smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)cc(CN2CCO[C@H](C[NH+](C)C)C2)c1O ZINC000183400086 395255461 /nfs/dbraw/zinc/25/54/61/395255461.db2.gz LXLSGTPZVHZQOR-CQSZACIVSA-N 1 0 298.814 2.116 10 10 CECERO CC[C@@H]([NH2+]CCCC(=O)OC)c1ccccc1O ZINC000037416256 173193326 /nfs/dbraw/zinc/19/33/26/173193326.db2.gz AGKOIWOZJZDJOE-GFCCVEGCSA-N 1 0 251.326 2.386 10 10 CECERO C=C(C=C1CCC[N@@H+]1C)C1SC(=S)N(C)C1=O ZINC000038644974 174150698 /nfs/dbraw/zinc/15/06/98/174150698.db2.gz IYSUEATZWRPJFI-FIFLTTCUSA-N 1 0 268.407 2.360 10 10 CECERO CCN(C[C@H]1CCCO1)c1c(F)cc(C[NH3+])cc1F ZINC000062712382 521269476 /nfs/dbraw/zinc/26/94/76/521269476.db2.gz FAPLICJACAPQDE-LLVKDONJSA-N 1 0 270.323 2.429 10 10 CECERO C[C@H]([NH3+])c1ccc(N2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000061693860 524864876 /nfs/dbraw/zinc/86/48/76/524864876.db2.gz FJSMGPMLXDMSPI-ONGXEEELSA-N 1 0 281.787 2.061 10 10 CECERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2CCCO)c1O ZINC000052761430 625901320 /nfs/dbraw/zinc/90/13/20/625901320.db2.gz CBSNCUNIAMBXLZ-CQSZACIVSA-N 1 0 295.354 2.471 10 10 CECERO COCC[N@@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1C ZINC000120810072 647542677 /nfs/dbraw/zinc/54/26/77/647542677.db2.gz CTQIVQRIEOOYNN-LBPRGKRZSA-N 1 0 298.814 2.198 10 10 CECERO C[C@H]([NH2+]CC1CCOCC1)c1ccc(O)cc1O ZINC000104203366 185930514 /nfs/dbraw/zinc/93/05/14/185930514.db2.gz PHRDXWTUQDERLZ-JTQLQIEISA-N 1 0 251.326 2.175 10 10 CECERO CCCOc1cc(N2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000111051313 186348168 /nfs/dbraw/zinc/34/81/68/186348168.db2.gz FIKFDSFZUJDENX-LLVKDONJSA-N 1 0 279.340 2.169 10 10 CECERO [NH3+]C[C@@H]1O[C@@H](c2ccccc2)Cc2c(O)c(O)ccc21 ZINC000006885604 361338949 /nfs/dbraw/zinc/33/89/49/361338949.db2.gz SUHGRZPINGKYNV-CABCVRRESA-N 1 0 271.316 2.412 10 10 in-vitro CECERO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccccc2O)cn1 ZINC000180074534 368367256 /nfs/dbraw/zinc/36/72/56/368367256.db2.gz ZZSFYUKCMPLGCP-CQSZACIVSA-N 1 0 257.337 2.463 10 10 CECERO Cn1cc([C@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)cn1 ZINC000180175664 368369305 /nfs/dbraw/zinc/36/93/05/368369305.db2.gz KOZXXJKGCKGVKJ-NSHDSACASA-N 1 0 275.327 2.254 10 10 CECERO Cc1cccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1O ZINC000180330861 368376174 /nfs/dbraw/zinc/37/61/74/368376174.db2.gz SAXZFNLPJCTAGA-ZDUSSCGKSA-N 1 0 271.364 2.424 10 10 CECERO C[C@H]1CN(c2ccc(OC(F)F)cc2)[C@@H](C)C[NH2+]1 ZINC000083415166 135020062 /nfs/dbraw/zinc/02/00/62/135020062.db2.gz ISVRRAAEEUSHBV-UWVGGRQHSA-N 1 0 256.296 2.475 10 10 CECERO COC(=O)NN=Cc1c[n+](=O)c2ccccc2n1O ZINC000087711569 135051355 /nfs/dbraw/zinc/05/13/55/135051355.db2.gz BPMVRAQIQQEBLN-JQAHBYNNSA-N 1 0 262.225 2.168 10 10 CECERO CC[C@H]1C[N@H+](Cc2cc(C)ccc2O)CCN1CCOC ZINC000120962823 394789480 /nfs/dbraw/zinc/78/94/80/394789480.db2.gz JCCRYQPEHRAVKW-INIZCTEOSA-N 1 0 292.423 2.243 10 10 CECERO Nc1ccc(Br)c([C@@H]2CCC[NH2+]2)c1O ZINC000307729250 400339659 /nfs/dbraw/zinc/33/96/59/400339659.db2.gz GYIVLQORNMTWMZ-QMMMGPOBSA-N 1 0 257.131 2.161 10 10 CECERO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(O)cc1O ZINC000038095491 174109285 /nfs/dbraw/zinc/10/92/85/174109285.db2.gz SGQFLOHHGKHFSS-ZYHUDNBSSA-N 1 0 251.326 2.318 10 10 CECERO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccccc1O ZINC000155278444 261100154 /nfs/dbraw/zinc/10/01/54/261100154.db2.gz MCLVAWNMEHMXQP-GDBMZVCRSA-N 1 0 292.423 2.280 10 10 CECERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(Cl)ccc1O ZINC000185993556 262075146 /nfs/dbraw/zinc/07/51/46/262075146.db2.gz ABSROUODSGQIRK-KOLCDFICSA-N 1 0 292.770 2.303 10 10 CECERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1O)CC2 ZINC000183597196 329250815 /nfs/dbraw/zinc/25/08/15/329250815.db2.gz BTLGJPPYCORNSG-VXGBXAGGSA-N 1 0 286.379 2.212 10 10 CECERO COc1cc(Cl)cc(C[NH2+]CCn2cc(C)cn2)c1O ZINC000230934369 333322666 /nfs/dbraw/zinc/32/26/66/333322666.db2.gz YWFRPYHAKKDQEA-UHFFFAOYSA-N 1 0 295.770 2.349 10 10 CECERO CCOc1ccc(O)c(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000127005478 521146167 /nfs/dbraw/zinc/14/61/67/521146167.db2.gz QHNNDWJSNDYHMZ-RYUDHWBXSA-N 1 0 265.353 2.400 10 10 CECERO COCCN(C)CC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000061375470 523605227 /nfs/dbraw/zinc/60/52/27/523605227.db2.gz PSKSGMVGQNBLNH-UHFFFAOYSA-N 1 0 288.391 2.213 10 10 CECERO Cc1cc(C[NH2+]C(C)C)ccc1N1CCC[C@@H]1CO ZINC000050560939 524751664 /nfs/dbraw/zinc/75/16/64/524751664.db2.gz DEZBJZQRVISQTN-OAHLLOKOSA-N 1 0 262.397 2.454 10 10 CECERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(OC)c(F)c1 ZINC000083393345 535825056 /nfs/dbraw/zinc/82/50/56/535825056.db2.gz HEIDUQCYDPNCEW-WDEREUQCSA-N 1 0 252.333 2.411 10 10 CECERO COc1cc(C)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000164393379 639366339 /nfs/dbraw/zinc/36/63/39/639366339.db2.gz HMAWIOFEYNVTED-ZFWWWQNUSA-N 1 0 290.407 2.378 10 10 CECERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)c(O)c1O ZINC000083385046 178393001 /nfs/dbraw/zinc/39/30/01/178393001.db2.gz PXWMWMLWIKNTQD-MWLCHTKSSA-N 1 0 251.326 2.472 10 10 CECERO Oc1ccc([C@@H]2C[NH2+]CCc3cc(O)c(O)cc32)cc1 ZINC000026385505 361638584 /nfs/dbraw/zinc/63/85/84/361638584.db2.gz WEQOPZCFAOUMAW-AWEZNQCLSA-N 1 0 271.316 2.081 10 10 CECERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000282281131 299358160 /nfs/dbraw/zinc/35/81/60/299358160.db2.gz LAMZRZDSBOYJSI-YWPYICTPSA-N 1 0 275.396 2.070 10 10 CECERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1O ZINC000248404140 371187408 /nfs/dbraw/zinc/18/74/08/371187408.db2.gz ZWTRZZCDIWBVEN-GJZGRUSLSA-N 1 0 260.381 2.451 10 10 CECERO C[C@@H]([NH3+])c1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000035438945 134797881 /nfs/dbraw/zinc/79/78/81/134797881.db2.gz KUTUYUQRVFMSMD-GMTAPVOTSA-N 1 0 252.333 2.459 10 10 CECERO CC[C@@H]1CN(c2ccc(C[NH2+]C)cc2F)CCO1 ZINC000036770453 134823316 /nfs/dbraw/zinc/82/33/16/134823316.db2.gz ABQOTMJXUUROJU-GFCCVEGCSA-N 1 0 252.333 2.160 10 10 CECERO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@H]2O)c1O ZINC000228675743 394476171 /nfs/dbraw/zinc/47/61/71/394476171.db2.gz AGAGCXADXKPLSI-BXKDBHETSA-N 1 0 285.771 2.305 10 10 CECERO COc1cc2c(c(NCCCC[NH3+])c1)N(C)CCC2 ZINC000584615355 395665521 /nfs/dbraw/zinc/66/55/21/395665521.db2.gz NUUXCBATWSQNJZ-UHFFFAOYSA-N 1 0 263.385 2.228 10 10 CECERO CCC[NH+]1CCC(NCc2ccc(O)c(O)c2)CC1 ZINC000020189592 171055441 /nfs/dbraw/zinc/05/54/41/171055441.db2.gz ZLJQERNHDIVGKG-UHFFFAOYSA-N 1 0 264.369 2.062 10 10 CECERO CC[NH+]1CCC(N(C)C(=O)CCc2ccc(N)cc2)CC1 ZINC000038051718 174063295 /nfs/dbraw/zinc/06/32/95/174063295.db2.gz ZYKQMTWBPATKOS-UHFFFAOYSA-N 1 0 289.423 2.144 10 10 CECERO CCN1CCC([NH2+][C@H](C)c2ccc(O)cc2O)CC1 ZINC000038097917 174112479 /nfs/dbraw/zinc/11/24/79/174112479.db2.gz IPIJHMVBMROIDS-LLVKDONJSA-N 1 0 264.369 2.233 10 10 CECERO COc1ccc(O)c(C[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000037166519 260072071 /nfs/dbraw/zinc/07/20/71/260072071.db2.gz WGIKYNYUSFNNHY-CQSZACIVSA-N 1 0 280.412 2.467 10 10 CECERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000147453677 263811672 /nfs/dbraw/zinc/81/16/72/263811672.db2.gz CCJDDQICEAFIMA-CYBMUJFWSA-N 1 0 292.379 2.037 10 10 CECERO C[NH2+][C@H](C)c1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000061693961 522448939 /nfs/dbraw/zinc/44/89/39/522448939.db2.gz OEEJJQQWXCMXHW-LLVKDONJSA-N 1 0 267.804 2.372 10 10 CECERO COc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000126892329 525958594 /nfs/dbraw/zinc/95/85/94/525958594.db2.gz ZXBGKVPFWXJSAK-QWRGUYRKSA-N 1 0 251.326 2.010 10 10 CECERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1c1ccc2c(c1)OCO2 ZINC000083456593 535264160 /nfs/dbraw/zinc/26/41/60/535264160.db2.gz ZDQNYXUCIHJZAD-AAEUAGOBSA-N 1 0 262.353 2.238 10 10 CECERO CCOc1ccc(N2CC[NH2+]C[C@H]2C)cc1OCC ZINC000083479382 535734642 /nfs/dbraw/zinc/73/46/42/535734642.db2.gz HBPIUDGTEODTDL-GFCCVEGCSA-N 1 0 264.369 2.282 10 10 CECERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179565805 395195689 /nfs/dbraw/zinc/19/56/89/395195689.db2.gz OFONAKKJSHJINI-CQSZACIVSA-N 1 0 276.380 2.273 10 10 CECERO Cc1cc(C[NH2+][C@H](C)C(N)=O)c(C)n1-c1ccccc1 ZINC000035148876 172010480 /nfs/dbraw/zinc/01/04/80/172010480.db2.gz IWEWURDFOXREJS-GFCCVEGCSA-N 1 0 271.364 2.058 10 10 CECERO CC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000037912933 173846490 /nfs/dbraw/zinc/84/64/90/173846490.db2.gz