smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2C(=O)[C@@H](C[NH+]3CCOCC3)SC2=S)c(C)c1 ZINC000020356994 202039250 /nfs/dbraw/zinc/03/92/50/202039250.db2.gz GVSNEVDYHQNVSO-CQSZACIVSA-N 1 2 336.482 2.369 10 10 EECELO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ccc(F)c(F)c2O)CC1 ZINC000895614087 684663579 /nfs/dbraw/zinc/66/35/79/684663579.db2.gz IHVLNHNVSZIWSA-UHFFFAOYSA-N 1 2 348.415 2.011 10 10 EECELO CC[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cccc(Cl)c1O ZINC000866520843 1201539330 /nfs/dbraw/zinc/53/93/30/1201539330.db2.gz IPBTZMXVRZWUJN-CJNGLKHVSA-N 1 2 340.807 2.308 10 10 EECELO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H](F)C3)CC2)cc1 ZINC000778231729 1207924960 /nfs/dbraw/zinc/92/49/60/1207924960.db2.gz CXEJUBHDCNODNQ-MAUKXSAKSA-N 1 2 349.450 2.024 10 10 EECELO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@H](F)C3)CC2)cc1 ZINC000778231729 1207924964 /nfs/dbraw/zinc/92/49/64/1207924964.db2.gz CXEJUBHDCNODNQ-MAUKXSAKSA-N 1 2 349.450 2.024 10 10 EECELO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852636892 1292150092 /nfs/dbraw/zinc/15/00/92/1292150092.db2.gz OUPFHGBCCGAINI-MRXNPFEDSA-N 1 2 345.487 2.402 10 10 EECELO C[C@@H]1COC2(CCCC2)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852636892 1292150096 /nfs/dbraw/zinc/15/00/96/1292150096.db2.gz OUPFHGBCCGAINI-MRXNPFEDSA-N 1 2 345.487 2.402 10 10 EECELO CN(C)c1ccc(C[NH2+]C(c2ccnn2C)c2ccnn2C)cc1F ZINC000858321552 1294082076 /nfs/dbraw/zinc/08/20/76/1294082076.db2.gz IWXCOABAXZWOIB-UHFFFAOYSA-N 1 2 342.422 2.238 10 10 EECELO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)c(F)cc1O ZINC000858523871 1294143138 /nfs/dbraw/zinc/14/31/38/1294143138.db2.gz XPMDXXCUIHFVQV-NXEZZACHSA-N 1 2 347.228 2.275 10 10 EECELO CC1(C)CC(=O)NCC[N@@H+]1Cc1cccc(Br)c1O ZINC001332012383 1335705751 /nfs/dbraw/zinc/70/57/51/1335705751.db2.gz RSUPOIICBLKPPG-UHFFFAOYSA-N 1 2 327.222 2.255 10 10 EECELO CC1(C)CC(=O)NCC[N@H+]1Cc1cccc(Br)c1O ZINC001332012383 1335705753 /nfs/dbraw/zinc/70/57/53/1335705753.db2.gz RSUPOIICBLKPPG-UHFFFAOYSA-N 1 2 327.222 2.255 10 10 EECELO Cc1csc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000184221036 782746994 /nfs/dbraw/zinc/74/69/94/782746994.db2.gz ZIQQKEWXROHPFL-ZDUSSCGKSA-N 1 2 332.473 2.485 10 10 EECELO O=C([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)N1CCOCC1 ZINC000179659923 464168955 /nfs/dbraw/zinc/16/89/55/464168955.db2.gz OTWRNEYRUULOCV-CQSZACIVSA-N 1 2 338.835 2.116 10 10 EECELO O=C([C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)N1CCOCC1 ZINC000179659923 464168962 /nfs/dbraw/zinc/16/89/62/464168962.db2.gz OTWRNEYRUULOCV-CQSZACIVSA-N 1 2 338.835 2.116 10 10 EECELO COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000778914320 1208400079 /nfs/dbraw/zinc/40/00/79/1208400079.db2.gz HUPSZYWXFCTKGA-GFCCVEGCSA-N 1 2 338.367 2.473 10 10 EECELO CN(C)c1ccc(CN(C(=O)NCCc2cn(C)c[nH+]2)C2CC2)cc1 ZINC000838744023 1315186424 /nfs/dbraw/zinc/18/64/24/1315186424.db2.gz ZNYJUQHDDGEHBO-UHFFFAOYSA-N 1 2 341.459 2.403 10 10 EECELO COc1ccc(C(=O)NC(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC001644183672 1352759504 /nfs/dbraw/zinc/75/95/04/1352759504.db2.gz QAOWKFFKUCAKHF-LBPRGKRZSA-N 1 2 328.368 2.008 10 10 EECELO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)c(F)cc1O)CC2 ZINC000816516974 784091660 /nfs/dbraw/zinc/09/16/60/784091660.db2.gz ZAIRHQHBQRNAPT-UHFFFAOYSA-N 1 2 337.782 2.320 10 10 EECELO CCn1nc2c(cc1=O)C[N@H+](Cc1cc(Cl)c(F)cc1O)CC2 ZINC000816516974 784091665 /nfs/dbraw/zinc/09/16/65/784091665.db2.gz ZAIRHQHBQRNAPT-UHFFFAOYSA-N 1 2 337.782 2.320 10 10 EECELO COc1ccc(N2CC[NH+]([C@@H]3CCN(C(C)(C)C)C3=O)CC2)cc1F ZINC000822679906 787336307 /nfs/dbraw/zinc/33/63/07/787336307.db2.gz CILMFZDMEUYLFS-MRXNPFEDSA-N 1 2 349.450 2.356 10 10 EECELO CC/C=C(\F)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001542431824 1124113397 /nfs/dbraw/zinc/11/33/97/1124113397.db2.gz ITSGPEOAZMOCLV-INGKJJEOSA-N 1 2 335.423 2.197 10 10 EECELO Cc1cc(N(C)C)ccc1CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000115521872 237184597 /nfs/dbraw/zinc/18/45/97/237184597.db2.gz HWJWRAFZWGPUJJ-QGZVFWFLSA-N 1 2 341.459 2.424 10 10 EECELO Cc1cc(N(C)C)ccc1CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000115521872 237184601 /nfs/dbraw/zinc/18/46/01/237184601.db2.gz HWJWRAFZWGPUJJ-QGZVFWFLSA-N 1 2 341.459 2.424 10 10 EECELO COCCc1noc(C[N@H+](C)Cc2cc(Cl)c(F)cc2O)n1 ZINC000295497630 464859480 /nfs/dbraw/zinc/85/94/80/464859480.db2.gz YDZQYHQUUXIXIL-UHFFFAOYSA-N 1 2 329.759 2.389 10 10 EECELO COCCc1noc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2O)n1 ZINC000295497630 464859483 /nfs/dbraw/zinc/85/94/83/464859483.db2.gz YDZQYHQUUXIXIL-UHFFFAOYSA-N 1 2 329.759 2.389 10 10 EECELO COc1ccc(N2CC[NH+](Cc3[nH]nc(C)c3C)CC2)c(OC)c1 ZINC000895454363 684609017 /nfs/dbraw/zinc/60/90/17/684609017.db2.gz KQEZFCFQYFGGQD-UHFFFAOYSA-N 1 2 330.432 2.366 10 10 EECELO CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cccc(Cl)c1O ZINC000866572850 1201551077 /nfs/dbraw/zinc/55/10/77/1201551077.db2.gz RHOHHVXRHITIBP-LBPRGKRZSA-N 1 2 334.869 2.401 10 10 EECELO C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(Cl)cc1O ZINC000866629679 1201564424 /nfs/dbraw/zinc/56/44/24/1201564424.db2.gz KGDNAQKZKIGTRY-SECBINFHSA-N 1 2 335.791 2.465 10 10 EECELO COC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000802310787 1237245026 /nfs/dbraw/zinc/24/50/26/1237245026.db2.gz ZRSDSZMGIKIBPU-CBAPKCEASA-N 1 2 338.629 2.466 10 10 EECELO CN(C)c1ccc(C[N@H+]2CCC(=O)N(C)CC2)c(C(F)(F)F)c1 ZINC000827359709 1247949528 /nfs/dbraw/zinc/94/95/28/1247949528.db2.gz ROZILYMPIIPLDK-UHFFFAOYSA-N 1 2 329.366 2.436 10 10 EECELO CN(C)c1ccc(C[N@@H+]2CCC(=O)N(C)CC2)c(C(F)(F)F)c1 ZINC000827359709 1247949536 /nfs/dbraw/zinc/94/95/36/1247949536.db2.gz ROZILYMPIIPLDK-UHFFFAOYSA-N 1 2 329.366 2.436 10 10 EECELO COc1cc(N2CC[NH+](Cc3cnc(C)o3)CC2)cc(OC)c1OC ZINC000862326925 1295791795 /nfs/dbraw/zinc/79/17/95/1295791795.db2.gz VNDJXKYLPFNIFT-UHFFFAOYSA-N 1 2 347.415 2.331 10 10 EECELO O=C(/C=C\c1ccc(O)c(O)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000588403364 759542605 /nfs/dbraw/zinc/54/26/05/759542605.db2.gz GOBYWEBUBQGEEC-ALCCZGGFSA-N 1 2 339.395 2.291 10 10 EECELO COCCOCC[NH+]1CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000846117910 790055776 /nfs/dbraw/zinc/05/57/76/790055776.db2.gz SKNCRWJBDIGNRN-UHFFFAOYSA-N 1 2 342.867 2.135 10 10 EECELO COCCOCCN1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000846117910 790055784 /nfs/dbraw/zinc/05/57/84/790055784.db2.gz SKNCRWJBDIGNRN-UHFFFAOYSA-N 1 2 342.867 2.135 10 10 EECELO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](F)C3)CC2)cc1 ZINC000778231736 1207924737 /nfs/dbraw/zinc/92/47/37/1207924737.db2.gz CXEJUBHDCNODNQ-QAPCUYQASA-N 1 2 349.450 2.024 10 10 EECELO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@@H](F)C3)CC2)cc1 ZINC000778231736 1207924740 /nfs/dbraw/zinc/92/47/40/1207924740.db2.gz CXEJUBHDCNODNQ-QAPCUYQASA-N 1 2 349.450 2.024 10 10 EECELO Oc1c(F)cc(Br)cc1C[NH2+]CC[C@H](O)C(F)F ZINC000715743932 795494418 /nfs/dbraw/zinc/49/44/18/795494418.db2.gz DBAXYJKWUZXVCY-VIFPVBQESA-N 1 2 328.128 2.400 10 10 EECELO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180747561 464384720 /nfs/dbraw/zinc/38/47/20/464384720.db2.gz PJPJMWCFXGUBKM-YOEHRIQHSA-N 1 2 333.384 2.318 10 10 EECELO COc1ccc(O)c(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180747561 464384721 /nfs/dbraw/zinc/38/47/21/464384721.db2.gz PJPJMWCFXGUBKM-YOEHRIQHSA-N 1 2 333.384 2.318 10 10 EECELO C[N@@H+](Cc1cccc(Br)c1O)C[C@H]1CCS(=O)(=O)C1 ZINC000769468111 577578603 /nfs/dbraw/zinc/57/86/03/577578603.db2.gz AGNDCCURBDYFJO-SNVBAGLBSA-N 1 2 348.262 2.021 10 10 EECELO C[N@H+](Cc1cccc(Br)c1O)C[C@H]1CCS(=O)(=O)C1 ZINC000769468111 577578604 /nfs/dbraw/zinc/57/86/04/577578604.db2.gz AGNDCCURBDYFJO-SNVBAGLBSA-N 1 2 348.262 2.021 10 10 EECELO Cn1c[nH+]cc1CCC(=O)NCc1cc(Br)ccc1O ZINC000804738183 675611944 /nfs/dbraw/zinc/61/19/44/675611944.db2.gz GDVRFUJTZWLJBK-UHFFFAOYSA-N 1 2 338.205 2.137 10 10 EECELO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000781903032 679286681 /nfs/dbraw/zinc/28/66/81/679286681.db2.gz WJMILXGWOLQRKW-LBPRGKRZSA-N 1 2 327.222 2.174 10 10 EECELO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000781903032 679286682 /nfs/dbraw/zinc/28/66/82/679286682.db2.gz WJMILXGWOLQRKW-LBPRGKRZSA-N 1 2 327.222 2.174 10 10 EECELO C[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000133337542 1190871550 /nfs/dbraw/zinc/87/15/50/1190871550.db2.gz FJZSOOZCDNVJPA-LURJTMIESA-N 1 2 339.027 2.388 10 10 EECELO CCOc1ccc([N@H+](CC)C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000801521282 1235770609 /nfs/dbraw/zinc/77/06/09/1235770609.db2.gz FGCNCERODCMVFL-CQSZACIVSA-N 1 2 326.462 2.193 10 10 EECELO CCOc1ccc([N@@H+](CC)C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000801521282 1235770615 /nfs/dbraw/zinc/77/06/15/1235770615.db2.gz FGCNCERODCMVFL-CQSZACIVSA-N 1 2 326.462 2.193 10 10 EECELO COCCOCCN1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000846116492 790055073 /nfs/dbraw/zinc/05/50/73/790055073.db2.gz IHAQYGOOQGYHRG-UHFFFAOYSA-N 1 2 342.867 2.135 10 10 EECELO C[NH+]1CCN(Cc2cc(Br)c3cccnc3c2O)CC1 ZINC000022459107 202085636 /nfs/dbraw/zinc/08/56/36/202085636.db2.gz AAHVIUIFESQSED-UHFFFAOYSA-N 1 2 336.233 2.450 10 10 EECELO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3nnc(CC)[nH]3)C2)c1 ZINC000129196830 462693496 /nfs/dbraw/zinc/69/34/96/462693496.db2.gz SPLBBQFVEYBWNE-OAHLLOKOSA-N 1 2 332.404 2.045 10 10 EECELO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](c3nnc(CC)[nH]3)C2)c1 ZINC000129196830 462693502 /nfs/dbraw/zinc/69/35/02/462693502.db2.gz SPLBBQFVEYBWNE-OAHLLOKOSA-N 1 2 332.404 2.045 10 10 EECELO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3n[nH]c(CC)n3)C2)c1 ZINC000129196830 462693506 /nfs/dbraw/zinc/69/35/06/462693506.db2.gz SPLBBQFVEYBWNE-OAHLLOKOSA-N 1 2 332.404 2.045 10 10 EECELO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](c3n[nH]c(CC)n3)C2)c1 ZINC000129196830 462693508 /nfs/dbraw/zinc/69/35/08/462693508.db2.gz SPLBBQFVEYBWNE-OAHLLOKOSA-N 1 2 332.404 2.045 10 10 EECELO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Br)cc(F)c1O ZINC000185973993 463915111 /nfs/dbraw/zinc/91/51/11/463915111.db2.gz GZQCSIRMGMRWJK-GXSJLCMTSA-N 1 2 347.228 2.275 10 10 EECELO COc1cc(Cl)cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c1O ZINC000184675143 465017030 /nfs/dbraw/zinc/01/70/30/465017030.db2.gz QDOJIJBMBWCDOL-OAHLLOKOSA-N 1 2 346.814 2.466 10 10 EECELO COc1cc(Cl)cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c1O ZINC000184675143 465017035 /nfs/dbraw/zinc/01/70/35/465017035.db2.gz QDOJIJBMBWCDOL-OAHLLOKOSA-N 1 2 346.814 2.466 10 10 EECELO CC(C)(C)n1nnnc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000766815773 577525228 /nfs/dbraw/zinc/52/52/28/577525228.db2.gz YGYJHMWJVQHYAQ-OAHLLOKOSA-N 1 2 345.447 2.315 10 10 EECELO CC(C)(C)n1nnnc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000766815773 577525229 /nfs/dbraw/zinc/52/52/29/577525229.db2.gz YGYJHMWJVQHYAQ-OAHLLOKOSA-N 1 2 345.447 2.315 10 10 EECELO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]Cc1cccc(OC)c1O ZINC000763480503 577721691 /nfs/dbraw/zinc/72/16/91/577721691.db2.gz NKBYCWHTJIOSLX-OAHLLOKOSA-N 1 2 330.384 2.060 10 10 EECELO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc2cc(O)c(O)cc2s1 ZINC000897448329 690558564 /nfs/dbraw/zinc/55/85/64/690558564.db2.gz IXLLVBLBOHDRTR-JTQLQIEISA-N 1 2 329.381 2.254 10 10 EECELO CN(C)c1ccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)cc1F ZINC000845336845 789737280 /nfs/dbraw/zinc/73/72/80/789737280.db2.gz VXWFZYDNPQDTQJ-UHFFFAOYSA-N 1 2 330.407 2.283 10 10 EECELO COC(=O)N(C)CC[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715805073 795536946 /nfs/dbraw/zinc/53/69/46/795536946.db2.gz UPWLWGVGANHQGR-UHFFFAOYSA-N 1 2 349.200 2.424 10 10 EECELO COC(=O)N(C)CC[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715805073 795536950 /nfs/dbraw/zinc/53/69/50/795536950.db2.gz UPWLWGVGANHQGR-UHFFFAOYSA-N 1 2 349.200 2.424 10 10 EECELO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000125736385 463573485 /nfs/dbraw/zinc/57/34/85/463573485.db2.gz AITJNZOHOINEMJ-MSOLQXFVSA-N 1 2 332.444 2.439 10 10 EECELO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000125736385 463573490 /nfs/dbraw/zinc/57/34/90/463573490.db2.gz AITJNZOHOINEMJ-MSOLQXFVSA-N 1 2 332.444 2.439 10 10 EECELO Oc1ccc(F)cc1C[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000180098957 464241475 /nfs/dbraw/zinc/24/14/75/464241475.db2.gz OJCACXUUCJVJKA-IBGZPJMESA-N 1 2 330.403 2.383 10 10 EECELO COc1ccc2c(c1)CCCC[N@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000374916657 466760207 /nfs/dbraw/zinc/76/02/07/466760207.db2.gz QHXVRSFARCUBHT-AWEZNQCLSA-N 1 2 338.473 2.119 10 10 EECELO COc1ccc2c(c1)CCCC[N@@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000374916657 466760211 /nfs/dbraw/zinc/76/02/11/466760211.db2.gz QHXVRSFARCUBHT-AWEZNQCLSA-N 1 2 338.473 2.119 10 10 EECELO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1nc(CO)n(C)c1=S ZINC000769833539 577585571 /nfs/dbraw/zinc/58/55/71/577585571.db2.gz DLEYWWFXKZALLW-UHFFFAOYSA-N 1 2 349.504 2.377 10 10 EECELO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1nc(CO)n(C)c1=S ZINC000769833539 577585572 /nfs/dbraw/zinc/58/55/72/577585572.db2.gz DLEYWWFXKZALLW-UHFFFAOYSA-N 1 2 349.504 2.377 10 10 EECELO C[C@@H]([NH2+]Cc1cnn(C)n1)c1cc(Br)c(F)cc1O ZINC000806168196 675511192 /nfs/dbraw/zinc/51/11/92/675511192.db2.gz GVWLXPRREZKLJD-SSDOTTSWSA-N 1 2 329.173 2.273 10 10 EECELO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000194748799 684964392 /nfs/dbraw/zinc/96/43/92/684964392.db2.gz DMCVMZHTGIQHAF-SFHVURJKSA-N 1 2 327.428 2.155 10 10 EECELO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000194748799 684964394 /nfs/dbraw/zinc/96/43/94/684964394.db2.gz DMCVMZHTGIQHAF-SFHVURJKSA-N 1 2 327.428 2.155 10 10 EECELO CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cccc(Cl)c1O ZINC000866572848 1201551136 /nfs/dbraw/zinc/55/11/36/1201551136.db2.gz RHOHHVXRHITIBP-GFCCVEGCSA-N 1 2 334.869 2.401 10 10 EECELO CCC1(CC)C[N@H+](Cc2cc3c(cc2O)OCO3)CC[S@@]1=O ZINC000187554436 1208443114 /nfs/dbraw/zinc/44/31/14/1208443114.db2.gz TWQYODOBFGKBJU-QFIPXVFZSA-N 1 2 325.430 2.244 10 10 EECELO CCC1(CC)C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[S@@]1=O ZINC000187554436 1208443118 /nfs/dbraw/zinc/44/31/18/1208443118.db2.gz TWQYODOBFGKBJU-QFIPXVFZSA-N 1 2 325.430 2.244 10 10 EECELO C[C@@H]([NH2+]CCOCCCO)c1cc(Br)cc(F)c1O ZINC001325887941 1333986136 /nfs/dbraw/zinc/98/61/36/1333986136.db2.gz OROHDIUFEWXIQC-SECBINFHSA-N 1 2 336.201 2.343 10 10 EECELO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(F)C(F)(F)F)cc1C ZINC001669564000 1356175982 /nfs/dbraw/zinc/17/59/82/1356175982.db2.gz FUYJBXGYEHJRET-GWCFXTLKSA-N 1 2 336.329 2.498 10 10 EECELO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](F)C(F)(F)F)cc1C ZINC001669564000 1356175986 /nfs/dbraw/zinc/17/59/86/1356175986.db2.gz FUYJBXGYEHJRET-GWCFXTLKSA-N 1 2 336.329 2.498 10 10 EECELO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000846103043 790063066 /nfs/dbraw/zinc/06/30/66/790063066.db2.gz KTMRAFVLKHXNGE-LDLUMPKVSA-N 1 2 330.247 2.168 10 10 EECELO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000846103043 790063068 /nfs/dbraw/zinc/06/30/68/790063068.db2.gz KTMRAFVLKHXNGE-LDLUMPKVSA-N 1 2 330.247 2.168 10 10 EECELO CCn1cc[nH+]c1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000298537684 465424830 /nfs/dbraw/zinc/42/48/30/465424830.db2.gz VXFUAFQRZSIFCN-UHFFFAOYSA-N 1 2 327.432 2.285 10 10 EECELO Oc1ccc(F)cc1C[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000180098943 464241238 /nfs/dbraw/zinc/24/12/38/464241238.db2.gz OJCACXUUCJVJKA-LJQANCHMSA-N 1 2 330.403 2.383 10 10 EECELO COC(=O)C[N@H+](CCn1cc(C)cn1)Cc1cc(Cl)ccc1O ZINC000732202833 577156195 /nfs/dbraw/zinc/15/61/95/577156195.db2.gz GIISYJOSTZOEIS-UHFFFAOYSA-N 1 2 337.807 2.226 10 10 EECELO Cc1nc(N(Cc2ccccc2O)C[C@H]2CCCO2)nc(N(C)C)[nH+]1 ZINC000762180328 577696661 /nfs/dbraw/zinc/69/66/61/577696661.db2.gz URYRKSVFFFTPGC-OAHLLOKOSA-N 1 2 343.431 2.137 10 10 EECELO Cc1nc(N(C)C)nc(N(Cc2ccccc2O)C[C@H]2CCCO2)[nH+]1 ZINC000762180328 577696662 /nfs/dbraw/zinc/69/66/62/577696662.db2.gz URYRKSVFFFTPGC-OAHLLOKOSA-N 1 2 343.431 2.137 10 10 EECELO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000894889637 683332652 /nfs/dbraw/zinc/33/26/52/683332652.db2.gz TXAXZKGWWXFTLM-LBPRGKRZSA-N 1 2 340.139 2.496 10 10 EECELO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000894889637 683332660 /nfs/dbraw/zinc/33/26/60/683332660.db2.gz TXAXZKGWWXFTLM-LBPRGKRZSA-N 1 2 340.139 2.496 10 10 EECELO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cccc(Br)c1O ZINC000841891609 684650923 /nfs/dbraw/zinc/65/09/23/684650923.db2.gz MOQPFNVILMTNQE-VXGBXAGGSA-N 1 2 343.265 2.042 10 10 EECELO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cccc(Br)c1O ZINC000841891609 684650925 /nfs/dbraw/zinc/65/09/25/684650925.db2.gz MOQPFNVILMTNQE-VXGBXAGGSA-N 1 2 343.265 2.042 10 10 EECELO C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925791615 1206154346 /nfs/dbraw/zinc/15/43/46/1206154346.db2.gz MCWUROMFIKRGJO-QWHCGFSZSA-N 1 2 335.404 2.110 10 10 EECELO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000802656426 1237932664 /nfs/dbraw/zinc/93/26/64/1237932664.db2.gz LJHVDMSUYJVDPL-TXEJJXNPSA-N 1 2 328.206 2.063 10 10 EECELO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000802656426 1237932677 /nfs/dbraw/zinc/93/26/77/1237932677.db2.gz LJHVDMSUYJVDPL-TXEJJXNPSA-N 1 2 328.206 2.063 10 10 EECELO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Br)c(F)cc1O ZINC000846193513 790086273 /nfs/dbraw/zinc/08/62/73/790086273.db2.gz MSFKFZAAJXNGCK-OTYXRUKQSA-N 1 2 348.212 2.486 10 10 EECELO O=C(NCC[NH+]1Cc2ccccc2C1)NCc1c(O)cccc1F ZINC000915177755 795696373 /nfs/dbraw/zinc/69/63/73/795696373.db2.gz SKAFNBSBSGZJBR-UHFFFAOYSA-N 1 2 329.375 2.346 10 10 EECELO COC(=O)[C@]12C[N@H+](Cc3cccc(Cl)c3O)C[C@H]1COCC2 ZINC000366282487 465631206 /nfs/dbraw/zinc/63/12/06/465631206.db2.gz LLWNMTJJIAHVPR-BLLLJJGKSA-N 1 2 325.792 2.057 10 10 EECELO COC(=O)[C@]12C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]1COCC2 ZINC000366282487 465631214 /nfs/dbraw/zinc/63/12/14/465631214.db2.gz LLWNMTJJIAHVPR-BLLLJJGKSA-N 1 2 325.792 2.057 10 10 EECELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000361997597 466471535 /nfs/dbraw/zinc/47/15/35/466471535.db2.gz ORBCOEGHKBRUHH-CQSZACIVSA-N 1 2 345.399 2.045 10 10 EECELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000361997597 466471540 /nfs/dbraw/zinc/47/15/40/466471540.db2.gz ORBCOEGHKBRUHH-CQSZACIVSA-N 1 2 345.399 2.045 10 10 EECELO C[C@H]1CN(c2ccc(CNC(=O)C3=CC(=O)CS3)c[nH+]2)C[C@H](C)O1 ZINC000731869449 577131354 /nfs/dbraw/zinc/13/13/54/577131354.db2.gz IBXHCMWXORFQCF-RYUDHWBXSA-N 1 2 347.440 2.392 10 10 EECELO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864636993 1197857318 /nfs/dbraw/zinc/85/73/18/1197857318.db2.gz DRFHCYDTWTUPGK-KRWDZBQOSA-N 1 2 328.416 2.092 10 10 EECELO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Br)cc(F)c1O ZINC000858494727 1294133372 /nfs/dbraw/zinc/13/33/72/1294133372.db2.gz MXFDZSYMKPRMDP-ZXFLCMHBSA-N 1 2 331.185 2.208 10 10 EECELO C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)c(F)cc1O ZINC000846189554 790084669 /nfs/dbraw/zinc/08/46/69/790084669.db2.gz MOZNCQZFCVORMX-BIIVOSGPSA-N 1 2 331.185 2.208 10 10 EECELO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293516280 464409557 /nfs/dbraw/zinc/40/95/57/464409557.db2.gz COAOGHRABAXASN-NSHDSACASA-N 1 2 327.787 2.221 10 10 EECELO COC(=O)[C@H](C[C@@H]1CCCOC1)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895403319 684593986 /nfs/dbraw/zinc/59/39/86/684593986.db2.gz SMSHIDIZQPKZSX-ZFWWWQNUSA-N 1 2 337.416 2.157 10 10 EECELO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000839612945 1315220455 /nfs/dbraw/zinc/22/04/55/1315220455.db2.gz INOAGVCNFROHNI-IBGZPJMESA-N 1 2 345.487 2.260 10 10 EECELO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000839612945 1315220460 /nfs/dbraw/zinc/22/04/60/1315220460.db2.gz INOAGVCNFROHNI-IBGZPJMESA-N 1 2 345.487 2.260 10 10 EECELO COc1ccc(N2CC[C@H](CNc3nc(N(C)C)nc(C)[nH+]3)C2)cc1 ZINC000819936331 785731803 /nfs/dbraw/zinc/73/18/03/785731803.db2.gz RRODFIJOVDCQPM-CQSZACIVSA-N 1 2 342.447 2.193 10 10 EECELO COC(=O)C=Cc1ccc(N2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000820580883 785984176 /nfs/dbraw/zinc/98/41/76/785984176.db2.gz GBRFHNAMLQFXOF-HYXAFXHYSA-N 1 2 328.328 2.067 10 10 EECELO C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)cc(F)c1O ZINC000846189898 790083659 /nfs/dbraw/zinc/08/36/59/790083659.db2.gz MXFDZSYMKPRMDP-ACLDMZEESA-N 1 2 331.185 2.208 10 10 EECELO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Br)c(F)cc1O ZINC000846193514 790086038 /nfs/dbraw/zinc/08/60/38/790086038.db2.gz MSFKFZAAJXNGCK-XPTSAGLGSA-N 1 2 348.212 2.486 10 10 EECELO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000278688266 463975736 /nfs/dbraw/zinc/97/57/36/463975736.db2.gz SAVIDEBFLWUGSB-GOSISDBHSA-N 1 2 341.459 2.271 10 10 EECELO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000278688266 463975743 /nfs/dbraw/zinc/97/57/43/463975743.db2.gz SAVIDEBFLWUGSB-GOSISDBHSA-N 1 2 341.459 2.271 10 10 EECELO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cc([N+](=O)[O-])ccc1O ZINC000284310316 464145463 /nfs/dbraw/zinc/14/54/63/464145463.db2.gz LGWGUJGQUVDRQW-FIXISWKDSA-N 1 2 326.393 2.109 10 10 EECELO O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccnc1-n1cc[nH+]c1 ZINC000180908717 464418791 /nfs/dbraw/zinc/41/87/91/464418791.db2.gz KVPKFAOGJBPJGC-GQCTYLIASA-N 1 2 336.351 2.008 10 10 EECELO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1nnc2n1CCCCC2 ZINC000360203857 533911196 /nfs/dbraw/zinc/91/11/96/533911196.db2.gz VSKWOHKYDIVLNX-NSHDSACASA-N 1 2 331.376 2.469 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)Nc3nncs3)CC2)cc1 ZINC000726609108 576279944 /nfs/dbraw/zinc/27/99/44/576279944.db2.gz KTKIBWVPSKGEKZ-UHFFFAOYSA-N 1 2 333.417 2.337 10 10 EECELO COc1ccc(N2CCC[N@H+](Cc3nnnn3C(C)(C)C)CC2)cc1 ZINC000766109353 577513143 /nfs/dbraw/zinc/51/31/43/577513143.db2.gz NCMFFTQVUSMRLQ-UHFFFAOYSA-N 1 2 344.463 2.149 10 10 EECELO COc1ccc(N2CCC[N@@H+](Cc3nnnn3C(C)(C)C)CC2)cc1 ZINC000766109353 577513144 /nfs/dbraw/zinc/51/31/44/577513144.db2.gz NCMFFTQVUSMRLQ-UHFFFAOYSA-N 1 2 344.463 2.149 10 10 EECELO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]Cc1cccc(OC)c1O ZINC000763480500 577721746 /nfs/dbraw/zinc/72/17/46/577721746.db2.gz NKBYCWHTJIOSLX-HNNXBMFYSA-N 1 2 330.384 2.060 10 10 EECELO COC(=O)CC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C)cc1O ZINC000895711436 684693765 /nfs/dbraw/zinc/69/37/65/684693765.db2.gz QRAIQLRJPXMBBR-UHFFFAOYSA-N 1 2 337.416 2.407 10 10 EECELO COC(=O)CC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C)cc1O ZINC000895711436 684693767 /nfs/dbraw/zinc/69/37/67/684693767.db2.gz QRAIQLRJPXMBBR-UHFFFAOYSA-N 1 2 337.416 2.407 10 10 EECELO COc1ccnc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1F ZINC000827261117 1238756610 /nfs/dbraw/zinc/75/66/10/1238756610.db2.gz VJZYPTSVDZVVDW-UHFFFAOYSA-N 1 2 337.307 2.142 10 10 EECELO Cc1nc(N(C)C)nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000768522350 577557638 /nfs/dbraw/zinc/55/76/38/577557638.db2.gz LYEZJPPUEGGYNW-ZDUSSCGKSA-N 1 2 342.447 2.256 10 10 EECELO Cc1nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc(N(C)C)[nH+]1 ZINC000768522350 577557639 /nfs/dbraw/zinc/55/76/39/577557639.db2.gz LYEZJPPUEGGYNW-ZDUSSCGKSA-N 1 2 342.447 2.256 10 10 EECELO C[C@H]([NH2+]Cc1cnn(C)n1)c1cc(Br)cc(F)c1O ZINC000806168756 675522189 /nfs/dbraw/zinc/52/21/89/675522189.db2.gz ZKLOAPJRKLSEIA-ZETCQYMHSA-N 1 2 329.173 2.273 10 10 EECELO Cc1nc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nc(N)[nH+]1 ZINC000865452246 1198226081 /nfs/dbraw/zinc/22/60/81/1198226081.db2.gz FRLTYOALKDUVPD-QWRGUYRKSA-N 1 2 346.410 2.127 10 10 EECELO Cc1nc(N)nc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[nH+]1 ZINC000865452246 1198226084 /nfs/dbraw/zinc/22/60/84/1198226084.db2.gz FRLTYOALKDUVPD-QWRGUYRKSA-N 1 2 346.410 2.127 10 10 EECELO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874081626 1198785406 /nfs/dbraw/zinc/78/54/06/1198785406.db2.gz KCJZFVSPYHNBLY-HZPDHXFCSA-N 1 2 342.468 2.383 10 10 