000426518999 241304732 /nfs/dbraw/zinc/30/47/32/241304732.db2.gz QELCIWLCRYLYST-SFHVURJKSA-N 2 0 330.476 2.031 50 0 EEAARP O[C@@]1(C[NH+]2CCC(COc3ccc4c(c3)CCC4)CC2)CCC[NH2+]C1 ZINC000072481090 285344821 /nfs/dbraw/zinc/34/48/21/285344821.db2.gz HNCSRCXDJPRNJV-NRFANRHFSA-N 2 0 344.499 2.381 50 0 EEAARP C[C@H](C[NH+](C)C)OP(O[C@H](C)C[NH+](C)C)O[C@@H](C)C[NH+](C)C ZINC000001785424 462586356 /nfs/dbraw/zinc/58/63/56/462586356.db2.gz DPNIWQYUHLLAAT-KFWWJZLASA-N 3 0 337.445 2.113 50 0 EEAARP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000584895658 468958931 /nfs/dbraw/zinc/95/89/31/468958931.db2.gz IEDHVSFWIZTRMP-GOSISDBHSA-N 2 0 330.476 2.128 50 0 EEAARP COCC[N@@H+]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000824412345 800265420 /nfs/dbraw/zinc/26/54/20/800265420.db2.gz GTKYPRPJXOPFND-QGZVFWFLSA-N 2 0 331.460 2.189 50 0 EEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cc(C)ccn1)CC[NH+](C)CC2 ZINC000072428202 216219484 /nfs/dbraw/zinc/21/94/84/216219484.db2.gz ABJNYKCBYWGHPJ-GOSISDBHSA-N 2 0 344.503 2.203 50 0 EEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1cc(CC)no1)CC[NH+](C)CC2 ZINC000072431295 216223476 /nfs/dbraw/zinc/22/34/76/216223476.db2.gz MMJRUESIDULFOU-KRWDZBQOSA-N 2 0 348.491 2.050 50 0 EEAARP [NH3+][C@H]1C[C@H](c2cc(NC3CC[NH+](Cc4cccnc4)CC3)ncn2)C1 ZINC000244626761 243046440 /nfs/dbraw/zinc/04/64/40/243046440.db2.gz FSIBLIOOIROLGQ-WKILWMFISA-N 2 0 338.459 2.153 50 0 EEAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCC(N)=O)CC2)C1 ZINC000091551050 218021798 /nfs/dbraw/zinc/02/17/98/218021798.db2.gz FKGKOSROZVZLOW-GOSISDBHSA-N 2 0 329.488 2.453 50 0 EEAARP CC[NH+](CC)[C@H]1CCN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000012459378 158864477 /nfs/dbraw/zinc/86/44/77/158864477.db2.gz DQRTWRXIVBNPQU-SFHVURJKSA-N 2 0 329.488 2.028 50 0 EEAARP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091746203 462903136 /nfs/dbraw/zinc/90/31/36/462903136.db2.gz FAKPFZYAJVFOAP-RBUKOAKNSA-N 2 0 329.488 2.451 50 0 EEAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccncc3)C2)CC1 ZINC000071682155 463419269 /nfs/dbraw/zinc/41/92/69/463419269.db2.gz SOLSRODEZDNXRC-SFHVURJKSA-N 2 0 344.503 2.283 50 0 EEAARP COC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000110713048 463662441 /nfs/dbraw/zinc/66/24/41/463662441.db2.gz RUJVCVFHSMLTAI-NVXWUHKLSA-N 2 0 332.444 2.268 50 0 EEAARP Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)CC2=CC[NH2+]CC2)C1 ZINC000067673076 215176734 /nfs/dbraw/zinc/17/67/34/215176734.db2.gz DXMMOAXDIRDZFT-GOSISDBHSA-N 2 0 327.472 2.243 50 0 EEAARP Cc1c[nH+]ccc1N1CCN(C(=O)CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000095386065 218318164 /nfs/dbraw/zinc/31/81/64/218318164.db2.gz PAWQKAOFBAYAIY-KRWDZBQOSA-N 2 0 330.476 2.161 50 0 EEAARP C[N@@H+]1C[C@@]2(C)CN(c3cc(C4CC[NH2+]CC4)ncn3)C[C@@](C)(C1)C2 ZINC000067973968 463075224 /nfs/dbraw/zinc/07/52/24/463075224.db2.gz DXZKCWKBYOQYFM-KDURUIRLSA-N 2 0 329.492 2.112 50 0 EEAARP CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000095527409 463105349 /nfs/dbraw/zinc/10/53/49/463105349.db2.gz KGPJGFHYZGWFFP-KRWDZBQOSA-N 2 0 