SUCNXROMMANXJC-CQSZACIVSA-N 1 0 261.369 2.472 10 10 CECERO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cc(O)ccc1O ZINC000038043933 174051555 /nfs/dbraw/zinc/05/15/55/174051555.db2.gz RAOPGNCPOCJAMT-MNOVXSKESA-N 1 0 251.326 2.175 10 10 CECERO C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(O)c(O)c1 ZINC000077272639 177247933 /nfs/dbraw/zinc/24/79/33/177247933.db2.gz YENHZTNWVCNPRW-MRXNPFEDSA-N 1 0 273.332 2.263 10 10 in-vitro CECERO CCCCN(CCO)c1ccc(C[NH3+])cc1Cl ZINC000062793031 520527915 /nfs/dbraw/zinc/52/79/15/520527915.db2.gz JNBZLKUNISQVET-UHFFFAOYSA-N 1 0 256.777 2.398 10 10 CECERO C[N@H+](CCc1ccncc1)Cc1cc(N)ccc1O ZINC000048259387 522977575 /nfs/dbraw/zinc/97/75/75/522977575.db2.gz KBHPJKNBENFSNZ-UHFFFAOYSA-N 1 0 257.337 2.044 10 10 CECERO COCCN(CCOC)c1ccc([C@H](C)[NH3+])cc1Cl ZINC000061696369 523724698 /nfs/dbraw/zinc/72/46/98/523724698.db2.gz AUMCRDCZBRTGPL-NSHDSACASA-N 1 0 286.803 2.459 10 10 CECERO CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054307725 631154018 /nfs/dbraw/zinc/15/40/18/631154018.db2.gz HQIKZRVEGYLSBD-HNNXBMFYSA-N 1 0 289.423 2.101 10 10 CECERO CCCOc1cc(N2CC[C@@H](C[NH2+]C)C2)ccc1[N+](=O)[O-] ZINC000111051884 186348553 /nfs/dbraw/zinc/34/85/53/186348553.db2.gz OTGKPMOMXJFZOF-LBPRGKRZSA-N 1 0 293.367 2.429 10 10 CECERO CCCOc1cc(N2CC[C@H]([NH+](C)C)C2)ccc1N ZINC000111056184 186349333 /nfs/dbraw/zinc/34/93/33/186349333.db2.gz ZVBHOGZYXAXQMK-ZDUSSCGKSA-N 1 0 263.385 2.198 10 10 CECERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(OC)c1O ZINC000156084185 366826928 /nfs/dbraw/zinc/82/69/28/366826928.db2.gz LOCQSGFBDNLZQV-AWEZNQCLSA-N 1 0 278.396 2.317 10 10 CECERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(N(C)C)cc1 ZINC000282281128 299360041 /nfs/dbraw/zinc/36/00/41/299360041.db2.gz LAMZRZDSBOYJSI-SLEUVZQESA-N 1 0 275.396 2.070 10 10 CECERO Cn1cc([C@@H]2CC[N@H+](Cc3ccccc3O)C2)cn1 ZINC000179577554 395197188 /nfs/dbraw/zinc/19/71/88/395197188.db2.gz NCGFSIGKJWUEPE-GFCCVEGCSA-N 1 0 257.337 2.115 10 10 CECERO C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1O)[C@@H]1CCCO1 ZINC000020207039 171071121 /nfs/dbraw/zinc/07/11/21/171071121.db2.gz PTFBXFHQKVXRSK-RBZYPMLTSA-N 1 0 251.326 2.316 10 10 CECERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)c1 ZINC000185662762 262065375 /nfs/dbraw/zinc/06/53/75/262065375.db2.gz FGQJGLCICCGEEY-ZWNOBZJWSA-N 1 0 288.351 2.178 10 10 CECERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Cl)ccc1O ZINC000185973082 262074355 /nfs/dbraw/zinc/07/43/55/262074355.db2.gz MSVAFNAYQFVHLL-CMPLNLGQSA-N 1 0 284.787 2.027 10 10 CECERO C[N@@H+](Cc1cccc(F)c1[O-])C[C@H]1CCCOC1 ZINC000160237475 264237391 /nfs/dbraw/zinc/23/73/91/264237391.db2.gz AUBCQKHYZGKETD-LLVKDONJSA-N 1 0 253.317 2.390 10 10 CECERO COc1cc(Cl)cc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)c1O ZINC000230976112 333323203 /nfs/dbraw/zinc/32/32/03/333323203.db2.gz RCIJVOHANSQNEX-GWCFXTLKSA-N 1 0 298.814 2.436 10 10 CECERO CC(C)N(CCCO)c1ccc(C[NH3+])cc1Cl ZINC000062793075 519644812 /nfs/dbraw/zinc/64/48/12/519644812.db2.gz VHUBVZBTTPLXIM-UHFFFAOYSA-N 1 0 256.777 2.396 10 10 CECERO CC[NH2+]C[C@@H]1CCN(c2ccc(OC)c(OC)c2)C1 ZINC000053011208 519951954 /nfs/dbraw/zinc/95/19/54/519951954.db2.gz SHKXHEYXKUYASK-LBPRGKRZSA-N 1 0 264.369 2.140 10 10 CECERO Cc1cc(C[NH2+]C2CC2)ccc1N1CCC[C@H](O)C1 ZINC000050561431 524752509 /nfs/dbraw/zinc/75/25/09/524752509.db2.gz XRMQEXFMCPYGRC-HNNXBMFYSA-N 1 0 260.381 2.208 10 10 CECERO COc1ccc(N2CC[NH2+]C[C@H]2C(C)C)c(OC)c1 ZINC000083479491 536704852 /nfs/dbraw/zinc/70/48/52/536704852.db2.gz POZUZDOPZPXXNS-AWEZNQCLSA-N 1 0 264.369 2.138 10 10 CECERO COC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000172478052 639767362 /nfs/dbraw/zinc/76/73/62/639767362.db2.gz NPBWGSOQRNNQLF-CQSZACIVSA-N 1 0 289.375 2.266 10 10 CECERO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([NH+](C)C)C2)c1O ZINC000062966535 639801605 /nfs/dbraw/zinc/80/16/05/639801605.db2.gz LWKRNFZKICLHKV-CYBMUJFWSA-N 1 0 296.798 2.384 10 10 CECERO CCOC(=O)C(Cc1ccc(Br)cc1)[N+]#N ZINC000584604537 344963479 /nfs/dbraw/zinc/96/34/79/344963479.db2.gz PMBXURLMGAMLEK-UHFFFAOYSA-N 1 0 283.125 2.226 10 10 CECERO CCCCN(CCO)c1ccc(C[NH2+]CC)cc1 ZINC000042493975 184556227 /nfs/dbraw/zinc/55/62/27/184556227.db2.gz YORDPRGDNNOVSX-UHFFFAOYSA-N 1 0 250.386 2.395 10 10 CECERO CC(C)[C@H]1CN(c2ccc3c(c2)OCO3)[C@H](C)C[NH2+]1 ZINC000083456570 135022550 /nfs/dbraw/zinc/02/25/50/135022550.db2.gz WANQDLALSMVEKT-DGCLKSJQSA-N 1 0 262.353 2.238 10 10 CECERO CC1(C)CC(NCc2ccc(O)c(O)c2)CC(C)(C)[NH2+]1 ZINC000020143163 171029333 /nfs/dbraw/zinc/02/93/33/171029333.db2.gz HZJDYCUQIXJYQU-UHFFFAOYSA-N 1 0 278.396 2.497 10 10 CECERO Nc1cccc(Cl)c1N[C@H]1C[NH+]2CCC1CC2 ZINC000020383782 171174018 /nfs/dbraw/zinc/17/40/18/171174018.db2.gz OPEBRVNGWVXUFU-LBPRGKRZSA-N 1 0 251.761 2.428 10 10 CECERO C[N@H+](CC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000022178559 171371878 /nfs/dbraw/zinc/37/18/78/171371878.db2.gz JHAYWJPJPNQZAD-UHFFFAOYSA-N 1 0 261.369 2.472 10 10 CECERO COC(=O)CCC[N@H+](Cc1ccc(N)cc1)C1CC1 ZINC000035366088 172157266 /nfs/dbraw/zinc/15/72/66/172157266.db2.gz DLGUOIHSUJUCHF-UHFFFAOYSA-N 1 0 262.353 2.186 10 10 CECERO C[C@H]([NH2+]C[C@H]1CCCOC1)c1cc(O)ccc1O ZINC000038043934 174051784 /nfs/dbraw/zinc/05/17/84/174051784.db2.gz RAOPGNCPOCJAMT-WDEREUQCSA-N 1 0 251.326 2.175 10 10 CECERO CCCCN(CC[NH3+])c1ccc2c(c1)OCCO2 ZINC000076654934 177044896 /nfs/dbraw/zinc/04/48/96/177044896.db2.gz NPCYCTBETPYVQN-UHFFFAOYSA-N 1 0 250.342 2.023 10 10 CECERO CC[C@](C)(O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000161504458 261249249 /nfs/dbraw/zinc/24/92/49/261249249.db2.gz PSYROAOKSCZMEX-INIZCTEOSA-N 1 0 296.386 2.117 10 10 CECERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)C12CCOCC2 ZINC000186307527 262087703 /nfs/dbraw/zinc/08/77/03/262087703.db2.gz PHRWKNUVALYRIP-HZPDHXFCSA-N 1 0 291.391 2.456 10 10 CECERO CC(C)NC(=O)C[NH2+]Cc1c(O)ccc2ccccc21 ZINC000036781604 519708501 /nfs/dbraw/zinc/70/85/01/519708501.db2.gz BHEZIFRSIIJSBZ-UHFFFAOYSA-N 1 0 272.348 2.160 10 10 CECERO COc1ccc(N2CC[C@H]([NH3+])C[C@@H]2C)c(OC)c1 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CCOc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC000127035428 276380099 /nfs/dbraw/zinc/38/00/99/276380099.db2.gz MBOLLHHPGPUJOY-VXGBXAGGSA-N 1 0 265.353 2.400 10 10 CECERO CCOc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000127035664 279970321 /nfs/dbraw/zinc/97/03/21/279970321.db2.gz MBOLLHHPGPUJOY-RYUDHWBXSA-N 1 0 265.353 2.400 10 10 CECERO CCCNC(=O)C[NH2+]Cc1c(O)ccc2ccccc21 ZINC000036780947 519880391 /nfs/dbraw/zinc/88/03/91/519880391.db2.gz NXLODMPZGPRKML-UHFFFAOYSA-N 1 0 272.348 2.161 10 10 CECERO C[NH2+]Cc1cc(F)c(N2CCC(OC)CC2)c(F)c1 ZINC000062710489 522112322 /nfs/dbraw/zinc/11/23/22/522112322.db2.gz NROWFFGCAFEQRJ-UHFFFAOYSA-N 1 0 270.323 2.299 10 10 CECERO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000128486497 522175865 /nfs/dbraw/zinc/17/58/65/522175865.db2.gz XXVUUUBLGKKDKU-MRXNPFEDSA-N 1 0 299.422 2.256 10 10 CECERO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000128504924 525341784 /nfs/dbraw/zinc/34/17/84/525341784.db2.gz PABJSIYVFNWGDR-CQSZACIVSA-N 1 0 286.379 2.204 10 10 CECERO [NH3+]Cc1ccc(N2CCCC[C@H]2CO)c(Cl)c1 ZINC000062792979 527256556 /nfs/dbraw/zinc/25/65/56/527256556.db2.gz PVQBHFNFNDSONC-NSHDSACASA-N 1 0 254.761 2.150 10 10 CECERO CC[C@H]1CN(c2ccc(OC)c(OC)c2)[C@H](C)C[NH2+]1 ZINC000083479426 536160461 /nfs/dbraw/zinc/16/04/61/536160461.db2.gz VXSZJKUMNHBJDD-NEPJUHHUSA-N 1 0 264.369 2.281 10 10 CECERO Cn1cc([C@@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)cn1 ZINC000180175647 368369347 /nfs/dbraw/zinc/36/93/47/368369347.db2.gz KOZXXJKGCKGVKJ-LLVKDONJSA-N 1 0 275.327 2.254 10 10 CECERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000180603837 368388325 /nfs/dbraw/zinc/38/83/25/368388325.db2.gz BRTHUKSORQKLJK-DZGCQCFKSA-N 1 0 299.422 2.400 10 10 CECERO C[C@@H]1CN(c2ccc(OC(F)F)cc2)[C@@H](C)C[NH2+]1 ZINC000083415164 135020043 /nfs/dbraw/zinc/02/00/43/135020043.db2.gz ISVRRAAEEUSHBV-ZJUUUORDSA-N 1 0 256.296 2.475 10 10 CECERO Cc1cc(Cl)cc(CN2CCO[C@@H](C[NH+](C)C)C2)c1O ZINC000183400109 395256392 /nfs/dbraw/zinc/25/63/92/395256392.db2.gz LXLSGTPZVHZQOR-AWEZNQCLSA-N 1 0 298.814 2.116 10 10 CECERO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc(N)cc2)C1 ZINC000022178252 171371542 /nfs/dbraw/zinc/37/15/42/171371542.db2.gz