EECELO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874081626 1198785409 /nfs/dbraw/zinc/78/54/09/1198785409.db2.gz KCJZFVSPYHNBLY-HZPDHXFCSA-N 1 2 342.468 2.383 10 10 EECELO OCCNc1nc(NCCc2ccc(O)c(O)c2)[nH+]c2ccccc21 ZINC000811811057 1200327753 /nfs/dbraw/zinc/32/77/53/1200327753.db2.gz KVKORGARUOGYHC-UHFFFAOYSA-N 1 2 340.383 2.100 10 10 EECELO C[NH+](C)Cc1csc(CNC(=O)NCc2c(O)cccc2F)n1 ZINC000924791798 1206032587 /nfs/dbraw/zinc/03/25/87/1206032587.db2.gz QWLHWEIOEQMIFP-UHFFFAOYSA-N 1 2 338.408 2.049 10 10 EECELO C[NH+](C)Cc1nc(CNC(=O)c2cc3cc(O)c(O)cc3s2)co1 ZINC001520768727 1119193260 /nfs/dbraw/zinc/19/32/60/1119193260.db2.gz COWCFXIKCZENDG-UHFFFAOYSA-N 1 2 347.396 2.292 10 10 EECELO CCn1c(C)nnc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111232997 463672571 /nfs/dbraw/zinc/67/25/71/463672571.db2.gz BYCLTQKFZDITIQ-MRXNPFEDSA-N 1 2 330.432 2.493 10 10 EECELO CCn1c(C)nnc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111232997 463672574 /nfs/dbraw/zinc/67/25/74/463672574.db2.gz BYCLTQKFZDITIQ-MRXNPFEDSA-N 1 2 330.432 2.493 10 10 EECELO CC[C@]1(C2CC2)NC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000758179284 577617640 /nfs/dbraw/zinc/61/76/40/577617640.db2.gz TZSNGJSRNIESFV-LJQANCHMSA-N 1 2 344.459 2.253 10 10 EECELO CC[C@]1(C2CC2)NC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000758179284 577617641 /nfs/dbraw/zinc/61/76/41/577617641.db2.gz TZSNGJSRNIESFV-LJQANCHMSA-N 1 2 344.459 2.253 10 10 EECELO C[C@@H]([NH2+]Cc1cnn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000806167261 675455977 /nfs/dbraw/zinc/45/59/77/675455977.db2.gz PFGSGMMSZGRMQN-GFCCVEGCSA-N 1 2 335.839 2.156 10 10 EECELO C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852441106 1292113977 /nfs/dbraw/zinc/11/39/77/1292113977.db2.gz KDUUIHWOGQAQFF-INIZCTEOSA-N 1 2 345.487 2.354 10 10 EECELO C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852441106 1292113979 /nfs/dbraw/zinc/11/39/79/1292113979.db2.gz KDUUIHWOGQAQFF-INIZCTEOSA-N 1 2 345.487 2.354 10 10 EECELO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000861891544 1295581352 /nfs/dbraw/zinc/58/13/52/1295581352.db2.gz CDUJHAWRCCZDLY-QGZVFWFLSA-N 1 2 348.406 2.458 10 10 EECELO CCOc1ccc(C[NH2+][C@@H](C[C@@H]2CCCOC2)C(=O)OC)c(O)c1 ZINC000862516133 1295865296 /nfs/dbraw/zinc/86/52/96/1295865296.db2.gz LJFSGLRNCUZZQV-BBRMVZONSA-N 1 2 337.416 2.239 10 10 EECELO Oc1c(CN2CCC([NH2+]C3CCOCC3)CC2)ccc(F)c1F ZINC001332024476 1335708053 /nfs/dbraw/zinc/70/80/53/1335708053.db2.gz HXKLUWLYSJORQB-UHFFFAOYSA-N 1 2 326.387 2.403 10 10 EECELO Cc1c[nH+]c2cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)ccn12 ZINC001638348063 1352687675 /nfs/dbraw/zinc/68/76/75/1352687675.db2.gz OMPZXGQRSNJYAA-LLVKDONJSA-N 1 2 325.368 2.415 10 10 EECELO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715716227 795484303 /nfs/dbraw/zinc/48/43/03/795484303.db2.gz DJUYZBKODMHJSV-RDDDGLTNSA-N 1 2 331.185 2.051 10 10 EECELO OCc1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)nn1 ZINC000293590693 464413545 /nfs/dbraw/zinc/41/35/45/464413545.db2.gz IKORWGBDLQZUQM-GFCCVEGCSA-N 1 2 340.786 2.106 10 10 EECELO COc1ccc2c(c1)CCC[N@H+]2C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000754642927 577809952 /nfs/dbraw/zinc/80/99/52/577809952.db2.gz NCFIMJARVXIXRU-AWEZNQCLSA-N 1 2 338.473 2.119 10 10 EECELO COc1ccc2c(c1)CCC[N@@H+]2C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000754642927 577809953 /nfs/dbraw/zinc/80/99/53/577809953.db2.gz NCFIMJARVXIXRU-AWEZNQCLSA-N 1 2 338.473 2.119 10 10 EECELO CCCN(Cc1ccccc1O)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000901051238 1235163210 /nfs/dbraw/zinc/16/32/10/1235163210.db2.gz AVSGGOBCYFHRFD-SSZFMOIBSA-N 1 2 332.444 2.409 10 10 EECELO CO[C@](C)(CO)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000848557512 1338721039 /nfs/dbraw/zinc/72/10/39/1338721039.db2.gz FJVZTTOOPCHYGL-SDBXPKJASA-N 1 2 336.201 2.342 10 10 EECELO FC(F)C[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809712475 783328654 /nfs/dbraw/zinc/32/86/54/783328654.db2.gz OHACLGAVGIRVCE-MRXNPFEDSA-N 1 2 326.387 2.379 10 10 EECELO FC(F)C[C@@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809712475 783328664 /nfs/dbraw/zinc/32/86/64/783328664.db2.gz OHACLGAVGIRVCE-MRXNPFEDSA-N 1 2 326.387 2.379 10 10 EECELO CN1CCO[C@@H](C[NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708110733 786739900 /nfs/dbraw/zinc/73/99/00/786739900.db2.gz FYJMMWBUTMVSRA-NSHDSACASA-N 1 2 349.656 2.228 10 10 EECELO COC[C@@H](CC[NH2+]Cc1cc(Br)cc(F)c1O)OC ZINC000715827332 795537566 /nfs/dbraw/zinc/53/75/66/795537566.db2.gz KXMDSTWOVLCTIU-LLVKDONJSA-N 1 2 336.201 2.435 10 10 EECELO Oc1cc(F)c(Cl)cc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000293484589 464406112 /nfs/dbraw/zinc/40/61/12/464406112.db2.gz ADGOSJGIPNPVDD-UHFFFAOYSA-N 1 2 340.761 2.436 10 10 EECELO COc1c(O)c(C[NH2+]Cc2nccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000775048722 577427885 /nfs/dbraw/zinc/42/78/85/577427885.db2.gz PYPHPQRCHJSONQ-UHFFFAOYSA-N 1 2 334.376 2.451 10 10 EECELO C/C(=C\C(=O)NCc1c(O)ccc2c1CCCC2)C[NH+]1CCOCC1 ZINC000901133834 1235264250 /nfs/dbraw/zinc/26/42/50/1235264250.db2.gz YQDNCAWCEYLMTL-NTCAYCPXSA-N 1 2 344.455 2.166 10 10 EECELO Cc1ccc(O)c(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1 ZINC000826894421 1248113004 /nfs/dbraw/zinc/11/30/04/1248113004.db2.gz PDEUYYPGAZUXKL-AAEUAGOBSA-N 1 2 337.363 2.108 10 10 EECELO Cc1ccc(O)c(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1 ZINC000826894421 1248113007 /nfs/dbraw/zinc/11/30/07/1248113007.db2.gz PDEUYYPGAZUXKL-AAEUAGOBSA-N 1 2 337.363 2.108 10 10 EECELO COc1ccc(N2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)cc1 ZINC000855234083 1293123338 /nfs/dbraw/zinc/12/33/38/1293123338.db2.gz RYJQTOQGVTXHPG-CQSZACIVSA-N 1 2 336.395 2.352 10 10 EECELO COCCN1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)CC1=O ZINC000840942044 1315442317 /nfs/dbraw/zinc/44/23/17/1315442317.db2.gz QJPRVWZNPLFZRY-UHFFFAOYSA-N 1 2 326.824 2.035 10 10 EECELO COCCN1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)CC1=O ZINC000840942044 1315442320 /nfs/dbraw/zinc/44/23/20/1315442320.db2.gz QJPRVWZNPLFZRY-UHFFFAOYSA-N 1 2 326.824 2.035 10 10 EECELO C[C@@H]1CN(Cc2cccc(Br)c2O)[C@@H](C)C[N@@H+]1CCO ZINC000841891606 1315631233 /nfs/dbraw/zinc/63/12/33/1315631233.db2.gz MOQPFNVILMTNQE-NEPJUHHUSA-N 1 2 343.265 2.042 10 10 EECELO COC(=O)c1c(CN2CCn3c[nH+]cc3C2)c2cc(F)ccc2n1C ZINC001333720565 1336114623 /nfs/dbraw/zinc/11/46/23/1336114623.db2.gz ZNQGTHKOMOVXCS-UHFFFAOYSA-N 1 2 342.374 2.316 10 10 EECELO Cn1ncc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000808417348 812632383 /nfs/dbraw/zinc/63/23/83/812632383.db2.gz JHYFICRIIHBPAZ-UHFFFAOYSA-N 1 2 330.392 2.003 10 10 EECELO O=C1NN(c2ccccc2)C(=O)/C1=C\c1[nH+]ccn1Cc1ccccc1 ZINC000734095092 577277274 /nfs/dbraw/zinc/27/72/74/577277274.db2.gz JUIVFNZCNGSDSI-LGMDPLHJSA-N 1 2 344.374 2.393 10 10 EECELO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]Cc1cc(OCC)ccc1O ZINC000763482212 577721797 /nfs/dbraw/zinc/72/17/97/577721797.db2.gz XDNSAOKDLFPQHB-KRWDZBQOSA-N 1 2 344.411 2.450 10 10 EECELO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000177465248 675914322 /nfs/dbraw/zinc/91/43/22/675914322.db2.gz QVKPDNYWLPCCPL-OAHLLOKOSA-N 1 2 345.422 2.462 10 10 EECELO CC[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cccc(Cl)c1O ZINC000866520841 1201539176 /nfs/dbraw/zinc/53/91/76/1201539176.db2.gz IPBTZMXVRZWUJN-BBRMVZONSA-N 1 2 340.807 2.308 10 10 EECELO COc1ccc(N(CCC(C)C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000796506281 1220136227 /nfs/dbraw/zinc/13/62/27/1220136227.db2.gz YDUGBQFUCCTZCK-GOSISDBHSA-N 1 2 336.476 2.241 10 10 EECELO COC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000802310786 1237245764 /nfs/dbraw/zinc/24/57/64/1237245764.db2.gz ZRSDSZMGIKIBPU-APPZFPTMSA-N 1 2 338.629 2.466 10 10 EECELO C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Br)c(F)cc1O ZINC000858494709 1294133876 /nfs/dbraw/zinc/13/38/76/1294133876.db2.gz MOZNCQZFCVORMX-FXQIFTODSA-N 1 2 331.185 2.208 10 10 EECELO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3nnnn3C)CC2)c1O ZINC001119266171 1309035643 /nfs/dbraw/zinc/03/56/43/1309035643.db2.gz ZCNZAHNPMQFWCI-UHFFFAOYSA-N 1 2 349.822 2.151 10 10 EECELO Cn1c[nH+]cc1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001625657704 1352454718 /nfs/dbraw/zinc/45/47/18/1352454718.db2.gz VFBBDHHGBJNMEH-UHFFFAOYSA-N 1 2 332.367 2.311 10 10 EECELO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001660142860 1354403146 /nfs/dbraw/zinc/40/31/46/1354403146.db2.gz UDPBICQEXDIFDP-ZDUSSCGKSA-N 1 2 339.823 2.142 10 10 EECELO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001660142860 1354403148 /nfs/dbraw/zinc/40/31/48/1354403148.db2.gz UDPBICQEXDIFDP-ZDUSSCGKSA-N 1 2 339.823 2.142 10 10 EECELO C/C(=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCOCC1 ZINC000907493338 784674583 /nfs/dbraw/zinc/67/45/83/784674583.db2.gz QTSJVPRLFMQYHH-KGAUPUERSA-N 1 2 331.460 2.208 10 10 EECELO COc1c(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)c(C)nn1C ZINC000091923376 533416325 /nfs/dbraw/zinc/41/63/25/533416325.db2.gz OHWNZWKXFAHMKZ-UHFFFAOYSA-N 1 2 348.422 2.207 10 10 EECELO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1)OCO2 ZINC000271238383 464289343 /nfs/dbraw/zinc/28/93/43/464289343.db2.gz BNHNOPGFADJSFK-HIFRSBDPSA-N 1 2 347.367 2.038 10 10 EECELO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1)OCO2 ZINC000271238383 464289347 /nfs/dbraw/zinc/28/93/47/464289347.db2.gz BNHNOPGFADJSFK-HIFRSBDPSA-N 1 2 347.367 2.038 10 10 EECELO CS(=O)(=O)CC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294067192 464432709 /nfs/dbraw/zinc/43/27/09/464432709.db2.gz YEUFSGGHBQIDAA-UHFFFAOYSA-N 1 2 335.828 2.441 10 10 EECELO COc1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)nc1 ZINC000894951220 683430602 /nfs/dbraw/zinc/43/06/02/683430602.db2.gz ZTNMRSIKOVGRHG-UHFFFAOYSA-N 1 2 335.354 2.396 10 10 EECELO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000874197294 1198820049 /nfs/dbraw/zinc/82/00/49/1198820049.db2.gz PMBQQBORAHLCIR-IAOVAPTHSA-N 1 2 340.427 2.227 10 10 EECELO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000874197294 1198820052 /nfs/dbraw/zinc/82/00/52/1198820052.db2.gz PMBQQBORAHLCIR-IAOVAPTHSA-N 1 2 340.427 2.227 10 10 EECELO COC(=O)/C=C/c1ccc(N(C)Cc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000135985959 1202428052 /nfs/dbraw/zinc/42/80/52/1202428052.db2.gz ZLRRACUPWDPWFM-VMPITWQZSA-N 1 2 342.355 2.395 10 10 EECELO Cn1c[nH+]c(CCNC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000838744584 1315186554 /nfs/dbraw/zinc/18/65/54/1315186554.db2.gz NDZUCVGAVLQXQZ-UHFFFAOYSA-N 1 2 328.416 2.046 10 10 EECELO CN1CCO[C@H](C[NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708110732 786739881 /nfs/dbraw/zinc/73/98/81/786739881.db2.gz FYJMMWBUTMVSRA-LLVKDONJSA-N 1 2 349.656 2.228 10 10 EECELO CN(C)c1noc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000192994887 529817733 /nfs/dbraw/zinc/81/77/33/529817733.db2.gz QPVHJAZGRDPLDL-CQSZACIVSA-N 1 2 332.404 2.022 10 10 EECELO CN(C)c1noc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000192994887 529817734 /nfs/dbraw/zinc/81/77/34/529817734.db2.gz QPVHJAZGRDPLDL-CQSZACIVSA-N 1 2 332.404 2.022 10 10 EECELO CC[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cccc(Cl)c1O ZINC000866520845 1201539222 /nfs/dbraw/zinc/53/92/22/1201539222.db2.gz IPBTZMXVRZWUJN-CZUORRHYSA-N 1 2 340.807 2.308 10 10 EECELO C[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(Cl)cc1O ZINC000866629681 1201564311 /nfs/dbraw/zinc/56/43/11/1201564311.db2.gz KGDNAQKZKIGTRY-VIFPVBQESA-N 1 2 335.791 2.465 10 10 EECELO CC[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc(Cl)c1O ZINC000850507361 1277254393 /nfs/dbraw/zinc/25/43/93/1277254393.db2.gz IWDFQUTUXNJMNS-GDBMZVCRSA-N 1 2 329.824 2.254 10 10 EECELO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Br)c(F)cc1O ZINC000858494708 1294133625 /nfs/dbraw/zinc/13/36/25/1294133625.db2.gz MOZNCQZFCVORMX-BWZBUEFSSA-N 1 2 331.185 2.208 10 10 EECELO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862420298 1295841694 /nfs/dbraw/zinc/84/16/94/1295841694.db2.gz ZARMODQZNWCPNR-CYBMUJFWSA-N 1 2 340.418 2.219 10 10 EECELO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862420298 1295841702 /nfs/dbraw/zinc/84/17/02/1295841702.db2.gz ZARMODQZNWCPNR-CYBMUJFWSA-N 1 2 340.418 2.219 10 10 EECELO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000843428741 1315913449 /nfs/dbraw/zinc/91/34/49/1315913449.db2.gz MSIKNELMYTZNOP-SNVBAGLBSA-N 1 2 346.258 2.251 10 10 EECELO CCOc1ccc(N2CC[NH+](CC(=O)N(C)CC3CC3)CC2)cc1 ZINC001322949485 1333357320 /nfs/dbraw/zinc/35/73/20/1333357320.db2.gz OUGCNSSJJLAJGN-UHFFFAOYSA-N 1 2 331.460 2.076 10 10 EECELO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cc(Br)cc(F)c1O ZINC000527950768 317291591 /nfs/dbraw/zinc/29/15/91/317291591.db2.gz ATRKTVWIBZXNPZ-HJIKLVIJSA-N 1 2 348.212 2.484 10 10 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CC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc(Cl)c1O ZINC000850507372 1277254405 /nfs/dbraw/zinc/25/44/05/1277254405.db2.gz IWDFQUTUXNJMNS-ZBFHGGJFSA-N 1 2 329.824 2.254 10 10 EECELO COC(=O)Cc1cc[nH+]c(N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000853085292 1292276575 /nfs/dbraw/zinc/27/65/75/1292276575.db2.gz JUJMRZKJBIWVDW-UHFFFAOYSA-N 1 2 341.411 2.132 10 10 EECELO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccc(O)cc1O ZINC000910943787 787147076 /nfs/dbraw/zinc/14/70/76/787147076.db2.gz OSBORCWZPLQCFY-LBPRGKRZSA-N 1 2 329.278 2.104 10 10 EECELO COc1ccc(O)c([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000845833475 789963179 /nfs/dbraw/zinc/96/31/79/789963179.db2.gz LRLTUKGKZFUTIK-GFCCVEGCSA-N 1 2 329.400 2.354 10 10 EECELO Oc1c(F)cc(Br)cc1C[NH2+]CC[C@@H](O)C(F)F ZINC000715743929 795494506 /nfs/dbraw/zinc/49/45/06/795494506.db2.gz DBAXYJKWUZXVCY-SECBINFHSA-N 1 2 328.128 2.400 10 10 EECELO C[NH+](C)[C@]1(C(=O)NCc2c(O)cccc2F)COc2ccccc2C1 ZINC001520694819 1119188065 /nfs/dbraw/zinc/18/80/65/1119188065.db2.gz 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COc1cccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)c1O ZINC001150543380 1316295302 /nfs/dbraw/zinc/29/53/02/1316295302.db2.gz NGTXIEPLLBPHKC-UHFFFAOYSA-N 1 2 339.351 2.222 10 10 EECELO O=C(Cc1ccc(O)c(O)c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001625560542 1352451861 /nfs/dbraw/zinc/45/18/61/1352451861.db2.gz VHIOTPVHNZKLIH-UHFFFAOYSA-N 1 2 341.342 2.282 10 10 EECELO C/C(=C\C(=O)NCc1c(O)ccc2ccccc21)C[NH+]1CCOCC1 ZINC001652709077 1354099891 /nfs/dbraw/zinc/09/98/91/1354099891.db2.gz UTZNJVCBTQCEIT-NTCAYCPXSA-N 1 2 340.423 2.440 10 10 EECELO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1c(F)ccc(O)c1O ZINC001654241279 1354144424 /nfs/dbraw/zinc/14/44/24/1354144424.db2.gz LTHSHLBBJIRFLX-UHFFFAOYSA-N 1 2 342.330 2.056 10 10 EECELO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(F)c2O)CO1 ZINC000722489413 778887920 /nfs/dbraw/zinc/88/79/20/778887920.db2.gz JNXOFMUAHALZPT-JTQLQIEISA-N 1 2 330.331 2.311 10 10 EECELO O=C1OCC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3O)CCN12 ZINC000824949748 788369445 /nfs/dbraw/zinc/36/94/45/788369445.db2.gz PASPYJQLCJRWAH-GFCCVEGCSA-N 1 2 341.205 2.181 10 10 EECELO CO[C@@]1(CO)CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895251210 684386772 /nfs/dbraw/zinc/38/67/72/684386772.db2.gz SXCZHJHRAHFQRQ-AWEZNQCLSA-N 1 2 348.212 2.267 10 10 EECELO CO[C@@]1(CO)CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895251210 684386779 /nfs/dbraw/zinc/38/67/79/684386779.db2.gz SXCZHJHRAHFQRQ-AWEZNQCLSA-N 1 2 348.212 2.267 10 10 EECELO O=C(NCc1ccccc1O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001137471270 1248667683 /nfs/dbraw/zinc/66/76/83/1248667683.db2.gz DPBHMBSHZJNOAK-UHFFFAOYSA-N 1 2 338.323 2.416 10 10 EECELO C/C(=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCOCC1 ZINC000907493341 784674294 /nfs/dbraw/zinc/67/42/94/784674294.db2.gz QTSJVPRLFMQYHH-MDJJKAFGSA-N 1 2 331.460 2.208 10 10 EECELO CO[C@](C)(CO)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708190714 786763840 /nfs/dbraw/zinc/76/38/40/786763840.db2.gz NBWSZOIVZIEJBS-LBPRGKRZSA-N 1 2 338.629 2.295 10 10 EECELO COC(=O)[C@]12C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]1COCC2 ZINC000793344333 810257615 /nfs/dbraw/zinc/25/76/15/810257615.db2.gz RYBKOUQELBILJR-MEDUHNTESA-N 1 2 343.782 2.196 10 10 EECELO COC(=O)[C@]12C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]1COCC2 ZINC000793344333 810257619 /nfs/dbraw/zinc/25/76/19/810257619.db2.gz RYBKOUQELBILJR-MEDUHNTESA-N 1 2 343.782 2.196 10 10 EECELO OC[C@H](C[NH2+]Cc1cccc(Br)c1O)c1cccnc1 ZINC000808430743 812652112 /nfs/dbraw/zinc/65/21/12/812652112.db2.gz JOIKPOGXTCNRLY-ZDUSSCGKSA-N 1 2 337.217 2.415 10 10 EECELO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000125736167 463574164 /nfs/dbraw/zinc/57/41/64/463574164.db2.gz AITJNZOHOINEMJ-ZWKOTPCHSA-N 1 2 332.444 2.439 10 10 EECELO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000125736167 463574171 /nfs/dbraw/zinc/57/41/71/463574171.db2.gz AITJNZOHOINEMJ-ZWKOTPCHSA-N 1 2 332.444 2.439 10 10 EECELO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Br)cc(F)c1O ZINC000185974009 463915478 /nfs/dbraw/zinc/91/54/78/463915478.db2.gz GZQCSIRMGMRWJK-MWLCHTKSSA-N 1 2 347.228 2.275 10 10 EECELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180107223 464243784 /nfs/dbraw/zinc/24/37/84/464243784.db2.gz YPXSCZBBKBTVPG-UHFFFAOYSA-N 1 2 332.423 2.199 10 10 EECELO CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C(N)=O ZINC000708155628 568417142 /nfs/dbraw/zinc/41/71/42/568417142.db2.gz DBLNQWMYPNAKPF-SNVBAGLBSA-N 1 2 335.629 2.408 10 10 EECELO Cc1ccncc1C[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000796508532 1220324638 /nfs/dbraw/zinc/32/46/38/1220324638.db2.gz IIHAAQNXTDSAEB-UHFFFAOYSA-N 1 2 326.444 2.204 10 10 EECELO Cc1ccncc1C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000796508532 1220324640 /nfs/dbraw/zinc/32/46/40/1220324640.db2.gz IIHAAQNXTDSAEB-UHFFFAOYSA-N 1 2 326.444 2.204 10 10 EECELO C/C(=C\C(=O)NCc1ccc(N2CCCC2)cc1)C[NH+]1CCOCC1 ZINC000900187372 1234075100 /nfs/dbraw/zinc/07/51/00/1234075100.db2.gz GRDNCRHQWTZBEY-SAPNQHFASA-N 1 2 343.471 2.182 10 10 EECELO COC[C@]1(C)C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000862552345 1295879537 /nfs/dbraw/zinc/87/95/37/1295879537.db2.gz WVTKFARYTWNGQV-AWEZNQCLSA-N 1 2 330.222 2.392 10 10 EECELO COC[C@]1(C)C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000862552345 1295879548 /nfs/dbraw/zinc/87/95/48/1295879548.db2.gz WVTKFARYTWNGQV-AWEZNQCLSA-N 1 2 330.222 2.392 10 10 EECELO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000824454317 788177692 /nfs/dbraw/zinc/17/76/92/788177692.db2.gz BZBCHTSFFVCBEB-JTQLQIEISA-N 1 2 328.771 2.459 10 10 EECELO O=C1OCCN1C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000824454317 788177696 /nfs/dbraw/zinc/17/76/96/788177696.db2.gz BZBCHTSFFVCBEB-JTQLQIEISA-N 1 2 328.771 2.459 10 10 EECELO Cc1ccc(N2CCC(NC(=O)c3cccc(O)c3O)CC2)[nH+]c1 ZINC000193087880 237369469 /nfs/dbraw/zinc/36/94/69/237369469.db2.gz SZXPXQNNHPLRFF-UHFFFAOYSA-N 1 2 327.384 2.200 10 10 EECELO Cc1nc(CN2CCC[N@H+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000183395653 464859366 /nfs/dbraw/zinc/85/93/66/464859366.db2.gz HHSMXYFOCRTOQP-UHFFFAOYSA-N 1 2 336.823 2.445 10 10 EECELO Cc1nc(CN2CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000183395653 464859371 /nfs/dbraw/zinc/85/93/71/464859371.db2.gz HHSMXYFOCRTOQP-UHFFFAOYSA-N 1 2 336.823 2.445 10 10 EECELO CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900401628 1234318254 /nfs/dbraw/zinc/31/82/54/1234318254.db2.gz YJTCHWQEEWHCBM-VKAVYKQESA-N 1 2 345.487 2.380 10 10 EECELO CC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cccc(Cl)c1O ZINC000903363169 1240312753 /nfs/dbraw/zinc/31/27/53/1240312753.db2.gz MEXWVCNQWYZIKP-DZGCQCFKSA-N 1 2 347.864 2.290 10 10 EECELO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)c(F)cc1O ZINC000858523873 1294143318 /nfs/dbraw/zinc/14/33/18/1294143318.db2.gz XPMDXXCUIHFVQV-VHSXEESVSA-N 1 2 347.228 2.275 10 10 EECELO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cccc(Br)c1O ZINC000841891607 1315631353 /nfs/dbraw/zinc/63/13/53/1315631353.db2.gz MOQPFNVILMTNQE-NWDGAFQWSA-N 1 2 343.265 2.042 10 10 EECELO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCc3cc(O)ccc3C2)cc1 ZINC001655145538 1354166102 /nfs/dbraw/zinc/16/61/02/1354166102.db2.gz ZARHAZRFMODBEV-UHFFFAOYSA-N 1 2 339.439 2.133 10 10 EECELO CN(C)c1ccc(CNC(=O)C[N@H+]2CCc3cc(O)ccc3C2)cc1 ZINC001655145538 1354166107 /nfs/dbraw/zinc/16/61/07/1354166107.db2.gz ZARHAZRFMODBEV-UHFFFAOYSA-N 1 2 339.439 2.133 10 10 EECELO CNC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708076579 786704056 /nfs/dbraw/zinc/70/40/56/786704056.db2.gz XLDSSBWDQBSVMU-MRVPVSSYSA-N 1 2 347.640 2.376 10 10 EECELO CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708076579 786704062 /nfs/dbraw/zinc/70/40/62/786704062.db2.gz XLDSSBWDQBSVMU-MRVPVSSYSA-N 1 2 347.640 2.376 10 10 EECELO Cc1cc(Br)c(O)c(C[NH2+]Cc2nc(N(C)C)no2)c1 ZINC000789556132 808076917 /nfs/dbraw/zinc/07/69/17/808076917.db2.gz PLBVMQMNAXBEEA-UHFFFAOYSA-N 1 2 341.209 2.202 10 10 EECELO CCOc1ccc(O)c(C[N@@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1 ZINC000190156265 464603895 /nfs/dbraw/zinc/60/38/95/464603895.db2.gz BBRUAYAINLPEGY-HUUCEWRRSA-N 1 2 333.388 2.444 10 10 EECELO CCOc1ccc(O)c(C[N@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1 ZINC000190156265 464603899 /nfs/dbraw/zinc/60/38/99/464603899.db2.gz BBRUAYAINLPEGY-HUUCEWRRSA-N 1 2 333.388 2.444 10 10 EECELO COc1cccc(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000375261649 466833940 /nfs/dbraw/zinc/83/39/40/466833940.db2.gz FFEXIBNSKGFGSV-OAHLLOKOSA-N 1 2 331.416 2.325 10 10 EECELO COc1cccc(C[N@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000375261649 466833942 /nfs/dbraw/zinc/83/39/42/466833942.db2.gz FFEXIBNSKGFGSV-OAHLLOKOSA-N 1 2 331.416 2.325 10 10 EECELO CCN(CC)c1ccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)cc1 ZINC000376295468 466903941 /nfs/dbraw/zinc/90/39/41/466903941.db2.gz HGHMEGPYJWPYMP-UHFFFAOYSA-N 1 2 345.487 2.404 10 10 EECELO NC(=O)C1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000048797096 678381773 /nfs/dbraw/zinc/38/17/73/678381773.db2.gz MHGUJTRSEMUGSQ-UHFFFAOYSA-N 1 2 327.222 2.288 10 10 EECELO Cc1nnc(CN2CC[NH+](Cc3c(O)cc(C)cc3Cl)CC2)[nH]1 ZINC000895263412 684407576 /nfs/dbraw/zinc/40/75/76/684407576.db2.gz SCGZPMXFSRCVCS-UHFFFAOYSA-N 1 2 335.839 2.098 10 10 EECELO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000895378061 684560958 /nfs/dbraw/zinc/56/09/58/684560958.db2.gz OUFVGQQSXOPTMA-OAHLLOKOSA-N 1 2 339.363 2.430 10 10 EECELO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000924710033 1206022311 /nfs/dbraw/zinc/02/23/11/1206022311.db2.gz GASYZEXSSUKJCJ-ZDUSSCGKSA-N 1 2 347.438 2.433 10 10 EECELO CC1(C)C[NH+](CC(=O)NCc2cccc(Br)c2O)C1 ZINC000847929144 1338382425 /nfs/dbraw/zinc/38/24/25/1338382425.db2.gz RMCFVTDGXYKFQW-UHFFFAOYSA-N 1 2 327.222 2.113 10 10 EECELO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc(Br)ccc1O ZINC000848069137 1338482785 /nfs/dbraw/zinc/48/27/85/1338482785.db2.gz QXANLQQLIQLVLH-SECBINFHSA-N 1 2 338.205 2.373 10 10 EECELO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(Br)ccc1O ZINC000848069137 1338482788 /nfs/dbraw/zinc/48/27/88/1338482788.db2.gz QXANLQQLIQLVLH-SECBINFHSA-N 1 2 338.205 2.373 10 10 EECELO CCOc1ccc(N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)cc1 ZINC001446416789 1100827886 /nfs/dbraw/zinc/82/78/86/1100827886.db2.gz RPLXOILZAZWOLA-UHFFFAOYSA-N 1 2 342.443 2.435 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000750049013 577986293 /nfs/dbraw/zinc/98/62/93/577986293.db2.gz RCWXVZKQWRFUEF-LLVKDONJSA-N 1 2 345.848 2.115 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000750049013 577986294 /nfs/dbraw/zinc/98/62/94/577986294.db2.gz RCWXVZKQWRFUEF-LLVKDONJSA-N 1 2 345.848 2.115 10 10 EECELO C[C@@H]([NH2+][C@H]1CCNC1=O)c1cc(Br)cc(Cl)c1O ZINC000850480953 1277238822 /nfs/dbraw/zinc/23/88/22/1277238822.db2.gz GAQPPCAMKMHPKB-LDWIPMOCSA-N 1 2 333.613 2.347 10 10 EECELO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000839623748 1315222286 /nfs/dbraw/zinc/22/22/86/1315222286.db2.gz SAXFMMSYQWLGNO-IBGZPJMESA-N 1 2 345.487 2.212 10 10 