335.467 2.448 50 0 EEAARP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2OCc2ccccn2)CC1 ZINC000223167657 464137195 /nfs/dbraw/zinc/13/71/95/464137195.db2.gz RKZCULRYRLPTFB-WOJBJXKFSA-N 2 0 347.503 2.466 50 0 EEAARP Cc1ccc(C)c(CCNC(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c1 ZINC000072409335 216201364 /nfs/dbraw/zinc/20/13/64/216201364.db2.gz FOKNAYUIKGURQO-SFHVURJKSA-N 2 0 329.488 2.036 50 0 EEAARP C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cc(F)ccc2OCCC[NH3+])C1 ZINC000299800739 258103961 /nfs/dbraw/zinc/10/39/61/258103961.db2.gz IOKQFZOPEZPQJC-AWEZNQCLSA-N 2 0 349.450 2.252 50 0 EEAARP Cc1cc(N2CCN(C(=O)CC[N@H+]3CCC[C@@H](C)C3)CC2)cc(C)[nH+]1 ZINC000020997873 463031656 /nfs/dbraw/zinc/03/16/56/463031656.db2.gz UDWDGNXSSGMVTL-MRXNPFEDSA-N 2 0 344.503 2.469 50 0 EEAARP CC[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000095508656 463099399 /nfs/dbraw/zinc/09/93/99/463099399.db2.gz KFPYJFJXQOLASJ-QGZVFWFLSA-N 2 0 336.476 2.373 50 0 EEAARP Cc1ccc([C@H](O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000106842815 463541789 /nfs/dbraw/zinc/54/17/89/463541789.db2.gz TWNPZRUJXIKJFW-FXAWDEMLSA-N 2 0 334.504 2.361 50 0 EEAARP Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000825145650 800316472 /nfs/dbraw/zinc/31/64/72/800316472.db2.gz MHQUOOFVBXYQTD-UHFFFAOYSA-N 2 0 326.444 2.135 50 0 EEAARP Cc1cc(C)n(C[C@H](C)[NH2+]CC2(N3CC[NH+](C)CC3)CCCC2)n1 ZINC001506397449 1114595447 /nfs/dbraw/zinc/59/54/47/1114595447.db2.gz NEMZPCFWJZCKAI-KRWDZBQOSA-N 2 0 333.524 2.038 50 0 EEAARP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OCC(=O)N3CCCC3)cc2)CC1 ZINC000097674111 219046329 /nfs/dbraw/zinc/04/63/29/219046329.db2.gz GYEMGPGUPHGDEO-KRWDZBQOSA-N 2 0 331.460 2.001 50 0 EEAARP C[C@@H](CN(C)c1nc(CC[NH3+])nc2ccccc21)C[NH+]1CCCC1 ZINC000065525685 295888712 /nfs/dbraw/zinc/88/87/12/295888712.db2.gz NQZRKSBGKNPLTH-HNNXBMFYSA-N 2 0 327.476 2.299 50 0 EEAARP Cc1cc(N2CCC[N@H+](Cc3ccc(OCCO)cc3)CC2)cc[nH+]1 ZINC000072164800 216053843 /nfs/dbraw/zinc/05/38/43/216053843.db2.gz IXAXEFNCSOVJSD-UHFFFAOYSA-N 2 0 341.455 2.473 50 0 EEAARP O=C(NCc1cc(Cl)cc(Cl)c1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072167576 216057520 /nfs/dbraw/zinc/05/75/20/216057520.db2.gz GQTCONYQUMZOLH-CQSZACIVSA-N 2 0 342.270 2.341 50 0 EEAARP CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072427965 216218958 /nfs/dbraw/zinc/21/89/58/216218958.db2.gz SBPUGODDJRPSAB-SFHVURJKSA-N 2 0 345.487 2.118 50 0 EEAARP C[NH+](C)Cc1csc(CN2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000072434207 216229437 /nfs/dbraw/zinc/22/94/37/216229437.db2.gz IOKVJCRHBFROOZ-QGZVFWFLSA-N 2 0 337.533 2.231 50 0 EEAARP C[NH+]1CCC(C(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000097515078 219032461 /nfs/dbraw/zinc/03/24/61/219032461.db2.gz WIFATAHWKLOWQZ-LJQANCHMSA-N 2 0 329.488 2.324 50 0 EEAARP Cc1cc2c(cn1)CN(C(=O)[C@@H]1CCC[N@@H+](C3CCN(C)CC3)C1)C2 ZINC000299783418 685337919 /nfs/dbraw/zinc/33/79/19/685337919.db2.gz ZDZMSQLOSDZJNG-MRXNPFEDSA-N 2 0 342.487 2.038 50 0 EEAARP Cc1ncc2c(c1-c1noc(C[C@@H]3CCCC[N@H+]3C)n1)CC[NH2+]C2 ZINC000020233775 1229491083 /nfs/dbraw/zinc/49/10/83/1229491083.db2.gz OPEDJWAHJCOOJE-AWEZNQCLSA-N 2 0 327.432 2.113 50 0 EEAARP OC[C@@H]1CCCC[N@@H+]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000828711033 800806201 /nfs/dbraw/zinc/80/62/01/800806201.db2.gz ZVLLXYUZFXUCJE-NRFANRHFSA-N 2 0 345.531 2.130 50 0 EEAARP CC[N@H+](C)C1(CNc2cc(C3CC([NH3+])C3)nc(N)n2)CCCCC1 ZINC000219311953 241376951 /nfs/dbraw/zinc/37/69/51/241376951.db2.gz NQTVHZHXZBTBLP-UHFFFAOYSA-N 2 0 332.496 2.330 50 0 EEAARP CC(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000091380866 462876870 /nfs/dbraw/zinc/87/68/70/462876870.db2.gz NQKOACKNVHPICZ-NHCUHLMSSA-N 2 0 345.531 2.098 50 0 EEAARP Cc1ccccc1C[NH+]1CCC(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000071754847 463421803 /nfs/dbraw/zinc/42/18/03/463421803.db2.gz BMJSJXHUHOYMLH-UHFFFAOYSA-N 2 0 329.488 2.417 50 0 EEAARP CC(C)[N@@H+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1CCO ZINC000020906181 212186134 /nfs/dbraw/zinc/18/61/34/212186134.db2.gz WREKYLGYGWVVRH-NRFANRHFSA-N 2 0 345.531 2.428 50 0 EEAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C[NH2+]C)CC2)C1 ZINC000091694322 218049588 /nfs/dbraw/zinc/04/95/88/218049588.db2.gz UKHQQJWGZZZGJN-GOSISDBHSA-N 2 0 329.488 2.324 50 0 EEAARP Fc1ccc([C@@H]2C[N@@H+](C3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095370842 218304136 /nfs/dbraw/zinc/30/41/36/218304136.db2.gz PHTJMGJEMSLQDQ-XUVXKRRUSA-N 2 0 329.463 2.440 50 0 EEAARP Cc1cc(N2CCC[C@](O)(C[NH+](C)C)C2)c2cc3c(cc2[nH+]1)OCO3 ZINC000072468872 463510587 /nfs/dbraw/zinc/51/05/87/463510587.db2.gz SPXXQJJHVVNPDA-IBGZPJMESA-N 2 0 343.427 2.165 50 0 EEAARP Cc1cc(C)n(C[C@@H](C)[NH2+]CC2(N3CC[NH+](C)CC3)CCCC2)n1 ZINC001506397459 1114595307 /nfs/dbraw/zinc/59/53/07/1114595307.db2.gz NEMZPCFWJZCKAI-QGZVFWFLSA-N 2 0 333.524 2.038 50 0 EEAARP Cc1c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(=O)n(-c2ccccc2)n1C ZINC000067866787 215235183 /nfs/dbraw/zinc/23/51/83/215235183.db2.gz CETIQKJQMXVUNR-UHFFFAOYSA-N 2 0 340.471 2.060 50 0 EEAARP Cc1ccc(C)c(CCNC(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c1 ZINC000072409336 216201609 /nfs/dbraw/zinc/20/16/09/216201609.db2.gz FOKNAYUIKGURQO-GOSISDBHSA-N 2 0 329.488 2.036 50 0 EEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1c(C)noc1C)CC[NH+](C)CC2 ZINC000072427847 216218520 /nfs/dbraw/zinc/21/85/20/216218520.db2.gz CHEIQOAJGIIORA-QGZVFWFLSA-N 2 0 348.491 2.104 50 0 EEAARP C[NH+](C)Cc1csc(CN2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000072434206 216228968 /nfs/dbraw/zinc/22/89/68/216228968.db2.gz IOKVJCRHBFROOZ-KRWDZBQOSA-N 2 0 337.533 2.231 50 0 EEAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CC2CC2)cc1OC ZINC000015072333 211796692 /nfs/dbraw/zinc/79/66/92/211796692.db2.gz SORWFCKTUDRTPK-KRWDZBQOSA-N 2 0 336.476 2.276 50 0 EEAARP COc1ccc(OC[C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000189015 462546569 /nfs/dbraw/zinc/54/65/69/462546569.db2.gz AVAAXFLOBHTCBR-OAHLLOKOSA-N 2 0 336.476 2.334 50 0 EEAARP Cc1ccc(NC(=O)CC[NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)cc1 ZINC000063883328 462680251 /nfs/dbraw/zinc/68/02/51/462680251.db2.gz