HOJDOBJURZCKKH-TXEJJXNPSA-N 1 0 261.369 2.185 10 10 CECERO CCOc1ccc(N2CC[C@H]([NH2+]C)C2)cc1OCC ZINC000037240504 173056867 /nfs/dbraw/zinc/05/68/67/173056867.db2.gz VZXZJPOZYWPPFI-LBPRGKRZSA-N 1 0 264.369 2.282 10 10 CECERO C=C(C=C1CCC[N@@H+]1C)C1SC(=S)N(C)C1=O ZINC000038644976 174150880 /nfs/dbraw/zinc/15/08/80/174150880.db2.gz IYSUEATZWRPJFI-ZWOQCJTASA-N 1 0 268.407 2.360 10 10 CECERO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000071301772 176114243 /nfs/dbraw/zinc/11/42/43/176114243.db2.gz VWRUYSGNNFFBPZ-MRXNPFEDSA-N 1 0 260.381 2.147 10 10 CECERO C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(O)c(O)c1 ZINC000077272636 177247928 /nfs/dbraw/zinc/24/79/28/177247928.db2.gz YENHZTNWVCNPRW-INIZCTEOSA-N 1 0 273.332 2.263 10 10 in-vitro CECERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c(O)c1 ZINC000185115403 262041866 /nfs/dbraw/zinc/04/18/66/262041866.db2.gz XKTIDHWIFPVGBX-GJZGRUSLSA-N 1 0 292.423 2.198 10 10 CECERO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c1 ZINC000185114876 262041908 /nfs/dbraw/zinc/04/19/08/262041908.db2.gz QYFQVMLMMXWJRH-HUUCEWRRSA-N 1 0 292.423 2.198 10 10 CECERO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000128349702 522182677 /nfs/dbraw/zinc/18/26/77/522182677.db2.gz QVWDWIALAVMMPO-OAHLLOKOSA-N 1 0 284.407 2.476 10 10 CECERO COc1ccc(N2CC[C@H](C[NH2+]C3CC3)C2)c(OC)c1 ZINC000053011719 524441124 /nfs/dbraw/zinc/44/11/24/524441124.db2.gz DGYHPXZOZRYKFR-GFCCVEGCSA-N 1 0 276.380 2.282 10 10 CECERO C[C@H]1CN(c2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000049710341 524671125 /nfs/dbraw/zinc/67/11/25/524671125.db2.gz QNADJMJOSHTYDE-CABZTGNLSA-N 1 0 256.296 2.462 10 10 CECERO C[C@H]([NH3+])c1ccc(N2CCC(O)CC2)c(Cl)c1 ZINC000061694353 524864440 /nfs/dbraw/zinc/86/44/40/524864440.db2.gz OXFDNZCLTSNDKG-VIFPVBQESA-N 1 0 254.761 2.321 10 10 CECERO Cc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c(O)c1O ZINC000179455383 625444117 /nfs/dbraw/zinc/44/41/17/625444117.db2.gz ASFHXVNCLQQONF-GFCCVEGCSA-N 1 0 294.395 2.112 10 10 CECERO [NH3+]C[C@H]1CCCCN1Cc1cc(Cl)ccc1O ZINC000044539707 639321568 /nfs/dbraw/zinc/32/15/68/639321568.db2.gz PFNWSJYMXZGNHA-GFCCVEGCSA-N 1 0 254.761 2.359 10 10 CECERO C[C@@]1(C(=O)NCCCSc2nccs2)CCCC[NH2+]1 ZINC000180958125 641497566 /nfs/dbraw/zinc/49/75/66/641497566.db2.gz NSMUEUVCKJHOSQ-ZDUSSCGKSA-N 1 0 299.465 2.274 10 10 CECERO CN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]2[NH3+] ZINC000036193709 361835639 /nfs/dbraw/zinc/83/56/39/361835639.db2.gz SBZDQOYGTZCACI-HNNXBMFYSA-N 1 0 267.332 2.275 10 10 CECERO Cc1cc(N2CCN(c3ccc(N)cc3)CC2)cc[nH+]1 ZINC000150107824 136393304 /nfs/dbraw/zinc/39/33/04/136393304.db2.gz AOEWLGJSBGMCLO-UHFFFAOYSA-N 1 0 268.364 2.299 10 10 CECERO [NH3+]CC[C@@H]([NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000306585273 344715349 /nfs/dbraw/zinc/71/53/49/344715349.db2.gz QSLHCUCWOSDZHT-MRVPVSSYSA-N 1 0 279.565 2.157 10 10 CECERO CCOc1cccc(C[NH2+][C@@H]2CCO[C@H]2C)c1O ZINC000134247179 366302758 /nfs/dbraw/zinc/30/27/58/366302758.db2.gz SGVGHCPTUNJHRA-CMPLNLGQSA-N 1 0 251.326 2.058 10 10 CECERO CN(C)c1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000077204367 363546214 /nfs/dbraw/zinc/54/62/14/363546214.db2.gz XJVRFIPPMPHEIT-GDBMZVCRSA-N 1 0 262.397 2.393 10 10 CECERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(OC(F)F)cc1 ZINC000083415165 135020030 /nfs/dbraw/zinc/02/00/30/135020030.db2.gz ISVRRAAEEUSHBV-VHSXEESVSA-N 1 0 256.296 2.475 10 10 CECERO CC[C@@H]1CN(c2ccc3c(c2)OCO3)[C@@H](CC)C[NH2+]1 ZINC000083456585 135023016 /nfs/dbraw/zinc/02/30/16/135023016.db2.gz FLWKUWPMOVHPRV-NEPJUHHUSA-N 1 0 262.353 2.382 10 10 CECERO CN(C)C1(C[N@H+](C)Cc2cccc(F)c2[O-])CCC1 ZINC000097934080 394700183 /nfs/dbraw/zinc/70/01/83/394700183.db2.gz WIXQTILPWJYCPB-UHFFFAOYSA-N 1 0 266.360 2.447 10 10 CECERO CC(=O)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000016077526 170686700 /nfs/dbraw/zinc/68/67/00/170686700.db2.gz HRUJUDJNOIZOLL-UHFFFAOYSA-N 1 0 284.359 2.210 10 10 CECERO C[C@@H](C(=O)Nc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC000022155481 171361630 /nfs/dbraw/zinc/36/16/30/171361630.db2.gz LHBRXIUSJZVDAV-LBPRGKRZSA-N 1 0 261.369 2.328 10 10 CECERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Cl)ccc1O ZINC000185973824 262074392 /nfs/dbraw/zinc/07/43/92/262074392.db2.gz MSVAFNAYQFVHLL-PWSUYJOCSA-N 1 0 284.787 2.027 10 10 CECERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C12CCOCC2 ZINC000186307543 262087861 /nfs/dbraw/zinc/08/78/61/262087861.db2.gz PHRWKNUVALYRIP-CVEARBPZSA-N 1 0 291.391 2.456 10 10 CECERO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H]2C)c1O ZINC000228676781 329344440 /nfs/dbraw/zinc/34/44/40/329344440.db2.gz HBXNWXZBXCGPQT-KWQFWETISA-N 1 0 271.744 2.321 10 10 CECERO Oc1ccc(F)cc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000236545138 526351369 /nfs/dbraw/zinc/35/13/69/526351369.db2.gz GPPHRHXYOFGGEQ-TZMCWYRMSA-N 1 0 253.317 2.315 10 10 CECERO Cc1cccc(C[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000051575648 624451571 /nfs/dbraw/zinc/45/15/71/624451571.db2.gz WRKUKAZHDAXTMD-UHFFFAOYSA-N 1 0 272.304 2.114 10 10 CECERO CN1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000584655422 344974170 /nfs/dbraw/zinc/97/41/70/344974170.db2.gz VNTVXQGTQXLNJL-UHFFFAOYSA-N 1 0 260.381 2.018 10 10 CECERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccc2c(c1)OCCO2 ZINC000083456583 135023166 /nfs/dbraw/zinc/02/31/66/135023166.db2.gz AZOSFJUHRRLEAB-RYUDHWBXSA-N 1 0 262.353 2.035 10 10 CECERO Cc1ccc(N2CCC[N@H+](Cc3ccccc3O)CC2)nn1 ZINC000179575280 395196930 /nfs/dbraw/zinc/19/69/30/395196930.db2.gz CPXVOAMEXDZQMH-UHFFFAOYSA-N 1 0 298.390 2.203 10 10 CECERO Oc1ccc2c(c1O)Cc1cccc3c1[C@H]2C[NH2+]C3 ZINC000003951613 169926252 /nfs/dbraw/zinc/92/62/52/169926252.db2.gz ZQTSNGJHMUKLOM-ZDUSSCGKSA-N 1 0 253.301 2.237 10 10 CECERO CCCOc1cc(N(C)CC[NH2+]C)ccc1[N+](=O)[O-] ZINC000070987717 176018698 /nfs/dbraw/zinc/01/86/98/176018698.db2.gz WGOHNGAQGYYZSO-UHFFFAOYSA-N 1 0 267.329 2.039 10 10 CECERO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000154459370 261091495 /nfs/dbraw/zinc/09/14/95/261091495.db2.gz XDAOSZPGRXDFBU-RHSMWYFYSA-N 1 0 292.423 2.335 10 10 CECERO CCOc1cccc(C[NH2+]CCn2cc(C)cn2)c1O ZINC000105908552 261363479 /nfs/dbraw/zinc/36/34/79/261363479.db2.gz ZYFJLOOLPSRQPK-UHFFFAOYSA-N 1 0 275.352 2.086 10 10 CECERO CC[NH2+]C(C)(C)C(=O)N(C)[C@H](C)c1ccccc1O ZINC000061296671 519903204 /nfs/dbraw/zinc/90/32/04/519903204.db2.gz AKATVBLBRXLGJJ-LLVKDONJSA-N 1 0 264.369 2.300 10 10 CECERO CC(C)[NH2+]C[C@H]1CCN(c2ccc3c(c2)OCCO3)C1 ZINC000053012160 519725035 /nfs/dbraw/zinc/72/50/35/519725035.db2.gz DTKYPUFQEUBPCT-CYBMUJFWSA-N 1 0 276.380 2.282 10 10 CECERO CCC[NH2+]Cc1ccc(N2CCC[C@H](O)C2)cc1C ZINC000050583584 519950455 /nfs/dbraw/zinc/95/04/55/519950455.db2.gz DWYAWNUVIWTUIS-INIZCTEOSA-N 1 0 262.397 2.456 10 10 CECERO C[NH2+][C@H](C)c1ccc(N(C)C[C@@H](C)O)c(Cl)c1 ZINC000061698172 522447482 /nfs/dbraw/zinc/44/74/82/522447482.db2.gz UZUUGKFMRCYKIR-NXEZZACHSA-N 1 0 256.777 2.437 10 10 CECERO COc1ccc(N2CC(C)(C)[NH2+]C[C@H]2C)c(OC)c1 ZINC000058460238 524400947 /nfs/dbraw/zinc/40/09/47/524400947.db2.gz CAZVJODLNNAKCO-LLVKDONJSA-N 1 0 264.369 2.281 10 10 CECERO COc1ccc(N2CC(C)(C)[NH2+]C[C@@H]2C)cc1OC ZINC000058460245 524401879 /nfs/dbraw/zinc/40/18/79/524401879.db2.gz DZSZTOPBCRZIOT-NSHDSACASA-N 1 0 264.369 2.281 10 10 CECERO C[C@H](O)CN(C)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062738166 525742609 /nfs/dbraw/zinc/74/26/09/525742609.db2.gz ZNYDBGXYMXOVNV-LBPRGKRZSA-N 1 0 250.386 2.392 10 10 CECERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000195213359 628528813 /nfs/dbraw/zinc/52/88/13/628528813.db2.gz UGUMQVKBQYYYIK-STQMWFEESA-N 1 0 297.395 2.229 10 10 CECERO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCS1 ZINC000131354518 652417480 /nfs/dbraw/zinc/41/74/80/652417480.db2.gz RGRDYXNRQNDDSM-AWEZNQCLSA-N 1 0 292.448 2.461 10 10 CECERO C[NH+](C)[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000134164588 652784952 /nfs/dbraw/zinc/78/49/52/652784952.db2.gz LISJANXLPDWMFF-GFCCVEGCSA-N 1 0 254.761 2.182 10 10 CECERO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(N(C)C)cc1 ZINC000180594501 368388246 /nfs/dbraw/zinc/38/82/46/368388246.db2.gz LBYVNPKXPARENL-GOEBONIOSA-N 1 0 299.422 2.400 10 10 CECERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282196794 375426397 /nfs/dbraw/zinc/42/63/97/375426397.db2.gz