EECELO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000839623748 1315222290 /nfs/dbraw/zinc/22/22/90/1315222290.db2.gz SAXFMMSYQWLGNO-IBGZPJMESA-N 1 2 345.487 2.212 10 10 EECELO COCC(COC)N1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000840954417 783306279 /nfs/dbraw/zinc/30/62/79/783306279.db2.gz JJEJUKKBMAVPFK-UHFFFAOYSA-N 1 2 342.867 2.133 10 10 EECELO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cc([N+](=O)[O-])ccc1O ZINC000284310330 464145925 /nfs/dbraw/zinc/14/59/25/464145925.db2.gz LGWGUJGQUVDRQW-ZIBATOQPSA-N 1 2 326.393 2.109 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)N3CCOCC[C@@H]3C)CC2)cc1 ZINC000775428848 577437099 /nfs/dbraw/zinc/43/70/99/577437099.db2.gz GDPWOVZOOHTRLM-HNNXBMFYSA-N 1 2 347.459 2.484 10 10 EECELO CCC(CC)[C@@H](C(=O)NCc1c(O)cccc1F)[NH+]1CCOCC1 ZINC000928706093 1206413495 /nfs/dbraw/zinc/41/34/95/1206413495.db2.gz QBIKFWUKCVHWMY-KRWDZBQOSA-N 1 2 338.423 2.285 10 10 EECELO COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)cc1 ZINC000855223347 1293116911 /nfs/dbraw/zinc/11/69/11/1293116911.db2.gz GQCAIMBAULLGMD-LSDHHAIUSA-N 1 2 328.416 2.238 10 10 EECELO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1F ZINC000862525361 1295867116 /nfs/dbraw/zinc/86/71/16/1295867116.db2.gz ADAHJXUPQQKQBA-KGLIPLIRSA-N 1 2 326.437 2.043 10 10 EECELO CN(C)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1F ZINC000862525361 1295867124 /nfs/dbraw/zinc/86/71/24/1295867124.db2.gz ADAHJXUPQQKQBA-KGLIPLIRSA-N 1 2 326.437 2.043 10 10 EECELO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1ccc[nH+]c1N ZINC001251990087 1317535491 /nfs/dbraw/zinc/53/54/91/1317535491.db2.gz RQEBCQWLQWYPDX-AWEZNQCLSA-N 1 2 341.459 2.469 10 10 EECELO Cn1cccc1[C@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001334784231 1336296850 /nfs/dbraw/zinc/29/68/50/1336296850.db2.gz LPGJLDPOPCHUPW-HXUWFJFHSA-N 1 2 341.455 2.435 10 10 EECELO Cn1cccc1[C@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001334784231 1336296852 /nfs/dbraw/zinc/29/68/52/1336296852.db2.gz LPGJLDPOPCHUPW-HXUWFJFHSA-N 1 2 341.455 2.435 10 10 EECELO Cc1nc(CN2CC[NH+](Cc3c(O)cc(C)cc3Cl)CC2)no1 ZINC000840918561 684923694 /nfs/dbraw/zinc/92/36/94/684923694.db2.gz VGGOWRFLFNJGIL-UHFFFAOYSA-N 1 2 336.823 2.363 10 10 EECELO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@H](F)C3)CC2)cc1 ZINC000778231717 1207925051 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EECELO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCc1c(O)cccc1O ZINC001472063627 1110540863 /nfs/dbraw/zinc/54/08/63/1110540863.db2.gz PPESIZFKIMQMPK-UHFFFAOYSA-N 1 2 337.379 2.202 10 10 EECELO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(F)c(F)c1O ZINC000191204087 287041461 /nfs/dbraw/zinc/04/14/61/287041461.db2.gz JCOVVNRZXKQNBK-SNVBAGLBSA-N 1 2 331.326 2.497 10 10 EECELO COc1cc(O)c(C[N@@H+](C)Cc2nc([C@@H](C)OC)no2)cc1OC ZINC000271083123 464278938 /nfs/dbraw/zinc/27/89/38/464278938.db2.gz JQJKCWMVLXZDJZ-SNVBAGLBSA-N 1 2 337.376 2.132 10 10 EECELO COc1cc(O)c(C[N@H+](C)Cc2nc([C@@H](C)OC)no2)cc1OC ZINC000271083123 464278943 /nfs/dbraw/zinc/27/89/43/464278943.db2.gz JQJKCWMVLXZDJZ-SNVBAGLBSA-N 1 2 337.376 2.132 10 10 EECELO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000773740219 577362030 /nfs/dbraw/zinc/36/20/30/577362030.db2.gz AXYQSFRYEYFCBQ-GFCCVEGCSA-N 1 2 338.367 2.040 10 10 EECELO C[C@H]([NH2+]Cc1nsc(N(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC000775258867 577433848 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CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900401626 1234318646 /nfs/dbraw/zinc/31/86/46/1234318646.db2.gz YJTCHWQEEWHCBM-SAPNQHFASA-N 1 2 345.487 2.380 10 10 EECELO COc1ccc(N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)cc1F ZINC000857147504 1293734110 /nfs/dbraw/zinc/73/41/10/1293734110.db2.gz ODSSCHUXDXUSKM-UHFFFAOYSA-N 1 2 346.406 2.184 10 10 EECELO CCn1nccc1C[N@H+](CCO)Cc1cc(Cl)c(F)cc1O ZINC000816595705 784142783 /nfs/dbraw/zinc/14/27/83/784142783.db2.gz XWMPRTKZTPPIKV-UHFFFAOYSA-N 1 2 327.787 2.396 10 10 EECELO CCn1nccc1C[N@@H+](CCO)Cc1cc(Cl)c(F)cc1O ZINC000816595705 784142790 /nfs/dbraw/zinc/14/27/90/784142790.db2.gz XWMPRTKZTPPIKV-UHFFFAOYSA-N 1 2 327.787 2.396 10 10 EECELO COc1ccc(N2CC[NH+]([C@H]3CCN(C(C)(C)C)C3=O)CC2)cc1F ZINC000822679904 787336034 /nfs/dbraw/zinc/33/60/34/787336034.db2.gz CILMFZDMEUYLFS-INIZCTEOSA-N 1 2 349.450 2.356 10 10 EECELO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Br)cc(F)c1O ZINC000846192172 790085948 /nfs/dbraw/zinc/08/59/48/790085948.db2.gz FTGXLJYOSPMORI-OTYXRUKQSA-N 1 2 348.212 2.486 10 10 EECELO COC[C@H](CC[NH2+]Cc1cc(Br)cc(F)c1O)OC ZINC000715827334 795538051 /nfs/dbraw/zinc/53/80/51/795538051.db2.gz KXMDSTWOVLCTIU-NSHDSACASA-N 1 2 336.201 2.435 10 10 EECELO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000378119349 529780035 /nfs/dbraw/zinc/78/00/35/529780035.db2.gz YLPOKHQNMPCIQW-CQSZACIVSA-N 1 2 327.432 2.175 10 10 EECELO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000378119349 529780036 /nfs/dbraw/zinc/78/00/36/529780036.db2.gz YLPOKHQNMPCIQW-CQSZACIVSA-N 1 2 327.432 2.175 10 10 EECELO COC(=O)C=C1[NH2+]N(c2ccc(F)cc2)C([O-])=C1C(C)=[NH+]C1CC1 ZINC000101842228 219167042 /nfs/dbraw/zinc/16/70/42/219167042.db2.gz XOTUQZFSUMJZQT-MHWRWJLKSA-N 1 2 331.347 2.117 10 10 EECELO COc1c(O)c(C[N@@H+]2CCOC[C@@H]2CC(F)F)ccc1[N+](=O)[O-] ZINC000289783423 464095667 /nfs/dbraw/zinc/09/56/67/464095667.db2.gz RSNRXIILXIIPFO-JTQLQIEISA-N 1 2 332.303 2.165 10 10 EECELO COc1c(O)c(C[N@H+]2CCOC[C@@H]2CC(F)F)ccc1[N+](=O)[O-] ZINC000289783423 464095672 /nfs/dbraw/zinc/09/56/72/464095672.db2.gz RSNRXIILXIIPFO-JTQLQIEISA-N 1 2 332.303 2.165 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)c3n[nH]c(C)c3C)CC2)cc1 ZINC000734430326 577296129 /nfs/dbraw/zinc/29/61/29/577296129.db2.gz NUOVCCZLUOTRDD-UHFFFAOYSA-N 1 2 328.416 2.434 10 10 EECELO CC[C@@]1(C2CC2)NC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000758179283 577617701 /nfs/dbraw/zinc/61/77/01/577617701.db2.gz TZSNGJSRNIESFV-IBGZPJMESA-N 1 2 344.459 2.253 10 10 EECELO CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000758179283 577617702 /nfs/dbraw/zinc/61/77/02/577617702.db2.gz TZSNGJSRNIESFV-IBGZPJMESA-N 1 2 344.459 2.253 10 10 EECELO COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)cc1 ZINC000898580953 693382551 /nfs/dbraw/zinc/38/25/51/693382551.db2.gz QHHUIRREPPCHTQ-OAHLLOKOSA-N 1 2 342.443 2.330 10 10 EECELO COc1ccc(C[NH2+]C(c2ccnn2C)c2ccnn2C)cc1C ZINC000858322383 1294082312 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CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC001540417213 1124082272 /nfs/dbraw/zinc/08/22/72/1124082272.db2.gz CIOHFWGCTIEUNN-ROUUACIJSA-N 1 2 333.476 2.258 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000185214761 463779683 /nfs/dbraw/zinc/77/96/83/463779683.db2.gz XCRCPGJAIVTUDI-INIZCTEOSA-N 1 2 325.792 2.240 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000185214761 463779684 /nfs/dbraw/zinc/77/96/84/463779684.db2.gz XCRCPGJAIVTUDI-INIZCTEOSA-N 1 2 325.792 2.240 10 10 EECELO CCOC(=O)[C@@H](CC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775052402 577427953 /nfs/dbraw/zinc/42/79/53/577427953.db2.gz CDOPEBWLRAWIOH-GFCCVEGCSA-N 1 2 338.360 2.130 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)N[C@H]3CCOC[C@H]3C)CC2)cc1 ZINC000763629373 577723666 /nfs/dbraw/zinc/72/36/66/577723666.db2.gz WZAGUUZMAKMTIR-KDOFPFPSSA-N 1 2 347.459 2.388 10 10 EECELO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc2cc(O)c(O)cc2s1 ZINC000898096931 691879645 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COc1ccc(N2CCC[N@H+](CN3CC(F)(F)CC3=O)CC2)cc1 ZINC000841674329 1315593801 /nfs/dbraw/zinc/59/38/01/1315593801.db2.gz GEAUHNPCNRIZQB-UHFFFAOYSA-N 1 2 339.386 2.032 10 10 EECELO COc1ccc(N2CCC[N@@H+](CN3CC(F)(F)CC3=O)CC2)cc1 ZINC000841674329 1315593803 /nfs/dbraw/zinc/59/38/03/1315593803.db2.gz GEAUHNPCNRIZQB-UHFFFAOYSA-N 1 2 339.386 2.032 10 10 EECELO COC(=O)c1c(C[N@@H+]2CC[C@@]23CCOC3)c2cc(F)ccc2n1C ZINC001332717020 1335889405 /nfs/dbraw/zinc/88/94/05/1335889405.db2.gz JNFYZLPOCZLSCQ-SFHVURJKSA-N 1 2 332.375 2.469 10 10 EECELO COC(=O)c1c(C[N@H+]2CC[C@@]23CCOC3)c2cc(F)ccc2n1C ZINC001332717020 1335889410 /nfs/dbraw/zinc/88/94/10/1335889410.db2.gz JNFYZLPOCZLSCQ-SFHVURJKSA-N 1 2 332.375 2.469 10 10 EECELO CNC(=O)CC[N@H+](C)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000171670859 791438893 /nfs/dbraw/zinc/43/88/93/791438893.db2.gz NCZXGILHJLVZPR-UHFFFAOYSA-N 1 2 345.418 2.484 10 10 EECELO CNC(=O)CC[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000171670859 791438898 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/nfs/dbraw/zinc/13/03/84/1292130384.db2.gz GNVJVMINNDKZFT-IFXJQAMLSA-N 1 2 343.402 2.268 10 10 EECELO CCOc1ccc(C[NH2+][C@@H](C[C@H]2CCCOC2)C(=O)OC)c(O)c1 ZINC000862516134 1295865191 /nfs/dbraw/zinc/86/51/91/1295865191.db2.gz LJFSGLRNCUZZQV-CJNGLKHVSA-N 1 2 337.416 2.239 10 10 EECELO O=C(NCc1c(O)cccc1O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001647268789 1353213063 /nfs/dbraw/zinc/21/30/63/1353213063.db2.gz CIACAMMXFBKJTK-MRXNPFEDSA-N 1 2 341.411 2.164 10 10 EECELO O=C(NCc1c(O)cccc1O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001647268789 1353213067 /nfs/dbraw/zinc/21/30/67/1353213067.db2.gz CIACAMMXFBKJTK-MRXNPFEDSA-N 1 2 341.411 2.164 10 10 EECELO COc1ccc(N2CC[NH+](CCNC(=O)C(F)=C3CCC3)CC2)cc1 ZINC000819186699 785452873 /nfs/dbraw/zinc/45/28/73/785452873.db2.gz VMOLTERLLLHYRE-UHFFFAOYSA-N 1 2 347.434 2.341 10 10 EECELO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279645451 464117538 /nfs/dbraw/zinc/11/75/38/464117538.db2.gz MFLUYGPIWQETSE-AWEZNQCLSA-N 1 2 329.366 2.482 10 10 EECELO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279645451 464117542 /nfs/dbraw/zinc/11/75/42/464117542.db2.gz MFLUYGPIWQETSE-AWEZNQCLSA-N 1 2 329.366 2.482 10 10 EECELO COc1cc(Br)cc([C@H](C)[NH2+]CC(F)(F)CO)c1O ZINC000848545181 1186200086 /nfs/dbraw/zinc/20/00/86/1186200086.db2.gz AXYAABMZJSMBBU-ZETCQYMHSA-N 1 2 340.164 2.442 10 10 EECELO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000825709743 1198769466 /nfs/dbraw/zinc/76/94/66/1198769466.db2.gz AMSTVAGOZSPJGZ-JMJZKYOTSA-N 1 2 328.206 2.442 10 10 EECELO CCOC(=O)CN1C(=O)/C(=C\c2c[nH+]cn2CC)c2ccccc21 ZINC000901487011 1235867436 /nfs/dbraw/zinc/86/74/36/1235867436.db2.gz WMUHHNGMVIWFPO-DHDCSXOGSA-N 1 2 325.368 2.353 10 10 EECELO COc1ccc(N(C)CC[N@H+](C)Cc2cn(CC3CC3)nn2)cc1 ZINC000844403198 789070271 /nfs/dbraw/zinc/07/02/71/789070271.db2.gz ZMPFFIPUUGITMS-UHFFFAOYSA-N 1 2 329.448 2.265 10 10 EECELO COc1ccc(N(C)CC[N@@H+](C)Cc2cn(CC3CC3)nn2)cc1 ZINC000844403198 789070277 /nfs/dbraw/zinc/07/02/77/789070277.db2.gz ZMPFFIPUUGITMS-UHFFFAOYSA-N 1 2 329.448 2.265 10 10 EECELO CS(=O)(=O)c1cccnc1C[NH2+]Cc1c(O)cccc1Cl ZINC000785572557 806524880 /nfs/dbraw/zinc/52/48/80/806524880.db2.gz OYJNQSXYTAKZCM-UHFFFAOYSA-N 1 2 326.805 2.134 10 10 EECELO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCc1ccc(O)cc1O ZINC001451772430 1097918227 /nfs/dbraw/zinc/91/82/27/1097918227.db2.gz VVXQOJCZESDNSB-UHFFFAOYSA-N 1 2 337.379 2.202 10 10 EECELO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1 ZINC000190156287 464604513 /nfs/dbraw/zinc/60/45/13/464604513.db2.gz BBRUAYAINLPEGY-LSDHHAIUSA-N 1 2 333.388 2.444 10 10 EECELO CCOc1ccc(O)c(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1 ZINC000190156287 464604516 /nfs/dbraw/zinc/60/45/16/464604516.db2.gz BBRUAYAINLPEGY-LSDHHAIUSA-N 1 2 333.388 2.444 10 10 EECELO COC(=O)[C@@H](CC1CCOCC1)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895589950 684652561 /nfs/dbraw/zinc/65/25/61/684652561.db2.gz CPSUJKFLUMPVIN-OAHLLOKOSA-N 1 2 337.416 2.157 10 10 EECELO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc2cc(O)c(O)cc2s1 ZINC000897729847 691772739 /nfs/dbraw/zinc/77/27/39/691772739.db2.gz GKBPBZQSXWOFNM-JTQLQIEISA-N 1 2 329.381 2.254 10 10 EECELO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000827544628 1248408890 /nfs/dbraw/zinc/40/88/90/1248408890.db2.gz GYMSXFPHBXRVSX-SNVBAGLBSA-N 1 2 329.803 2.372 10 10 EECELO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000827544628 1248408900 /nfs/dbraw/zinc/40/89/00/1248408900.db2.gz GYMSXFPHBXRVSX-SNVBAGLBSA-N 1 2 329.803 2.372 10 10 EECELO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC001466151103 1110430860 /nfs/dbraw/zinc/43/08/60/1110430860.db2.gz LBPAHBUTUNJHCG-AWEZNQCLSA-N 1 2 338.371 2.253 10 10 EECELO COc1cc(N2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)ncn1 ZINC000764676980 577486533 /nfs/dbraw/zinc/48/65/33/577486533.db2.gz PJKKRQBHGKSIID-UHFFFAOYSA-N 1 2 345.422 2.013 10 10 EECELO COc1cc(O)c(C[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1OC ZINC000768466124 577556570 /nfs/dbraw/zinc/55/65/70/577556570.db2.gz MLQSZFVIQRTCNZ-UHFFFAOYSA-N 1 2 336.432 2.241 10 10 EECELO COc1cc(O)c(C[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1OC ZINC000768466124 577556571 /nfs/dbraw/zinc/55/65/71/577556571.db2.gz MLQSZFVIQRTCNZ-UHFFFAOYSA-N 1 2 336.432 2.241 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)N[C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000757071246 577856064 /nfs/dbraw/zinc/85/60/64/577856064.db2.gz GETFLDUCKSPCOB-CYBMUJFWSA-N 1 2 343.431 2.448 10 10 EECELO CCN1OC[C@@H]([N@H+](CC)Cc2cc(Br)ccc2O)C1=O ZINC001652595692 1354096688 /nfs/dbraw/zinc/09/66/88/1354096688.db2.gz LPSRHTKVYNREJC-GFCCVEGCSA-N 1 2 343.221 2.139 10 10 EECELO CCN1OC[C@@H]([N@@H+](CC)Cc2cc(Br)ccc2O)C1=O ZINC001652595692 1354096690 /nfs/dbraw/zinc/09/66/90/1354096690.db2.gz LPSRHTKVYNREJC-GFCCVEGCSA-N 1 2 343.221 2.139 10 10 EECELO COc1cccc(O)c1C[NH2+]Cc1nn(C)cc1Br ZINC000824780594 788298954 /nfs/dbraw/zinc/29/89/54/788298954.db2.gz VUDRWPPMMBBTBJ-UHFFFAOYSA-N 1 2 326.194 2.187 10 10 EECELO O=C(/C=C/c1ccc(O)c(O)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000180657395 464361713 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CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000895614972 684663894 /nfs/dbraw/zinc/66/38/94/684663894.db2.gz XJQNCTDOYNGJHX-UHFFFAOYSA-N 1 2 346.880 2.386 10 10 EECELO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864636994 1197856671 /nfs/dbraw/zinc/85/66/71/1197856671.db2.gz DRFHCYDTWTUPGK-QGZVFWFLSA-N 1 2 328.416 2.092 10 10 EECELO COC[C@@]1(C)C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000862552346 1295879921 /nfs/dbraw/zinc/87/99/21/1295879921.db2.gz WVTKFARYTWNGQV-CQSZACIVSA-N 1 2 330.222 2.392 10 10 EECELO COC[C@@]1(C)C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000862552346 1295879929 /nfs/dbraw/zinc/87/99/29/1295879929.db2.gz WVTKFARYTWNGQV-CQSZACIVSA-N 1 2 330.222 2.392 10 10 EECELO Cc1cnc(C[NH2+][C@@H](C)CNC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001491689734 1330207207 /nfs/dbraw/zinc/20/72/07/1330207207.db2.gz FMOWURLZEDHAAR-JTQLQIEISA-N 1 2 344.375 2.054 10 10 EECELO C[NH+](C)[C@@]1(C(=O)NCc2c(O)cccc2F)COc2ccccc2C1 ZINC001520694820 1119187877 /nfs/dbraw/zinc/18/78/77/1119187877.db2.gz INTBJCBGDYWVJC-LJQANCHMSA-N 1 2 344.386 2.083 10 10 EECELO O=S(=O)([C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1)N1CCCC1 ZINC000180756163 464387869 /nfs/dbraw/zinc/38/78/69/464387869.db2.gz IXMWPLCZSCYBOE-ZDUSSCGKSA-N 1 2 344.864 2.046 10 10 EECELO O=S(=O)([C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1)N1CCCC1 ZINC000180756163 464387875 /nfs/dbraw/zinc/38/78/75/464387875.db2.gz IXMWPLCZSCYBOE-ZDUSSCGKSA-N 1 2 344.864 2.046 10 10 EECELO O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000180987948 464430585 /nfs/dbraw/zinc/43/05/85/464430585.db2.gz DHYCQBKDXCFITR-DUXPYHPUSA-N 1 2 336.351 2.008 10 10 EECELO CCOc1cccc(C[N@@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190159140 464604750 /nfs/dbraw/zinc/60/47/50/464604750.db2.gz JQPWPSZZUKXUKK-ZIAGYGMSSA-N 1 2 333.388 2.444 10 10 EECELO CCOc1cccc(C[N@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190159140 464604754 /nfs/dbraw/zinc/60/47/54/464604754.db2.gz JQPWPSZZUKXUKK-ZIAGYGMSSA-N 1 2 333.388 2.444 10 10 EECELO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C(F)C(F)(F)F)cc1C ZINC001266940740 1177853204 /nfs/dbraw/zinc/85/32/04/1177853204.db2.gz KCOUEFYFQLNZQM-GWCFXTLKSA-N 1 2 336.329 2.498 10 10 EECELO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](F)C(F)(F)F)cc1C ZINC001266940740 1177853216 /nfs/dbraw/zinc/85/32/16/1177853216.db2.gz KCOUEFYFQLNZQM-GWCFXTLKSA-N 1 2 336.329 2.498 10 10 EECELO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(F)cc(F)c1O ZINC000850518198 1277256778 /nfs/dbraw/zinc/25/67/78/1277256778.db2.gz CMLOPNJTIKLYTO-SSDOTTSWSA-N 1 2 347.305 2.298 10 10 EECELO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cccc(Br)c1O ZINC000714343035 794922774 /nfs/dbraw/zinc/92/27/74/794922774.db2.gz UJITZSLMIZXBCE-NSHDSACASA-N 1 2 348.262 2.212 10 10 EECELO Cc1c(Br)cc([C@@H]([NH3+])CO)c(O)c1Br ZINC000072199898 300909244 /nfs/dbraw/zinc/90/92/44/300909244.db2.gz ZHNMNOWCSUMBBX-ZETCQYMHSA-N 1 2 325.000 2.218 10 10 EECELO CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(C[NH3+])c2)cc1 ZINC000029343585 463253565 /nfs/dbraw/zinc/25/35/65/463253565.db2.gz VUNJULKJSUZKCY-UHFFFAOYSA-N 1 2 329.352 2.024 10 10 EECELO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000278688270 463975795 /nfs/dbraw/zinc/97/57/95/463975795.db2.gz SAVIDEBFLWUGSB-SFHVURJKSA-N 1 2 341.459 2.271 10 10 EECELO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000278688270 463975799 /nfs/dbraw/zinc/97/57/99/463975799.db2.gz SAVIDEBFLWUGSB-SFHVURJKSA-N 1 2 341.459 2.271 10 10 EECELO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)CC2 ZINC000187794544 464162847 /nfs/dbraw/zinc/16/28/47/464162847.db2.gz BRPDGXBWVAHXAC-ZJUUUORDSA-N 1 2 338.358 2.074 10 10 EECELO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(Cl)c3O)C2=O)n(C)n1 ZINC000182483393 464666226 /nfs/dbraw/zinc/66/62/26/464666226.db2.gz CQUDAYPLLDUWHO-AWEZNQCLSA-N 1 2 348.834 2.373 10 10 EECELO COC(=O)/C=C/c1ccc(N2CCn3cc(C)[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000374712021 466721309 /nfs/dbraw/zinc/72/13/09/466721309.db2.gz BNZLIWWPPIWYCE-GQCTYLIASA-N 1 2 342.355 2.306 10 10 EECELO CN(C)c1ccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1F ZINC000771472098 577214364 /nfs/dbraw/zinc/21/43/64/577214364.db2.gz DZTURCMOYYWTDW-UHFFFAOYSA-N 1 2 339.374 2.402 10 10 EECELO COc1ccc2c(c1)CCC[N@H+]2C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000754642928 577809909 /nfs/dbraw/zinc/80/99/09/577809909.db2.gz NCFIMJARVXIXRU-CQSZACIVSA-N 1 2 338.473 2.119 10 10 EECELO COc1ccc2c(c1)CCC[N@@H+]2C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000754642928 577809910 /nfs/dbraw/zinc/80/99/10/577809910.db2.gz NCFIMJARVXIXRU-CQSZACIVSA-N 1 2 338.473 2.119 10 10 EECELO O=C(NCC[NH+]1CCSCC1)c1cc2cc(O)c(O)cc2s1 ZINC000896326051 684938037 /nfs/dbraw/zinc/93/80/37/684938037.db2.gz WFSQBXXHFZKOBG-UHFFFAOYSA-N 1 2 338.454 2.091 10 10 EECELO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000924710032 1206022348 /nfs/dbraw/zinc/02/23/48/1206022348.db2.gz GASYZEXSSUKJCJ-CYBMUJFWSA-N 1 2 347.438 2.433 10 10 EECELO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ncnn21 ZINC000850351569 1277193922 /nfs/dbraw/zinc/19/39/22/1277193922.db2.gz CWRCKOKSSPTXCT-SWLSCSKDSA-N 1 2 331.395 2.049 10 10 EECELO Cc1cc(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000840909277 1315433824 /nfs/dbraw/zinc/43/38/24/1315433824.db2.gz FZQDQMREOIEJAO-INIZCTEOSA-N 1 2 338.835 2.177 10 10 EECELO Cn1cnc(CC[NH2+]Cc2cc(Br)cc(F)c2O)c1 ZINC000715766872 795500806 /nfs/dbraw/zinc/50/08/06/795500806.db2.gz YJMVGTWOXAHGOR-UHFFFAOYSA-N 1 2 328.185 2.360 10 10 EECELO CC[C@@H](CNC(=O)c1[nH]ncc1F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495055035 1104691932 /nfs/dbraw/zinc/69/19/32/1104691932.db2.gz PZOPGOYARLGGKC-ZDUSSCGKSA-N 1 2 334.395 2.164 10 10 EECELO CCn1nc(C)c(C[NH2+]Cc2cccc(Br)c2O)n1 ZINC000296802038 465234315 /nfs/dbraw/zinc/23/43/15/465234315.db2.gz MPSWQTOCUDNMFY-UHFFFAOYSA-N 1 2 325.210 2.364 10 10 EECELO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1O ZINC000184690820 465018765 /nfs/dbraw/zinc/01/87/65/465018765.db2.gz XRVYULXJSLSCGX-CQSZACIVSA-N 1 2 337.807 2.152 10 10 EECELO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1O ZINC000184690820 465018767 /nfs/dbraw/zinc/01/87/67/465018767.db2.gz XRVYULXJSLSCGX-CQSZACIVSA-N 1 2 337.807 2.152 10 10 EECELO Cc1nc(N(C)C)nc(NCc2ccc(N3CCSCC3)cc2)[nH+]1 ZINC000764391395 577735202 /nfs/dbraw/zinc/73/52/02/577735202.db2.gz HVASWHHGGYPQOR-UHFFFAOYSA-N 1 2 344.488 2.411 10 10 EECELO Cc1nc(NCc2ccc(N3CCSCC3)cc2)nc(N(C)C)[nH+]1 ZINC000764391395 577735203 /nfs/dbraw/zinc/73/52/03/577735203.db2.gz HVASWHHGGYPQOR-UHFFFAOYSA-N 1 2 344.488 2.411 10 10 EECELO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1 ZINC000898881750 693510659 /nfs/dbraw/zinc/51/06/59/693510659.db2.gz OXUQYQXPESGODW-QGZVFWFLSA-N 1 2 338.411 2.291 10 10 EECELO COc1ccc(N2CC[NH+](Cc3cnn(CCF)c3)CC2)cc1F ZINC000929822394 1206505368 /nfs/dbraw/zinc/50/53/68/1206505368.db2.gz QQIHCJYGURCQIM-UHFFFAOYSA-N 1 2 336.386 2.323 10 10 EECELO CC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cccc(Cl)c1O ZINC000903363171 1240312982 /nfs/dbraw/zinc/31/29/82/1240312982.db2.gz MEXWVCNQWYZIKP-UKRRQHHQSA-N 1 2 347.864 2.290 10 10 EECELO CC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc(Cl)c1O ZINC000850507363 1277254245 /nfs/dbraw/zinc/25/42/45/1277254245.db2.gz IWDFQUTUXNJMNS-GOEBONIOSA-N 1 2 329.824 2.254 10 10 EECELO COc1ccc(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)c(O)c1 ZINC001296968443 1329935408 /nfs/dbraw/zinc/93/54/08/1329935408.db2.gz NTSZPMVMPOUNGF-UHFFFAOYSA-N 1 2 337.379 2.445 10 10 EECELO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[NH+](CCCF)CC1 ZINC001332595177 1335858305 /nfs/dbraw/zinc/85/83/05/1335858305.db2.gz CPWXTBCEAUNYQW-UHFFFAOYSA-N 1 2 338.404 2.430 10 10 EECELO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000292790215 464343402 /nfs/dbraw/zinc/34/34/02/464343402.db2.gz MHMBUMNKNXWWIC-ZDUSSCGKSA-N 1 2 340.376 2.329 10 10 EECELO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000292790215 464343405 /nfs/dbraw/zinc/34/34/05/464343405.db2.gz MHMBUMNKNXWWIC-ZDUSSCGKSA-N 1 2 340.376 2.329 10 10 EECELO CCCN(CCC)c1ccc(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000769502045 577579322 /nfs/dbraw/zinc/57/93/22/577579322.db2.gz SHGBVAIQWNHWFX-QGZVFWFLSA-N 1 2 347.503 2.338 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)N[C@@H]3CCOC[C@H]3C)CC2)cc1 ZINC000763629376 577723660 /nfs/dbraw/zinc/72/36/60/577723660.db2.gz WZAGUUZMAKMTIR-RDTXWAMCSA-N 1 2 347.459 2.388 10 10 EECELO COc1ccc(C[NH2+]CC=CCNC(=O)c2[nH]nc(C)c2C)cc1C ZINC001268521211 1183170745 /nfs/dbraw/zinc/17/07/45/1183170745.db2.gz DTLFHKNBYHYTOU-AATRIKPKSA-N 1 2 342.443 2.419 10 10 EECELO CCc1nnc([C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000851717658 1277725415 /nfs/dbraw/zinc/72/54/15/1277725415.db2.gz NMDOWYZCMNBVPP-CQSZACIVSA-N 1 2 329.448 2.397 10 10 EECELO CCc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000851717658 1277725427 /nfs/dbraw/zinc/72/54/27/1277725427.db2.gz NMDOWYZCMNBVPP-CQSZACIVSA-N 1 2 329.448 2.397 10 10 EECELO O=C(Cc1ccc(O)c(O)c1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001650962191 1354035667 /nfs/dbraw/zinc/03/56/67/1354035667.db2.gz NDIUGOOKYUQLBV-INIZCTEOSA-N 1 2 337.379 2.395 10 10 EECELO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715716230 795483803 /nfs/dbraw/zinc/48/38/03/795483803.db2.gz DJUYZBKODMHJSV-WRWORJQWSA-N 1 2 331.185 2.051 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000069846206 463338257 /nfs/dbraw/zinc/33/82/57/463338257.db2.gz UXIAFLKZFUMYHC-GJZGRUSLSA-N 1 2 347.459 2.483 10 10 EECELO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)n1-c1ccc(F)cc1 ZINC000194623873 463897220 /nfs/dbraw/zinc/89/72/20/463897220.db2.gz AKQOYBJNQPWOAK-QGZVFWFLSA-N 1 2 345.418 2.294 10 10 EECELO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccc(F)cc1 ZINC000194623873 463897228 /nfs/dbraw/zinc/89/72/28/463897228.db2.gz AKQOYBJNQPWOAK-QGZVFWFLSA-N 1 2 345.418 2.294 10 10 EECELO C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)c1ccc(N(C)C)cc1 ZINC000773015000 577310385 /nfs/dbraw/zinc/31/03/85/577310385.db2.gz MQJVIEWRPMMEHL-OAHLLOKOSA-N 1 2 331.460 2.185 10 10 EECELO COCC[N@@H+]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1C ZINC000177130701 680055219 /nfs/dbraw/zinc/05/52/19/680055219.db2.gz DFHJQHNGDIMAQD-GFCCVEGCSA-N 1 2 340.851 2.401 10 10 EECELO