HUHYBEKRPQOPGM-UYAOXDASSA-N 2 0 345.487 2.293 50 0 EEAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccnc2)C[C@@H]2CCCO2)CC1 ZINC000011821532 211252779 /nfs/dbraw/zinc/25/27/79/211252779.db2.gz OETWLOCQMGSJDK-FQEVSTJZSA-N 2 0 347.503 2.421 50 0 EEAARP CC(C)([NH3+])C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091793808 218067949 /nfs/dbraw/zinc/06/79/49/218067949.db2.gz SIUXFBLTFNDDLP-ZWKOTPCHSA-N 2 0 329.488 2.279 50 0 EEAARP OC[C@@H]1CC[N@H+](CCCN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000670445118 485644392 /nfs/dbraw/zinc/64/43/92/485644392.db2.gz ZFUFFKNYLMOJJB-MRXNPFEDSA-N 2 0 337.895 2.166 50 0 EEAARP C[C@H](CNc1nc(-c2ccccn2)nc2c1CC[NH2+]CC2)n1ccnc1 ZINC000072426314 1253494274 /nfs/dbraw/zinc/49/42/74/1253494274.db2.gz UEHMAGDQOLEMNY-CQSZACIVSA-N 2 0 349.442 2.096 50 0 EEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccncc1C)CC[NH+](C)CC2 ZINC000072412391 216205215 /nfs/dbraw/zinc/20/52/15/216205215.db2.gz XBPDSJGTXAKLTQ-SFHVURJKSA-N 2 0 344.503 2.203 50 0 EEAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CC2CC2)cc1OC ZINC000015072331 211796416 /nfs/dbraw/zinc/79/64/16/211796416.db2.gz SORWFCKTUDRTPK-QGZVFWFLSA-N 2 0 336.476 2.276 50 0 EEAARP CC[NH+]1CCC(C(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)CC1 ZINC000097553381 219035589 /nfs/dbraw/zinc/03/55/89/219035589.db2.gz UPMFPPLSTQEGJR-LJQANCHMSA-N 2 0 344.503 2.457 50 0 EEAARP OC1(C[NH+]2CCCC2)CC[NH+](C[C@]2(c3ccccc3)CCOC2)CC1 ZINC000215768778 285235838 /nfs/dbraw/zinc/23/58/38/285235838.db2.gz ADTCDDVPBYUEGG-HXUWFJFHSA-N 2 0 344.499 2.267 50 0 EEAARP CCN1CC2(CCC1=O)CC[NH+](Cc1cccc(CC[NH3+])c1)CC2 ZINC000091492998 276148496 /nfs/dbraw/zinc/14/84/96/276148496.db2.gz ONPQNBQJFDDNFB-UHFFFAOYSA-N 2 0 329.488 2.412 50 0 EEAARP Cc1ccc2[nH]c(C[N@H+](C)CC3CC[NH+](CCO)CC3)cc(=O)c2c1 ZINC000092028007 462921264 /nfs/dbraw/zinc/92/12/64/462921264.db2.gz JWDOXULRTUHHRF-UHFFFAOYSA-N 2 0 343.471 2.385 50 0 EEAARP COc1ccc2cc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000261767133 463854130 /nfs/dbraw/zinc/85/41/30/463854130.db2.gz WLRRCMWQAYTZEU-IBGZPJMESA-N 2 0 325.456 2.328 50 0 EEAARP C[C@H](CCO)C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000585136971 468987701 /nfs/dbraw/zinc/98/77/01/468987701.db2.gz ARRVWEABLFHYRV-LLVKDONJSA-N 2 0 330.375 2.178 50 0 EEAARP Cc1cc(C)c(C[NH+]2CCC(C)CC2)cc1CN1C[C@@H]([NH3+])[C@H](O)C1 ZINC000426407684 241279739 /nfs/dbraw/zinc/27/97/39/241279739.db2.gz QWZPTSSWEHVORD-WOJBJXKFSA-N 2 0 331.504 2.039 50 0 EEAARP COCCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccco1)C[C@H]2CO ZINC000097307508 219011021 /nfs/dbraw/zinc/01/10/21/219011021.db2.gz MEVQOTIQVXVEMO-KRWDZBQOSA-N 2 0 336.476 2.213 50 0 EEAARP O=C1NCC2(CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)O1 ZINC000299792523 258098005 /nfs/dbraw/zinc/09/80/05/258098005.db2.gz FXMWELCZPHXASH-KRWDZBQOSA-N 2 0 329.444 2.083 50 0 EEAARP O=C(C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1)N1CC[NH2+]CC1 ZINC000643500201 470710140 /nfs/dbraw/zinc/71/01/40/470710140.db2.gz NCRXBUXKUXOTPF-IBGZPJMESA-N 2 0 329.488 2.199 50 0 EEAARP