GPWAAHUYEQOKRO-GVXVVHGQSA-N 1 0 262.353 2.018 10 10 CECERO Cc1cccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1O ZINC000124601715 394839036 /nfs/dbraw/zinc/83/90/36/394839036.db2.gz QGTJLRLAUNXNIG-ZFWWWQNUSA-N 1 0 260.381 2.369 10 10 CECERO COc1ccc(CC[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC000019907332 170919176 /nfs/dbraw/zinc/91/91/76/170919176.db2.gz NFKXHHFDEBLDOK-UHFFFAOYSA-N 1 0 273.332 2.439 10 10 CECERO C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(O)cc1O ZINC000020125795 171008745 /nfs/dbraw/zinc/00/87/45/171008745.db2.gz XZKKWKNDHKBRJN-JTQLQIEISA-N 1 0 252.358 2.089 10 10 CECERO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1ccc(N)cc1 ZINC000022210347 171373029 /nfs/dbraw/zinc/37/30/29/171373029.db2.gz BBMOBDAHEWUPFC-VXGBXAGGSA-N 1 0 261.369 2.470 10 10 CECERO COCC[N@H+](CCc1ccc(N)cc1)CC(C)C ZINC000042367290 174699025 /nfs/dbraw/zinc/69/90/25/174699025.db2.gz QKYRQEBLMMTSFG-UHFFFAOYSA-N 1 0 250.386 2.416 10 10 CECERO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1c(O)ccc2ccccc21 ZINC000078640352 260168346 /nfs/dbraw/zinc/16/83/46/260168346.db2.gz RFLKNWROLYYTSR-NSHDSACASA-N 1 0 293.388 2.068 10 10 CECERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Cl)ccc1O ZINC000185973099 262074474 /nfs/dbraw/zinc/07/44/74/262074474.db2.gz MSVAFNAYQFVHLL-ZYHUDNBSSA-N 1 0 284.787 2.027 10 10 CECERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccccc1O ZINC000282277046 288065374 /nfs/dbraw/zinc/06/53/74/288065374.db2.gz KURXHHAYYKWFCS-WCFLWFBJSA-N 1 0 262.353 2.100 10 10 CECERO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000246569755 329867633 /nfs/dbraw/zinc/86/76/33/329867633.db2.gz XVHIQHFWUXJXEU-PBHICJAKSA-N 1 0 291.439 2.124 10 10 CECERO COCC[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000062734303 523952182 /nfs/dbraw/zinc/95/21/82/523952182.db2.gz IEAWJORUANMUQH-KBPBESRZSA-N 1 0 278.396 2.036 10 10 CECERO COc1ccc(N2CC[NH2+][C@@H](C(C)C)C2)cc1F ZINC000083393300 536705522 /nfs/dbraw/zinc/70/55/22/536705522.db2.gz VTPGHGWPKMBIIP-CYBMUJFWSA-N 1 0 252.333 2.269 10 10 CECERO C[C@]1(C(=O)NCCCSc2nccs2)CCCC[NH2+]1 ZINC000180958107 628100329 /nfs/dbraw/zinc/10/03/29/628100329.db2.gz NSMUEUVCKJHOSQ-CYBMUJFWSA-N 1 0 299.465 2.274 10 10 CECERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000168865954 639587024 /nfs/dbraw/zinc/58/70/24/639587024.db2.gz MIFVOGPGKNJFIS-UONOGXRCSA-N 1 0 278.396 2.072 10 10 CECERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cc(F)ccc1O ZINC000227373360 639588366 /nfs/dbraw/zinc/58/83/66/639588366.db2.gz AVBDKZFCCMYSHI-MVWJERBFSA-N 1 0 253.317 2.485 10 10 CECERO C[N+](C)(C)CCO[P@H](=O)c1ccc(N=N)cc1 ZINC000100983877 717144211 /nfs/dbraw/zinc/14/42/11/717144211.db2.gz SQYFIAUVWZXNLR-UHFFFAOYSA-N 1 0 256.266 2.172 10 10 CECERO [NH3+]CC[C@@H]([NH3+])c1cc(Cl)cc(Br)c1[O-] ZINC000306897355 344718355 /nfs/dbraw/zinc/71/83/55/344718355.db2.gz SUNKOUNXLWNEQT-MRVPVSSYSA-N 1 0 279.565 2.157 10 10 CECERO COc1ccc(O)c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000180331124 368377029 /nfs/dbraw/zinc/37/70/29/368377029.db2.gz AWTIZAHLYZJMRK-LBPRGKRZSA-N 1 0 287.363 2.124 10 10 CECERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000246569770 370978678 /nfs/dbraw/zinc/97/86/78/370978678.db2.gz XVHIQHFWUXJXEU-YOEHRIQHSA-N 1 0 291.439 2.124 10 10 CECERO FC(F)(F)COc1ccc(N2CC[NH2+]CC2)cc1 ZINC000035650833 134515790 /nfs/dbraw/zinc/51/57/90/134515790.db2.gz HPSPMCQNULMOEN-UHFFFAOYSA-N 1 0 260.259 2.037 10 10 CECERO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1O ZINC000228675714 394476545 /nfs/dbraw/zinc/47/65/45/394476545.db2.gz AGAGCXADXKPLSI-CABZTGNLSA-N 1 0 285.771 2.305 10 10 CECERO [NH3+]CC[C@H]([NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000306660676 394517184 /nfs/dbraw/zinc/51/71/84/394517184.db2.gz QSLHCUCWOSDZHT-QMMMGPOBSA-N 1 0 279.565 2.157 10 10 CECERO C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H]1[NH+](C)C ZINC000131470112 394910931 /nfs/dbraw/zinc/91/09/31/394910931.db2.gz MXCLDDVNWYAWDK-MFKMUULPSA-N 1 0 268.788 2.428 10 10 CECERO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc(N)cc2)C1 ZINC000022178248 171371591 /nfs/dbraw/zinc/37/15/91/171371591.db2.gz HOJDOBJURZCKKH-VXGBXAGGSA-N 1 0 261.369 2.185 10 10 CECERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cc(O)ccc1O ZINC000038095562 174109167 /nfs/dbraw/zinc/10/91/67/174109167.db2.gz KFHFDBSTGCQIFR-JQWIXIFHSA-N 1 0 251.326 2.318 10 10 CECERO CCCN([C@@H](C)c1ccc(O)cc1O)[C@@H]1CC[NH2+]C1 ZINC000071314534 176121129 /nfs/dbraw/zinc/12/11/29/176121129.db2.gz VHHPOCWGQFQNRX-NWDGAFQWSA-N 1 0 264.369 2.233 10 10 CECERO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C12CCOCC2 ZINC000186307511 262087520 /nfs/dbraw/zinc/08/75/20/262087520.db2.gz PHRWKNUVALYRIP-HOTGVXAUSA-N 1 0 291.391 2.456 10 10 CECERO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H]2C)c1O ZINC000228676746 329344307 /nfs/dbraw/zinc/34/43/07/329344307.db2.gz HBXNWXZBXCGPQT-LDYMZIIASA-N 1 0 271.744 2.321 10 10 CECERO C[NH2+][C@H]1CCN(c2ccc(OC)c(F)c2)[C@@H](C)C1 ZINC000049710999 522502519 /nfs/dbraw/zinc/50/25/19/522502519.db2.gz QOMZOYSCLWYKPN-QWRGUYRKSA-N 1 0 252.333 2.411 10 10 CECERO COc1cc(C[NH+]2CCC([C@H](C)O)CC2)c(O)cc1C ZINC000160247301 622668337 /nfs/dbraw/zinc/66/83/37/622668337.db2.gz IQOARYGINVDJLM-LBPRGKRZSA-N 1 0 279.380 2.302 10 10 CECERO CCC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)[NH+](C)C ZINC000152375067 640216678 /nfs/dbraw/zinc/21/66/78/640216678.db2.gz VWAVMWOKDYKNMH-SMDDNHRTSA-N 1 0 294.395 2.308 10 10 CECERO [NH3+]CCCC[C@H]([NH3+])c1cccc(Br)c1[O-] ZINC000575440344 366287904 /nfs/dbraw/zinc/28/79/04/366287904.db2.gz OZMLEFBBBYGYFD-JTQLQIEISA-N 1 0 273.174 2.284 10 10 CECERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077204689 363545572 /nfs/dbraw/zinc/54/55/72/363545572.db2.gz PTHMOCDONDARFD-HUUCEWRRSA-N 1 0 261.365 2.262 10 10 CECERO CN(C)c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245763259 370871462 /nfs/dbraw/zinc/87/14/62/370871462.db2.gz QFCPRSVMMSVIJE-INIZCTEOSA-N 1 0 259.397 2.033 10 10 CECERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(OC)c(OC)c1 ZINC000083479465 135023918 /nfs/dbraw/zinc/02/39/18/135023918.db2.gz KCBVWSYQCDLWHU-VXGBXAGGSA-N 1 0 264.369 2.281 10 10 CECERO C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H]1[NH+](C)C ZINC000131470272 394911042 /nfs/dbraw/zinc/91/10/42/394911042.db2.gz MXCLDDVNWYAWDK-GWCFXTLKSA-N 1 0 268.788 2.428 10 10 CECERO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(O)cc1O)N(C)C ZINC000020145665 171030659 /nfs/dbraw/zinc/03/06/59/171030659.db2.gz NGFNHDBLRXJKSS-BXUZGUMPSA-N 1 0 266.385 2.335 10 10 CECERO C=COCCC[NH2+]Cc1cccc(OCC)c1O ZINC000020197278 171060972 /nfs/dbraw/zinc/06/09/72/171060972.db2.gz KWXPBCVDJCTVBF-UHFFFAOYSA-N 1 0 251.326 2.431 10 10 CECERO CC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccccc1O ZINC000185207092 262046341 /nfs/dbraw/zinc/04/63/41/262046341.db2.gz QSFCALHRPNONLU-HIFRSBDPSA-N 1 0 278.396 2.154 10 10 CECERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCn3ncnc32)c1 ZINC000185662628 262065071 /nfs/dbraw/zinc/06/50/71/262065071.db2.gz IDCNRZUZCAEEKG-AAEUAGOBSA-N 1 0 272.352 2.478 10 10 CECERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(Cl)ccc1O ZINC000185993516 262075418 /nfs/dbraw/zinc/07/54/18/262075418.db2.gz ABSROUODSGQIRK-MWLCHTKSSA-N 1 0 292.770 2.303 10 10 CECERO COc1cc(Cl)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000248892677 334321244 /nfs/dbraw/zinc/32/12/44/334321244.db2.gz SWOLUVWQJLFFML-ZDUSSCGKSA-N 1 0 296.798 2.334 10 10 CECERO CC[NH2+]C(C)(C)C(=O)N(C)[C@@H](C)c1ccccc1O ZINC000061296668 519903133 /nfs/dbraw/zinc/90/31/33/519903133.db2.gz AKATVBLBRXLGJJ-NSHDSACASA-N 1 0 264.369 2.300 10 10 CECERO CCN(c1c(F)cc(C[NH3+])cc1F)[C@H](C)COC ZINC000062713707 521478943 /nfs/dbraw/zinc/47/89/43/521478943.db2.gz DYIGXZFGJLXUEO-SECBINFHSA-N 1 0 258.312 2.285 10 10 CECERO CN(C)C(=O)CC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000037751486 523982571 /nfs/dbraw/zinc/98/25/71/523982571.db2.gz WCCBEFBOQSKLEM-UHFFFAOYSA-N 1 0 272.348 2.113 10 10 CECERO Cc1cc(C[NH2+]C(C)C)ccc1N1CCC[C@H]1CO ZINC000050560940 524751450 /nfs/dbraw/zinc/75/14/50/524751450.db2.gz DEZBJZQRVISQTN-HNNXBMFYSA-N 1 0 262.397 2.454 10 10 CECERO CCOCC[N@@H+]1CCN(Cc2cc(F)ccc2O)C[C@@H]1C ZINC000180100309 628072393 /nfs/dbraw/zinc/07/23/93/628072393.db2.gz WZWBAWDPNZPOBP-ZDUSSCGKSA-N 1 0 296.386 2.074 10 10 CECERO