COCC[N@H+]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1C ZINC000177130701 680055224 /nfs/dbraw/zinc/05/52/24/680055224.db2.gz DFHJQHNGDIMAQD-GFCCVEGCSA-N 1 2 340.851 2.401 10 10 EECELO CCOc1ccc(C[NH2+][C@H](C[C@@H]2CCCOC2)C(=O)OC)c(O)c1 ZINC000862516136 1295864298 /nfs/dbraw/zinc/86/42/98/1295864298.db2.gz LJFSGLRNCUZZQV-XJKSGUPXSA-N 1 2 337.416 2.239 10 10 EECELO COCC(COC)N1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840955497 1315445130 /nfs/dbraw/zinc/44/51/30/1315445130.db2.gz VFZSOGZZWSOYID-UHFFFAOYSA-N 1 2 342.867 2.133 10 10 EECELO Oc1c(Br)cc(Cl)cc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000708193793 786764141 /nfs/dbraw/zinc/76/41/41/786764141.db2.gz WUKYNCIPSBPCLV-QWRGUYRKSA-N 1 2 336.613 2.048 10 10 EECELO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c(C(F)(F)F)c1 ZINC000846103763 790063802 /nfs/dbraw/zinc/06/38/02/790063802.db2.gz XESOWIQMBSGMCV-UTWWPYJBSA-N 1 2 332.391 2.477 10 10 EECELO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c(C(F)(F)F)c1 ZINC000846103763 790063807 /nfs/dbraw/zinc/06/38/07/790063807.db2.gz XESOWIQMBSGMCV-UTWWPYJBSA-N 1 2 332.391 2.477 10 10 EECELO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001463815333 1110381069 /nfs/dbraw/zinc/38/10/69/1110381069.db2.gz YKGXOEZIMJIYSG-UHFFFAOYSA-N 1 2 345.487 2.356 10 10 EECELO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1OC ZINC000160243864 237233669 /nfs/dbraw/zinc/23/36/69/237233669.db2.gz XWMWZCISUDYPIV-OAHLLOKOSA-N 1 2 336.413 2.439 10 10 EECELO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1OC ZINC000160243864 237233675 /nfs/dbraw/zinc/23/36/75/237233675.db2.gz XWMWZCISUDYPIV-OAHLLOKOSA-N 1 2 336.413 2.439 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)N(C)Cc3cc[nH]n3)CC2)cc1 ZINC000732701682 577189102 /nfs/dbraw/zinc/18/91/02/577189102.db2.gz OHEZYPCWROXBSW-UHFFFAOYSA-N 1 2 343.431 2.229 10 10 EECELO COc1ccc([NH+]2CCC(N3C(=O)CN(C4CCC4)C3=O)CC2)cc1 ZINC000761223158 577679661 /nfs/dbraw/zinc/67/96/61/577679661.db2.gz OQGSRHAGFQEDDP-UHFFFAOYSA-N 1 2 343.427 2.481 10 10 EECELO COC(=O)c1c(C[NH+]2CC3(C2)CCOC3)c2cc(F)ccc2n1C ZINC000894868318 683247293 /nfs/dbraw/zinc/24/72/93/683247293.db2.gz SMZSCLSYWLEOPN-UHFFFAOYSA-N 1 2 332.375 2.326 10 10 EECELO CCOC(=O)C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC001654805893 1354158947 /nfs/dbraw/zinc/15/89/47/1354158947.db2.gz HNJXGUYUQRSUBB-UHFFFAOYSA-N 1 2 337.416 2.489 10 10 EECELO CCOC(=O)C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC001654805893 1354158951 /nfs/dbraw/zinc/15/89/51/1354158951.db2.gz HNJXGUYUQRSUBB-UHFFFAOYSA-N 1 2 337.416 2.489 10 10 EECELO NC(=O)C1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715824990 795537679 /nfs/dbraw/zinc/53/76/79/795537679.db2.gz BYCUWDLKEOOSTC-UHFFFAOYSA-N 1 2 345.212 2.428 10 10 EECELO Cc1csc([C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CCO2)n1 ZINC000156511025 463033461 /nfs/dbraw/zinc/03/34/61/463033461.db2.gz GWGWHVGNRDAYCI-OAHLLOKOSA-N 1 2 334.397 2.459 10 10 EECELO Cc1csc([C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCO2)n1 ZINC000156511025 463033462 /nfs/dbraw/zinc/03/34/62/463033462.db2.gz GWGWHVGNRDAYCI-OAHLLOKOSA-N 1 2 334.397 2.459 10 10 EECELO CCC[NH+](CCC)c1ccc(CN2CCn3c(CO)nnc3C2)cc1 ZINC000769517035 577579613 /nfs/dbraw/zinc/57/96/13/577579613.db2.gz NNEDBMNTJLGBEV-UHFFFAOYSA-N 1 2 343.475 2.413 10 10 EECELO COc1cccc(O)c1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000770350403 577594434 /nfs/dbraw/zinc/59/44/34/577594434.db2.gz GVSHUMUCKIEACB-CJNGLKHVSA-N 1 2 333.384 2.318 10 10 EECELO COc1cccc(O)c1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000770350403 577594435 /nfs/dbraw/zinc/59/44/35/577594435.db2.gz GVSHUMUCKIEACB-CJNGLKHVSA-N 1 2 333.384 2.318 10 10 EECELO C[N@H+](Cc1cn(CC2CC2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000827337872 1247925495 /nfs/dbraw/zinc/92/54/95/1247925495.db2.gz YUAPFNMMSQYSNP-UHFFFAOYSA-N 1 2 341.459 2.157 10 10 EECELO C[N@@H+](Cc1cn(CC2CC2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000827337872 1247925505 /nfs/dbraw/zinc/92/55/05/1247925505.db2.gz YUAPFNMMSQYSNP-UHFFFAOYSA-N 1 2 341.459 2.157 10 10 EECELO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)O1 ZINC001297408260 1329969721 /nfs/dbraw/zinc/96/97/21/1329969721.db2.gz YERUQFVXJOHGMZ-BETUJISGSA-N 1 2 347.419 2.030 10 10 EECELO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)O1 ZINC001297408260 1329969723 /nfs/dbraw/zinc/96/97/23/1329969723.db2.gz YERUQFVXJOHGMZ-BETUJISGSA-N 1 2 347.419 2.030 10 10 EECELO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc(Br)ccc1O ZINC000848069138 1338482517 /nfs/dbraw/zinc/48/25/17/1338482517.db2.gz QXANLQQLIQLVLH-VIFPVBQESA-N 1 2 338.205 2.373 10 10 EECELO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(Br)ccc1O ZINC000848069138 1338482520 /nfs/dbraw/zinc/48/25/20/1338482520.db2.gz QXANLQQLIQLVLH-VIFPVBQESA-N 1 2 338.205 2.373 10 10 EECELO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001587874100 1348873824 /nfs/dbraw/zinc/87/38/24/1348873824.db2.gz CGSIXHCHYHJHRM-AWEZNQCLSA-N 1 2 344.440 2.212 10 10 EECELO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001587874100 1348873828 /nfs/dbraw/zinc/87/38/28/1348873828.db2.gz CGSIXHCHYHJHRM-AWEZNQCLSA-N 1 2 344.440 2.212 10 10 EECELO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cc1F ZINC000820721721 786437817 /nfs/dbraw/zinc/43/78/17/786437817.db2.gz WKUMKKVXQJSHFY-ZIAGYGMSSA-N 1 2 344.390 2.010 10 10 EECELO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cc1F ZINC000820721721 786437821 /nfs/dbraw/zinc/43/78/21/786437821.db2.gz WKUMKKVXQJSHFY-ZIAGYGMSSA-N 1 2 344.390 2.010 10 10 EECELO O=C1OCC[C@H]2C[N@@H+](Cc3ccc(Br)cc3O)CCN12 ZINC000824949752 788369627 /nfs/dbraw/zinc/36/96/27/788369627.db2.gz PASPYJQLCJRWAH-LBPRGKRZSA-N 1 2 341.205 2.181 10 10 EECELO Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c(C)n1-c1ccccn1 ZINC000804334201 803919975 /nfs/dbraw/zinc/91/99/75/803919975.db2.gz BDRDPMLDCBQEIH-OAHLLOKOSA-N 1 2 335.411 2.430 10 10 EECELO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293973591 464429100 /nfs/dbraw/zinc/42/91/00/464429100.db2.gz QTXYGOGOWTYDRT-SNVBAGLBSA-N 1 2 335.828 2.441 10 10 EECELO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293973591 464429103 /nfs/dbraw/zinc/42/91/03/464429103.db2.gz QTXYGOGOWTYDRT-SNVBAGLBSA-N 1 2 335.828 2.441 10 10 EECELO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000611650493 469298047 /nfs/dbraw/zinc/29/80/47/469298047.db2.gz OTDGHLUSHKWJGI-LBPRGKRZSA-N 1 2 326.400 2.006 10 10 EECELO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000611650493 469298052 /nfs/dbraw/zinc/29/80/52/469298052.db2.gz OTDGHLUSHKWJGI-LBPRGKRZSA-N 1 2 326.400 2.006 10 10 EECELO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1c[nH+]cn1C ZINC001687377173 1181124181 /nfs/dbraw/zinc/12/41/81/1181124181.db2.gz JPBUFEPUWIBERE-UHFFFAOYSA-N 1 2 327.432 2.362 10 10 EECELO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000825709740 1198769557 /nfs/dbraw/zinc/76/95/57/1198769557.db2.gz AMSTVAGOZSPJGZ-FBIMIBRVSA-N 1 2 328.206 2.442 10 10 EECELO COc1c(C)[nH]cc(C[N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)c1=O ZINC000931325652 1297141354 /nfs/dbraw/zinc/14/13/54/1297141354.db2.gz NAAKXRCSBVUGCR-UHFFFAOYSA-N 1 2 348.374 2.371 10 10 EECELO COc1c(C)[nH]cc(C[N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)c1=O ZINC000931325652 1297141356 /nfs/dbraw/zinc/14/13/56/1297141356.db2.gz NAAKXRCSBVUGCR-UHFFFAOYSA-N 1 2 348.374 2.371 10 10 EECELO Cn1cnc(CCC[NH2+]Cc2cccc(Br)c2O)n1 ZINC000842737833 1315765160 /nfs/dbraw/zinc/76/51/60/1315765160.db2.gz SWTOLBKSNZISSN-UHFFFAOYSA-N 1 2 325.210 2.006 10 10 EECELO C[NH+](C)CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000922629899 801547194 /nfs/dbraw/zinc/54/71/94/801547194.db2.gz AXXBJJLAQKQSOX-INIZCTEOSA-N 1 2 330.388 2.478 10 10 EECELO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294850476 464624309 /nfs/dbraw/zinc/62/43/09/464624309.db2.gz ISBHUUQRHCUTDR-OAHLLOKOSA-N 1 2 342.798 2.008 10 10 EECELO CN(Cc1ccccc1O)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000368825644 466700293 /nfs/dbraw/zinc/70/02/93/466700293.db2.gz XXAVDKSNMWIQNM-UHFFFAOYSA-N 1 2 337.383 2.315 10 10 EECELO CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cccc(Cl)c1O ZINC000903363170 1240312457 /nfs/dbraw/zinc/31/24/57/1240312457.db2.gz MEXWVCNQWYZIKP-HIFRSBDPSA-N 1 2 347.864 2.290 10 10 EECELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000361997596 466471723 /nfs/dbraw/zinc/47/17/23/466471723.db2.gz ORBCOEGHKBRUHH-AWEZNQCLSA-N 1 2 345.399 2.045 10 10 EECELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000361997596 466471729 /nfs/dbraw/zinc/47/17/29/466471729.db2.gz ORBCOEGHKBRUHH-AWEZNQCLSA-N 1 2 345.399 2.045 10 10 EECELO C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)c1ccc(N(C)C)cc1 ZINC000773014999 577310403 /nfs/dbraw/zinc/31/04/03/577310403.db2.gz MQJVIEWRPMMEHL-HNNXBMFYSA-N 1 2 331.460 2.185 10 10 EECELO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724544625 678386101 /nfs/dbraw/zinc/38/61/01/678386101.db2.gz MATUQGUJNADRFF-CDMKHQONSA-N 1 2 346.196 2.187 10 10 EECELO OC[C@@H]1CCCCN1c1cc(N2Cc3cccc(O)c3C2)nc[nH+]1 ZINC000866117294 1201438537 /nfs/dbraw/zinc/43/85/37/1201438537.db2.gz KGHJTGSTNIZVSP-AWEZNQCLSA-N 1 2 326.400 2.054 10 10 EECELO OC[C@@H]1CCCCN1c1cc(N2Cc3cccc(O)c3C2)[nH+]cn1 ZINC000866117294 1201438541 /nfs/dbraw/zinc/43/85/41/1201438541.db2.gz KGHJTGSTNIZVSP-AWEZNQCLSA-N 1 2 326.400 2.054 10 10 EECELO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCc1cc(O)ccc1O ZINC001644753717 1352768048 /nfs/dbraw/zinc/76/80/48/1352768048.db2.gz GUYCJCUDOKAVEJ-UHFFFAOYSA-N 1 2 337.379 2.202 10 10 EECELO Cn1cc(C[N@@H+]2CCCN(Cc3cc(Cl)ccc3O)CC2)cn1 ZINC000121564982 463158899 /nfs/dbraw/zinc/15/88/99/463158899.db2.gz QOCBIRJWANQKSW-UHFFFAOYSA-N 1 2 334.851 2.487 10 10 EECELO Cn1cc(C[N@H+]2CCCN(Cc3cc(Cl)ccc3O)CC2)cn1 ZINC000121564982 463158906 /nfs/dbraw/zinc/15/89/06/463158906.db2.gz QOCBIRJWANQKSW-UHFFFAOYSA-N 1 2 334.851 2.487 10 10 EECELO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Br)cc(F)c1O ZINC000185974028 463915731 /nfs/dbraw/zinc/91/57/31/463915731.db2.gz GZQCSIRMGMRWJK-ONGXEEELSA-N 1 2 347.228 2.275 10 10 EECELO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279645457 464117649 /nfs/dbraw/zinc/11/76/49/464117649.db2.gz MFLUYGPIWQETSE-CQSZACIVSA-N 1 2 329.366 2.482 10 10 EECELO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279645457 464117652 /nfs/dbraw/zinc/11/76/52/464117652.db2.gz MFLUYGPIWQETSE-CQSZACIVSA-N 1 2 329.366 2.482 10 10 EECELO O=C1OCC[C@@H]2C[N@H+](Cc3cc(Br)ccc3O)CCN12 ZINC000770386182 577595219 /nfs/dbraw/zinc/59/52/19/577595219.db2.gz MUGWOEMXHDSEIN-GFCCVEGCSA-N 1 2 341.205 2.181 10 10 EECELO O=C1OCC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)CCN12 ZINC000770386182 577595220 /nfs/dbraw/zinc/59/52/20/577595220.db2.gz MUGWOEMXHDSEIN-GFCCVEGCSA-N 1 2 341.205 2.181 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000750049015 577986229 /nfs/dbraw/zinc/98/62/29/577986229.db2.gz RCWXVZKQWRFUEF-NSHDSACASA-N 1 2 345.848 2.115 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000750049015 577986230 /nfs/dbraw/zinc/98/62/30/577986230.db2.gz RCWXVZKQWRFUEF-NSHDSACASA-N 1 2 345.848 2.115 10 10 EECELO CCn1ncc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000858205100 1294044245 /nfs/dbraw/zinc/04/42/45/1294044245.db2.gz QMAMHNLMZMUZPA-UHFFFAOYSA-N 1 2 344.419 2.486 10 10 EECELO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1O ZINC000842163963 1315670827 /nfs/dbraw/zinc/67/08/27/1315670827.db2.gz TUEFICGWNPCSNH-VXGBXAGGSA-N 1 2 340.851 2.135 10 10 EECELO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1O ZINC000842163963 1315670830 /nfs/dbraw/zinc/67/08/30/1315670830.db2.gz TUEFICGWNPCSNH-VXGBXAGGSA-N 1 2 340.851 2.135 10 10 EECELO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](COc3ccccc3)C1)OCO2 ZINC000790460161 808729315 /nfs/dbraw/zinc/72/93/15/808729315.db2.gz ODYTYNDIIVEDCY-INIZCTEOSA-N 1 2 343.379 2.401 10 10 EECELO Oc1cc2c(cc1C[N@H+]1CCO[C@H](COc3ccccc3)C1)OCO2 ZINC000790460161 808729317 /nfs/dbraw/zinc/72/93/17/808729317.db2.gz ODYTYNDIIVEDCY-INIZCTEOSA-N 1 2 343.379 2.401 10 10 EECELO C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cc([N+](=O)[O-])ccc1O ZINC000284310325 464145555 /nfs/dbraw/zinc/14/55/55/464145555.db2.gz LGWGUJGQUVDRQW-RWSFTLGLSA-N 1 2 326.393 2.109 10 10 EECELO O=S(=O)([C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1)N1CCCC1 ZINC000180756183 464387561 /nfs/dbraw/zinc/38/75/61/464387561.db2.gz IXMWPLCZSCYBOE-CYBMUJFWSA-N 1 2 344.864 2.046 10 10 EECELO O=S(=O)([C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1)N1CCCC1 ZINC000180756183 464387563 /nfs/dbraw/zinc/38/75/63/464387563.db2.gz IXMWPLCZSCYBOE-CYBMUJFWSA-N 1 2 344.864 2.046 10 10 EECELO CCOc1cccc(C[N@@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)c1O ZINC000248948665 464822670 /nfs/dbraw/zinc/82/26/70/464822670.db2.gz JQPWPSZZUKXUKK-KGLIPLIRSA-N 1 2 333.388 2.444 10 10 EECELO CCOc1cccc(C[N@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)c1O ZINC000248948665 464822676 /nfs/dbraw/zinc/82/26/76/464822676.db2.gz JQPWPSZZUKXUKK-KGLIPLIRSA-N 1 2 333.388 2.444 10 10 EECELO Cc1cc(C(=O)C[N@H+](CCO)CCCO)c(C)n1-c1ccc(F)cc1 ZINC000267475272 464935452 /nfs/dbraw/zinc/93/54/52/464935452.db2.gz ZCHZIVWKVBLJQV-UHFFFAOYSA-N 1 2 348.418 2.093 10 10 EECELO Cc1cc(C(=O)C[N@@H+](CCO)CCCO)c(C)n1-c1ccc(F)cc1 ZINC000267475272 464935453 /nfs/dbraw/zinc/93/54/53/464935453.db2.gz ZCHZIVWKVBLJQV-UHFFFAOYSA-N 1 2 348.418 2.093 10 10 EECELO O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000377053481 467010558 /nfs/dbraw/zinc/01/05/58/467010558.db2.gz SZKMBTZDXNCHKZ-UHFFFAOYSA-N 1 2 344.864 2.046 10 10 EECELO O=S(=O)(C1CC1)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000377053481 467010562 /nfs/dbraw/zinc/01/05/62/467010562.db2.gz SZKMBTZDXNCHKZ-UHFFFAOYSA-N 1 2 344.864 2.046 10 10 EECELO Cc1cnc(C[NH2+][C@H](C)CNC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001491689735 1330207127 /nfs/dbraw/zinc/20/71/27/1330207127.db2.gz FMOWURLZEDHAAR-SNVBAGLBSA-N 1 2 344.375 2.054 10 10 EECELO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001596358827 1349906007 /nfs/dbraw/zinc/90/60/07/1349906007.db2.gz KHDCZYCQNSHEAJ-UHFFFAOYSA-N 1 2 330.457 2.130 10 10 EECELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)ccc1N1CCCCC1 ZINC000846102093 790062564 /nfs/dbraw/zinc/06/25/64/790062564.db2.gz CGZPILDBGWKBBL-ZEUIUJOJSA-N 1 2 349.456 2.290 10 10 EECELO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)ccc1N1CCCCC1 ZINC000846102093 790062568 /nfs/dbraw/zinc/06/25/68/790062568.db2.gz CGZPILDBGWKBBL-ZEUIUJOJSA-N 1 2 349.456 2.290 10 10 EECELO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1c(F)ccc(O)c1O ZINC001472574961 1110559526 /nfs/dbraw/zinc/55/95/26/1110559526.db2.gz CSJQPGSKZMVEGO-UHFFFAOYSA-N 1 2 341.342 2.412 10 10 EECELO CCN(CC)c1ccc(CNc2nc3c(cnn3C)c(N)[nH+]2)cc1 ZINC000278433566 463964717 /nfs/dbraw/zinc/96/47/17/463964717.db2.gz PXPRXJYBDXYQHR-UHFFFAOYSA-N 1 2 325.420 2.404 10 10 EECELO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC000775723472 577443842 /nfs/dbraw/zinc/44/38/42/577443842.db2.gz ICROPEOJAHIBPK-UHFFFAOYSA-N 1 2 337.782 2.320 10 10 EECELO CCn1nc2c(cc1=O)C[N@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC000775723472 577443843 /nfs/dbraw/zinc/44/38/43/577443843.db2.gz ICROPEOJAHIBPK-UHFFFAOYSA-N 1 2 337.782 2.320 10 10 EECELO C[C@@H]([NH2+]Cc1cn(C)nn1)c1cc(Br)cc(F)c1O ZINC000757657972 577862022 /nfs/dbraw/zinc/86/20/22/577862022.db2.gz SUABAEPOSKPANE-SSDOTTSWSA-N 1 2 329.173 2.273 10 10 EECELO Cc1nc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)nc(N)[nH+]1 ZINC000865452245 1198225708 /nfs/dbraw/zinc/22/57/08/1198225708.db2.gz FRLTYOALKDUVPD-PHIMTYICSA-N 1 2 346.410 2.127 10 10 EECELO Cc1nc(N)nc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)[nH+]1 ZINC000865452245 1198225715 /nfs/dbraw/zinc/22/57/15/1198225715.db2.gz FRLTYOALKDUVPD-PHIMTYICSA-N 1 2 346.410 2.127 10 10 EECELO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)c1O ZINC000933671795 1207811325 /nfs/dbraw/zinc/81/13/25/1207811325.db2.gz QFVAJMJJHYUEAR-BBRMVZONSA-N 1 2 337.391 2.361 10 10 EECELO CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)c1O ZINC000933671795 1207811328 /nfs/dbraw/zinc/81/13/28/1207811328.db2.gz QFVAJMJJHYUEAR-BBRMVZONSA-N 1 2 337.391 2.361 10 10 EECELO COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)cc1 ZINC000855223345 1293116279 /nfs/dbraw/zinc/11/62/79/1293116279.db2.gz GQCAIMBAULLGMD-HUUCEWRRSA-N 1 2 328.416 2.238 10 10 EECELO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)cc(F)c1O ZINC000858522679 1294142390 /nfs/dbraw/zinc/14/23/90/1294142390.db2.gz HMPLWHOZHRTRMV-GXSJLCMTSA-N 1 2 347.228 2.275 10 10 EECELO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1O ZINC000177129672 464939485 /nfs/dbraw/zinc/93/94/85/464939485.db2.gz HOOZBWQBHAEWIX-NWDGAFQWSA-N 1 2 340.851 2.135 10 10 EECELO CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1O ZINC000177129672 464939487 /nfs/dbraw/zinc/93/94/87/464939487.db2.gz HOOZBWQBHAEWIX-NWDGAFQWSA-N 1 2 340.851 2.135 10 10 EECELO C[C@@H]([NH2+]Cc1cn(C)nn1)c1cc(Br)c(F)cc1O ZINC000757654253 577861862 /nfs/dbraw/zinc/86/18/62/577861862.db2.gz DGZQDTSRBLMOFF-SSDOTTSWSA-N 1 2 329.173 2.273 10 10 EECELO COc1c(O)c(C[N@@H+]2CCO[C@H](C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000872257750 1198115270 /nfs/dbraw/zinc/11/52/70/1198115270.db2.gz VWCXJNFASXGOSJ-NSHDSACASA-N 1 2 332.303 2.165 10 10 EECELO COc1c(O)c(C[N@H+]2CCO[C@H](C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000872257750 1198115275 /nfs/dbraw/zinc/11/52/75/1198115275.db2.gz VWCXJNFASXGOSJ-NSHDSACASA-N 1 2 332.303 2.165 10 10 EECELO CS(=O)(=O)CC1(CC[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000826833656 1248087804 /nfs/dbraw/zinc/08/78/04/1248087804.db2.gz GWQHEGJPTGYSJC-UHFFFAOYSA-N 1 2 335.828 2.489 10 10 EECELO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)c(F)cc1O ZINC000850546323 1277262526 /nfs/dbraw/zinc/26/25/26/1277262526.db2.gz HYGCKTUNLCXULV-SFYZADRCSA-N 1 2 331.185 2.223 10 10 EECELO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC001673463715 1356692986 /nfs/dbraw/zinc/69/29/86/1356692986.db2.gz DROXMDRIYUQSLB-UHFFFAOYSA-N 1 2 341.459 2.404 10 10 EECELO Oc1cc(Br)ccc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000824657579 788258946 /nfs/dbraw/zinc/25/89/46/788258946.db2.gz QXJZWOXJBALLDS-UHFFFAOYSA-N 1 2 349.232 2.267 10 10 EECELO CCOC(=O)C1(O)CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792166397 809630229 /nfs/dbraw/zinc/63/02/29/809630229.db2.gz QNDWNOVROVZRGL-UHFFFAOYSA-N 1 2 331.771 2.075 10 10 EECELO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Br)cc(F)c1O ZINC000185974044 463915553 /nfs/dbraw/zinc/91/55/53/463915553.db2.gz GZQCSIRMGMRWJK-KOLCDFICSA-N 1 2 347.228 2.275 10 10 EECELO CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)c(O)c1 ZINC000180115309 464245822 /nfs/dbraw/zinc/24/58/22/464245822.db2.gz HJFZDELWMYHWJA-MRXNPFEDSA-N 1 2 332.404 2.181 10 10 EECELO CCCOc1ccc(C[N@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)c(O)c1 ZINC000180115309 464245829 /nfs/dbraw/zinc/24/58/29/464245829.db2.gz HJFZDELWMYHWJA-MRXNPFEDSA-N 1 2 332.404 2.181 10 10 EECELO CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)c(O)c1 ZINC000180115309 464245833 /nfs/dbraw/zinc/24/58/33/464245833.db2.gz HJFZDELWMYHWJA-MRXNPFEDSA-N 1 2 332.404 2.181 10 10 EECELO CCCOc1ccc(C[N@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)c(O)c1 ZINC000180115309 464245840 /nfs/dbraw/zinc/24/58/40/464245840.db2.gz HJFZDELWMYHWJA-MRXNPFEDSA-N 1 2 332.404 2.181 10 10 EECELO Cc1cc(Br)cc(C[N@@H+]2CCCn3nncc3C2)c1O ZINC000895755663 684712378 /nfs/dbraw/zinc/71/23/78/684712378.db2.gz KTNFYMXRKWOFDY-UHFFFAOYSA-N 1 2 337.221 2.461 10 10 EECELO Cc1cc(Br)cc(C[N@H+]2CCCn3nncc3C2)c1O ZINC000895755663 684712383 /nfs/dbraw/zinc/71/23/83/684712383.db2.gz KTNFYMXRKWOFDY-UHFFFAOYSA-N 1 2 337.221 2.461 10 10 EECELO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc2cc(O)c(O)cc2s1 ZINC000897729848 691772877 /nfs/dbraw/zinc/77/28/77/691772877.db2.gz GKBPBZQSXWOFNM-SNVBAGLBSA-N 1 2 329.381 2.254 10 10 EECELO COc1cccc(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)c1O ZINC001631539987 1352586242 /nfs/dbraw/zinc/58/62/42/1352586242.db2.gz IMDRINLRGHEGBE-UHFFFAOYSA-N 1 2 337.379 2.445 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)Cn3nc(C)cc3C)CC2)cc1 ZINC000069518394 463265953 /nfs/dbraw/zinc/26/59/53/463265953.db2.gz NJFMDHBKDNOKLZ-UHFFFAOYSA-N 1 2 342.443 2.294 10 10 EECELO COc1ccc2c(c1)[C@]1(C)CN(C3CCCCC3)C(=O)[C@]1([NH3+])N2C ZINC000032106190 463365337 /nfs/dbraw/zinc/36/53/37/463365337.db2.gz FDSAOMXHFZKROP-OALUTQOASA-N 1 2 329.444 2.233 10 10 EECELO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000125736616 463574061 /nfs/dbraw/zinc/57/40/61/463574061.db2.gz AITJNZOHOINEMJ-ROUUACIJSA-N 1 2 332.444 2.439 10 10 EECELO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000125736616 463574066 /nfs/dbraw/zinc/57/40/66/463574066.db2.gz AITJNZOHOINEMJ-ROUUACIJSA-N 1 2 332.444 2.439 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC000185214742 463779923 /nfs/dbraw/zinc/77/99/23/463779923.db2.gz XCRCPGJAIVTUDI-MRXNPFEDSA-N 1 2 325.792 2.240 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC000185214742 463779928 /nfs/dbraw/zinc/77/99/28/463779928.db2.gz XCRCPGJAIVTUDI-MRXNPFEDSA-N 1 2 325.792 2.240 10 10 EECELO CC(=O)N1CC[N@H+](Cc2cc(Br)ccc2O)[C@H](C)C1 ZINC000271155171 464283792 /nfs/dbraw/zinc/28/37/92/464283792.db2.gz BCLKPSSPZXZZFK-SNVBAGLBSA-N 1 2 327.222 2.207 10 10 EECELO CC(=O)N1CC[N@@H+](Cc2cc(Br)ccc2O)[C@H](C)C1 ZINC000271155171 464283799 /nfs/dbraw/zinc/28/37/99/464283799.db2.gz BCLKPSSPZXZZFK-SNVBAGLBSA-N 1 2 327.222 2.207 10 10 EECELO CCn1ncc(C[NH2+]Cc2cc(C)cc(Br)c2O)n1 ZINC000527733758 467664333 /nfs/dbraw/zinc/66/43/33/467664333.db2.gz FLHICBHKBSUTCZ-UHFFFAOYSA-N 1 2 325.210 2.364 10 10 EECELO Cc1cn2c([nH+]1)CN(C(=O)NCc1ccc(N(C)C)c(F)c1)CC2 ZINC000371703713 534505984 /nfs/dbraw/zinc/50/59/84/534505984.db2.gz ORMLLPCTDUMRDN-UHFFFAOYSA-N 1 2 331.395 2.122 10 10 EECELO OCC[C@@H]1CSCC[N@@H+]1Cc1cccc(Br)c1O ZINC000770305748 577593699 /nfs/dbraw/zinc/59/36/99/577593699.db2.gz SOMJZMWTOQZAMM-LLVKDONJSA-N 1 2 332.263 2.455 10 10 EECELO OCC[C@@H]1CSCC[N@H+]1Cc1cccc(Br)c1O ZINC000770305748 577593700 /nfs/dbraw/zinc/59/37/00/577593700.db2.gz SOMJZMWTOQZAMM-LLVKDONJSA-N 1 2 332.263 2.455 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)N[C@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000763629375 577723624 /nfs/dbraw/zinc/72/36/24/577723624.db2.gz WZAGUUZMAKMTIR-KSSFIOAISA-N 1 2 347.459 2.388 10 10 EECELO COc1ccnc(N2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000129589132 1201850209 /nfs/dbraw/zinc/85/02/09/1201850209.db2.gz XRITUNCXOCIHHW-UHFFFAOYSA-N 1 2 345.422 2.013 10 10 EECELO COc1ccc(N2CC[C@H](NC(=O)CCCn3cc[nH+]c3)C2)cc1 ZINC000855229920 1293120862 /nfs/dbraw/zinc/12/08/62/1293120862.db2.gz CWJSRYDOVWJXRZ-HNNXBMFYSA-N 1 2 328.416 2.067 10 10 EECELO COc1c(O)c(C[N@@H+]2CCO[C@@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000843418106 1315911544 /nfs/dbraw/zinc/91/15/44/1315911544.db2.gz QJWODWPCOHKLCZ-HNNXBMFYSA-N 1 2 340.401 2.017 10 10 EECELO COc1c(O)c(C[N@H+]2CCO[C@@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000843418106 1315911546 /nfs/dbraw/zinc/91/15/46/1315911546.db2.gz QJWODWPCOHKLCZ-HNNXBMFYSA-N 1 2 340.401 2.017 10 10 EECELO Cn1cccc1[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001334784230 1336296719 /nfs/dbraw/zinc/29/67/19/1336296719.db2.gz LPGJLDPOPCHUPW-FQEVSTJZSA-N 1 2 341.455 2.435 10 10 EECELO Cn1cccc1[C@@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001334784230 1336296723 /nfs/dbraw/zinc/29/67/23/1336296723.db2.gz LPGJLDPOPCHUPW-FQEVSTJZSA-N 1 2 341.455 2.435 10 10 EECELO Oc1c(Br)cc(Cl)cc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000708193792 786763972 /nfs/dbraw/zinc/76/39/72/786763972.db2.gz WUKYNCIPSBPCLV-MNOVXSKESA-N 1 2 336.613 2.048 10 10 EECELO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c(C(F)(F)F)c1 ZINC000846103764 790063291 /nfs/dbraw/zinc/06/32/91/790063291.db2.gz XESOWIQMBSGMCV-MZFXBISCSA-N 1 2 332.391 2.477 10 10 EECELO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c(C(F)(F)F)c1 ZINC000846103764 790063297 /nfs/dbraw/zinc/06/32/97/790063297.db2.gz XESOWIQMBSGMCV-MZFXBISCSA-N 1 2 332.391 2.477 10 10 EECELO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Br)cc(F)c1O ZINC000846192174 790085867 /nfs/dbraw/zinc/08/58/67/790085867.db2.gz FTGXLJYOSPMORI-XPTSAGLGSA-N 1 2 348.212 2.486 10 10 EECELO CN1CCCc2cc(CNC(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)ccc21 ZINC000378100454 530065850 /nfs/dbraw/zinc/06/58/50/530065850.db2.gz PGTFPHZGOODHQB-OAHLLOKOSA-N 1 2 339.443 2.149 10 10 EECELO CN1CCCc2cc(CNC(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)ccc21 ZINC000378100454 530065851 /nfs/dbraw/zinc/06/58/51/530065851.db2.gz PGTFPHZGOODHQB-OAHLLOKOSA-N 1 2 339.443 2.149 10 10 EECELO Cc1cn2c([nH+]1)CN(C(=O)NCc1ccc(N3CC=CC3)cc1)CC2 ZINC000373306036 466760890 /nfs/dbraw/zinc/76/08/90/466760890.db2.gz VZFMEENRZNZZOH-UHFFFAOYSA-N 1 2 337.427 2.293 10 10 EECELO COc1ccc(N2CC[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)cc1 ZINC000898580952 693382423 /nfs/dbraw/zinc/38/24/23/693382423.db2.gz QHHUIRREPPCHTQ-HNNXBMFYSA-N 1 2 342.443 2.330 10 10 EECELO COc1nnc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000930211332 1206541715 /nfs/dbraw/zinc/54/17/15/1206541715.db2.gz SWXGFZZPYOJQSR-LBPRGKRZSA-N 1 2 334.445 2.234 10 10 EECELO O=C1OCC[C@H]2C[N@H+](Cc3c(O)cccc3Br)CCN12 ZINC000862252251 1295772623 /nfs/dbraw/zinc/77/26/23/1295772623.db2.gz DNEUBGZQIHQWTL-JTQLQIEISA-N 1 2 341.205 2.181 10 10 EECELO COc1ccc(N2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)cc1 ZINC001331343314 1334999991 /nfs/dbraw/zinc/99/99/91/1334999991.db2.gz FSFGPJLFNCNWSE-UHFFFAOYSA-N 1 2 342.443 2.435 10 10 EECELO CN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC001626310130 1352459678 /nfs/dbraw/zinc/45/96/78/1352459678.db2.gz XPOQKPUNZNNYSO-UHFFFAOYSA-N 1 2 347.419 2.032 10 10 EECELO O=S1(=O)CCC[C@H]([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000694814346 761973432 /nfs/dbraw/zinc/97/34/32/761973432.db2.gz RBOXYLWJMWFYGU-NSHDSACASA-N 1 2 348.262 2.212 10 10 EECELO COCCOCCN1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000846117405 790055903 /nfs/dbraw/zinc/05/59/03/790055903.db2.gz POODOAGFXSLWHO-SNAWJCMRSA-N 1 2 347.503 2.046 10 10 EECELO CN1CCO[C@H](C[N@H+](C)Cc2cc(Br)cc(F)c2O)C1 ZINC000715788083 795503479 /nfs/dbraw/zinc/50/34/79/795503479.db2.gz XYRDEAHUYSNFEA-LBPRGKRZSA-N 1 2 347.228 2.056 10 10 EECELO CN1CCO[C@H](C[N@@H+](C)Cc2cc(Br)cc(F)c2O)C1 ZINC000715788083 795503483 /nfs/dbraw/zinc/50/34/83/795503483.db2.gz XYRDEAHUYSNFEA-LBPRGKRZSA-N 1 2 347.228 2.056 10 10 EECELO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC001466151104 1110430873 /nfs/dbraw/zinc/43/08/73/1110430873.db2.gz 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ZINC000111165120 534736949 /nfs/dbraw/zinc/73/69/49/534736949.db2.gz MJWALDMLMMZFMU-UHFFFAOYSA-N 1 2 347.440 2.204 10 10 EECELO CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C(N)=O ZINC000708155627 568417138 /nfs/dbraw/zinc/41/71/38/568417138.db2.gz DBLNQWMYPNAKPF-JTQLQIEISA-N 1 2 335.629 2.408 10 10 EECELO Cc1nc(N(C)C)nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000768522349 577557672 /nfs/dbraw/zinc/55/76/72/577557672.db2.gz LYEZJPPUEGGYNW-CYBMUJFWSA-N 1 2 342.447 2.256 10 10 EECELO Cc1nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc(N(C)C)[nH+]1 ZINC000768522349 577557673 /nfs/dbraw/zinc/55/76/73/577557673.db2.gz LYEZJPPUEGGYNW-CYBMUJFWSA-N 1 2 342.447 2.256 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)N[C@@H](C)c3cn[nH]c3)CC2)cc1 ZINC000757071248 577856048 /nfs/dbraw/zinc/85/60/48/577856048.db2.gz GETFLDUCKSPCOB-ZDUSSCGKSA-N 1 2 343.431 2.448 10 10 EECELO CC[N@H+](CCO)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000746455235 577927985 /nfs/dbraw/zinc/92/79/85/577927985.db2.gz OFHFDBFGDWBBKC-UHFFFAOYSA-N 1 2 344.411 2.320 10 10 EECELO CC[N@@H+](CCO)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000746455235 577927986 /nfs/dbraw/zinc/92/79/86/577927986.db2.gz OFHFDBFGDWBBKC-UHFFFAOYSA-N 1 2 344.411 2.320 10 10 EECELO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000176342018 677837578 /nfs/dbraw/zinc/83/75/78/677837578.db2.gz XUHCATUWRTUQIT-QGZVFWFLSA-N 1 2 327.432 2.323 10 10 EECELO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)C2N=NC(=O)N2C)c1 ZINC000895178698 684226962 /nfs/dbraw/zinc/22/69/62/684226962.db2.gz XJSKEJBSBCQEHE-MRVPVSSYSA-N 1 2 341.209 2.148 10 10 EECELO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000873862604 1198722965 /nfs/dbraw/zinc/72/29/65/1198722965.db2.gz UKAKDADTTVSFKS-IAGOWNOFSA-N 1 2 340.427 2.008 10 10 EECELO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000873862604 1198722970 /nfs/dbraw/zinc/72/29/70/1198722970.db2.gz UKAKDADTTVSFKS-IAGOWNOFSA-N 1 2 340.427 2.008 10 10 EECELO Cc1cc(C(=O)C[N@H+](C)CCCO)c(C)n1-c1ccc2c(c1)OCO2 ZINC000799364292 1305237602 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10 10 EECELO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(F)c(F)c1O ZINC000191204068 289982469 /nfs/dbraw/zinc/98/24/69/289982469.db2.gz JCOVVNRZXKQNBK-JTQLQIEISA-N 1 2 331.326 2.497 10 10 EECELO COCC[N@@H+]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C ZINC000177130717 680055043 /nfs/dbraw/zinc/05/50/43/680055043.db2.gz DFHJQHNGDIMAQD-LBPRGKRZSA-N 1 2 340.851 2.401 10 10 EECELO COCC[N@H+]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C ZINC000177130717 680055049 /nfs/dbraw/zinc/05/50/49/680055049.db2.gz DFHJQHNGDIMAQD-LBPRGKRZSA-N 1 2 340.851 2.401 10 10 EECELO Cc1cn(C(C)(C)C(=O)N2CCOc3cc(N(C)C)ccc32)c[nH+]1 ZINC000900894637 1234968451 /nfs/dbraw/zinc/96/84/51/1234968451.db2.gz GJRBVIFALWFZPF-UHFFFAOYSA-N 1 2 328.416 2.418 10 10 EECELO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC001117756365 1306162820 /nfs/dbraw/zinc/16/28/20/1306162820.db2.gz BSHXKWOAHXXBGR-KRWDZBQOSA-N 1 2 343.402 2.268 10 10 EECELO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC001117756365 1306162827 /nfs/dbraw/zinc/16/28/27/1306162827.db2.gz BSHXKWOAHXXBGR-KRWDZBQOSA-N 1 2 343.402 2.268 10 10 EECELO C/C(=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCOCC1 ZINC000907493350 784674415 /nfs/dbraw/zinc/67/44/15/784674415.db2.gz QTSJVPRLFMQYHH-UGEDRFTOSA-N 1 2 331.460 2.208 10 10 EECELO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(Br)cc1O ZINC000825478478 788665289 /nfs/dbraw/zinc/66/52/89/788665289.db2.gz BZPZMPQSXCRRHH-UHFFFAOYSA-N 1 2 325.210 2.305 10 10 EECELO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(Br)cc1O ZINC000825478478 788665293 /nfs/dbraw/zinc/66/52/93/788665293.db2.gz BZPZMPQSXCRRHH-UHFFFAOYSA-N 1 2 325.210 2.305 10 10 EECELO CN1CCO[C@@H](C[N@H+](C)Cc2cc(Br)cc(F)c2O)C1 ZINC000715788082 795503218 /nfs/dbraw/zinc/50/32/18/795503218.db2.gz XYRDEAHUYSNFEA-GFCCVEGCSA-N 1 2 347.228 2.056 10 10 EECELO CN1CCO[C@@H](C[N@@H+](C)Cc2cc(Br)cc(F)c2O)C1 ZINC000715788082 795503220 /nfs/dbraw/zinc/50/32/20/795503220.db2.gz XYRDEAHUYSNFEA-GFCCVEGCSA-N 1 2 347.228 2.056 10 10 EECELO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378076028 238290185 /nfs/dbraw/zinc/29/01/85/238290185.db2.gz XEWFVHXTQAJTBD-CYBMUJFWSA-N 1 2 340.427 2.351 10 10 EECELO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378076028 238290195 /nfs/dbraw/zinc/29/01/95/238290195.db2.gz XEWFVHXTQAJTBD-CYBMUJFWSA-N 1 2 340.427 2.351 10 10 EECELO CN(C)c1ccc(C[N@@H+](Cc2nnnn2C2CC2)CC2CC2)cc1 ZINC000065534551 462792453 /nfs/dbraw/zinc/79/24/53/462792453.db2.gz JARCCUIXKKVWPV-UHFFFAOYSA-N 1 2 326.448 2.486 10 10 EECELO CN(C)c1ccc(C[N@H+](Cc2nnnn2C2CC2)CC2CC2)cc1 ZINC000065534551 462792458 /nfs/dbraw/zinc/79/24/58/462792458.db2.gz JARCCUIXKKVWPV-UHFFFAOYSA-N 1 2 326.448 2.486 10 10 EECELO COC(=O)CC1([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000895134620 684076379 /nfs/dbraw/zinc/07/63/79/684076379.db2.gz IOTVFJCLAJFQED-UHFFFAOYSA-N 1 2 332.169 2.479 10 10 EECELO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C(F)C(F)(F)F)cc1C ZINC001266940741 1177852673 /nfs/dbraw/zinc/85/26/73/1177852673.db2.gz KCOUEFYFQLNZQM-GXFFZTMASA-N 1 2 336.329 2.498 10 10 EECELO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F)cc1C ZINC001266940741 1177852681 /nfs/dbraw/zinc/85/26/81/1177852681.db2.gz KCOUEFYFQLNZQM-GXFFZTMASA-N 1 2 336.329 2.498 10 10 EECELO COC(=O)[C@H]([C@@H](C)O)[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000811509865 1200118183 /nfs/dbraw/zinc/11/81/83/1200118183.db2.gz IQGKNYJRBJQPCL-KDOFPFPSSA-N 1 2 329.396 2.317 10 10 EECELO COC(=O)[C@H]([C@@H](C)O)[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000811509865 1200118184 /nfs/dbraw/zinc/11/81/84/1200118184.db2.gz IQGKNYJRBJQPCL-KDOFPFPSSA-N 1 2 329.396 2.317 10 10 EECELO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000827488829 1248189308 /nfs/dbraw/zinc/18/93/08/1248189308.db2.gz MDHBRKVNDRCIAZ-SUOMESGTSA-N 1 2 332.444 2.420 10 10 EECELO COC[C@@]1(C(=O)OC)CCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000827488829 1248189315 /nfs/dbraw/zinc/18/93/15/1248189315.db2.gz MDHBRKVNDRCIAZ-SUOMESGTSA-N 1 2 332.444 2.420 10 10 EECELO Cc1cc(O)c(C[NH+]2CCN(c3nc(N)ns3)CC2)c(Cl)c1 ZINC000840919336 1315436004 /nfs/dbraw/zinc/43/60/04/1315436004.db2.gz CKBRFZOSVVUMHH-UHFFFAOYSA-N 1 2 339.852 2.110 10 10 EECELO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c(C)n1-c1ccccc1C ZINC001151358946 1316512640 /nfs/dbraw/zinc/51/26/40/1316512640.db2.gz KKNIYAIVJIMPNP-QGZVFWFLSA-N 1 2 341.455 2.151 10 10 EECELO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)c(C)n1-c1ccccc1C ZINC001151358946 1316512647 /nfs/dbraw/zinc/51/26/47/1316512647.db2.gz KKNIYAIVJIMPNP-QGZVFWFLSA-N 1 2 341.455 2.151 10 10 EECELO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)c(C)n1-c1ccccc1C ZINC001151358945 1316512887 /nfs/dbraw/zinc/51/28/87/1316512887.db2.gz KKNIYAIVJIMPNP-KRWDZBQOSA-N 1 2 341.455 2.151 10 10 EECELO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)c(C)n1-c1ccccc1C ZINC001151358945 1316512890 /nfs/dbraw/zinc/51/28/90/1316512890.db2.gz KKNIYAIVJIMPNP-KRWDZBQOSA-N 1 2 341.455 2.151 10 10 EECELO C[C@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1O ZINC001644183473 1352759236 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EECELO OCC[C@H]1CSCC[N@@H+]1Cc1cccc(Br)c1O ZINC000770305749 577593732 /nfs/dbraw/zinc/59/37/32/577593732.db2.gz SOMJZMWTOQZAMM-NSHDSACASA-N 1 2 332.263 2.455 10 10 EECELO OCC[C@H]1CSCC[N@H+]1Cc1cccc(Br)c1O ZINC000770305749 577593733 /nfs/dbraw/zinc/59/37/33/577593733.db2.gz SOMJZMWTOQZAMM-NSHDSACASA-N 1 2 332.263 2.455 10 10 EECELO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CC3(C2)CC(F)(F)C3)cc1 ZINC000761113612 577676880 /nfs/dbraw/zinc/67/68/80/577676880.db2.gz HGAQDKGFCDMBAS-UHFFFAOYSA-N 1 2 337.414 2.442 10 10 EECELO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]Cc1cc(OCC)ccc1O ZINC000763482213 577721773 /nfs/dbraw/zinc/72/17/73/577721773.db2.gz XDNSAOKDLFPQHB-QGZVFWFLSA-N 1 2 344.411 2.450 10 10 EECELO COc1cccc(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1O ZINC000185757802 684487307 /nfs/dbraw/zinc/48/73/07/684487307.db2.gz YQBFWZPCBYEQLV-UHFFFAOYSA-N 1 2 340.383 2.388 10 10 EECELO COC(=O)C1CC([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000895458152 684607019 /nfs/dbraw/zinc/60/70/19/684607019.db2.gz UFBGMFMKPKIMAR-UHFFFAOYSA-N 1 2 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/nfs/dbraw/zinc/73/64/48/789736448.db2.gz CFATWLSFWJFSFN-UHFFFAOYSA-N 1 2 338.455 2.461 10 10 EECELO Cc1ccc(N2C(=O)[C@H](C[NH+]3CCOCC3)SC2=S)c(C)c1 ZINC000020356995 202039475 /nfs/dbraw/zinc/03/94/75/202039475.db2.gz GVSNEVDYHQNVSO-AWEZNQCLSA-N 1 2 336.482 2.369 10 10 EECELO Cn1cc(CN2CCC[N@H+](Cc3cccc(Cl)c3O)CC2)cn1 ZINC000180111695 464244159 /nfs/dbraw/zinc/24/41/59/464244159.db2.gz PNGXAPVEWKGIJP-UHFFFAOYSA-N 1 2 334.851 2.487 10 10 EECELO Cn1cc(CN2CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)cn1 ZINC000180111695 464244164 /nfs/dbraw/zinc/24/41/64/464244164.db2.gz PNGXAPVEWKGIJP-UHFFFAOYSA-N 1 2 334.851 2.487 10 10 EECELO Oc1cc2c(cc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1)OCO2 ZINC000271238389 464288878 /nfs/dbraw/zinc/28/88/78/464288878.db2.gz BNHNOPGFADJSFK-ZFWWWQNUSA-N 1 2 347.367 2.038 10 10 EECELO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1)OCO2 ZINC000271238389 464288885 /nfs/dbraw/zinc/28/88/85/464288885.db2.gz BNHNOPGFADJSFK-ZFWWWQNUSA-N 1 2 347.367 2.038 10 10 EECELO CCOc1ccc(O)c(C[N@@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)c1 ZINC000248805741 464803841 /nfs/dbraw/zinc/80/38/41/464803841.db2.gz BBRUAYAINLPEGY-CABCVRRESA-N 1 2 333.388 2.444 10 10 EECELO CCOc1ccc(O)c(C[N@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)c1 ZINC000248805741 464803843 /nfs/dbraw/zinc/80/38/43/464803843.db2.gz BBRUAYAINLPEGY-CABCVRRESA-N 1 2 333.388 2.444 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)/C=C/c3cnccn3)CC2)cc1 ZINC000726561891 576274047 /nfs/dbraw/zinc/27/40/47/576274047.db2.gz XUUXFSUFVVJZJC-FARCUNLSSA-N 1 2 338.411 2.284 10 10 EECELO CNC(=O)CCOC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775736780 577444191 /nfs/dbraw/zinc/44/41/91/577444191.db2.gz JQSUOLVDYMPHRZ-UHFFFAOYSA-N 1 2 326.824 2.163 10 10 EECELO Cc1cn2cc(NC(=O)NCCc3ccc(O)c(O)c3)ccc2[nH+]1 ZINC000761642515 577687005 /nfs/dbraw/zinc/68/70/05/577687005.db2.gz PHVPCHWCUCTKJF-UHFFFAOYSA-N 1 2 326.356 2.418 10 10 EECELO Cc1cc(C(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)c(C)n1-c1ccccc1 ZINC000762924375 577711478 /nfs/dbraw/zinc/71/14/78/577711478.db2.gz CRPSRODKESGYPT-HNNXBMFYSA-N 1 2 340.427 2.019 10 10 EECELO Cc1cc(C(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)c(C)n1-c1ccccc1 ZINC000762924375 577711479 /nfs/dbraw/zinc/71/14/79/577711479.db2.gz CRPSRODKESGYPT-HNNXBMFYSA-N 1 2 340.427 2.019 10 10 EECELO COc1ccc(N(C)CC[N@H+](C)CN2Cc3cccnc3C2=O)cc1 ZINC000844726773 789330974 /nfs/dbraw/zinc/33/09/74/789330974.db2.gz WKNUCSLXEOKSLL-UHFFFAOYSA-N 1 2 340.427 2.072 10 10 EECELO COc1ccc(N(C)CC[N@@H+](C)CN2Cc3cccnc3C2=O)cc1 ZINC000844726773 789330983 /nfs/dbraw/zinc/33/09/83/789330983.db2.gz WKNUCSLXEOKSLL-UHFFFAOYSA-N 1 2 340.427 2.072 10 10 EECELO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000071792532 203113473 /nfs/dbraw/zinc/11/34/73/203113473.db2.gz LMJMXNLTDXSKMO-UHFFFAOYSA-N 1 2 342.399 2.450 10 10 EECELO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)CC2 ZINC000187794524 464162667 /nfs/dbraw/zinc/16/26/67/464162667.db2.gz BRPDGXBWVAHXAC-UWVGGRQHSA-N 1 2 338.358 2.074 10 10 EECELO C[NH+]1CCC(n2cc(NCc3cc([N+](=O)[O-])ccc3O)cn2)CC1 ZINC000865704416 1198338192 /nfs/dbraw/zinc/33/81/92/1198338192.db2.gz UVMJJPKWFMDKPP-UHFFFAOYSA-N 1 2 331.376 2.376 10 10 EECELO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000801736162 1236110703 /nfs/dbraw/zinc/11/07/03/1236110703.db2.gz XTPLDESBNCYGJT-NSHDSACASA-N 1 2 327.222 2.302 10 10 EECELO COc1ccc(N2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)cc1 ZINC000855229922 1293120974 /nfs/dbraw/zinc/12/09/74/1293120974.db2.gz CWJSRYDOVWJXRZ-OAHLLOKOSA-N 1 2 328.416 2.067 10 10 EECELO NC(=O)N=Nc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC001615600551 1352324706 /nfs/dbraw/zinc/32/47/06/1352324706.db2.gz OZCHFGXQUWBQTK-UHFFFAOYSA-N 1 2 325.328 2.147 10 10 EECELO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000846103044 790062669 /nfs/dbraw/zinc/06/26/69/790062669.db2.gz KTMRAFVLKHXNGE-FHGNATFXSA-N 1 2 330.247 2.168 10 10 EECELO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000846103044 790062677 /nfs/dbraw/zinc/06/26/77/790062677.db2.gz KTMRAFVLKHXNGE-FHGNATFXSA-N 1 2 330.247 2.168 10 10 EECELO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(C)n1-c1ccc(F)cc1 ZINC000194623887 463897433 /nfs/dbraw/zinc/89/74/33/463897433.db2.gz AKQOYBJNQPWOAK-KRWDZBQOSA-N 1 2 345.418 2.294 10 10 EECELO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccc(F)cc1 ZINC000194623887 463897437 /nfs/dbraw/zinc/89/74/37/463897437.db2.gz AKQOYBJNQPWOAK-KRWDZBQOSA-N 1 2 345.418 2.294 10 10 EECELO NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000895439576 684601236 /nfs/dbraw/zinc/60/12/36/684601236.db2.gz DHNDFWAGHDMZQJ-UHFFFAOYSA-N 1 2 332.350 2.257 10 10 EECELO NC(=O)Cc1cccc2c1CC[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000895439576 684601239 /nfs/dbraw/zinc/60/12/39/684601239.db2.gz DHNDFWAGHDMZQJ-UHFFFAOYSA-N 1 2 332.350 2.257 10 10 EECELO C/C(=C\C(=O)NCCCSc1nccs1)C[NH+]1CCOCC1 ZINC000900682301 1234652745 /nfs/dbraw/zinc/65/27/45/1234652745.db2.gz FLVFUXMSBWVYCR-ACCUITESSA-N 1 2 341.502 2.020 10 10 EECELO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)c(F)cc1O ZINC000850546324 1277262470 /nfs/dbraw/zinc/26/24/70/1277262470.db2.gz HYGCKTUNLCXULV-YUMQZZPRSA-N 1 2 331.185 2.223 10 10 EECELO C[C@H]([NH2+]C[C@H]1COCCN1C)c1cc(Br)c(F)cc1O ZINC000858523872 1294142988 /nfs/dbraw/zinc/14/29/88/1294142988.db2.gz XPMDXXCUIHFVQV-UWVGGRQHSA-N 1 2 347.228 2.275 10 10 EECELO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000839612948 1315220357 /nfs/dbraw/zinc/22/03/57/1315220357.db2.gz INOAGVCNFROHNI-LJQANCHMSA-N 1 2 345.487 2.260 10 10 EECELO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000839612948 1315220361 /nfs/dbraw/zinc/22/03/61/1315220361.db2.gz INOAGVCNFROHNI-LJQANCHMSA-N 1 2 345.487 2.260 10 10 EECELO COc1ccc(C[NH2+]CCN(C)C(=O)C(F)C(F)(F)F)cc1C ZINC001567498403 1342770436 /nfs/dbraw/zinc/77/04/36/1342770436.db2.gz HDVJRXATJMYPPN-CYBMUJFWSA-N 1 2 336.329 2.452 10 10 EECELO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](F)C(F)(F)F)cc1C ZINC001567498403 1342770440 /nfs/dbraw/zinc/77/04/40/1342770440.db2.gz HDVJRXATJMYPPN-CYBMUJFWSA-N 1 2 336.329 2.452 10 10 EECELO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000780565703 784752235 /nfs/dbraw/zinc/75/22/35/784752235.db2.gz OAJDYKLLSCDPLC-SECBINFHSA-N 1 2 325.210 2.442 10 10 EECELO CCc1nnc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n1C ZINC000195096920 463990376 /nfs/dbraw/zinc/99/03/76/463990376.db2.gz IZZBTYRRNGNWCU-UHFFFAOYSA-N 1 2 329.448 2.098 10 10 EECELO CCc1nnc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)n1C ZINC000195096920 463990384 /nfs/dbraw/zinc/99/03/84/463990384.db2.gz IZZBTYRRNGNWCU-UHFFFAOYSA-N 1 2 329.448 2.098 10 10 EECELO CCn1cc([C@H]2C[N@H+](Cc3cc(OC)c(OC)cc3O)CCO2)cn1 ZINC000189856732 464556502 /nfs/dbraw/zinc/55/65/02/464556502.db2.gz LBHRNLQGPKRQJA-GOSISDBHSA-N 1 2 347.415 2.199 10 10 EECELO CCn1cc([C@H]2C[N@@H+](Cc3cc(OC)c(OC)cc3O)CCO2)cn1 ZINC000189856732 464556510 /nfs/dbraw/zinc/55/65/10/464556510.db2.gz LBHRNLQGPKRQJA-GOSISDBHSA-N 1 2 347.415 2.199 10 10 EECELO C[C@@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)c1ccccc1O ZINC000924787190 1206031706 /nfs/dbraw/zinc/03/17/06/1206031706.db2.gz JUAIHWMWSAUXKE-LLVKDONJSA-N 1 2 334.445 2.471 10 10 EECELO COc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)c(O)c1 ZINC000795288316 1212429806 /nfs/dbraw/zinc/42/98/06/1212429806.db2.gz BKUFDHBJLDIFAO-CYBMUJFWSA-N 1 2 344.415 2.012 10 10 EECELO COc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)c(O)c1 ZINC000795288316 1212429813 /nfs/dbraw/zinc/42/98/13/1212429813.db2.gz BKUFDHBJLDIFAO-CYBMUJFWSA-N 1 2 344.415 2.012 10 10 EECELO COc1ccc(N(C)CC[N@H+](C)Cc2nnc(C)n2C2CC2)cc1 ZINC000844400299 789065234 /nfs/dbraw/zinc/06/52/34/789065234.db2.gz ZQRVHHJWIMMXLX-UHFFFAOYSA-N 1 2 329.448 2.498 10 10 EECELO COc1ccc(N(C)CC[N@@H+](C)Cc2nnc(C)n2C2CC2)cc1 ZINC000844400299 789065244 /nfs/dbraw/zinc/06/52/44/789065244.db2.gz ZQRVHHJWIMMXLX-UHFFFAOYSA-N 1 2 329.448 2.498 10 10 EECELO Cc1ccc(/C=C2/SC(=S)N(CC[NH+]3CCOCC3)C2=O)o1 ZINC000096935895 201378225 /nfs/dbraw/zinc/37/82/25/201378225.db2.gz XENHUEXBGVJUGA-JLHYYAGUSA-N 1 2 338.454 2.121 10 10 EECELO COc1ccc2c(c1)[C@]1(C)CN(C3CCCCC3)C(=O)[C@@]1([NH3+])N2C ZINC000032106192 463365114 /nfs/dbraw/zinc/36/51/14/463365114.db2.gz FDSAOMXHFZKROP-RBUKOAKNSA-N 1 2 329.444 2.233 10 10 EECELO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000184723081 465022297 /nfs/dbraw/zinc/02/22/97/465022297.db2.gz CDBNGOUOEYYDSE-MSOLQXFVSA-N 1 2 342.439 2.013 10 10 EECELO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000184723081 465022298 /nfs/dbraw/zinc/02/22/98/465022298.db2.gz CDBNGOUOEYYDSE-MSOLQXFVSA-N 1 2 342.439 2.013 10 10 EECELO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000773740220 577362025 /nfs/dbraw/zinc/36/20/25/577362025.db2.gz AXYQSFRYEYFCBQ-LBPRGKRZSA-N 1 2 338.367 2.040 10 10 EECELO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc2cc(O)c(O)cc2s1 ZINC000898096932 691879362 /nfs/dbraw/zinc/87/93/62/691879362.db2.gz BAMPPXWQGXLFRA-SNVBAGLBSA-N 1 2 329.381 2.254 10 10 EECELO CCC(C)(C)NC(=O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866023 1211581136 /nfs/dbraw/zinc/58/11/36/1211581136.db2.gz RUPWICLDVFSOOJ-UHFFFAOYSA-N 1 2 337.439 2.261 10 10 EECELO OCCN1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000824584043 788246699 /nfs/dbraw/zinc/24/66/99/788246699.db2.gz VRKDJSZQXRNOOX-ZDUSSCGKSA-N 1 2 343.265 2.091 10 10 EECELO CCn1cc[nH+]c1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000296392507 465180045 /nfs/dbraw/zinc/18/00/45/465180045.db2.gz LFYKNGBOLUGSCM-UHFFFAOYSA-N 1 2 325.416 2.279 10 10 EECELO Oc1cc2c(cc1C[NH+]1CC(O)(c3ccc(Cl)cc3)C1)OCO2 ZINC000365683709 534448137 /nfs/dbraw/zinc/44/81/37/534448137.db2.gz YTSYBHJQGNCPAN-UHFFFAOYSA-N 1 2 333.771 2.478 10 10 EECELO C[C@@H]([NH2+]Cc1nsc(N(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC000775258866 577433850 /nfs/dbraw/zinc/43/38/50/577433850.db2.gz LEMSEBBYMOUZHL-CYBMUJFWSA-N 1 2 347.488 2.292 10 10 EECELO CCN(Cc1cc(Br)ccc1O)C(=O)Cn1cc[nH+]c1 ZINC000120989317 675799629 /nfs/dbraw/zinc/79/96/29/675799629.db2.gz LOEBYGOZTBXTHV-UHFFFAOYSA-N 1 2 338.205 2.400 10 10 EECELO CCCN(Cc1ccccc1O)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000901051236 1235163205 /nfs/dbraw/zinc/16/32/05/1235163205.db2.gz AVSGGOBCYFHRFD-DTQAZKPQSA-N 1 2 332.444 2.409 10 10 EECELO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)cc(F)c1O ZINC000850548184 1277263066 /nfs/dbraw/zinc/26/30/66/1277263066.db2.gz YSSRSDLKVNGSIB-CBAPKCEASA-N 1 2 331.185 2.223 10 10 EECELO CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1O ZINC000842163959 1315670256 /nfs/dbraw/zinc/67/02/56/1315670256.db2.gz TUEFICGWNPCSNH-NWDGAFQWSA-N 1 2 340.851 2.135 10 10 EECELO CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1O ZINC000842163959 1315670258 /nfs/dbraw/zinc/67/02/58/1315670258.db2.gz TUEFICGWNPCSNH-NWDGAFQWSA-N 1 2 340.851 2.135 10 10 EECELO CCOc1ccc(N2CC[NH+](Cc3[nH]nc4c3COCC4)CC2)cc1 ZINC001262235221 1322259485 /nfs/dbraw/zinc/25/94/85/1322259485.db2.gz XPYZIMGPXOMQLR-UHFFFAOYSA-N 1 2 342.443 2.203 10 10 EECELO CCc1nnc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccc(N(C)C)c(C)c2)[nH]1 ZINC001176951496 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EECELO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715716224 795484042 /nfs/dbraw/zinc/48/40/42/795484042.db2.gz DJUYZBKODMHJSV-HQJQHLMTSA-N 1 2 331.185 2.051 10 10 EECELO CC(C)c1ncc2c(n1)CC[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000527614495 317230304 /nfs/dbraw/zinc/23/03/04/317230304.db2.gz BHJWMBWWEHTTPQ-QGZVFWFLSA-N 1 2 341.411 2.290 10 10 EECELO O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2O)CC1)C1CCC1 ZINC000069775974 463323500 /nfs/dbraw/zinc/32/35/00/463323500.db2.gz WHYIGZIMOAKTPE-UHFFFAOYSA-N 1 2 333.388 2.181 10 10 EECELO CN(C)c1cc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)cc[nH+]1 ZINC000058559152 463609187 /nfs/dbraw/zinc/60/91/87/463609187.db2.gz BBXVODIFDGBTHU-UHFFFAOYSA-N 1 2 345.422 2.352 10 10 EECELO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1O ZINC000177129656 464938840 /nfs/dbraw/zinc/93/88/40/464938840.db2.gz HOOZBWQBHAEWIX-VXGBXAGGSA-N 1 2 340.851 2.135 10 10 EECELO CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1O ZINC000177129656 464938847 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COc1ccc([N@H+](CCC(C)C)CC2CN(S(C)(=O)=O)C2)cc1 ZINC000930290103 1199298225 /nfs/dbraw/zinc/29/82/25/1199298225.db2.gz XEFOLMPZOZQCEJ-UHFFFAOYSA-N 1 2 340.489 2.439 10 10 EECELO COc1ccc([N@@H+](CCC(C)C)CC2CN(S(C)(=O)=O)C2)cc1 ZINC000930290103 1199298232 /nfs/dbraw/zinc/29/82/32/1199298232.db2.gz XEFOLMPZOZQCEJ-UHFFFAOYSA-N 1 2 340.489 2.439 10 10 EECELO COC(=O)/C=C\c1ccc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000098056568 1216576183 /nfs/dbraw/zinc/57/61/83/1216576183.db2.gz WBKKAFSYZZJEKH-HYXAFXHYSA-N 1 2 328.328 2.039 10 10 EECELO C[C@H]([NH2+][C@H]1CCNC1=O)c1cc(Br)cc(Cl)c1O ZINC000850480962 1277238656 /nfs/dbraw/zinc/23/86/56/1277238656.db2.gz