C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H]1[NH+](C)C ZINC000131460646 652427436 /nfs/dbraw/zinc/42/74/36/652427436.db2.gz DMOCMNGNEHJTCX-GWCFXTLKSA-N 1 0 268.788 2.428 10 10 CECERO C[C@H]([NH3+])c1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000058826255 362640347 /nfs/dbraw/zinc/64/03/47/362640347.db2.gz BSCPDVJVKYETSE-JTQLQIEISA-N 1 0 253.777 2.112 10 10 CECERO CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C)c1O ZINC000134247143 366303358 /nfs/dbraw/zinc/30/33/58/366303358.db2.gz SGVGHCPTUNJHRA-ZYHUDNBSSA-N 1 0 251.326 2.058 10 10 CECERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(OC)ccc1O ZINC000156083513 366827655 /nfs/dbraw/zinc/82/76/55/366827655.db2.gz LTQOBJNFGQRLSN-AWEZNQCLSA-N 1 0 278.396 2.317 10 10 CECERO Nc1ccc(O)c(C[N@H+](CCO)C2CCCCC2)c1 ZINC000042483509 184554401 /nfs/dbraw/zinc/55/44/01/184554401.db2.gz NPQXBYFLNLPMAY-UHFFFAOYSA-N 1 0 264.369 2.101 10 10 CECERO CC(C)[NH+]1CCC([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000158680365 395051584 /nfs/dbraw/zinc/05/15/84/395051584.db2.gz HQDJVCWRTLHZBW-UHFFFAOYSA-N 1 0 266.360 2.494 10 10 CECERO NC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000007982895 170311730 /nfs/dbraw/zinc/31/17/30/170311730.db2.gz SQPUHTQLXZGKCV-OAHLLOKOSA-N 1 0 284.359 2.385 10 10 CECERO CCCC(=O)Nc1ccc(O)c([C@H](C)[NH2+]CCN(C)C)c1 ZINC000022144711 171356236 /nfs/dbraw/zinc/35/62/36/171356236.db2.gz UMDCWYJDRDFEQL-LBPRGKRZSA-N 1 0 293.411 2.343 10 10 CECERO CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035224775 172069166 /nfs/dbraw/zinc/06/91/66/172069166.db2.gz DHEDFOMPQDELBS-ZDUSSCGKSA-N 1 0 277.412 2.099 10 10 CECERO CCC[NH2+][C@H]1CCN(c2ccc(OC)c(F)c2)C1 ZINC000037290771 173095999 /nfs/dbraw/zinc/09/59/99/173095999.db2.gz DZLCCGALBFGGOM-NSHDSACASA-N 1 0 252.333 2.413 10 10 CECERO CS(=O)(=O)CCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000038047216 174056747 /nfs/dbraw/zinc/05/67/47/174056747.db2.gz NKMSYPUPKMTUAK-UHFFFAOYSA-N 1 0 293.388 2.070 10 10 CECERO CC(C)C[N@@H+]1CCO[C@@H](COc2ccc(N)cc2)C1 ZINC000038055479 174067048 /nfs/dbraw/zinc/06/70/48/174067048.db2.gz IGOGDQAAOLLGBB-OAHLLOKOSA-N 1 0 264.369 2.004 10 10 CECERO CCN([C@@H](C)c1cc(OC)ccc1O)[C@@H]1CC[NH2+]C1 ZINC000071311929 176118663 /nfs/dbraw/zinc/11/86/63/176118663.db2.gz YCDFKRIRQXBYGR-NWDGAFQWSA-N 1 0 264.369 2.146 10 10 CECERO CCN(CC)C(=O)CC[NH2+]Cc1cc(C)ccc1O ZINC000071408035 176156657 /nfs/dbraw/zinc/15/66/57/176156657.db2.gz OEGLYTAQYHHAOP-UHFFFAOYSA-N 1 0 264.369 2.049 10 10 CECERO CCC[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000161836146 261261716 /nfs/dbraw/zinc/26/17/16/261261716.db2.gz DCAZQCGEBYUUCE-OAHLLOKOSA-N 1 0 295.402 2.238 10 10 CECERO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c1 ZINC000185114844 262041996 /nfs/dbraw/zinc/04/19/96/262041996.db2.gz QYFQVMLMMXWJRH-CABCVRRESA-N 1 0 292.423 2.198 10 10 CECERO CCC[NH2+]Cc1ccc(N(CC)CCO)c(C)c1 ZINC000050560709 519950856 /nfs/dbraw/zinc/95/08/56/519950856.db2.gz TXCXIMWFVOTBGG-UHFFFAOYSA-N 1 0 250.386 2.313 10 10 CECERO COCCN(c1ccc(C[NH3+])cc1Cl)C1CC1 ZINC000062793038 523782270 /nfs/dbraw/zinc/78/22/70/523782270.db2.gz POKPFUYYOPIUFX-UHFFFAOYSA-N 1 0 254.761 2.414 10 10 CECERO C[C@@H]([NH3+])c1ccc(N2CCC[C@@H]2CO)c(Br)c1 ZINC000061696210 525025779 /nfs/dbraw/zinc/02/57/79/525025779.db2.gz LOTMYEKZYWSLDL-MWLCHTKSSA-N 1 0 299.212 2.430 10 10 CECERO Oc1ccc2ccccc2c1C[NH2+]C[C@@H](O)C1CC1 ZINC000071299631 526357213 /nfs/dbraw/zinc/35/72/13/526357213.db2.gz XQGJGMXZQGYMMY-MRXNPFEDSA-N 1 0 257.333 2.406 10 10 CECERO CC[C@@](C)(O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000160430639 623287925 /nfs/dbraw/zinc/28/79/25/623287925.db2.gz QDBYNJMGTVUOOC-QGZVFWFLSA-N 1 0 292.423 2.116 10 10 CECERO Oc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000083552148 623861838 /nfs/dbraw/zinc/86/18/38/623861838.db2.gz SKRPGSYXPUXFHO-UWVGGRQHSA-N 1 0 255.745 2.439 10 10 CECERO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)c1 ZINC000182460123 641663075 /nfs/dbraw/zinc/66/30/75/641663075.db2.gz XQSXAOJIKCNFCO-NWDGAFQWSA-N 1 0 297.395 2.227 10 10 CECERO CC(=O)c1cc(F)cc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1O ZINC000124555181 365655096 /nfs/dbraw/zinc/65/50/96/365655096.db2.gz FNBFNELIEOAQIE-BMIGLBTASA-N 1 0 294.370 2.116 10 10 CECERO C[C@@H]([NH2+]CCO)c1ccc(N2CCCC2)c(F)c1 ZINC000020550907 256810223 /nfs/dbraw/zinc/81/02/23/256810223.db2.gz SFEUDGHWDNXNIL-LLVKDONJSA-N 1 0 252.333 2.069 10 10 CECERO COc1ccc(N(CC[NH3+])Cc2cccnc2)cc1 ZINC000020238730 171096964 /nfs/dbraw/zinc/09/69/64/171096964.db2.gz ZBVYUBHNXZRUGP-UHFFFAOYSA-N 1 0 257.337 2.056 10 10 CECERO CCC[N@H+](CCCC(=O)OC)Cc1ccc(N)cc1 ZINC000035364843 172154075 /nfs/dbraw/zinc/15/40/75/172154075.db2.gz FHUOOBBFLMTASV-UHFFFAOYSA-N 1 0 264.369 2.434 10 10 CECERO CC[NH2+][C@H]1CCN(c2ccc3c(c2)OCCCO3)C1 ZINC000037240565 173057251 /nfs/dbraw/zinc/05/72/51/173057251.db2.gz IYDVZLAUBIHNCI-LBPRGKRZSA-N 1 0 262.353 2.036 10 10 CECERO CCN1CCC([NH2+][C@@H](C)c2ccc(O)cc2O)CC1 ZINC000038097916 174112356 /nfs/dbraw/zinc/11/23/56/174112356.db2.gz IPIJHMVBMROIDS-NSHDSACASA-N 1 0 264.369 2.233 10 10 CECERO CN(Cc1cscn1)c1ccc(C[NH3+])cc1F ZINC000044417688 175173375 /nfs/dbraw/zinc/17/33/75/175173375.db2.gz GLJCYUSQOIQUPK-UHFFFAOYSA-N 1 0 251.330 2.377 10 10 CECERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000249725239 334339358 /nfs/dbraw/zinc/33/93/58/334339358.db2.gz LDEBEVOUTOHZAM-VZJVUDMVSA-N 1 0 265.353 2.355 10 10 CECERO CC[NH2+]Cc1ccc(N2CCOC[C@H]2C)c(F)c1 ZINC000035777756 535477747 /nfs/dbraw/zinc/47/77/47/535477747.db2.gz CRNSVJWGGBMJJJ-LLVKDONJSA-N 1 0 252.333 2.160 10 10 CECERO CCN1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000040502981 623634858 /nfs/dbraw/zinc/63/48/58/623634858.db2.gz CEFIWNLHFAIOBF-HNNXBMFYSA-N 1 0 260.381 2.195 10 10 CECERO Cc1cnn(CC[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185843895 642040321 /nfs/dbraw/zinc/04/03/21/642040321.db2.gz BRFVSEQHOAUOBD-LLVKDONJSA-N 1 0 263.316 2.387 10 10 CECERO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000123220076 648849671 /nfs/dbraw/zinc/84/96/71/648849671.db2.gz ZPBFUKOEFKZKQD-SNVBAGLBSA-N 1 0 283.755 2.431 10 10 CECERO COc1cccc(C([N+]#N)P(=O)(OC)OC)c1 ZINC000584602265 344963162 /nfs/dbraw/zinc/96/31/62/344963162.db2.gz ATWJSQBHEGTHOG-UHFFFAOYSA-N 1 0 256.198 2.158 10 10 CECERO CCOCCOc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC000043470962 134904039 /nfs/dbraw/zinc/90/40/39/134904039.db2.gz PMCOVTBUPKIXDC-CYBMUJFWSA-N 1 0 264.369 2.029 10 10 CECERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000183615621 395260703 /nfs/dbraw/zinc/26/07/03/395260703.db2.gz NZOFSCPGLUXIIV-GXFFZTMASA-N 1 0 272.352 2.478 10 10 CECERO CCCCOC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000195187986 395461402 /nfs/dbraw/zinc/46/14/02/395461402.db2.gz TXIJHKBVNCORHN-AWEZNQCLSA-N 1 0 267.369 2.002 10 10 CECERO C[C@H](C(=O)Nc1ccc(N)cc1)[N@H+](C)[C@@H]1CCSC1 ZINC000037174227 173008313 /nfs/dbraw/zinc/00/83/13/173008313.db2.gz BSFJPJPNANYMKB-ZWNOBZJWSA-N 1 0 279.409 2.033 10 10 CECERO COC(=O)CC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000037308579 173111420 /nfs/dbraw/zinc/11/14/20/173111420.db2.gz MREVFWJNGCCEJE-UHFFFAOYSA-N 1 0 259.305 2.198 10 10 CECERO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(O)cc1O ZINC000038044102 174051537 /nfs/dbraw/zinc/05/15/37/174051537.db2.gz RZSCIBSXHDNFSM-QWRGUYRKSA-N 1 0 251.326 2.175 10 10 CECERO COc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1O ZINC000038095466 174109281 /nfs/dbraw/zinc/10/92/81/174109281.db2.gz KFDJXZOYQQLDLV-LBPRGKRZSA-N 1 0 251.326 2.060 10 10 CECERO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c1 ZINC000184934250 262034126 /nfs/dbraw/zinc/03/41/26/262034126.db2.gz LPSWGAAPOCUUQP-ZIAGYGMSSA-N 1 0 278.396 2.072 10 10 CECERO Cc1cc(C(=O)NCC2C[NH2+]C2)c(C)n1-c1ccccc1 ZINC000262018428 329997708 /nfs/dbraw/zinc/99/77/08/329997708.db2.gz LSQCKSXCWBUAGV-UHFFFAOYSA-N 1 0 283.375 2.043 10 10 CECERO CC(C)(C)[NH2+]Cc1ccc(N2CCS(=O)CC2)cc1 ZINC000062737418 518764355 /nfs/dbraw/zinc/76/43/55/518764355.db2.gz DVQSXFWGSFXZFV-UHFFFAOYSA-N 1 0 280.437 2.143 10 10 CECERO C[C@@H](O)CN(C)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062738167 525785515 /nfs/dbraw/zinc/78/55/15/525785515.db2.gz ZNYDBGXYMXOVNV-GFCCVEGCSA-N 1 0 250.386 2.392 10 10 CECERO CO[C@H]1C=CC2=CC[N@@H+]3CCc4cc(O)c(O)cc4[C@@]23C1 ZINC000015203706 571735275 /nfs/dbraw/zinc/73/52/75/571735275.db2.gz GNBQGLMYBIWCOO-SUMWQHHRSA-N 1 0 285.343 2.066 10 10 endogenous,in-man CECERO CC(=O)c1cc(F)cc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)c1O ZINC000124555368 365655581 /nfs/dbraw/zinc/65/55/81/365655581.db2.gz FNBFNELIEOAQIE-BONVTDFDSA-N 1 0 294.370 2.116 10 10 CECERO COc1ccc(N2CC[NH2+]C[C@H]2C(C)C)cc1OC ZINC000083479493 536705887 /nfs/dbraw/zinc/70/58/87/536705887.db2.gz DKXOADAUHBRJTR-ZDUSSCGKSA-N 1 0 264.369 2.138 10 10 CECERO CCCOc1cc(N2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000111051316 186348541 /nfs/dbraw/zinc/34/85/41/186348541.db2.gz FIKFDSFZUJDENX-NSHDSACASA-N 1 0 279.340 2.169 10 10 CECERO C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1O)[C@@H]1CCCO1 ZINC000020206778 171071061 /nfs/dbraw/zinc/07/10/61/171071061.db2.gz JJIHQFBGCMKOGY-RBZYPMLTSA-N 1 0 251.326 2.316 10 10 CECERO Cc1c(O)c(O)cc2c1[C@@H](c1ccc(O)cc1)C[NH2+]CC2 ZINC000026396331 171482076 /nfs/dbraw/zinc/48/20/76/171482076.db2.gz DTGMXOHYVKKNMC-CQSZACIVSA-N 1 0 285.343 2.389 10 10 CECERO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000183257790 329248865 /nfs/dbraw/zinc/24/88/65/329248865.db2.gz ZZOINAVDBIXEPC-GFCCVEGCSA-N 1 0 290.342 2.035 10 10 CECERO CC[NH2+][C@H](C)c1ccc(N(C)C[C@@H](C)O)c(F)c1 ZINC000051821040 520178703 /nfs/dbraw/zinc/17/87/03/520178703.db2.gz PCPIBPQKBVRAAF-GHMZBOCLSA-N 1 0 254.349 2.313 10 10 CECERO Cc1cc(C[NH2+]C(C)(C)C)ccc1N(C)CCO ZINC000050560700 524751954 /nfs/dbraw/zinc/75/19/54/524751954.db2.gz LKOUAWIWYHPPPT-UHFFFAOYSA-N 1 0 250.386 2.312 10 10 CECERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc2c(c1)OCCO2 ZINC000083456581 536169903 /nfs/dbraw/zinc/16/99/03/536169903.db2.gz AZOSFJUHRRLEAB-NEPJUHHUSA-N 1 0 262.353 2.035 10 10 CECERO [NH3+]C[C@@H]1CCCN1Cc1cc(Br)ccc1O ZINC000220298736 628824730 /nfs/dbraw/zinc/82/47/30/628824730.db2.gz SXZQDYPOSSHDNH-NSHDSACASA-N 1 0 285.185 2.078 10 10 CECERO COc1cccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1O ZINC000128489989 365791415 /nfs/dbraw/zinc/79/14/15/365791415.db2.gz ODTUHQRILVQBRG-LBPRGKRZSA-N 1 0 287.363 2.124 10 10 CECERO C[C@H]([NH3+])c1ccc(N2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000103961703 136553703 /nfs/dbraw/zinc/55/37/03/136553703.db2.gz FJSMGPMLXDMSPI-GXSJLCMTSA-N 1 0 281.787 2.061 10 10 CECERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000147453917 366575316 /nfs/dbraw/zinc/57/53/16/366575316.db2.gz CCJDDQICEAFIMA-ZDUSSCGKSA-N 1 0 292.379 2.037 10 10 CECERO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000226610883 370348646 /nfs/dbraw/zinc/34/86/46/370348646.db2.gz INRNHCALACEULP-GWCFXTLKSA-N 1 0 253.317 2.172 10 10 CECERO C[NH+]1CCC(C)(C[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000227521003 394473317 /nfs/dbraw/zinc/47/33/17/394473317.db2.gz PUESARCECKASDX-UHFFFAOYSA-N 1 0 266.360 2.353 10 10 CECERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1nncn1C ZINC000038007587 280920841 /nfs/dbraw/zinc/92/08/41/280920841.db2.gz DNHNQDOVQBAUDG-GHMZBOCLSA-N 1 0 272.352 2.167 10 10 CECERO COc1cc(Cl)cc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1O ZINC000230976109 333323169 /nfs/dbraw/zinc/32/31/69/333323169.db2.gz RCIJVOHANSQNEX-MFKMUULPSA-N 1 0 298.814 2.436 10 10 CECERO C[C@@H]([NH3+])c1ccc(N2CCC[C@@H]2CO)c(Cl)c1 ZINC000061696198 525025628 /nfs/dbraw/zinc/02/56/28/525025628.db2.gz HFKNQZGZDATOBS-MWLCHTKSSA-N 1 0 254.761 2.321 10 10 CECERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(OC)cc1OC ZINC000083479463 535825168 /nfs/dbraw/zinc/82/51/68/535825168.db2.gz NRXGJZAEYCLOFS-NWDGAFQWSA-N 1 0 264.369 2.281 10 10 CECERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(OC)c(F)c1 ZINC000083393343 536169800 /nfs/dbraw/zinc/16/98/00/536169800.db2.gz HEIDUQCYDPNCEW-MNOVXSKESA-N 1 0 252.333 2.411 10 10 CECERO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccc2ccccc2c1O ZINC000050394344 623406657 /nfs/dbraw/zinc/40/66/57/623406657.db2.gz DADBNXMWLUKFCY-IAQYHMDHSA-N 1 0 284.359 2.475 10 10 CECERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)c1 ZINC000182460146 628159300 /nfs/dbraw/zinc/15/93/00/628159300.db2.gz XQSXAOJIKCNFCO-VXGBXAGGSA-N 1 0 297.395 2.227 10 10 CECERO COCCN1CC[N@H+](Cc2cc(C)cc(C)c2O)C[C@H]1C ZINC000164341805 639366555 /nfs/dbraw/zinc/36/65/55/639366555.db2.gz RGYVBMRLHLNHIO-OAHLLOKOSA-N 1 0 292.423 2.162 10 10 CECERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000165250193 639420189 /nfs/dbraw/zinc/42/01/89/639420189.db2.gz YWTNHINRJWXJJC-WMLDXEAASA-N 1 0 291.439 2.124 10 10 CECERO COc1ccc(O)c(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000131912509 652480535 /nfs/dbraw/zinc/48/05/35/652480535.db2.gz JGUFZJYISLBBAB-QWRGUYRKSA-N 1 0 251.326 2.010 10 10 CECERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000136378322 653070987 /nfs/dbraw/zinc/07/09/87/653070987.db2.gz IIDDKUGUNWGZCC-OAHLLOKOSA-N 1 0 277.412 2.084 10 10 CECERO COC(=O)C(C=Cc1ccc(Br)cc1)[N+]#N ZINC000584610255 344964798 /nfs/dbraw/zinc/96/47/98/344964798.db2.gz UIUHDDJDIILWFR-QPJJXVBHSA-N 1 0 281.109 2.306 10 10 CECERO Oc1ccc([C@H]2C[NH2+]CCc3c(F)c(O)c(O)cc32)cc1 ZINC000026390151 361638660 /nfs/dbraw/zinc/63/86/60/361638660.db2.gz VCANAEDMYJEQEH-CYBMUJFWSA-N 1 0 289.306 2.220 10 10 CECERO CC(C)[NH2+][C@H]1[C@@H]2CC[C@@H](C2)[C@@]1(O)c1ccc(O)c(O)c1 ZINC000027983462 361665488 /nfs/dbraw/zinc/66/54/88/361665488.db2.gz KEUBXSDYVDQAIJ-LZJQFABFSA-N 1 0 277.364 2.082 10 10 CECERO C[C@@H](C[NH2+]Cc1cccc(F)c1[O-])C[NH+]1CCCC1 ZINC000158765101 366860045 /nfs/dbraw/zinc/86/00/45/366860045.db2.gz ZFGVWZMVRDTINE-LBPRGKRZSA-N 1 0 266.360 2.353 10 10 CECERO CC[C@@H](C)[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC000160229004 366983664 /nfs/dbraw/zinc/98/36/64/366983664.db2.gz RQZMBDXFAIWOFC-GFCCVEGCSA-N 1 0 266.360 2.447 10 10 CECERO CC[C@H]1COCCN1c1ccc(C[NH2+]C)cc1F ZINC000036327432 134819592 /nfs/dbraw/zinc/81/95/92/134819592.db2.gz HAOAECARFYKWHI-LBPRGKRZSA-N 1 0 252.333 2.160 10 10 CECERO Oc1ccc(-c2csc3[n+]2CCS3)cc1O ZINC000005944064 170160481 /nfs/dbraw/zinc/16/04/81/170160481.db2.gz SDWHWPTUDUKQHI-UHFFFAOYSA-O 1 0 252.340 2.220 10 10 CECERO Oc1cc2c(cc1O)C[C@@H](Cc1ccccc1)[NH2+]C2 ZINC000013896117 170607028 /nfs/dbraw/zinc/60/70/28/170607028.db2.gz FBQLLJKFEIWIRB-CQSZACIVSA-N 1 0 255.317 2.355 10 10 CECERO C[NH2+]CC[C@@H]1CCN(c2ccc(OC)cc2OC)C1 ZINC000076368798 177005654 /nfs/dbraw/zinc/00/56/54/177005654.db2.gz DOLZNXXFUGJQLG-GFCCVEGCSA-N 1 0 264.369 2.140 10 10 CECERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)c(O)c1 ZINC000185663082 262064994 /nfs/dbraw/zinc/06/49/94/262064994.db2.gz OUQBVLCMUJVEIL-DGCLKSJQSA-N 1 0 272.352 2.478 10 10 CECERO COc1cc(Cl)cc(CN2CC[C@@H]([NH+](C)C)C2)c1O ZINC000229120787 333300684 /nfs/dbraw/zinc/30/06/84/333300684.db2.gz OPWMJGDVGLZNNS-GFCCVEGCSA-N 1 0 284.787 2.190 10 10 CECERO Oc1ccc2ccccc2c1C[NH2+]C[C@H](O)C1CC1 ZINC000071299629 526355896 /nfs/dbraw/zinc/35/58/96/526355896.db2.gz XQGJGMXZQGYMMY-INIZCTEOSA-N 1 0 257.333 2.406 10 10 CECERO CCN1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226586130 639554418 /nfs/dbraw/zinc/55/44/18/639554418.db2.gz DFHMLJLFOGBKLJ-ZDUSSCGKSA-N 1 0 252.333 2.105 10 10 CECERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000123303808 365636966 /nfs/dbraw/zinc/63/69/66/365636966.db2.gz JTJFNZQGSUUQHU-LSDHHAIUSA-N 1 0 291.439 2.124 10 10 CECERO CCCOc1cc(N(C)CCC[NH+](C)C)ccc1N ZINC000111132250 186356475 /nfs/dbraw/zinc/35/64/75/186356475.db2.gz LQBWIHBHYUDTNC-UHFFFAOYSA-N 1 0 265.401 2.446 10 10 CECERO CCC[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000120498437 365432874 /nfs/dbraw/zinc/43/28/74/365432874.db2.gz ODUADIXLPBRXMB-MRXNPFEDSA-N 1 0 291.439 2.441 10 10 CECERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180017577 368363137 /nfs/dbraw/zinc/36/31/37/368363137.db2.gz JVDDQRULUVTQLB-CQSZACIVSA-N 1 0 294.370 2.412 10 10 CECERO CC(C)[C@@H](C[NH2+][C@H](C)c1cc(O)ccc1O)N(C)C ZINC000020145711 171031111 /nfs/dbraw/zinc/03/11/11/171031111.db2.gz GIXBDXRAMWEFBY-BXUZGUMPSA-N 1 0 266.385 2.335 10 10 CECERO C[NH2+]Cc1cc(F)c(N(C)C2CCOCC2)c(F)c1 ZINC000062711207 522109994 /nfs/dbraw/zinc/10/99/94/522109994.db2.gz LSQDFGLPRUPEQC-UHFFFAOYSA-N 1 0 270.323 2.299 10 10 CECERO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093606973 629226181 /nfs/dbraw/zinc/22/61/81/629226181.db2.gz YMRVBUZUNZWVBV-GASCZTMLSA-N 1 0 290.407 2.132 10 10 CECERO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]([NH3+])C(C)C ZINC000136386753 