GAQPPCAMKMHPKB-WKEGUHRASA-N 1 2 333.613 2.347 10 10 EECELO O=C1OCC[C@@H]2C[N@H+](Cc3c(O)cccc3Br)CCN12 ZINC000862252253 1295771597 /nfs/dbraw/zinc/77/15/97/1295771597.db2.gz DNEUBGZQIHQWTL-SNVBAGLBSA-N 1 2 341.205 2.181 10 10 EECELO O=C(Cc1ccc(O)c(O)c1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001142504209 1315641151 /nfs/dbraw/zinc/64/11/51/1315641151.db2.gz UKDQGGOJTREIOQ-UHFFFAOYSA-N 1 2 342.395 2.111 10 10 EECELO Cc1cccn2cc(CCNC(=O)c3c(F)ccc(O)c3O)[nH+]c12 ZINC001648612958 1353436041 /nfs/dbraw/zinc/43/60/41/1353436041.db2.gz RPBZGEHQQAEIRB-UHFFFAOYSA-N 1 2 329.331 2.166 10 10 EECELO COCC[NH2+]C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000844901035 789443378 /nfs/dbraw/zinc/44/33/78/789443378.db2.gz UNLZZMPVPVAXBD-UHFFFAOYSA-N 1 2 343.811 2.154 10 10 EECELO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Br)cc(F)c1O ZINC000846192175 790085674 /nfs/dbraw/zinc/08/56/74/790085674.db2.gz FTGXLJYOSPMORI-YMTOWFKASA-N 1 2 348.212 2.486 10 10 EECELO Cc1csc([C@@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CCO2)n1 ZINC000156510887 463033451 /nfs/dbraw/zinc/03/34/51/463033451.db2.gz GWGWHVGNRDAYCI-HNNXBMFYSA-N 1 2 334.397 2.459 10 10 EECELO Cc1csc([C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCO2)n1 ZINC000156510887 463033453 /nfs/dbraw/zinc/03/34/53/463033453.db2.gz GWGWHVGNRDAYCI-HNNXBMFYSA-N 1 2 334.397 2.459 10 10 EECELO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cc([N+](=O)[O-])ccc1O ZINC000284310319 464145914 /nfs/dbraw/zinc/14/59/14/464145914.db2.gz LGWGUJGQUVDRQW-PGUXBMHVSA-N 1 2 326.393 2.109 10 10 EECELO O=C1NN(c2ccccc2)C(=O)/C1=C/c1[nH+]ccn1Cc1ccccc1 ZINC000734095091 577277293 /nfs/dbraw/zinc/27/72/93/577277293.db2.gz JUIVFNZCNGSDSI-GHRIWEEISA-N 1 2 344.374 2.393 10 10 EECELO Cc1nc(N(Cc2ccccc2O)C[C@@H]2CCCO2)nc(N(C)C)[nH+]1 ZINC000762180325 577696679 /nfs/dbraw/zinc/69/66/79/577696679.db2.gz URYRKSVFFFTPGC-HNNXBMFYSA-N 1 2 343.431 2.137 10 10 EECELO Cc1nc(N(C)C)nc(N(Cc2ccccc2O)C[C@@H]2CCCO2)[nH+]1 ZINC000762180325 577696680 /nfs/dbraw/zinc/69/66/80/577696680.db2.gz URYRKSVFFFTPGC-HNNXBMFYSA-N 1 2 343.431 2.137 10 10 EECELO O=C(CCCn1cc[nH+]c1)NCc1cc(Br)ccc1O ZINC000804733557 675609192 /nfs/dbraw/zinc/60/91/92/675609192.db2.gz SWMXRYUCAFCADW-UHFFFAOYSA-N 1 2 338.205 2.448 10 10 EECELO C[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cc(Cl)ccc1O ZINC000866629928 1201564516 /nfs/dbraw/zinc/56/45/16/1201564516.db2.gz SZPGWXGHWHARCT-VIFPVBQESA-N 1 2 335.791 2.465 10 10 EECELO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc(Br)cc(F)c1O ZINC000858522680 1294142338 /nfs/dbraw/zinc/14/23/38/1294142338.db2.gz HMPLWHOZHRTRMV-KOLCDFICSA-N 1 2 347.228 2.275 10 10 EECELO FCC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000862530362 1295868625 /nfs/dbraw/zinc/86/86/25/1295868625.db2.gz KZRDRZKZKABHMF-HNNXBMFYSA-N 1 2 326.387 2.223 10 10 EECELO FCC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000862530362 1295868635 /nfs/dbraw/zinc/86/86/35/1295868635.db2.gz KZRDRZKZKABHMF-HNNXBMFYSA-N 1 2 326.387 2.223 10 10 EECELO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)CC2 ZINC000187794488 464162464 /nfs/dbraw/zinc/16/24/64/464162464.db2.gz BRPDGXBWVAHXAC-VHSXEESVSA-N 1 2 338.358 2.074 10 10 EECELO COc1ccc([NH+]2CCC(NC(=S)NC[C@H]3CCCO3)CC2)cc1 ZINC000726494227 576269665 /nfs/dbraw/zinc/26/96/65/576269665.db2.gz QLCZQEFJRAAWCU-QGZVFWFLSA-N 1 2 349.500 2.307 10 10 EECELO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC000752310040 577768884 /nfs/dbraw/zinc/76/88/84/577768884.db2.gz JXJOOOPGGJEDGH-HDICACEKSA-N 1 2 342.439 2.013 10 10 EECELO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC000752310040 577768885 /nfs/dbraw/zinc/76/88/85/577768885.db2.gz JXJOOOPGGJEDGH-HDICACEKSA-N 1 2 342.439 2.013 10 10 EECELO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000781901357 679286462 /nfs/dbraw/zinc/28/64/62/679286462.db2.gz QVYBFJSRDQNHDM-NSHDSACASA-N 1 2 348.262 2.082 10 10 EECELO Cc1cc(Br)c(O)c(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000781901357 679286463 /nfs/dbraw/zinc/28/64/63/679286463.db2.gz QVYBFJSRDQNHDM-NSHDSACASA-N 1 2 348.262 2.082 10 10 EECELO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898882728 693511140 /nfs/dbraw/zinc/51/11/40/693511140.db2.gz BHTYJVJTBSWFRA-ZDUSSCGKSA-N 1 2 344.440 2.353 10 10 EECELO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000825709741 1198769609 /nfs/dbraw/zinc/76/96/09/1198769609.db2.gz AMSTVAGOZSPJGZ-INTQDDNPSA-N 1 2 328.206 2.442 10 10 EECELO COc1ccc(N2CC[NH+](Cc3cnn(CCF)c3)CC2)c(OC)c1 ZINC000931530550 1207406577 /nfs/dbraw/zinc/40/65/77/1207406577.db2.gz JBIXQECZUYSAHZ-UHFFFAOYSA-N 1 2 348.422 2.192 10 10 EECELO COC[C@]1(C(=O)OC)CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000827488835 1248189336 /nfs/dbraw/zinc/18/93/36/1248189336.db2.gz MDHBRKVNDRCIAZ-XZXOBPBMSA-N 1 2 332.444 2.420 10 10 EECELO COC[C@]1(C(=O)OC)CCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000827488835 1248189338 /nfs/dbraw/zinc/18/93/38/1248189338.db2.gz MDHBRKVNDRCIAZ-XZXOBPBMSA-N 1 2 332.444 2.420 10 10 EECELO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000375262018 466834065 /nfs/dbraw/zinc/83/40/65/466834065.db2.gz MJUNCASGIZVUQJ-MRXNPFEDSA-N 1 2 331.416 2.325 10 10 EECELO COc1ccc(O)c(C[N@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000375262018 466834069 /nfs/dbraw/zinc/83/40/69/466834069.db2.gz MJUNCASGIZVUQJ-MRXNPFEDSA-N 1 2 331.416 2.325 10 10 EECELO C/C(=C/C(=O)NCc1ccc(N2CCCC2)cc1)C[NH+]1CCOCC1 ZINC000900187373 1234075012 /nfs/dbraw/zinc/07/50/12/1234075012.db2.gz GRDNCRHQWTZBEY-VKAVYKQESA-N 1 2 343.471 2.182 10 10 EECELO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ncnn21 ZINC000850351567 1277194159 /nfs/dbraw/zinc/19/41/59/1277194159.db2.gz CWRCKOKSSPTXCT-DOMZBBRYSA-N 1 2 331.395 2.049 10 10 EECELO CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1O ZINC000842163961 1315670304 /nfs/dbraw/zinc/67/03/04/1315670304.db2.gz TUEFICGWNPCSNH-RYUDHWBXSA-N 1 2 340.851 2.135 10 10 EECELO CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c1O ZINC000842163961 1315670306 /nfs/dbraw/zinc/67/03/06/1315670306.db2.gz TUEFICGWNPCSNH-RYUDHWBXSA-N 1 2 340.851 2.135 10 10 EECELO CNC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001660142859 1354403309 /nfs/dbraw/zinc/40/33/09/1354403309.db2.gz UDPBICQEXDIFDP-CYBMUJFWSA-N 1 2 339.823 2.142 10 10 EECELO CNC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001660142859 1354403311 /nfs/dbraw/zinc/40/33/11/1354403311.db2.gz UDPBICQEXDIFDP-CYBMUJFWSA-N 1 2 339.823 2.142 10 10 EECELO COc1ccc(N2CCC[N@H+](Cc3nnc(C4CC4)n3C)CC2)cc1 ZINC000195096901 463989591 /nfs/dbraw/zinc/98/95/91/463989591.db2.gz KPYNUXYUHHOQQN-UHFFFAOYSA-N 1 2 341.459 2.413 10 10 EECELO COc1ccc(N2CCC[N@@H+](Cc3nnc(C4CC4)n3C)CC2)cc1 ZINC000195096901 463989596 /nfs/dbraw/zinc/98/95/96/463989596.db2.gz KPYNUXYUHHOQQN-UHFFFAOYSA-N 1 2 341.459 2.413 10 10 EECELO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]Cc1cccc(OCC)c1O ZINC000763481740 577721755 /nfs/dbraw/zinc/72/17/55/577721755.db2.gz UJNZQYJMECYSOR-MRXNPFEDSA-N 1 2 344.411 2.450 10 10 EECELO CO[C@](C)(CO)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000848557509 1186208970 /nfs/dbraw/zinc/20/89/70/1186208970.db2.gz FJVZTTOOPCHYGL-OQPBUACISA-N 1 2 336.201 2.342 10 10 EECELO Cc1cc(O)c(C[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c(Cl)c1 ZINC000865865877 1198406715 /nfs/dbraw/zinc/40/67/15/1198406715.db2.gz BZEUWMVTRMFLFD-UHFFFAOYSA-N 1 2 335.791 2.212 10 10 EECELO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000844422023 789084735 /nfs/dbraw/zinc/08/47/35/789084735.db2.gz KIJFYLOIKYZHNY-HNNXBMFYSA-N 1 2 331.460 2.012 10 10 EECELO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000844422023 789084749 /nfs/dbraw/zinc/08/47/49/789084749.db2.gz KIJFYLOIKYZHNY-HNNXBMFYSA-N 1 2 331.460 2.012 10 10 EECELO COC(=O)c1cc2ccccc2c(C[N@H+](C)Cc2nncn2C)c1O ZINC000808215106 812519202 /nfs/dbraw/zinc/51/92/02/812519202.db2.gz GXPVIQXJMYGRQH-UHFFFAOYSA-N 1 2 340.383 2.093 10 10 EECELO COC(=O)c1cc2ccccc2c(C[N@@H+](C)Cc2nncn2C)c1O ZINC000808215106 812519206 /nfs/dbraw/zinc/51/92/06/812519206.db2.gz GXPVIQXJMYGRQH-UHFFFAOYSA-N 1 2 340.383 2.093 10 10 EECELO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2ccc(O)c(O)c2)c1C ZINC001542430010 1124113264 /nfs/dbraw/zinc/11/32/64/1124113264.db2.gz BHVUFFBSGAQNCU-UHFFFAOYSA-N 1 2 330.384 2.319 10 10 EECELO CCCN(CCC)c1ccc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000769502044 577579291 /nfs/dbraw/zinc/57/92/91/577579291.db2.gz SHGBVAIQWNHWFX-KRWDZBQOSA-N 1 2 347.503 2.338 10 10 EECELO CC1(C)C[NH+](CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000816921594 784334923 /nfs/dbraw/zinc/33/49/23/784334923.db2.gz ATUPBHXWQBMENA-INIZCTEOSA-N 1 2 332.444 2.242 10 10 EECELO C[NH+](C)CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000922629902 801547050 /nfs/dbraw/zinc/54/70/50/801547050.db2.gz AXXBJJLAQKQSOX-MRXNPFEDSA-N 1 2 330.388 2.478 10 10 EECELO COc1c(O)c(C[N@H+](CCO)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000793365740 810286360 /nfs/dbraw/zinc/28/63/60/810286360.db2.gz NOPSLUAOHRRUEY-UHFFFAOYSA-N 1 2 336.344 2.205 10 10 EECELO COc1c(O)c(C[N@@H+](CCO)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000793365740 810286363 /nfs/dbraw/zinc/28/63/63/810286363.db2.gz NOPSLUAOHRRUEY-UHFFFAOYSA-N 1 2 336.344 2.205 10 10 EECELO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c(C)n1-c1ccccc1C ZINC000184738403 465023251 /nfs/dbraw/zinc/02/32/51/465023251.db2.gz ZEVNAQCPIYSKEY-SJORKVTESA-N 1 2 342.439 2.013 10 10 EECELO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)c(C)n1-c1ccccc1C ZINC000184738403 465023252 /nfs/dbraw/zinc/02/32/52/465023252.db2.gz ZEVNAQCPIYSKEY-SJORKVTESA-N 1 2 342.439 2.013 10 10 EECELO C[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000132604033 1190869652 /nfs/dbraw/zinc/86/96/52/1190869652.db2.gz FJZSOOZCDNVJPA-ZCFIWIBFSA-N 1 2 339.027 2.388 10 10 EECELO COc1c(O)c(C[N@@H+]2CCN(C)c3ncccc3C2)ccc1[N+](=O)[O-] ZINC000872267455 1198119982 /nfs/dbraw/zinc/11/99/82/1198119982.db2.gz QZOALVVHTFFJFB-UHFFFAOYSA-N 1 2 344.371 2.156 10 10 EECELO COc1c(O)c(C[N@H+]2CCN(C)c3ncccc3C2)ccc1[N+](=O)[O-] ZINC000872267455 1198119985 /nfs/dbraw/zinc/11/99/85/1198119985.db2.gz QZOALVVHTFFJFB-UHFFFAOYSA-N 1 2 344.371 2.156 10 10 EECELO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Br)c(F)cc1O ZINC000846193512 790086237 /nfs/dbraw/zinc/08/62/37/790086237.db2.gz MSFKFZAAJXNGCK-LKFCYVNXSA-N 1 2 348.212 2.486 10 10 EECELO OC[C@@H](C[NH2+]Cc1cccc(Br)c1O)c1cccnc1 ZINC000808430741 812651639 /nfs/dbraw/zinc/65/16/39/812651639.db2.gz JOIKPOGXTCNRLY-CYBMUJFWSA-N 1 2 337.217 2.415 10 10 EECELO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368183230 466586678 /nfs/dbraw/zinc/58/66/78/466586678.db2.gz GQLXRJPDFPCHGX-HNNXBMFYSA-N 1 2 339.443 2.367 10 10 EECELO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368183230 466586682 /nfs/dbraw/zinc/58/66/82/466586682.db2.gz GQLXRJPDFPCHGX-HNNXBMFYSA-N 1 2 339.443 2.367 10 10 EECELO CCOc1ccc(C[NH2+][C@@H](CC2CCOCC2)C(=O)OC)c(O)c1 ZINC000895593131 684659045 /nfs/dbraw/zinc/65/90/45/684659045.db2.gz YQNHYKMOFWWGBQ-INIZCTEOSA-N 1 2 337.416 2.239 10 10 EECELO Cn1ncc2c1nc[nH+]c2NCc1cc(Br)ccc1O ZINC000794783244 1197965509 /nfs/dbraw/zinc/96/55/09/1197965509.db2.gz DAFITYZSJDNCSC-UHFFFAOYSA-N 1 2 334.177 2.444 10 10 EECELO COc1ccc(N2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)cc1 ZINC000855234082 1293122997 /nfs/dbraw/zinc/12/29/97/1293122997.db2.gz RYJQTOQGVTXHPG-AWEZNQCLSA-N 1 2 336.395 2.352 10 10 EECELO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862420299 1295842231 /nfs/dbraw/zinc/84/22/31/1295842231.db2.gz ZARMODQZNWCPNR-ZDUSSCGKSA-N 1 2 340.418 2.219 10 10 EECELO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862420299 1295842236 /nfs/dbraw/zinc/84/22/36/1295842236.db2.gz ZARMODQZNWCPNR-ZDUSSCGKSA-N 1 2 340.418 2.219 10 10 EECELO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC000823776354 787931641 /nfs/dbraw/zinc/93/16/41/787931641.db2.gz NZVCNZLMNLVMLC-IAOVAPTHSA-N 1 2 340.427 2.165 10 10 EECELO C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)c(F)cc1O ZINC000846189556 790084391 /nfs/dbraw/zinc/08/43/91/790084391.db2.gz MOZNCQZFCVORMX-PRJMDXOYSA-N 1 2 331.185 2.208 10 10 EECELO CC/C=C(/F)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001542431823 1124113406 /nfs/dbraw/zinc/11/34/06/1124113406.db2.gz ITSGPEOAZMOCLV-HAVNEIBRSA-N 1 2 335.423 2.197 10 10 EECELO COc1cc(N2CC[NH+](Cc3n[nH]cc3C)CC2)cc(OC)c1OC ZINC000290881022 464135005 /nfs/dbraw/zinc/13/50/05/464135005.db2.gz 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CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768907565 577565509 /nfs/dbraw/zinc/56/55/09/577565509.db2.gz ZZWRXTIVAGGPOA-INIZCTEOSA-N 1 2 346.431 2.296 10 10 EECELO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)C2N=NC(=O)N2C)c1 ZINC000895178699 684227103 /nfs/dbraw/zinc/22/71/03/684227103.db2.gz XJSKEJBSBCQEHE-QMMMGPOBSA-N 1 2 341.209 2.148 10 10 EECELO COC(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000895847828 684747262 /nfs/dbraw/zinc/74/72/62/684747262.db2.gz IFXJRMZSGPJKNF-NSHDSACASA-N 1 2 343.221 2.393 10 10 EECELO COC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000895847828 684747266 /nfs/dbraw/zinc/74/72/66/684747266.db2.gz IFXJRMZSGPJKNF-NSHDSACASA-N 1 2 343.221 2.393 10 10 EECELO CC[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(F)cc1O ZINC000866630117 1201564529 /nfs/dbraw/zinc/56/45/29/1201564529.db2.gz WPBWPBQMDHBYCJ-CYBMUJFWSA-N 1 2 333.363 2.341 10 10 EECELO C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000863651162 1296366645 /nfs/dbraw/zinc/36/66/45/1296366645.db2.gz HYGYTOVIYBDEOR-GASCZTMLSA-N 1 2 325.796 2.385 10 10 EECELO C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000863651162 1296366656 /nfs/dbraw/zinc/36/66/56/1296366656.db2.gz HYGYTOVIYBDEOR-GASCZTMLSA-N 1 2 325.796 2.385 10 10 EECELO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c1O ZINC001655800289 1354185229 /nfs/dbraw/zinc/18/52/29/1354185229.db2.gz ZNXGVIFVVRCBQP-KBPBESRZSA-N 1 2 326.799 2.476 10 10 EECELO CC(=O)c1cc(Cl)cc(CN2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c1O ZINC001655800289 1354185235 /nfs/dbraw/zinc/18/52/35/1354185235.db2.gz ZNXGVIFVVRCBQP-KBPBESRZSA-N 1 2 326.799 2.476 10 10 EECELO COc1ccc(O)c([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000845833477 789962830 /nfs/dbraw/zinc/96/28/30/789962830.db2.gz LRLTUKGKZFUTIK-LBPRGKRZSA-N 1 2 329.400 2.354 10 10 EECELO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](COc3ccccc3)C1)OCO2 ZINC000790460163 808729436 /nfs/dbraw/zinc/72/94/36/808729436.db2.gz ODYTYNDIIVEDCY-MRXNPFEDSA-N 1 2 343.379 2.401 10 10 EECELO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](COc3ccccc3)C1)OCO2 ZINC000790460163 808729440 /nfs/dbraw/zinc/72/94/40/808729440.db2.gz ODYTYNDIIVEDCY-MRXNPFEDSA-N 1 2 343.379 2.401 10 10 EECELO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](c3nnc(CC)[nH]3)C2)c1 ZINC000129196587 462693379 /nfs/dbraw/zinc/69/33/79/462693379.db2.gz SPLBBQFVEYBWNE-HNNXBMFYSA-N 1 2 332.404 2.045 10 10 EECELO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](c3nnc(CC)[nH]3)C2)c1 ZINC000129196587 462693383 /nfs/dbraw/zinc/69/33/83/462693383.db2.gz SPLBBQFVEYBWNE-HNNXBMFYSA-N 1 2 332.404 2.045 10 10 EECELO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](c3n[nH]c(CC)n3)C2)c1 ZINC000129196587 462693386 /nfs/dbraw/zinc/69/33/86/462693386.db2.gz SPLBBQFVEYBWNE-HNNXBMFYSA-N 1 2 332.404 2.045 10 10 EECELO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](c3n[nH]c(CC)n3)C2)c1 ZINC000129196587 462693391 /nfs/dbraw/zinc/69/33/91/462693391.db2.gz SPLBBQFVEYBWNE-HNNXBMFYSA-N 1 2 332.404 2.045 10 10 EECELO Cc1cccc(C[NH2+][C@H](C(=O)OCc2ccccc2)[C@H](C)O)c1O ZINC000293916703 464426158 /nfs/dbraw/zinc/42/61/58/464426158.db2.gz MHFLAFGCTKXGSN-YOEHRIQHSA-N 1 2 329.396 2.283 10 10 EECELO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)c(C)n1-c1ccc(C)cc1 ZINC000184727869 465022260 /nfs/dbraw/zinc/02/22/60/465022260.db2.gz DQFFJHXMBJYUJW-QZTJIDSGSA-N 1 2 342.439 2.013 10 10 EECELO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)c(C)n1-c1ccc(C)cc1 ZINC000184727869 465022263 /nfs/dbraw/zinc/02/22/63/465022263.db2.gz DQFFJHXMBJYUJW-QZTJIDSGSA-N 1 2 342.439 2.013 10 10 EECELO COc1ccc(N(CCC(C)C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000796506282 1220136390 /nfs/dbraw/zinc/13/63/90/1220136390.db2.gz YDUGBQFUCCTZCK-SFHVURJKSA-N 1 2 336.476 2.241 10 10 EECELO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc(Br)c(F)cc1O ZINC000858523874 1294143251 /nfs/dbraw/zinc/14/32/51/1294143251.db2.gz XPMDXXCUIHFVQV-ZJUUUORDSA-N 1 2 347.228 2.275 10 10 EECELO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Br)cc(F)c1O ZINC000846192171 790085798 /nfs/dbraw/zinc/08/57/98/790085798.db2.gz FTGXLJYOSPMORI-LKFCYVNXSA-N 1 2 348.212 2.486 10 10 EECELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)cs1 ZINC000187075523 464096228 /nfs/dbraw/zinc/09/62/28/464096228.db2.gz QOHHELZBPRLQOS-UHFFFAOYSA-N 1 2 347.440 2.211 10 10 EECELO Cc1nc(C[N@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)cs1 ZINC000187075523 464096232 /nfs/dbraw/zinc/09/62/32/464096232.db2.gz QOHHELZBPRLQOS-UHFFFAOYSA-N 1 2 347.440 2.211 10 10 EECELO COC(=O)/C=C\c1ccc(N(C)Cc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000768490730 577556880 /nfs/dbraw/zinc/55/68/80/577556880.db2.gz ZLRRACUPWDPWFM-YVMONPNESA-N 1 2 342.355 2.395 10 10 EECELO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)c(C)n1-c1ccccc1 ZINC000762924376 577711497 /nfs/dbraw/zinc/71/14/97/577711497.db2.gz CRPSRODKESGYPT-OAHLLOKOSA-N 1 2 340.427 2.019 10 10 EECELO Cc1cc(C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)c(C)n1-c1ccccc1 ZINC000762924376 577711498 /nfs/dbraw/zinc/71/14/98/577711498.db2.gz CRPSRODKESGYPT-OAHLLOKOSA-N 1 2 340.427 2.019 10 10 EECELO O=C(NCc1c(O)cccc1F)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000928706560 1206413451 /nfs/dbraw/zinc/41/34/51/1206413451.db2.gz XGVFIKBZGIRLBQ-INIZCTEOSA-N 1 2 329.375 2.207 10 10 EECELO O=C(NCc1c(O)cccc1F)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000928706560 1206413452 /nfs/dbraw/zinc/41/34/52/1206413452.db2.gz XGVFIKBZGIRLBQ-INIZCTEOSA-N 1 2 329.375 2.207 10 10 EECELO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000827544554 1248408812 /nfs/dbraw/zinc/40/88/12/1248408812.db2.gz FFXYWGWQXRUOGK-LLVKDONJSA-N 1 2 329.803 2.372 10 10 EECELO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000827544554 1248408823 /nfs/dbraw/zinc/40/88/23/1248408823.db2.gz FFXYWGWQXRUOGK-LLVKDONJSA-N 1 2 329.803 2.372 10 10 EECELO CCOc1ccc(C[NH2+][C@H](C[C@H]2CCCOC2)C(=O)OC)c(O)c1 ZINC000862516135 1295864738 /nfs/dbraw/zinc/86/47/38/1295864738.db2.gz LJFSGLRNCUZZQV-CZUORRHYSA-N 1 2 337.416 2.239 10 10 EECELO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cc(O)ccc1O ZINC001593881065 1349873176 /nfs/dbraw/zinc/87/31/76/1349873176.db2.gz DROAGLYDOHVUOL-UHFFFAOYSA-N 1 2 347.321 2.351 10 10 EECELO CN(CCCNC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc[nH+]1 ZINC001636581002 1352666590 /nfs/dbraw/zinc/66/65/90/1352666590.db2.gz OXECPQZEHVGLEF-CLFYSBASSA-N 1 2 327.384 2.149 10 10 EECELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)ccc1N1CCCCC1 ZINC000846102095 790062550 /nfs/dbraw/zinc/06/25/50/790062550.db2.gz CGZPILDBGWKBBL-ISQRANHSSA-N 1 2 349.456 2.290 10 10 EECELO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)ccc1N1CCCCC1 ZINC000846102095 790062553 /nfs/dbraw/zinc/06/25/53/790062553.db2.gz CGZPILDBGWKBBL-ISQRANHSSA-N 1 2 349.456 2.290 10 10 EECELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000121429327 463134160 /nfs/dbraw/zinc/13/41/60/463134160.db2.gz YYYYBDJDMQLGEF-UHFFFAOYSA-N 1 2 341.503 2.421 10 10 EECELO COc1ccc(O)c(C[N@@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000375262017 466833182 /nfs/dbraw/zinc/83/31/82/466833182.db2.gz MJUNCASGIZVUQJ-INIZCTEOSA-N 1 2 331.416 2.325 10 10 EECELO COc1ccc(O)c(C[N@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000375262017 466833187 /nfs/dbraw/zinc/83/31/87/466833187.db2.gz MJUNCASGIZVUQJ-INIZCTEOSA-N 1 2 331.416 2.325 10 10 EECELO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCC1 ZINC000775072026 577428740 /nfs/dbraw/zinc/42/87/40/577428740.db2.gz WIMGQBQUBXFUSU-UHFFFAOYSA-N 1 2 338.360 2.227 10 10 EECELO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCC1 ZINC000775072026 577428741 /nfs/dbraw/zinc/42/87/41/577428741.db2.gz WIMGQBQUBXFUSU-UHFFFAOYSA-N 1 2 338.360 2.227 10 10 EECELO CCC(CC)[C@H](C(=O)NCc1c(O)cccc1F)[NH+]1CCOCC1 ZINC000928706094 1206413419 /nfs/dbraw/zinc/41/34/19/1206413419.db2.gz QBIKFWUKCVHWMY-QGZVFWFLSA-N 1 2 338.423 2.285 10 10 EECELO CC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cccc(Cl)c1O ZINC000903363172 1240312621 /nfs/dbraw/zinc/31/26/21/1240312621.db2.gz MEXWVCNQWYZIKP-ZFWWWQNUSA-N 1 2 347.864 2.290 10 10 EECELO C/C(=C/C(=O)NCc1c(O)ccc2ccccc21)C[NH+]1CCOCC1 ZINC001652709078 1354099802 /nfs/dbraw/zinc/09/98/02/1354099802.db2.gz UTZNJVCBTQCEIT-QINSGFPZSA-N 1 2 340.423 2.440 10 10 EECELO O=S1(=O)CCC[C@@H]([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000694814342 761973290 /nfs/dbraw/zinc/97/32/90/761973290.db2.gz RBOXYLWJMWFYGU-LLVKDONJSA-N 1 2 348.262 2.212 10 10 EECELO COC(=O)N[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000228353840 790505266 /nfs/dbraw/zinc/50/52/66/790505266.db2.gz JLADYFNPSGYQOQ-JTQLQIEISA-N 1 2 329.194 2.085 10 10 EECELO COC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000228353840 790505273 /nfs/dbraw/zinc/50/52/73/790505273.db2.gz JLADYFNPSGYQOQ-JTQLQIEISA-N 1 2 329.194 2.085 10 10 EECELO C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)cc(F)c1O ZINC000846189900 790083702 /nfs/dbraw/zinc/08/37/02/790083702.db2.gz MXFDZSYMKPRMDP-BHNWBGBOSA-N 1 2 331.185 2.208 10 10 EECELO CC[C@H](CNC(=O)c1[nH]ncc1F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495055033 1104691671 /nfs/dbraw/zinc/69/16/71/1104691671.db2.gz PZOPGOYARLGGKC-CYBMUJFWSA-N 1 2 334.395 2.164 10 10 EECELO COc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000092040442 533482663 /nfs/dbraw/zinc/48/26/63/533482663.db2.gz VZATXXCIRBTKGN-GJZGRUSLSA-N 1 2 333.384 2.318 10 10 EECELO COc1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000092040442 533482667 /nfs/dbraw/zinc/48/26/67/533482667.db2.gz VZATXXCIRBTKGN-GJZGRUSLSA-N 1 2 333.384 2.318 10 10 EECELO C[C@@H]([NH2+]Cc1cnn(C)n1)c1cc(Br)cc(F)c1O ZINC000806168755 675522051 /nfs/dbraw/zinc/52/20/51/675522051.db2.gz ZKLOAPJRKLSEIA-SSDOTTSWSA-N 1 2 329.173 2.273 10 10 EECELO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724594245 678579119 /nfs/dbraw/zinc/57/91/19/678579119.db2.gz MATUQGUJNADRFF-XWIASGKRSA-N 1 2 346.196 2.187 10 10 EECELO CC(C)OCCC[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481607562 1181862812 /nfs/dbraw/zinc/86/28/12/1181862812.db2.gz RTTSAXQKIHTAEI-UHFFFAOYSA-N 1 2 347.419 2.078 10 10 EECELO CCOC(=O)CN1C(=O)/C(=C/c2c[nH+]cn2CC)c2ccccc21 ZINC000901487012 1235867718 /nfs/dbraw/zinc/86/77/18/1235867718.db2.gz WMUHHNGMVIWFPO-OQLLNIDSSA-N 1 2 325.368 2.353 10 10 EECELO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)cc(F)c1O ZINC000850548183 1277262708 /nfs/dbraw/zinc/26/27/08/1277262708.db2.gz YSSRSDLKVNGSIB-APPZFPTMSA-N 1 2 331.185 2.223 10 10 EECELO CCOC(=O)C[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1O ZINC000852193234 1292035117 /nfs/dbraw/zinc/03/51/17/1292035117.db2.gz ZNQOKTCGXITLAR-CQSZACIVSA-N 1 2 329.343 2.182 10 10 EECELO CCOC(=O)C[N@@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1O ZINC000852193234 1292035126 /nfs/dbraw/zinc/03/51/26/1292035126.db2.gz ZNQOKTCGXITLAR-CQSZACIVSA-N 1 2 329.343 2.182 10 10 EECELO COC(=O)Cc1cc[nH+]c(N(C)CCN(C)c2ccc(OC)cc2)c1 ZINC000853712838 1292440173 /nfs/dbraw/zinc/44/01/73/1292440173.db2.gz QVCIAOVFTLQSJZ-UHFFFAOYSA-N 1 2 343.427 2.378 10 10 EECELO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cccc(O)c1O ZINC001593739114 1349872311 /nfs/dbraw/zinc/87/23/11/1349872311.db2.gz FTXBEHLDKPTTAN-UHFFFAOYSA-N 1 2 347.321 2.351 10 10 EECELO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000788265551 807453388 /nfs/dbraw/zinc/45/33/88/807453388.db2.gz IKXOGSBPGHLSNQ-UHFFFAOYSA-N 1 2 342.443 2.183 10 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/nfs/dbraw/zinc/69/82/39/684698239.db2.gz BDJNTRZCDSRMQQ-UHFFFAOYSA-N 1 2 337.416 2.407 10 10 EECELO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000827544627 1248407538 /nfs/dbraw/zinc/40/75/38/1248407538.db2.gz GYMSXFPHBXRVSX-JTQLQIEISA-N 1 2 329.803 2.372 10 10 EECELO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000827544627 1248407549 /nfs/dbraw/zinc/40/75/49/1248407549.db2.gz GYMSXFPHBXRVSX-JTQLQIEISA-N 1 2 329.803 2.372 10 10 EECELO CC1(C)C[NH+](CC(=O)NCc2cc(Br)ccc2O)C1 ZINC000848067921 1338481435 /nfs/dbraw/zinc/48/14/35/1338481435.db2.gz CXUQJRLOMFPNLR-UHFFFAOYSA-N 1 2 327.222 2.113 10 10 EECELO CN(C)c1noc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000192994870 529817985 /nfs/dbraw/zinc/81/79/85/529817985.db2.gz QPVHJAZGRDPLDL-AWEZNQCLSA-N 1 2 332.404 2.022 10 10 EECELO CN(C)c1noc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000192994870 529817986 /nfs/dbraw/zinc/81/79/86/529817986.db2.gz QPVHJAZGRDPLDL-AWEZNQCLSA-N 1 2 332.404 2.022 10 10 EECELO COC(=O)/C=C/c1ccc(N(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000270926157 464271964 /nfs/dbraw/zinc/27/19/64/464271964.db2.gz JXKNSMBOJAPVAU-FNORWQNLSA-N 1 2 330.344 2.151 10 10 EECELO Cn1ncc2c1nc(NCc1cccc(Br)c1O)[nH+]c2N ZINC000767377896 577535754 /nfs/dbraw/zinc/53/57/54/577535754.db2.gz MZIQNUCRHITNQX-UHFFFAOYSA-N 1 2 349.192 2.026 10 10 EECELO COc1ccc(N2CC[NH+](Cc3cnc(OC)nc3C)CC2)cc1F ZINC000799128107 1305163391 /nfs/dbraw/zinc/16/33/91/1305163391.db2.gz MHGZNCNHWYVBPH-UHFFFAOYSA-N 1 2 346.406 2.264 10 10 EECELO CCn1c[nH+]cc1/C=C1/OCCn2c(C=O)c(Br)nc21 ZINC000901573791 1331515312 /nfs/dbraw/zinc/51/53/12/1331515312.db2.gz BUSQCULWHOVHSI-VZUCSPMQSA-N 1 2 337.177 2.203 10 10 EECELO Cc1cc(Br)cc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282417151 464811173 /nfs/dbraw/zinc/81/11/73/464811173.db2.gz DODXKWFKRBNCOJ-SNVBAGLBSA-N 1 2 327.222 2.126 10 10 EECELO Cc1cc(Br)cc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282417151 464811180 /nfs/dbraw/zinc/81/11/80/464811180.db2.gz DODXKWFKRBNCOJ-SNVBAGLBSA-N 1 2 327.222 2.126 10 10 EECELO COC(=O)CC[N@H+](CC(=O)OC(C)(C)C)Cc1cc(C)ccc1O ZINC000895712872 684694762 /nfs/dbraw/zinc/69/47/62/684694762.db2.gz FFZKIOYEVZMIOJ-UHFFFAOYSA-N 1 2 337.416 2.407 10 10 EECELO COC(=O)CC[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(C)ccc1O ZINC000895712872 684694763 /nfs/dbraw/zinc/69/47/63/684694763.db2.gz FFZKIOYEVZMIOJ-UHFFFAOYSA-N 1 2 337.416 2.407 10 10 EECELO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H](F)C(N)=O)CC2)c1O ZINC000879044528 1200825360 /nfs/dbraw/zinc/82/53/60/1200825360.db2.gz DQFKZTCWRBSMGV-AWEZNQCLSA-N 1 2 342.798 2.284 10 10 EECELO CC[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cccc(Cl)c1O ZINC000866520846 1201539196 /nfs/dbraw/zinc/53/91/96/1201539196.db2.gz IPBTZMXVRZWUJN-XJKSGUPXSA-N 1 2 340.807 2.308 10 10 EECELO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)ccn12 ZINC001638348096 1352687720 /nfs/dbraw/zinc/68/77/20/1352687720.db2.gz OMPZXGQRSNJYAA-NSHDSACASA-N 1 2 325.368 2.415 10 10 EECELO O=S1(=O)CCC(CC[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816558903 784129160 /nfs/dbraw/zinc/12/91/60/784129160.db2.gz PQLPAGPDCUFEHC-UHFFFAOYSA-N 1 2 335.828 2.489 10 10 EECELO NC(=O)N=Nc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC001136114278 785189501 /nfs/dbraw/zinc/18/95/01/785189501.db2.gz YYRBVLDJFXSXOT-UHFFFAOYSA-N 1 2 340.387 2.354 10 10 EECELO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000747465528 577944869 /nfs/dbraw/zinc/94/48/69/577944869.db2.gz GEBFMXLRJNBCLJ-QGZVFWFLSA-N 1 2 333.428 2.423 10 10 EECELO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000747465528 577944870 /nfs/dbraw/zinc/94/48/70/577944870.db2.gz GEBFMXLRJNBCLJ-QGZVFWFLSA-N 1 2 333.428 2.423 10 10 EECELO COc1ccc(C[NH2+][C@H](C)CNC(=O)C(F)C(F)(F)F)cc1C ZINC001266940742 1177852750 /nfs/dbraw/zinc/85/27/50/1177852750.db2.gz KCOUEFYFQLNZQM-MFKMUULPSA-N 1 2 336.329 2.498 10 10 EECELO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](F)C(F)(F)F)cc1C ZINC001266940742 1177852760 /nfs/dbraw/zinc/85/27/60/1177852760.db2.gz KCOUEFYFQLNZQM-MFKMUULPSA-N 1 2 336.329 2.498 10 10 EECELO COc1c(O)c(C[N@@H+]2CCO[C@@H](C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000872257749 1198115509 /nfs/dbraw/zinc/11/55/09/1198115509.db2.gz VWCXJNFASXGOSJ-LLVKDONJSA-N 1 2 332.303 2.165 10 10 EECELO COc1c(O)c(C[N@H+]2CCO[C@@H](C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000872257749 1198115517 /nfs/dbraw/zinc/11/55/17/1198115517.db2.gz VWCXJNFASXGOSJ-LLVKDONJSA-N 1 2 332.303 2.165 10 10 EECELO Cc1ccc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c(O)c1O ZINC000182433942 464654255 /nfs/dbraw/zinc/65/42/55/464654255.db2.gz FWNCKLGSSWRGRL-UHFFFAOYSA-N 1 2 329.400 2.462 10 10 EECELO CCOc1ccc(C[NH2+][C@H](CC2CCOCC2)C(=O)OC)c(O)c1 ZINC000895593132 684658999 /nfs/dbraw/zinc/65/89/99/684658999.db2.gz YQNHYKMOFWWGBQ-MRXNPFEDSA-N 1 2 337.416 2.239 10 10 EECELO COc1ccc(C[NH2+][C@H](C)CNC(=O)C(F)C(F)(F)F)cc1C ZINC001266940743 1177852916 /nfs/dbraw/zinc/85/29/16/1177852916.db2.gz KCOUEFYFQLNZQM-ZWNOBZJWSA-N 1 2 336.329 2.498 10 10 EECELO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](F)C(F)(F)F)cc1C ZINC001266940743 1177852927 /nfs/dbraw/zinc/85/29/27/1177852927.db2.gz KCOUEFYFQLNZQM-ZWNOBZJWSA-N 1 2 336.329 2.498 10 10 EECELO C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cc(Cl)ccc1O ZINC000866629927 1201564256 /nfs/dbraw/zinc/56/42/56/1201564256.db2.gz SZPGWXGHWHARCT-SECBINFHSA-N 1 2 335.791 2.465 10 10 EECELO C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925791617 1206154394 /nfs/dbraw/zinc/15/43/94/1206154394.db2.gz MCWUROMFIKRGJO-STQMWFEESA-N 1 2 335.404 2.110 10 10 EECELO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ncnn21 ZINC000850351570 1277193967 /nfs/dbraw/zinc/19/39/67/1277193967.db2.gz CWRCKOKSSPTXCT-WFASDCNBSA-N 1 2 331.395 2.049 10 10 EECELO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1ccc2cccnc2c1O ZINC000862025290 1295661274 /nfs/dbraw/zinc/66/12/74/1295661274.db2.gz RSQVGRLRDCHBNT-UHFFFAOYSA-N 1 2 336.395 2.332 10 10 EECELO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000824454318 788177117 /nfs/dbraw/zinc/17/71/17/788177117.db2.gz BZBCHTSFFVCBEB-SNVBAGLBSA-N 1 2 328.771 2.459 10 10 EECELO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000824454318 788177122 /nfs/dbraw/zinc/17/71/22/788177122.db2.gz BZBCHTSFFVCBEB-SNVBAGLBSA-N 1 2 328.771 2.459 10 10 EECELO O=C(NCc1c(O)cccc1F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000921630007 790158419 /nfs/dbraw/zinc/15/84/19/790158419.db2.gz OMMFMGSCZMKBHD-LBPRGKRZSA-N 1 2 330.363 2.004 10 10 EECELO COCC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCOC1 ZINC000786189088 806708330 /nfs/dbraw/zinc/70/83/30/806708330.db2.gz GSVNVXXIORAOBZ-CQSZACIVSA-N 1 2 327.808 2.486 10 10 EECELO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)c1O ZINC000184700898 465019810 /nfs/dbraw/zinc/01/98/10/465019810.db2.gz VEXBPMKYIWUIRR-ZDUSSCGKSA-N 1 2 338.795 2.054 10 10 EECELO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)c1O ZINC000184700898 465019814 /nfs/dbraw/zinc/01/98/14/465019814.db2.gz VEXBPMKYIWUIRR-ZDUSSCGKSA-N 1 2 338.795 2.054 10 10 EECELO COc1nnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000930211330 1206541797 /nfs/dbraw/zinc/54/17/97/1206541797.db2.gz SWXGFZZPYOJQSR-GFCCVEGCSA-N 1 2 334.445 2.234 10 10 EECELO COc1ccc(N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)cc1 ZINC001137386537 1247883828 /nfs/dbraw/zinc/88/38/28/1247883828.db2.gz GTJPNFJXAYWPME-UHFFFAOYSA-N 1 2 328.416 2.045 10 10 EECELO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000827488833 1248189713 /nfs/dbraw/zinc/18/97/13/1248189713.db2.gz MDHBRKVNDRCIAZ-WSSFADSRSA-N 1 2 332.444 2.420 10 10 EECELO COC[C@@]1(C(=O)OC)CCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000827488833 1248189715 /nfs/dbraw/zinc/18/97/15/1248189715.db2.gz MDHBRKVNDRCIAZ-WSSFADSRSA-N 1 2 332.444 2.420 10 10 EECELO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(F)cc(F)c1O ZINC000850518200 1277256678 /nfs/dbraw/zinc/25/66/78/1277256678.db2.gz CMLOPNJTIKLYTO-ZETCQYMHSA-N 1 2 347.305 2.298 10 10 EECELO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC001117756366 1306162948 /nfs/dbraw/zinc/16/29/48/1306162948.db2.gz BSHXKWOAHXXBGR-QGZVFWFLSA-N 1 2 343.402 2.268 10 10 EECELO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC001117756366 1306162954 /nfs/dbraw/zinc/16/29/54/1306162954.db2.gz BSHXKWOAHXXBGR-QGZVFWFLSA-N 1 2 343.402 2.268 10 10 EECELO COc1c(O)c(C[N@@H+]2CCO[C@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000843418107 1315911377 /nfs/dbraw/zinc/91/13/77/1315911377.db2.gz QJWODWPCOHKLCZ-OAHLLOKOSA-N 1 2 340.401 2.017 10 10 EECELO COc1c(O)c(C[N@H+]2CCO[C@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000843418107 1315911380 /nfs/dbraw/zinc/91/13/80/1315911380.db2.gz QJWODWPCOHKLCZ-OAHLLOKOSA-N 1 2 340.401 2.017 10 10 EECELO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1nnc2n1CCCCC2 ZINC000360203856 533442614 /nfs/dbraw/zinc/44/26/14/533442614.db2.gz VSKWOHKYDIVLNX-LLVKDONJSA-N 1 2 331.376 2.469 10 10 EECELO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)CC2 ZINC000187794503 464162981 /nfs/dbraw/zinc/16/29/81/464162981.db2.gz BRPDGXBWVAHXAC-NXEZZACHSA-N 1 2 338.358 2.074 10 10 EECELO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]Cc1ccc(OCC)cc1O ZINC000763480338 577721716 /nfs/dbraw/zinc/72/17/16/577721716.db2.gz MFAHRPLINMMMAY-KRWDZBQOSA-N 1 2 344.411 2.450 10 10 EECELO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000827544555 1248407758 /nfs/dbraw/zinc/40/77/58/1248407758.db2.gz FFXYWGWQXRUOGK-NSHDSACASA-N 1 2 329.803 2.372 10 10 EECELO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000827544555 1248407765 /nfs/dbraw/zinc/40/77/65/1248407765.db2.gz FFXYWGWQXRUOGK-NSHDSACASA-N 1 2 329.803 2.372 10 10 EECELO Cc1cc(C(=O)C[N@@H+]2CCC(=O)N(C)CC2)c(C)n1-c1ccccc1 ZINC000852579589 1292136868 /nfs/dbraw/zinc/13/68/68/1292136868.db2.gz JKIJBVMWAJDAHJ-UHFFFAOYSA-N 1 2 339.439 2.441 10 10 EECELO Cc1cc(C(=O)C[N@H+]2CCC(=O)N(C)CC2)c(C)n1-c1ccccc1 ZINC000852579589 1292136871 /nfs/dbraw/zinc/13/68/71/1292136871.db2.gz JKIJBVMWAJDAHJ-UHFFFAOYSA-N 1 2 339.439 2.441 10 10 EECELO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCc1cccc(O)c1O ZINC001558161032 1342467118 /nfs/dbraw/zinc/46/71/18/1342467118.db2.gz FMEMIBXKSISEDE-UHFFFAOYSA-N 1 2 337.379 2.202 10 10 EECELO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000844422822 789085016 /nfs/dbraw/zinc/08/50/16/789085016.db2.gz QORTWIIRKFLOQA-MRXNPFEDSA-N 1 2 345.487 2.354 10 10 EECELO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000844422822 789085028 /nfs/dbraw/zinc/08/50/28/789085028.db2.gz QORTWIIRKFLOQA-MRXNPFEDSA-N 1 2 345.487 2.354 10 10 EECELO CC(=O)c1cc(Cl)cc(C[NH+]2CCN(c3cccnn3)CC2)c1O ZINC000177097205 464929502 /nfs/dbraw/zinc/92/95/02/464929502.db2.gz NAZIFUHVIQVERU-UHFFFAOYSA-N 1 2 346.818 2.360 10 10 EECELO Cc1cc(=O)[nH]c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000761874957 577690779 /nfs/dbraw/zinc/69/07/79/577690779.db2.gz QREWHWBJZZHFDM-OAHLLOKOSA-N 1 2 329.400 2.377 10 10 EECELO Cc1cc(=O)[nH]c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000761874957 577690780 /nfs/dbraw/zinc/69/07/80/577690780.db2.gz QREWHWBJZZHFDM-OAHLLOKOSA-N 1 2 329.400 2.377 10 10 EECELO COC[C@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)CCO1 ZINC000781907686 679290162 /nfs/dbraw/zinc/29/01/62/679290162.db2.gz DVUGQSCQJJZARC-GFCCVEGCSA-N 1 2 330.222 2.310 10 10 EECELO COC[C@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)CCO1 ZINC000781907686 679290166 /nfs/dbraw/zinc/29/01/66/679290166.db2.gz DVUGQSCQJJZARC-GFCCVEGCSA-N 1 2 330.222 2.310 10 10 EECELO OC[C@H]1CCCCN1c1cc(N2Cc3cccc(O)c3C2)nc[nH+]1 ZINC000866117295 1201438580 /nfs/dbraw/zinc/43/85/80/1201438580.db2.gz KGHJTGSTNIZVSP-CQSZACIVSA-N 1 2 326.400 2.054 10 10 EECELO OC[C@H]1CCCCN1c1cc(N2Cc3cccc(O)c3C2)[nH+]cn1 ZINC000866117295 1201438583 /nfs/dbraw/zinc/43/85/83/1201438583.db2.gz KGHJTGSTNIZVSP-CQSZACIVSA-N 1 2 326.400 2.054 10 10 EECELO CC[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(F)cc1O ZINC000866630118 1201564325 /nfs/dbraw/zinc/56/43/25/1201564325.db2.gz WPBWPBQMDHBYCJ-ZDUSSCGKSA-N 1 2 333.363 2.341 10 10 EECELO NC(=O)CC1CC([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000718559729 1212461955 /nfs/dbraw/zinc/46/19/55/1212461955.db2.gz OKQLSDXYGUSTBB-UHFFFAOYSA-N 1 2 331.185 2.037 10 10 EECELO COc1c(O)c(C[N@@H+]2CCOc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000827657988 1248614737 /nfs/dbraw/zinc/61/47/37/1248614737.db2.gz USDYBRYEWVFFBS-UHFFFAOYSA-N 1 2 346.339 2.409 10 10 EECELO COc1c(O)c(C[N@H+]2CCOc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000827657988 1248614750 /nfs/dbraw/zinc/61/47/50/1248614750.db2.gz USDYBRYEWVFFBS-UHFFFAOYSA-N 1 2 346.339 2.409 10 10 EECELO CS(=O)(=O)c1cccnc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001339346256 1336990970 /nfs/dbraw/zinc/99/09/70/1336990970.db2.gz QPTJDWLKFWYNDH-UHFFFAOYSA-N 1 2 345.468 2.375 10 10 EECELO COc1cc(Cl)cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1O ZINC000184675161 465016566 /nfs/dbraw/zinc/01/65/66/465016566.db2.gz QDOJIJBMBWCDOL-HNNXBMFYSA-N 1 2 346.814 2.466 10 10 EECELO COc1cc(Cl)cc(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1O ZINC000184675161 465016570 /nfs/dbraw/zinc/01/65/70/465016570.db2.gz QDOJIJBMBWCDOL-HNNXBMFYSA-N 1 2 346.814 2.466 10 10 EECELO C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1O ZINC000868436165 1201811837 /nfs/dbraw/zinc/81/18/37/1201811837.db2.gz KAIPYZSZQSIDKA-KBPBESRZSA-N 1 2 326.400 2.426 10 10 EECELO Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC001338306966 1336838008 /nfs/dbraw/zinc/83/80/08/1336838008.db2.gz BDLXHPSXCNDHAC-UHFFFAOYSA-N 1 2 342.443 2.080 10 10 EECELO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccc(O)cc1O ZINC000910943785 787147154 /nfs/dbraw/zinc/14/71/54/787147154.db2.gz OSBORCWZPLQCFY-GFCCVEGCSA-N 1 2 329.278 2.104 10 10 EECELO CCOC(=O)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000194492114 463872655 /nfs/dbraw/zinc/87/26/55/463872655.db2.gz UZNLDBZXCJSXKK-GFCCVEGCSA-N 1 2 328.359 2.410 10 10 EECELO CCOc1cccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190159159 464604124 /nfs/dbraw/zinc/60/41/24/464604124.db2.gz JQPWPSZZUKXUKK-UONOGXRCSA-N 1 2 333.388 2.444 10 10 EECELO CCOc1cccc(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190159159 464604127 /nfs/dbraw/zinc/60/41/27/464604127.db2.gz JQPWPSZZUKXUKK-UONOGXRCSA-N 1 2 333.388 2.444 10 10 EECELO C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1O ZINC000868436180 1201812117 /nfs/dbraw/zinc/81/21/17/1201812117.db2.gz KAIPYZSZQSIDKA-UONOGXRCSA-N 1 2 326.400 2.426 10 10 EECELO C/C(=C/C(=O)NCc1c(O)ccc2c1CCCC2)C[NH+]1CCOCC1 ZINC000901133836 1235264622 /nfs/dbraw/zinc/26/46/22/1235264622.db2.gz YQDNCAWCEYLMTL-QINSGFPZSA-N 1 2 344.455 2.166 10 10 EECELO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715716220 795483707 /nfs/dbraw/zinc/48/37/07/795483707.db2.gz DJUYZBKODMHJSV-CPCISQLKSA-N 1 2 331.185 2.051 10 10 EECELO Cc1cc(NCCNC(=O)c2ccc(C)c(O)c2O)nc(C(C)C)[nH+]1 ZINC000529844036 448981849 /nfs/dbraw/zinc/98/18/49/448981849.db2.gz AGYAWUYGBSKYRH-UHFFFAOYSA-N 1 2 344.415 2.470 10 10 EECELO CCOc1cccc(C[N@@H+]2CCO[C@H](c3nnc(CC)[nH]3)C2)c1O ZINC000129218566 462696394 /nfs/dbraw/zinc/69/63/94/462696394.db2.gz BTYXZPZSGJQZRI-AWEZNQCLSA-N 1 2 332.404 2.045 10 10 EECELO CCOc1cccc(C[N@H+]2CCO[C@H](c3nnc(CC)[nH]3)C2)c1O ZINC000129218566 462696396 /nfs/dbraw/zinc/69/63/96/462696396.db2.gz BTYXZPZSGJQZRI-AWEZNQCLSA-N 1 2 332.404 2.045 10 10 EECELO CCOc1cccc(C[N@@H+]2CCO[C@H](c3n[nH]c(CC)n3)C2)c1O ZINC000129218566 462696399 /nfs/dbraw/zinc/69/63/99/462696399.db2.gz BTYXZPZSGJQZRI-AWEZNQCLSA-N 1 2 332.404 2.045 10 10 EECELO CCOc1cccc(C[N@H+]2CCO[C@H](c3n[nH]c(CC)n3)C2)c1O ZINC000129218566 462696402 /nfs/dbraw/zinc/69/64/02/462696402.db2.gz BTYXZPZSGJQZRI-AWEZNQCLSA-N 1 2 332.404 2.045 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1O ZINC000170812319 463711092 /nfs/dbraw/zinc/71/10/92/463711092.db2.gz HQKQKKJODDQYIK-OAHLLOKOSA-N 1 2 338.835 2.155 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1O ZINC000170812319 463711098 /nfs/dbraw/zinc/71/10/98/463711098.db2.gz HQKQKKJODDQYIK-OAHLLOKOSA-N 1 2 338.835 2.155 10 10 EECELO COc1ccc(O)c(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000180747582 464384435 /nfs/dbraw/zinc/38/44/35/464384435.db2.gz PJPJMWCFXGUBKM-PBHICJAKSA-N 1 2 333.384 2.318 10 10 EECELO COc1ccc(O)c(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000180747582 464384441 /nfs/dbraw/zinc/38/44/41/464384441.db2.gz PJPJMWCFXGUBKM-PBHICJAKSA-N 1 2 333.384 2.318 10 10 EECELO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294850472 464624796 /nfs/dbraw/zinc/62/47/96/464624796.db2.gz ISBHUUQRHCUTDR-HNNXBMFYSA-N 1 2 342.798 2.008 10 10 EECELO O=S1(=O)CCC(CC[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000776252654 577455808 /nfs/dbraw/zinc/45/58/08/577455808.db2.gz VQJPMLRSPKBOMQ-UHFFFAOYSA-N 1 2 335.828 2.489 10 10 EECELO OCCC1([NH2+]Cc2cccc(Br)c2O)CCOCC1 ZINC000761993523 577693010 /nfs/dbraw/zinc/69/30/10/577693010.db2.gz UEBKLXVTXWPPTC-UHFFFAOYSA-N 1 2 330.222 2.176 10 10 EECELO COc1ccc(O)c(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1 ZINC000186474728 684537334 /nfs/dbraw/zinc/53/73/34/684537334.db2.gz RWYHDTPJYVWZNU-UHFFFAOYSA-N 1 2 340.383 2.388 10 10 EECELO COC(=O)C(C)(C)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000779191635 1209271448 /nfs/dbraw/zinc/27/14/48/1209271448.db2.gz SEAFNMMATPLFDT-UHFFFAOYSA-N 1 2 326.824 2.115 10 10 EECELO CCOC(=O)C[N@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1O ZINC000852193232 1292035725 /nfs/dbraw/zinc/03/57/25/1292035725.db2.gz ZNQOKTCGXITLAR-AWEZNQCLSA-N 1 2 329.343 2.182 10 10 EECELO CCOC(=O)C[N@@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1O ZINC000852193232 1292035742 /nfs/dbraw/zinc/03/57/42/1292035742.db2.gz ZNQOKTCGXITLAR-AWEZNQCLSA-N 1 2 329.343 2.182 10 10 EECELO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000861891822 1295583562 /nfs/dbraw/zinc/58/35/62/1295583562.db2.gz LLSXCFXASPXXGH-INIZCTEOSA-N 1 2 348.406 2.458 10 10 EECELO COc1ccc(C[NH2+]CCN(C)C(=O)C(F)C(F)(F)F)cc1C ZINC001567498404 1342770483 /nfs/dbraw/zinc/77/04/83/1342770483.db2.gz HDVJRXATJMYPPN-ZDUSSCGKSA-N 1 2 336.329 2.452 10 10 EECELO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](F)C(F)(F)F)cc1C ZINC001567498404 1342770486 /nfs/dbraw/zinc/77/04/86/1342770486.db2.gz HDVJRXATJMYPPN-ZDUSSCGKSA-N 1 2 336.329 2.452 10 10 EECELO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1 ZINC000898881749 693510892 /nfs/dbraw/zinc/51/08/92/693510892.db2.gz OXUQYQXPESGODW-KRWDZBQOSA-N 1 2 338.411 2.291 10 10 EECELO CC[C@H]([NH2+]CCC(=O)NCCC(=O)OC)c1cccc(Cl)c1O ZINC000858542107 1294149354 /nfs/dbraw/zinc/14/93/54/1294149354.db2.gz RRODHNLNKVFSPY-ZDUSSCGKSA-N 1 2 342.823 2.156 10 10 EECELO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000861891543 1295581478 /nfs/dbraw/zinc/58/14/78/1295581478.db2.gz CDUJHAWRCCZDLY-KRWDZBQOSA-N 1 2 348.406 2.458 10 10 EECELO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2ncnn2C)c1 ZINC000788972143 807782013 /nfs/dbraw/zinc/78/20/13/807782013.db2.gz WAVLPVGYIPPTTR-SECBINFHSA-N 1 2 325.210 2.442 10 10 EECELO CN1CCCc2cc(CNC(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)ccc21 ZINC000378100453 530065835 /nfs/dbraw/zinc/06/58/35/530065835.db2.gz PGTFPHZGOODHQB-HNNXBMFYSA-N 1 2 339.443 2.149 10 10 EECELO CN1CCCc2cc(CNC(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)ccc21 ZINC000378100453 530065836 /nfs/dbraw/zinc/06/58/36/530065836.db2.gz PGTFPHZGOODHQB-HNNXBMFYSA-N 1 2 339.443 2.149 10 10 EECELO COc1c(O)c(C[N@@H+]2CCOC[C@H]2CC(F)F)ccc1[N+](=O)[O-] ZINC000289783425 464094657 /nfs/dbraw/zinc/09/46/57/464094657.db2.gz RSNRXIILXIIPFO-SNVBAGLBSA-N 1 2 332.303 2.165 10 10 EECELO COc1c(O)c(C[N@H+]2CCOC[C@H]2CC(F)F)ccc1[N+](=O)[O-] ZINC000289783425 464094661 /nfs/dbraw/zinc/09/46/61/464094661.db2.gz RSNRXIILXIIPFO-SNVBAGLBSA-N 1 2 332.303 2.165 10 10 EECELO COc1cc(O)c(C[N@@H+](C)Cc2nc([C@H](C)OC)no2)cc1OC ZINC000271083120 464278871 /nfs/dbraw/zinc/27/88/71/464278871.db2.gz JQJKCWMVLXZDJZ-JTQLQIEISA-N 1 2 337.376 2.132 10 10 EECELO COc1cc(O)c(C[N@H+](C)Cc2nc([C@H](C)OC)no2)cc1OC ZINC000271083120 464278880 /nfs/dbraw/zinc/27/88/80/464278880.db2.gz JQJKCWMVLXZDJZ-JTQLQIEISA-N 1 2 337.376 2.132 10 10 EECELO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367907141 466554108 /nfs/dbraw/zinc/55/41/08/466554108.db2.gz OSUHNGAQBJOYLK-OAHLLOKOSA-N 1 2 337.427 2.143 10 10 EECELO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367907141 466554113 /nfs/dbraw/zinc/55/41/13/466554113.db2.gz OSUHNGAQBJOYLK-OAHLLOKOSA-N 1 2 337.427 2.143 10 10 EECELO O=C(NCc1ccc(N2CCCC2)cc1)C1([NH+]2CCOCC2)CCC1 ZINC000364687202 466711509 /nfs/dbraw/zinc/71/15/09/466711509.db2.gz SOGUKJKZCKETFA-UHFFFAOYSA-N 1 2 343.471 2.158 10 10 EECELO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000844422024 789085687 /nfs/dbraw/zinc/08/56/87/789085687.db2.gz KIJFYLOIKYZHNY-OAHLLOKOSA-N 1 2 331.460 2.012 10 10 EECELO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000844422024 789085697 /nfs/dbraw/zinc/08/56/97/789085697.db2.gz KIJFYLOIKYZHNY-OAHLLOKOSA-N 1 2 331.460 2.012 10 10 EECELO Cc1cc(N(C)C)ccc1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845536880 789837637 /nfs/dbraw/zinc/83/76/37/789837637.db2.gz RDUODHZZFRVJJD-UHFFFAOYSA-N 1 2 326.444 2.453 10 10 EECELO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Br)c(F)cc1O ZINC000846193515 790086191 /nfs/dbraw/zinc/08/61/91/790086191.db2.gz MSFKFZAAJXNGCK-YMTOWFKASA-N 1 2 348.212 2.486 10 10 EECELO CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC001540417211 1124081912 /nfs/dbraw/zinc/08/19/12/1124081912.db2.gz CIOHFWGCTIEUNN-MSOLQXFVSA-N 1 2 333.476 2.258 10 10 EECELO CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC001540417211 1124081917 /nfs/dbraw/zinc/08/19/17/1124081917.db2.gz CIOHFWGCTIEUNN-MSOLQXFVSA-N 1 2 333.476 2.258 10 10 EECELO COc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000092040443 533484659 /nfs/dbraw/zinc/48/46/59/533484659.db2.gz VZATXXCIRBTKGN-CABCVRRESA-N 1 2 333.384 2.318 10 10 EECELO COc1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000092040443 533484666 /nfs/dbraw/zinc/48/46/66/533484666.db2.gz VZATXXCIRBTKGN-CABCVRRESA-N 1 2 333.384 2.318 10 10 EECELO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cc(Br)cc(F)c1O ZINC000527950725 317291697 /nfs/dbraw/zinc/29/16/97/317291697.db2.gz ATRKTVWIBZXNPZ-AQUOVQTQSA-N 1 2 348.212 2.484 10 10 EECELO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCOc3cc(N(C)C)ccc31)CC2 ZINC000625916173 469434780 /nfs/dbraw/zinc/43/47/80/469434780.db2.gz MHDZOEXXDGAXGL-CQSZACIVSA-N 1 2 340.427 2.246 10 10 EECELO CN(Cc1ccccc1O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924765608 1206028586 /nfs/dbraw/zinc/02/85/86/1206028586.db2.gz NIAMYAZBYFHZKE-UHFFFAOYSA-N 1 2 334.445 2.252 10 10 EECELO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cnc(N(C)C)nc2)c1O ZINC000780325434 1258793730 /nfs/dbraw/zinc/79/37/30/1258793730.db2.gz FSGNMYDDMRNQJS-UHFFFAOYSA-N 1 2 332.379 2.222 10 10 EECELO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cnc(N(C)C)nc2)c1O ZINC000780325434 1258793736 /nfs/dbraw/zinc/79/37/36/1258793736.db2.gz FSGNMYDDMRNQJS-UHFFFAOYSA-N 1 2 332.379 2.222 10 10 EECELO COCc1n[nH]c(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)n1 ZINC000850360519 1277197117 /nfs/dbraw/zinc/19/71/17/1277197117.db2.gz KKLGDYQXSXKJRM-UHFFFAOYSA-N 1 2 334.420 2.253 10 10 EECELO C[C@@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1O ZINC001560074978 1342506536 /nfs/dbraw/zinc/50/65/36/1342506536.db2.gz NHFVCILGBSQKEL-LLVKDONJSA-N 1 2 331.397 2.065 10 10 EECELO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C(=O)NC ZINC000834915403 759746044 /nfs/dbraw/zinc/74/60/44/759746044.db2.gz YOUITBSWFMBBJY-CPCISQLKSA-N 1 2 333.201 2.469 10 10 EECELO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC000823776355 787931732 /nfs/dbraw/zinc/93/17/32/787931732.db2.gz NZVCNZLMNLVMLC-KBRIMQKVSA-N 1 2 340.427 2.165 10 10 EECELO Cc1cn2c([nH+]1)CN(C(=O)NCc1ccc3c(c1)CCCN3C)CC2 ZINC000376296776 466904247 /nfs/dbraw/zinc/90/42/47/466904247.db2.gz SNRFJPLHRPFXIY-UHFFFAOYSA-N 1 2 339.443 2.299 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)[C@H](C)c3cncnc3)CC2)cc1 ZINC000764469681 577736925 /nfs/dbraw/zinc/73/69/25/577736925.db2.gz FGBYSTWTSACWBK-CQSZACIVSA-N 1 2 340.427 2.374 10 10 EECELO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000825709738 1198769599 /nfs/dbraw/zinc/76/95/99/1198769599.db2.gz AMSTVAGOZSPJGZ-DVVUODLYSA-N 1 2 328.206 2.442 10 10 EECELO COc1ccc(O)c([C@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000778914321 1208400196 /nfs/dbraw/zinc/40/01/96/1208400196.db2.gz HUPSZYWXFCTKGA-LBPRGKRZSA-N 1 2 338.367 2.473 10 10 EECELO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000862536738 1295870944 /nfs/dbraw/zinc/87/09/44/1295870944.db2.gz UAWITJZKMDDCGX-INIZCTEOSA-N 1 2 347.846 2.431 10 10 EECELO CCOc1ccc(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cc1 ZINC001623429912 1352396865 /nfs/dbraw/zinc/39/68/65/1352396865.db2.gz QQCGMEDZBFDQEN-UHFFFAOYSA-N 1 2 328.416 2.090 10 10 EECELO COCCOCCN1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000846117404 790056042 /nfs/dbraw/zinc/05/60/42/790056042.db2.gz POODOAGFXSLWHO-PLNGDYQASA-N 1 2 347.503 2.046 10 10 EECELO Oc1c(F)cc(Br)cc1C[NH2+]CCCn1ccnn1 ZINC000715776714 795500901 /nfs/dbraw/zinc/50/09/01/795500901.db2.gz DEWYJRWVJZSTQW-UHFFFAOYSA-N 1 2 329.173 2.065 10 10 EECELO CN1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCC1=O ZINC000715791331 795504448 /nfs/dbraw/zinc/50/44/48/795504448.db2.gz HOAYCWIEDPYFLC-SNVBAGLBSA-N 1 2 331.185 2.004 10 10 EECELO Cc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c(O)c1O ZINC000177672235 463762358 /nfs/dbraw/zinc/76/23/58/463762358.db2.gz PTLSECAXBOYKIR-UHFFFAOYSA-N 1 2 327.384 2.200 10 10 EECELO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768907566 577565495 /nfs/dbraw/zinc/56/54/95/577565495.db2.gz ZZWRXTIVAGGPOA-MRXNPFEDSA-N 1 2 346.431 2.296 10 10 EECELO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768907566 577565496 /nfs/dbraw/zinc/56/54/96/577565496.db2.gz ZZWRXTIVAGGPOA-MRXNPFEDSA-N 1 2 346.431 2.296 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c1O ZINC000764448692 577736213 /nfs/dbraw/zinc/73/62/13/577736213.db2.gz UUQKWSRKBIDTOX-ZDUSSCGKSA-N 1 2 338.791 2.275 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c1O ZINC000764448692 577736214 /nfs/dbraw/zinc/73/62/14/577736214.db2.gz UUQKWSRKBIDTOX-ZDUSSCGKSA-N 1 2 338.791 2.275 10 10 EECELO C[C@H]([NH2+]Cc1cn(C)nn1)c1cc(Br)c(F)cc1O ZINC000757654256 577861973 /nfs/dbraw/zinc/86/19/73/577861973.db2.gz DGZQDTSRBLMOFF-ZETCQYMHSA-N 1 2 329.173 2.273 10 10 EECELO O=C1OC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3O)C[C@@H]12 ZINC000895415315 684592875 /nfs/dbraw/zinc/59/28/75/684592875.db2.gz UAYUFBZJCVOZCM-PSASIEDQSA-N 1 2 346.608 2.413 10 10 EECELO O=C1OC[C@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3O)C[C@@H]12 ZINC000895415315 684592878 /nfs/dbraw/zinc/59/28/78/684592878.db2.gz UAYUFBZJCVOZCM-PSASIEDQSA-N 1 2 346.608 2.413 10 10 EECELO COc1ccc(N2CC[NH+](Cc3cnc(OC)nc3C)CC2)cc1 ZINC000799107798 1305156684 /nfs/dbraw/zinc/15/66/84/1305156684.db2.gz REFQEYPRCKINTP-UHFFFAOYSA-N 1 2 328.416 2.124 10 10 EECELO Nc1ccc(CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000841705122 1315600721 /nfs/dbraw/zinc/60/07/21/1315600721.db2.gz MDWDVSYNOCUWCZ-UHFFFAOYSA-N 1 2 339.443 2.175 10 10 EECELO O=C1NCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708173088 786763779 /nfs/dbraw/zinc/76/37/79/786763779.db2.gz VEZUOBGIYZLVDF-JTQLQIEISA-N 1 2 333.613 2.176 10 10 EECELO CC1(O)CCN(c2cc(N3Cc4cccc(O)c4C3)nc[nH+]2)CC1 ZINC000866117919 1201438369 /nfs/dbraw/zinc/43/83/69/1201438369.db2.gz SSGXEDFCUFIYGA-UHFFFAOYSA-N 1 2 326.400 2.054 10 10 EECELO CC1(O)CCN(c2cc(N3Cc4cccc(O)c4C3)[nH+]cn2)CC1 ZINC000866117919 1201438370 /nfs/dbraw/zinc/43/83/70/1201438370.db2.gz SSGXEDFCUFIYGA-UHFFFAOYSA-N 1 2 326.400 2.054 10 10 EECELO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cccc(Br)c1O ZINC000841891608 1315631052 /nfs/dbraw/zinc/63/10/52/1315631052.db2.gz MOQPFNVILMTNQE-RYUDHWBXSA-N 1 2 343.265 2.042 10 10 EECELO CN(CCCNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc[nH+]1 ZINC001636581003 1352666832 /nfs/dbraw/zinc/66/68/32/1352666832.db2.gz OXECPQZEHVGLEF-VQHVLOKHSA-N 1 2 327.384 2.149 10 10 EECELO CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001540417214 1124082980 /nfs/dbraw/zinc/08/29/80/1124082980.db2.gz CIOHFWGCTIEUNN-ZWKOTPCHSA-N 1 2 333.476 2.258 10 10 EECELO CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC001540417214 1124082985 /nfs/dbraw/zinc/08/29/85/1124082985.db2.gz CIOHFWGCTIEUNN-ZWKOTPCHSA-N 1 2 333.476 2.258 10 10 EECELO CC(C)n1ncnc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000279953404 464169942 /nfs/dbraw/zinc/16/99/42/464169942.db2.gz HTBRHUTVFLUFAO-UHFFFAOYSA-N 1 2 329.448 2.328 10 10 EECELO CC(C)n1ncnc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000279953404 464169945 /nfs/dbraw/zinc/16/99/45/464169945.db2.gz HTBRHUTVFLUFAO-UHFFFAOYSA-N 1 2 329.448 2.328 10 10 EECELO CN1C[C@@H](CC[NH2+]Cc2cccc(Br)c2O)CC1=O ZINC000723538055 676582004 /nfs/dbraw/zinc/58/20/04/676582004.db2.gz XHZPWJMSNINTCF-JTQLQIEISA-N 1 2 327.222 2.113 10 10 EECELO Cn1ncc(Br)c1C[NH2+]Cc1ccc(F)c(F)c1O ZINC000703394910 1196459472 /nfs/dbraw/zinc/45/94/72/1196459472.db2.gz NONHIIBWJNBUPM-UHFFFAOYSA-N 1 2 332.148 2.456 10 10 EECELO COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cc1 ZINC000874110414 1198794901 /nfs/dbraw/zinc/79/49/01/1198794901.db2.gz WUUSFOHWCIEHAN-IAGOWNOFSA-N 1 2 340.427 2.261 10 10 EECELO COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cc1 ZINC000874110414 1198794902 /nfs/dbraw/zinc/79/49/02/1198794902.db2.gz WUUSFOHWCIEHAN-IAGOWNOFSA-N 1 2 340.427 2.261 10 10 EECELO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cccc(Br)c1O ZINC000714343033 794922801 /nfs/dbraw/zinc/92/28/01/794922801.db2.gz UJITZSLMIZXBCE-LLVKDONJSA-N 1 2 348.262 2.212 10 10 EECELO COCC[C@H](COC)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715818157 795537957 /nfs/dbraw/zinc/53/79/57/795537957.db2.gz MOOZDVZBIUPALY-LLVKDONJSA-N 1 2 336.201 2.435 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000069846208 463337738 /nfs/dbraw/zinc/33/77/38/463337738.db2.gz UXIAFLKZFUMYHC-HUUCEWRRSA-N 1 2 347.459 2.483 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1O ZINC000170812315 463711174 /nfs/dbraw/zinc/71/11/74/463711174.db2.gz HQKQKKJODDQYIK-HNNXBMFYSA-N 1 2 338.835 2.155 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1O ZINC000170812315 463711182 /nfs/dbraw/zinc/71/11/82/463711182.db2.gz HQKQKKJODDQYIK-HNNXBMFYSA-N 1 2 338.835 2.155 10 10 EECELO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293973585 464428840 /nfs/dbraw/zinc/42/88/40/464428840.db2.gz QTXYGOGOWTYDRT-JTQLQIEISA-N 1 2 335.828 2.441 10 10 EECELO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293973585 464428843 /nfs/dbraw/zinc/42/88/43/464428843.db2.gz QTXYGOGOWTYDRT-JTQLQIEISA-N 1 2 335.828 2.441 10 10 EECELO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352496753 465535213 /nfs/dbraw/zinc/53/52/13/465535213.db2.gz ZHBSEVHCUZUWIY-UHFFFAOYSA-N 1 2 349.394 2.373 10 10 EECELO O=C1OCC[C@@H]2C[N@H+](Cc3cccc(Br)c3O)CCN12 ZINC000770391104 577595231 /nfs/dbraw/zinc/59/52/31/577595231.db2.gz KVRZWUCEYLZAHE-LLVKDONJSA-N 1 2 341.205 2.181 10 10 EECELO O=C1OCC[C@@H]2C[N@@H+](Cc3cccc(Br)c3O)CCN12 ZINC000770391104 577595232 /nfs/dbraw/zinc/59/52/32/577595232.db2.gz KVRZWUCEYLZAHE-LLVKDONJSA-N 1 2 341.205 2.181 10 10 EECELO CN1C[C@H](CC[NH2+]Cc2cccc(Br)c2O)CC1=O ZINC000723538058 676581996 /nfs/dbraw/zinc/58/19/96/676581996.db2.gz XHZPWJMSNINTCF-SNVBAGLBSA-N 1 2 327.222 2.113 10 10 EECELO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000848557506 1338721106 /nfs/dbraw/zinc/72/11/06/1338721106.db2.gz FJVZTTOOPCHYGL-ISVAXAHUSA-N 1 2 336.201 2.342 10 10 EECELO CCN1OC[C@H]([N@H+](CC)Cc2cc(Br)ccc2O)C1=O ZINC001652595693 1354096863 /nfs/dbraw/zinc/09/68/63/1354096863.db2.gz LPSRHTKVYNREJC-LBPRGKRZSA-N 1 2 343.221 2.139 10 10 EECELO CCN1OC[C@H]([N@@H+](CC)Cc2cc(Br)ccc2O)C1=O ZINC001652595693 1354096867 /nfs/dbraw/zinc/09/68/67/1354096867.db2.gz LPSRHTKVYNREJC-LBPRGKRZSA-N 1 2 343.221 2.139 10 10 EECELO COCC[C@@H](COC)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715818160 795537992 /nfs/dbraw/zinc/53/79/92/795537992.db2.gz MOOZDVZBIUPALY-NSHDSACASA-N 1 2 336.201 2.435 10 10 EECELO COc1cccc(O)c1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000770350407 577594413 /nfs/dbraw/zinc/59/44/13/577594413.db2.gz GVSHUMUCKIEACB-CZUORRHYSA-N 1 2 333.384 2.318 10 10 EECELO COc1cccc(O)c1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000770350407 577594414 /nfs/dbraw/zinc/59/44/14/577594414.db2.gz 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Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(C)n1-c1ccccn1 ZINC000371282012 465685440 /nfs/dbraw/zinc/68/54/40/465685440.db2.gz XOWNMCNKRQGQKX-AWEZNQCLSA-N 1 2 335.411 2.500 10 10 EECELO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(C)n1-c1ccccn1 ZINC000371282012 465685449 /nfs/dbraw/zinc/68/54/49/465685449.db2.gz XOWNMCNKRQGQKX-AWEZNQCLSA-N 1 2 335.411 2.500 10 10 EECELO O=S1(=O)CC(C2C[NH+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000895431956 684596626 /nfs/dbraw/zinc/59/66/26/684596626.db2.gz YJFOUYQPZJHXRI-UHFFFAOYSA-N 1 2 334.485 2.153 10 10 EECELO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000844394531 789062742 /nfs/dbraw/zinc/06/27/42/789062742.db2.gz UWDIPWKVUVMOTM-ZWKOTPCHSA-N 1 2 342.439 2.358 10 10 EECELO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000844394531 789062748 /nfs/dbraw/zinc/06/27/48/789062748.db2.gz UWDIPWKVUVMOTM-ZWKOTPCHSA-N 1 2 342.439 2.358 10 10 EECELO CC(C)c1ncc2c(n1)CC[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000527614494 317230339 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343.393 2.045 10 10 EECELO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000827544905 1248409060 /nfs/dbraw/zinc/40/90/60/1248409060.db2.gz NSMGCYSOBPEPHI-GFCCVEGCSA-N 1 2 329.803 2.372 10 10 EECELO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000827544905 1248409067 /nfs/dbraw/zinc/40/90/67/1248409067.db2.gz NSMGCYSOBPEPHI-GFCCVEGCSA-N 1 2 329.803 2.372 10 10 EECELO Cn1cc(Br)c(C[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000708393757 786806937 /nfs/dbraw/zinc/80/69/37/786806937.db2.gz IRFNOAAERFLVBE-UHFFFAOYSA-N 1 2 332.148 2.456 10 10 EECELO CS(=O)(=O)c1cccnc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922070694 798819459 /nfs/dbraw/zinc/81/94/59/798819459.db2.gz LRBXODRRNDMGMZ-UHFFFAOYSA-N 1 2 332.425 2.100 10 10 EECELO COc1cc(O)c(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1OC ZINC000160243707 237235438 /nfs/dbraw/zinc/23/54/38/237235438.db2.gz XWMWZCISUDYPIV-HNNXBMFYSA-N 1 2 336.413 2.439 10 10 EECELO COc1cc(O)c(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1OC ZINC000160243707 237235444 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CN(C)c1ccc(C[NH2+]C2(c3ncccn3)CCOCC2)cc1F ZINC000923010128 788550080 /nfs/dbraw/zinc/55/00/80/788550080.db2.gz VMOCHTWMMJCKJK-UHFFFAOYSA-N 1 2 330.407 2.477 10 10 EECELO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000788972146 807782043 /nfs/dbraw/zinc/78/20/43/807782043.db2.gz WAVLPVGYIPPTTR-VIFPVBQESA-N 1 2 325.210 2.442 10 10 EECELO COc1cc(O)c(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)cc1OC ZINC000372927270 466640528 /nfs/dbraw/zinc/64/05/28/466640528.db2.gz UYHARZOKUZOJKC-QGZVFWFLSA-N 1 2 340.383 2.407 10 10 EECELO COc1ccc(C[NH2+]CC=CCNC(=O)c2[nH]nc(C)c2C)cc1C ZINC001268521219 1183171091 /nfs/dbraw/zinc/17/10/91/1183171091.db2.gz DTLFHKNBYHYTOU-WAYWQWQTSA-N 1 2 342.443 2.419 10 10 EECELO CCc1nnc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000810176788 1199332160 /nfs/dbraw/zinc/33/21/60/1199332160.db2.gz WMHDGWHKEUSJKI-UHFFFAOYSA-N 1 2 336.436 2.366 10 10 EECELO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)Cc2c[nH]nc21 ZINC000931454639 1207384850 /nfs/dbraw/zinc/38/48/50/1207384850.db2.gz 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O=C(NCc1c(O)cccc1O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001647268788 1353212944 /nfs/dbraw/zinc/21/29/44/1353212944.db2.gz CIACAMMXFBKJTK-INIZCTEOSA-N 1 2 341.411 2.164 10 10 EECELO O=C(NCc1c(O)cccc1O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001647268788 1353212946 /nfs/dbraw/zinc/21/29/46/1353212946.db2.gz CIACAMMXFBKJTK-INIZCTEOSA-N 1 2 341.411 2.164 10 10 EECELO OCCn1ncc2c1nc[nH+]c2NCc1ccc(N2CCCC2)cc1 ZINC000097200249 463346149 /nfs/dbraw/zinc/34/61/49/463346149.db2.gz JYWNMSOZKJZXNO-UHFFFAOYSA-N 1 2 338.415 2.031 10 10 EECELO COc1ccc2c(c1)[C@@]1(C)CN(C3CCCCC3)C(=O)[C@]1([NH3+])N2C ZINC000048533396 462917042 /nfs/dbraw/zinc/91/70/42/462917042.db2.gz FDSAOMXHFZKROP-MOPGFXCFSA-N 1 2 329.444 2.233 10 10 EECELO Cc1cc(Br)cc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c1O ZINC000282417143 464811351 /nfs/dbraw/zinc/81/13/51/464811351.db2.gz DODXKWFKRBNCOJ-JTQLQIEISA-N 1 2 327.222 2.126 10 10 EECELO Cc1cc(Br)cc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c1O ZINC000282417143 464811356 /nfs/dbraw/zinc/81/13/56/464811356.db2.gz 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C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Br)cc(F)c1O ZINC000858494725 1294133947 /nfs/dbraw/zinc/13/39/47/1294133947.db2.gz MXFDZSYMKPRMDP-ZKWXMUAHSA-N 1 2 331.185 2.208 10 10 EECELO CO[C@@](C)(CO)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000848557503 1338720975 /nfs/dbraw/zinc/72/09/75/1338720975.db2.gz FJVZTTOOPCHYGL-AMIZOPFISA-N 1 2 336.201 2.342 10 10 EECELO O=C(Cc1ccc(O)c(O)c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001618738290 1352352803 /nfs/dbraw/zinc/35/28/03/1352352803.db2.gz JFOHBUQIRVWFLS-UHFFFAOYSA-N 1 2 342.395 2.111 10 10 EECELO O=C1NCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708173090 786764492 /nfs/dbraw/zinc/76/44/92/786764492.db2.gz VEZUOBGIYZLVDF-SNVBAGLBSA-N 1 2 333.613 2.176 10 10 EECELO COc1ccc(N2CCC(NC(=O)Cc3[nH]c[nH+]c3C)CC2)cc1 ZINC001442925334 1097336700 /nfs/dbraw/zinc/33/67/00/1097336700.db2.gz FOMYKCNBDFMESK-UHFFFAOYSA-N 1 2 328.416 2.054 10 10 EECELO O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000096891462 463300928 /nfs/dbraw/zinc/30/09/28/463300928.db2.gz FFQFOFASKUWOHT-RVDMUPIBSA-N 1 2 340.408 2.175 10 10 EECELO CNC(=O)CCOC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775736788 577444208 /nfs/dbraw/zinc/44/42/08/577444208.db2.gz JWOZSHGJFIEOCO-UHFFFAOYSA-N 1 2 344.814 2.302 10 10 EECELO O=C(Cc1ccc(O)c(O)c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001626013601 1190896520 /nfs/dbraw/zinc/89/65/20/1190896520.db2.gz VOHGTXXEBWBSFX-UHFFFAOYSA-N 1 2 341.411 2.342 10 10 EECELO CC(C)n1ncnc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000865427745 1198212568 /nfs/dbraw/zinc/21/25/68/1198212568.db2.gz XMWJFCAWWNFBSD-UHFFFAOYSA-N 1 2 347.438 2.249 10 10 EECELO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)c1O ZINC000879044529 1200824127 /nfs/dbraw/zinc/82/41/27/1200824127.db2.gz DQFKZTCWRBSMGV-CQSZACIVSA-N 1 2 342.798 2.284 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)c1O ZINC001195810540 1283759664 /nfs/dbraw/zinc/75/96/64/1283759664.db2.gz TUZISLJNDNKROW-IINYFYTJSA-N 1 2 338.791 2.179 10 10 EECELO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)c1O ZINC001195810540 1283759674 /nfs/dbraw/zinc/75/96/74/1283759674.db2.gz TUZISLJNDNKROW-IINYFYTJSA-N 1 2 338.791 2.179 10 10 EECELO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)cc(F)c1O ZINC000858522681 1294142039 /nfs/dbraw/zinc/14/20/39/1294142039.db2.gz HMPLWHOZHRTRMV-MWLCHTKSSA-N 1 2 347.228 2.275 10 10 EECELO CN(C)c1ccc(CN(C)C(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000845114821 789582898 /nfs/dbraw/zinc/58/28/98/789582898.db2.gz NHDXFGHWICGYDZ-UHFFFAOYSA-N 1 2 326.444 2.487 10 10 EECELO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3cc(C)[nH]n3)CC2)c1O ZINC000187271696 464112389 /nfs/dbraw/zinc/11/23/89/464112389.db2.gz WLTBDRUWONLKLL-UHFFFAOYSA-N 1 2 332.379 2.088 10 10 EECELO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000184723063 465021997 /nfs/dbraw/zinc/02/19/97/465021997.db2.gz CDBNGOUOEYYDSE-QZTJIDSGSA-N 1 2 342.439 2.013 10 10 EECELO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000184723063 465022001 /nfs/dbraw/zinc/02/20/01/465022001.db2.gz CDBNGOUOEYYDSE-QZTJIDSGSA-N 1 2 342.439 2.013 10 10 EECELO COc1cc(O)c(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)cc1OC ZINC000372927266 466640039 /nfs/dbraw/zinc/64/00/39/466640039.db2.gz UYHARZOKUZOJKC-KRWDZBQOSA-N 1 2 340.383 2.407 10 10 EECELO COc1ccc([NH+]2CCC(NC(=O)N3CCOCC[C@H]3C)CC2)cc1 ZINC000775428853 577437143 /nfs/dbraw/zinc/43/71/43/577437143.db2.gz GDPWOVZOOHTRLM-OAHLLOKOSA-N 1 2 347.459 2.484 10 10 EECELO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1cc2c(cc1O)OCO2 ZINC000093382862 1214869770 /nfs/dbraw/zinc/86/97/70/1214869770.db2.gz OMWVQCXZYLKNLF-UHFFFAOYSA-N 1 2 340.339 2.198 10 10 EECELO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1cc2c(cc1O)OCO2 ZINC000093382862 1214869774 /nfs/dbraw/zinc/86/97/74/1214869774.db2.gz OMWVQCXZYLKNLF-UHFFFAOYSA-N 1 2 340.339 2.198 10 10 EECELO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3nc(N)n[nH]3)CC2)c1O ZINC000852056803 1291974826 /nfs/dbraw/zinc/97/48/26/1291974826.db2.gz OVIASYOXQQQWOA-UHFFFAOYSA-N 1 2 349.822 2.328 10 10 EECELO COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)cc1 ZINC000855223343 1293116614 /nfs/dbraw/zinc/11/66/14/1293116614.db2.gz GQCAIMBAULLGMD-GJZGRUSLSA-N 1 2 328.416 2.238 10 10 EECELO CC[C@@H]([NH2+]CCC(=O)NCCC(=O)OC)c1cccc(Cl)c1O ZINC000858542106 1294149563 /nfs/dbraw/zinc/14/95/63/1294149563.db2.gz RRODHNLNKVFSPY-CYBMUJFWSA-N 1 2 342.823 2.156 10 10 EECELO COC[C@]1(C)C[N@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000862550990 1295877397 /nfs/dbraw/zinc/87/73/97/1295877397.db2.gz IYNHAUOLFNZOBX-AWEZNQCLSA-N 1 2 330.222 2.392 10 10 EECELO COC[C@]1(C)C[N@@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000862550990 1295877410 /nfs/dbraw/zinc/87/74/10/1295877410.db2.gz IYNHAUOLFNZOBX-AWEZNQCLSA-N 1 2 330.222 2.392 10 10 EECELO C[C@H]([NH2+]CCOCCCO)c1cc(Br)cc(F)c1O ZINC001325887942 1333986033 /nfs/dbraw/zinc/98/60/33/1333986033.db2.gz OROHDIUFEWXIQC-VIFPVBQESA-N 1 2 336.201 2.343 10 10 EECELO COCCC(=O)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293572081 464412350 /nfs/dbraw/zinc/41/23/50/464412350.db2.gz JBDIRWFIHQCXMX-UHFFFAOYSA-N 1 2 344.814 2.302 10 10 EECELO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898882727 693511379 /nfs/dbraw/zinc/51/13/79/693511379.db2.gz BHTYJVJTBSWFRA-CYBMUJFWSA-N 1 2 344.440 2.353 10 10 EECELO Cc1nc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nc(N)[nH+]1 ZINC000865452244 1198225969 /nfs/dbraw/zinc/22/59/69/1198225969.db2.gz FRLTYOALKDUVPD-GHMZBOCLSA-N 1 2 346.410 2.127 10 10 EECELO Cc1nc(N)nc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[nH+]1 ZINC000865452244 1198225976 /nfs/dbraw/zinc/22/59/76/1198225976.db2.gz FRLTYOALKDUVPD-GHMZBOCLSA-N 1 2 346.410 2.127 10 10 EECELO CC(C)OCC[NH+]1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001324030167 1333591766 /nfs/dbraw/zinc/59/17/66/1333591766.db2.gz XHDZVXSBWXHAEK-UHFFFAOYSA-N 1 2 347.419 2.030 10 10 EECELO Cc1csc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000184221019 782746578 /nfs/dbraw/zinc/74/65/78/782746578.db2.gz ZIQQKEWXROHPFL-CYBMUJFWSA-N 1 2 332.473 2.485 10 10 EECELO CN(C)c1ccc(CN(c2nc3c(cnn3C)c(N)[nH+]2)C2CC2)cc1 ZINC000278502739 463967662 /nfs/dbraw/zinc/96/76/62/463967662.db2.gz XKPCWORIRYATGB-UHFFFAOYSA-N 1 2 337.431 2.181 10 10 EECELO COc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c1O ZINC000761207045 577679088 /nfs/dbraw/zinc/67/90/88/577679088.db2.gz XFALXJLXLPTUTJ-GFCCVEGCSA-N 1 2 326.780 2.081 10 10 EECELO COc1cc(Cl)cc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)c1O ZINC000761207045 577679089 /nfs/dbraw/zinc/67/90/89/577679089.db2.gz XFALXJLXLPTUTJ-GFCCVEGCSA-N 1 2 326.780 2.081 10 10 EECELO COC(=O)/C=C/c1ccc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000079102829 675415694 /nfs/dbraw/zinc/41/56/94/675415694.db2.gz WBKKAFSYZZJEKH-HWKANZROSA-N 1 2 328.328 2.039 10 10 EECELO COC(=O)[C@@H](C[C@H]1CCCOC1)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895403318 684594146 /nfs/dbraw/zinc/59/41/46/684594146.db2.gz SMSHIDIZQPKZSX-UKRRQHHQSA-N 1 2 337.416 2.157 10 10 EECELO Cc1nocc1C[N@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267233856 1178562613 /nfs/dbraw/zinc/56/26/13/1178562613.db2.gz ULQUNHMHFQWTEH-UHFFFAOYSA-N 1 2 344.375 2.007 10 10 EECELO Cc1nocc1C[N@@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267233856 1178562617 /nfs/dbraw/zinc/56/26/17/1178562617.db2.gz ULQUNHMHFQWTEH-UHFFFAOYSA-N 1 2 344.375 2.007 10 10 EECELO Cc1oncc1C[N@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567321969 1342739592 /nfs/dbraw/zinc/73/95/92/1342739592.db2.gz LWLIDHLZNGBYLP-UHFFFAOYSA-N 1 2 344.375 2.007 10 10 EECELO Cc1oncc1C[N@@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567321969 1342739595 /nfs/dbraw/zinc/73/95/95/1342739595.db2.gz LWLIDHLZNGBYLP-UHFFFAOYSA-N 1 2 344.375 2.007 10 10 EECELO COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H](O)C[NH+]1CCOCC1 ZINC000817299214 784664559 /nfs/dbraw/zinc/66/45/59/784664559.db2.gz WSFKNNUBNMNPKH-ROUUACIJSA-N 1 2 348.487 2.023 10 10 EECELO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000824207914 788084809 /nfs/dbraw/zinc/08/48/09/788084809.db2.gz IMAKCTYPCSUDQT-HZPDHXFCSA-N 1 2 328.416 2.117 10 10 EECELO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000824207914 788084817 /nfs/dbraw/zinc/08/48/17/788084817.db2.gz IMAKCTYPCSUDQT-HZPDHXFCSA-N 1 2 328.416 2.117 10 10 EECELO Cc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c(C)n1-c1ccccn1 ZINC000804334200 803920117 /nfs/dbraw/zinc/92/01/17/803920117.db2.gz BDRDPMLDCBQEIH-HNNXBMFYSA-N 1 2 335.411 2.430 10 10 EECELO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000066699428 462921888 /nfs/dbraw/zinc/92/18/88/462921888.db2.gz ILUWDERGNSKJTQ-OAHLLOKOSA-N 1 2 335.448 2.035 10 10 EECELO CC(C)C(=O)N1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000728299220 576488668 /nfs/dbraw/zinc/48/86/68/576488668.db2.gz FIZNDHOYYGBFTL-UHFFFAOYSA-N 1 2 341.249 2.455 10 10 EECELO CN1C[C@@H](CC[NH2+]Cc2cc(Br)cc(F)c2O)CC1=O ZINC000723533118 1230590528 /nfs/dbraw/zinc/59/05/28/1230590528.db2.gz VZYAZZUFRDDNFI-VIFPVBQESA-N 1 2 345.212 2.252 10 10 EECELO C[C@H]1COC2(CCCC2)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852636891 1292150451 /nfs/dbraw/zinc/15/04/51/1292150451.db2.gz OUPFHGBCCGAINI-INIZCTEOSA-N 1 2 345.487 2.402 10 10 EECELO C[C@H]1COC2(CCCC2)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852636891 1292150455 /nfs/dbraw/zinc/15/04/55/1292150455.db2.gz OUPFHGBCCGAINI-INIZCTEOSA-N 1 2 345.487 2.402 10 10 EECELO Oc1c(Cl)cccc1C[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856535308 1293559371 /nfs/dbraw/zinc/55/93/71/1293559371.db2.gz VBLYUSNMMGWNJN-LSDHHAIUSA-N 1 2 345.830 2.396 10 10 EECELO Oc1c(Cl)cccc1C[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856535308 1293559380 /nfs/dbraw/zinc/55/93/80/1293559380.db2.gz VBLYUSNMMGWNJN-LSDHHAIUSA-N 1 2 345.830 2.396 10 10 EECELO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1c(F)ccc(O)c1O ZINC001650697958 1354027141 /nfs/dbraw/zinc/02/71/41/1354027141.db2.gz ZWFAYRZRLXZWEQ-UHFFFAOYSA-N 1 2 341.342 2.412 10 10 EECELO FC(F)C[C@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809712474 783329242 /nfs/dbraw/zinc/32/92/42/783329242.db2.gz OHACLGAVGIRVCE-INIZCTEOSA-N 1 2 326.387 2.379 10 10 EECELO FC(F)C[C@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809712474 783329250 /nfs/dbraw/zinc/32/92/50/783329250.db2.gz OHACLGAVGIRVCE-INIZCTEOSA-N 1 2 326.387 2.379 10 10 EECELO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821195149 786630996 /nfs/dbraw/zinc/63/09/96/786630996.db2.gz MUXNMQQKPNZGGX-ARFHVFGLSA-N 1 2 341.411 2.427 10 10 EECELO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821195149 786631004 /nfs/dbraw/zinc/63/10/04/786631004.db2.gz MUXNMQQKPNZGGX-ARFHVFGLSA-N 1 2 341.411 2.427 10 10 EECELO Oc1c(Br)cc(Cl)cc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000708193796 786764476 /nfs/dbraw/zinc/76/44/76/786764476.db2.gz WUKYNCIPSBPCLV-WDEREUQCSA-N 1 2 336.613 2.048 10 10 EECELO CCn1ncnc1C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000793345485 810258740 /nfs/dbraw/zinc/25/87/40/810258740.db2.gz BNSJNODDRAIFHL-UHFFFAOYSA-N 1 2 325.210 2.364 10 10 EECELO