653071503 /nfs/dbraw/zinc/07/15/03/653071503.db2.gz QMBWKCIHZBYJGE-INIZCTEOSA-N 1 0 291.439 2.475 10 10 CECERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccccc1O ZINC000037166808 361902586 /nfs/dbraw/zinc/90/25/86/361902586.db2.gz XOYOXDGWMXHJJT-CQSZACIVSA-N 1 0 250.386 2.458 10 10 CECERO COc1cccc(C[NH2+]Cc2ccc(O)cc2)c1O ZINC000083431889 178443145 /nfs/dbraw/zinc/44/31/45/178443145.db2.gz FOGYCACIHVLZMO-UHFFFAOYSA-N 1 0 259.305 2.396 10 10 CECERO CC(C)CN(c1ccc2c(c1)NC(=O)[C@H]2[NH3+])C1CC1 ZINC000103424526 185839345 /nfs/dbraw/zinc/83/93/45/185839345.db2.gz GWTPMGIUJAKDCU-AWEZNQCLSA-N 1 0 259.353 2.263 10 10 CECERO C[N@H+]1Cc2c(N)cccc2[C@@H](c2ccc(O)c(O)c2)C1 ZINC000027102844 361648653 /nfs/dbraw/zinc/64/86/53/361648653.db2.gz ODIYTWXTFQEXKZ-GFCCVEGCSA-N 1 0 270.332 2.257 10 10 CECERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cc(F)ccc1O ZINC000245892153 370885280 /nfs/dbraw/zinc/88/52/80/370885280.db2.gz ONYUDSCKYKSCNW-DUFXMDAXSA-N 1 0 253.317 2.485 10 10 CECERO C[C@@H]1CN(c2ccc(OC(F)F)cc2)[C@H](C)C[NH2+]1 ZINC000083415161 135020082 /nfs/dbraw/zinc/02/00/82/135020082.db2.gz ISVRRAAEEUSHBV-NXEZZACHSA-N 1 0 256.296 2.475 10 10 CECERO CC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CCN1CCOC ZINC000120962679 394789744 /nfs/dbraw/zinc/78/97/44/394789744.db2.gz JCCRYQPEHRAVKW-MRXNPFEDSA-N 1 0 292.423 2.243 10 10 CECERO [O-]c1c(F)cccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000158676075 395051019 /nfs/dbraw/zinc/05/10/19/395051019.db2.gz MIYQNRSMUCYCGI-UHFFFAOYSA-N 1 0 266.360 2.497 10 10 CECERO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccc(N)cc2)C1 ZINC000022178257 171371347 /nfs/dbraw/zinc/37/13/47/171371347.db2.gz HOJDOBJURZCKKH-RYUDHWBXSA-N 1 0 261.369 2.185 10 10 CECERO Oc1cc2c(c(-c3ccccc3)c1O)CC[NH2+]CC2 ZINC000029551370 171602834 /nfs/dbraw/zinc/60/28/34/171602834.db2.gz XDPVSUUYFHXECY-UHFFFAOYSA-N 1 0 255.317 2.453 10 10 CECERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(OC)c1O ZINC000184056565 262006550 /nfs/dbraw/zinc/00/65/50/262006550.db2.gz ZAWDUQDTBHCACP-HUUCEWRRSA-N 1 0 290.407 2.459 10 10 CECERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc(N(C)C)cc1 ZINC000282281122 290040827 /nfs/dbraw/zinc/04/08/27/290040827.db2.gz LAMZRZDSBOYJSI-HUBLWGQQSA-N 1 0 275.396 2.070 10 10 CECERO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000090738779 327181210 /nfs/dbraw/zinc/18/12/10/327181210.db2.gz DWSZPYLZQHMDEK-BXKDBHETSA-N 1 0 255.745 2.296 10 10 CECERO COc1cc(Cl)cc(CN2CC[C@H]([NH+](C)C)C2)c1O ZINC000229120775 333300668 /nfs/dbraw/zinc/30/06/68/333300668.db2.gz OPWMJGDVGLZNNS-LBPRGKRZSA-N 1 0 284.787 2.190 10 10 CECERO C[N@H+](CCOCC(F)(F)F)Cc1ccc(N)cc1 ZINC000049311272 522886631 /nfs/dbraw/zinc/88/66/31/522886631.db2.gz RIYZMMOUGQYBHM-UHFFFAOYSA-N 1 0 262.275 2.280 10 10 CECERO Oc1cccc(Cl)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000211685427 526363674 /nfs/dbraw/zinc/36/36/74/526363674.db2.gz BGOGTMRPLKOVLS-LLVKDONJSA-N 1 0 266.772 2.326 10 10 CECERO CC[C@@H]([NH2+]C[C@@H]1CN(CC)CCO1)c1ccccc1O ZINC000164047034 639343932 /nfs/dbraw/zinc/34/39/32/639343932.db2.gz RNFJORJYOINICP-UKRRQHHQSA-N 1 0 278.396 2.154 10 10 CECERO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164138025 639350325 /nfs/dbraw/zinc/35/03/25/639350325.db2.gz UWGAGLLJCDCJOX-OAHLLOKOSA-N 1 0 276.380 2.110 10 10 CECERO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)c(O)c1O ZINC000083385047 178392724 /nfs/dbraw/zinc/39/27/24/178392724.db2.gz PXWMWMLWIKNTQD-GXSJLCMTSA-N 1 0 251.326 2.472 10 10 CECERO Oc1ccc(Cl)cc1C[NH2+]CCc1c[nH]cn1 ZINC000083390817 178395901 /nfs/dbraw/zinc/39/59/01/178395901.db2.gz NSOAFPPYMRSDEU-UHFFFAOYSA-N 1 0 251.717 2.101 10 10 CECERO [NH3+][C@@H](CCO)c1ccc(OCc2ccccc2)cc1O ZINC000044236306 362150012 /nfs/dbraw/zinc/15/00/12/362150012.db2.gz PGLSPIUEGKGXLX-HNNXBMFYSA-N 1 0 273.332 2.353 10 10 CECERO [O-]c1ccc(Cl)c(F)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191344360 369703362 /nfs/dbraw/zinc/70/33/62/369703362.db2.gz SZEJXAKFHJJAJH-SNVBAGLBSA-N 1 0 284.762 2.465 10 10 CECERO C=C(C=C1CCC[N@@H+]1C)C1SC(=S)N(C)C1=O ZINC000038644968 174150483 /nfs/dbraw/zinc/15/04/83/174150483.db2.gz IYSUEATZWRPJFI-FKJILZIQSA-N 1 0 268.407 2.360 10 10 CECERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c1 ZINC000185114891 262041948 /nfs/dbraw/zinc/04/19/48/262041948.db2.gz QYFQVMLMMXWJRH-LSDHHAIUSA-N 1 0 292.423 2.198 10 10 CECERO CC(C)[NH2+]Cc1cc(F)c(N2CC[C@@H](O)C2)c(F)c1 ZINC000062719195 519726889 /nfs/dbraw/zinc/72/68/89/519726889.db2.gz HILMJVHAHCEPGT-LLVKDONJSA-N 1 0 270.323 2.034 10 10 CECERO COc1ccc(O)c(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000131912729 652480139 /nfs/dbraw/zinc/48/01/39/652480139.db2.gz JGUFZJYISLBBAB-GHMZBOCLSA-N 1 0 251.326 2.010 10 10 CECERO COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000180331111 368376477 /nfs/dbraw/zinc/37/64/77/368376477.db2.gz AWTIZAHLYZJMRK-GFCCVEGCSA-N 1 0 287.363 2.124 10 10 CECERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(N(C)C)cc1 ZINC000180594802 368388313 /nfs/dbraw/zinc/38/83/13/368388313.db2.gz HHDHAUSKHUQYPW-JSGCOSHPSA-N 1 0 285.395 2.010 10 10 CECERO CC1CC[NH+](CCCNCc2ccc(O)c(O)c2)CC1 ZINC000020146249 171032845 /nfs/dbraw/zinc/03/28/45/171032845.db2.gz JPVZACKLNGCPBE-UHFFFAOYSA-N 1 0 278.396 2.309 10 10 CECERO C[C@@H]1CCC[N@@H+]([C@@H](CN)c2ccc(N(C)C)cc2)C1 ZINC000022168270 171366950 /nfs/dbraw/zinc/36/69/50/171366950.db2.gz UBCGOQMXNMGGSN-CJNGLKHVSA-N 1 0 261.413 2.484 10 10 CECERO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(O)cc1O ZINC000038044105 174051661 /nfs/dbraw/zinc/05/16/61/174051661.db2.gz RZSCIBSXHDNFSM-GHMZBOCLSA-N 1 0 251.326 2.175 10 10 CECERO COc1ccc(O)c(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038095982 174110341 /nfs/dbraw/zinc/11/03/41/174110341.db2.gz PGSZJGLRTIUJEG-LBPRGKRZSA-N 1 0 251.326 2.060 10 10 CECERO Cc1ccc(O)c(C[NH2+][C@@H](CN(C)C)C(C)C)c1 ZINC000071408390 176156617 /nfs/dbraw/zinc/15/66/17/176156617.db2.gz QDPRITRDVSVKIK-AWEZNQCLSA-N 1 0 250.386 2.376 10 10 CECERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)C12CCOCC2 ZINC000186307493 262087774 /nfs/dbraw/zinc/08/77/74/262087774.db2.gz PHRWKNUVALYRIP-JKSUJKDBSA-N 1 0 291.391 2.456 10 10 CECERO CN(CC[NH2+]Cc1cccc(F)c1[O-])C(=O)OC(C)(C)C ZINC000226589206 333265871 /nfs/dbraw/zinc/26/58/71/333265871.db2.gz LYUYVPDEIVBOBM-UHFFFAOYSA-N 1 0 298.358 2.488 10 10 CECERO CCC[NH2+]Cc1ccc(N2CCC[C@H]2CO)c(C)c1 ZINC000050560937 519950702 /nfs/dbraw/zinc/95/07/02/519950702.db2.gz RXPFERDDXGDFSQ-HNNXBMFYSA-N 1 0 262.397 2.456 10 10 CECERO c1cc2c(cc1N1CC[C@H](C[NH2+]C3CC3)C1)OCCO2 ZINC000053012140 526439558 /nfs/dbraw/zinc/43/95/58/526439558.db2.gz GOBFBJKDIDUNTA-GFCCVEGCSA-N 1 0 274.364 2.036 10 10 CECERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc2c(c1)OCO2 ZINC000054601834 527145350 /nfs/dbraw/zinc/14/53/50/527145350.db2.gz QNPIRUJPRXNIED-YOGCLGLASA-N 1 0 260.337 2.264 10 10 CECERO COc1ccc(N2CC[NH2+][C@H](C(C)C)C2)c(OC)c1 ZINC000083479371 536705880 /nfs/dbraw/zinc/70/58/80/536705880.db2.gz AOMMSMFVSRVJRP-ZDUSSCGKSA-N 1 0 264.369 2.138 10 10 CECERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000252762428 622576953 /nfs/dbraw/zinc/57/69/53/622576953.db2.gz YWTNHINRJWXJJC-PBHICJAKSA-N 1 0 291.439 2.124 10 10 CECERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000165250324 639419537 /nfs/dbraw/zinc/41/95/37/639419537.db2.gz YWTNHINRJWXJJC-YOEHRIQHSA-N 1 0 291.439 2.124 10 10 CECERO COc1cc(Cl)cc(CN2CCCC[C@@H]2C[NH3+])c1O ZINC000229102590 639676697 /nfs/dbraw/zinc/67/66/97/639676697.db2.gz WLFZFSUTIRXDAO-GFCCVEGCSA-N 1 0 284.787 2.367 10 10 CECERO C[NH+](C)[C@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000134164807 652784655 /nfs/dbraw/zinc/78/46/55/652784655.db2.gz LISJANXLPDWMFF-LBPRGKRZSA-N 1 0 254.761 2.182 10 10 CECERO COc1cccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1O ZINC000128489764 365792054 /nfs/dbraw/zinc/79/20/54/365792054.db2.gz ODTUHQRILVQBRG-GFCCVEGCSA-N 1 0 287.363 2.124 10 10 CECERO COc1ccc(C2(C(=O)C[N+]#N)CCCC2)cc1OC ZINC000005918265 538770010 /nfs/dbraw/zinc/77/00/10/538770010.db2.gz MLBSSBMIOILHJH-UHFFFAOYSA-N 1 0 274.320 2.385 10 10 CECERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(F)ccc1O ZINC000180128699 368368229 /nfs/dbraw/zinc/36/82/29/368368229.db2.gz KKYUHINVKAUAPY-AWEZNQCLSA-N 1 0 266.360 2.447 10 10 CECERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282196784 375426879 /nfs/dbraw/zinc/42/68/79/375426879.db2.gz GPWAAHUYEQOKRO-DMDPSCGWSA-N 1 0 262.353 2.018 10 10 CECERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(O)cc1O ZINC000020206782 171071533 /nfs/dbraw/zinc/07/15/33/171071533.db2.gz JJIHQFBGCMKOGY-BHDSKKPTSA-N 1 0 251.326 2.316 10 10 CECERO CC[NH2+][C@@H]1CCN(c2ccc3c(c2)OCCCO3)C1 ZINC000037240563 173057194 /nfs/dbraw/zinc/05/71/94/173057194.db2.gz IYDVZLAUBIHNCI-GFCCVEGCSA-N 1 0 262.353 2.036 10 10 CECERO CC[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccccc1O ZINC000155278154 261100160 /nfs/dbraw/zinc/10/01/60/261100160.db2.gz MCLVAWNMEHMXQP-HOCLYGCPSA-N 1 0 292.423 2.280 10 10 CECERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(OC)c1O ZINC000184056585 262006383 /nfs/dbraw/zinc/00/63/83/262006383.db2.gz ZAWDUQDTBHCACP-LSDHHAIUSA-N 1 0 290.407 2.459 10 10 CECERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccccc1O ZINC000282277037 288087256 /nfs/dbraw/zinc/08/72/56/288087256.db2.gz KURXHHAYYKWFCS-DRZSPHRISA-N 1 0 262.353 2.100 10 10 CECERO CC(C)C(=O)N1CCC([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000165016338 331305650 /nfs/dbraw/zinc/30/56/50/331305650.db2.gz GCKYRQLIXSSTGK-UHFFFAOYSA-N 1 0 294.370 2.268 10 10 CECERO [NH3+]Cc1ccc(N2CCCC[C@@H]2CO)c(Cl)c1 ZINC000062792978 527254649 /nfs/dbraw/zinc/25/46/49/527254649.db2.gz PVQBHFNFNDSONC-LLVKDONJSA-N 1 0 254.761 2.150 10 10 CECERO CC[C@H]1CN(c2ccc(OC)c(F)c2)[C@H](C)C[NH2+]1 ZINC000083393325 536160660 /nfs/dbraw/zinc/16/06/60/536160660.db2.gz ZSZSKZBHJVYLOS-MNOVXSKESA-N 1 0 252.333 2.411 10 10 CECERO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(O)cc1C ZINC000160270652 622752907 /nfs/dbraw/zinc/75/29/07/622752907.db2.gz MWNULJBYGNUWHG-ZFWWWQNUSA-N 1 0 290.407 2.378 10 10 CECERO CCOc1cccc(C[NH2+]C2CC(OC)C2)c1O ZINC000230690002 639781885 /nfs/dbraw/zinc/78/18/85/639781885.db2.gz UAVRISVDWKAPAM-UHFFFAOYSA-N 1 0 251.326 2.058 10 10 CECERO CCC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)[NH+](C)C ZINC000152375248 640216670 /nfs/dbraw/zinc/21/66/70/640216670.db2.gz VWAVMWOKDYKNMH-BXUZGUMPSA-N 1 0 294.395 2.308 10 10 CECERO CCOc1cccc(C[NH2+][C@H](C)[C@H]2CCCO2)c1O ZINC000020206655 649739799 /nfs/dbraw/zinc/73/97/99/649739799.db2.gz UIQBECKHJRJDHA-DGCLKSJQSA-N 1 0 265.353 2.448 10 10 CECERO CCCN(Cc1nnc(CC)n1C)Cc1ccccc1O ZINC000170779128 367413705 /nfs/dbraw/zinc/41/37/05/367413705.db2.gz FVUZPMRTFUAZJI-UHFFFAOYSA-N 1 0 288.395 2.495 10 10 CECERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)c(O)c1 ZINC000282494903 375498425 /nfs/dbraw/zinc/49/84/25/375498425.db2.gz XRTZJZYAKXXTHB-LOWVWBTDSA-N 1 0 262.353 2.018 10 10 CECERO CC(C)[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)N(C)C ZINC000020145401 171030318 /nfs/dbraw/zinc/03/03/18/171030318.db2.gz KVAICGIDNRDCSQ-INIZCTEOSA-N 1 0 263.429 2.428 10 10 CECERO C[C@@H](c1ccccc1O)N(C)C(=O)CCCCC[NH3+] ZINC000037826503 173782724 /nfs/dbraw/zinc/78/27/24/173782724.db2.gz AXDKUHZOHSBVRX-LBPRGKRZSA-N 1 0 264.369 2.431 10 10 CECERO Nc1cccc2c1CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC000038032665 174028369 /nfs/dbraw/zinc/02/83/69/174028369.db2.gz JGKMEDPYVOCMHO-UHFFFAOYSA-N 1 0 270.332 2.238 10 10 CECERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccccc1O ZINC000282277041 288065141 /nfs/dbraw/zinc/06/51/41/288065141.db2.gz KURXHHAYYKWFCS-KGYLQXTDSA-N 1 0 262.353 2.100 10 10 CECERO CO[C@H]1C=CC2=CC[N@@H+]3CCc4cc(O)c(O)cc4[C@]23C1 ZINC000015203703 571735175 /nfs/dbraw/zinc/73/51/75/571735175.db2.gz GNBQGLMYBIWCOO-GUYCJALGSA-N 1 0 285.343 2.066 10 10 endogenous,in-man CECERO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164351382 639366403 /nfs/dbraw/zinc/36/64/03/639366403.db2.gz CPYQMDFHEQOAPM-CYBMUJFWSA-N 1 0 277.364 2.394 10 10 CECERO C[C@H]([NH3+])c1ccc(N2CCC[C@@H](O)C2)c(Cl)c1 ZINC000103956278 136525100 /nfs/dbraw/zinc/52/51/00/136525100.db2.gz IMDFOZPUCBXSMC-GXSJLCMTSA-N 1 0 254.761 2.321 10 10 CECERO CC[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@@H](CC)C[NH2+]1 ZINC000083548505 135029037 /nfs/dbraw/zinc/02/90/37/135029037.db2.gz YCCSQEAZLLJYNF-OLZOCXBDSA-N 1 0 276.380 2.425 10 10 CECERO C[N@H+](CCc1ccccn1)Cc1cc(N)ccc1O ZINC000037272941 173084502 /nfs/dbraw/zinc/08/45/02/173084502.db2.gz XTSIOUNRYVCAKI-UHFFFAOYSA-N 1 0 257.337 2.044 10 10 CECERO CN(Cc1c(O)cccc1Cl)C[C@H]1CC[N@H+](C)C1 ZINC000156018944 261111487 /nfs/dbraw/zinc/11/14/87/261111487.db2.gz HPXWTZBKLGWPIQ-NSHDSACASA-N 1 0 268.788 2.429 10 10 CECERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000282281137 278280362 /nfs/dbraw/zinc/28/03/62/278280362.db2.gz LAMZRZDSBOYJSI-ZOWXZIJZSA-N 1 0 275.396 2.070 10 10 CECERO COc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1O ZINC000077204631 326923100 /nfs/dbraw/zinc/92/31/00/326923100.db2.gz VBCLNJXEGIFHHK-AAEUAGOBSA-N 1 0 265.353 2.042 10 10 CECERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000219018048 333140319 /nfs/dbraw/zinc/14/03/19/333140319.db2.gz AWFWABBLLIRBSS-LSDHHAIUSA-N 1 0 261.365 2.262 10 10 CECERO CC[NH2+]Cc1cc(F)c(N2CCOC[C@@H]2C)c(F)c1 ZINC000062710743 519993166 /nfs/dbraw/zinc/99/31/66/519993166.db2.gz WKYZZXSXAPSMMK-JTQLQIEISA-N 1 0 270.323 2.299 10 10 CECERO CC[NH2+]Cc1cc(F)c(N2CCC(O)CC2)c(F)c1 ZINC000062709622 519993906 /nfs/dbraw/zinc/99/39/06/519993906.db2.gz CJGQDBAQBWNXJI-UHFFFAOYSA-N 1 0 270.323 2.035 10 10 CECERO COc1cc(C[NH+]2CCC([C@@H](C)O)CC2)c(O)cc1C ZINC000160247165 622668399 /nfs/dbraw/zinc/66/83/99/622668399.db2.gz IQOARYGINVDJLM-GFCCVEGCSA-N 1 0 279.380 2.302 10 10 CECERO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070575986 641684780 /nfs/dbraw/zinc/68/47/80/641684780.db2.gz QXJMDWHQBLJTAJ-GJZGRUSLSA-N 1 0 289.423 2.229 10 10 CECERO Oc1ccccc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000185223066 641951259 /nfs/dbraw/zinc/95/12/59/641951259.db2.gz RGWAYYJPYNBPAT-AWEZNQCLSA-N 1 0 257.337 2.253 10 10 CECERO CCCOc1cc(N2CC[C@@H]([NH+](C)C)C2)ccc1N ZINC000111056188 186349306 /nfs/dbraw/zinc/34/93/06/186349306.db2.gz ZVBHOGZYXAXQMK-CYBMUJFWSA-N 1 0 263.385 2.198 10 10 CECERO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204329 363948854 /nfs/dbraw/zinc/94/88/54/363948854.db2.gz MJLVYSAKLJAXHL-NSHDSACASA-N 1 0 291.351 2.398 10 10 CECERO CCOc1ccc(O)c(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245731956 370864907 /nfs/dbraw/zinc/86/49/07/370864907.db2.gz JYQQCRTXAICDRQ-AWEZNQCLSA-N 1 0 276.380 2.071 10 10 CECERO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000226610901 370349007 /nfs/dbraw/zinc/34/90/07/370349007.db2.gz INRNHCALACEULP-ZWNOBZJWSA-N 1 0 253.317 2.172 10 10 CECERO C[C@H]([NH3+])c1ccc(N2CCC(CO)CC2)c(F)c1 ZINC000034959117 134786863 /nfs/dbraw/zinc/78/68/63/134786863.db2.gz FFHCQKNCCLCPJT-JTQLQIEISA-N 1 0 252.333 2.054 10 10 CECERO C[C@@H]([NH3+])c1ccc(N2C[C@H](C)OC[C@H]2C)c(F)c1 ZINC000035787008 134804693 /nfs/dbraw/zinc/80/46/93/134804693.db2.gz PVTFGTXRDIRQEH-OUAUKWLOSA-N 1 0 252.333 2.459 10 10 CECERO Oc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1O ZINC000020124344 171006498 /nfs/dbraw/zinc/00/64/98/171006498.db2.gz QKVYICSVLUGAJE-UHFFFAOYSA-N 1 0 273.288 2.116 10 10 CECERO Oc1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)c(O)c1 ZINC000020137779 171025222 /nfs/dbraw/zinc/02/52/22/171025222.db2.gz VQFLXHGSLGKGDB-ZDUSSCGKSA-N 1 0 287.315 2.027 10 10 CECERO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(O)cc1O ZINC000038044104 174051624 /nfs/dbraw/zinc/05/16/24/174051624.db2.gz RZSCIBSXHDNFSM-WDEREUQCSA-N 1 0 251.326 2.175 10 10 CECERO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)c(O)c1 ZINC000184935661 262034065 /nfs/dbraw/zinc/03/40/65/262034065.db2.gz GBBBFYQWBDABFX-UONOGXRCSA-N 1 0 278.396 2.072 10 10 CECERO CC[C@H]1CN(c2ccc(OC)cc2OC)[C@H](C)C[NH2+]1 ZINC000083479424 536160293 /nfs/dbraw/zinc/16/02/93/536160293.db2.gz TVWMBPAPEPPAEQ-NEPJUHHUSA-N 1 0 264.369 2.281 10 10 CECERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880112 519342025 /nfs/dbraw/zinc/34/20/25/519342025.db2.gz JHVGXCGYFFUGQS-CYBMUJFWSA-N 1 0 294.395 2.187 10 10 CECERO C[NH2+]Cc1cc(F)c(N(CCOC)C2CC2)c(F)c1 ZINC000062712830 522112040 /nfs/dbraw/zinc/11/20/40/522112040.db2.gz JEGVFKIYOJICIO-UHFFFAOYSA-N 1 0 270.323 2.299 10 10 CECERO CC[C@H]1C(=O)NCCN1c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000104138102 185907575 /nfs/dbraw/zinc/90/75/75/185907575.db2.gz QKOBEQWGXHXYRK-SKDRFNHKSA-N 1 0 281.787 2.075 10 10 CECERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2O)CC1 ZINC000106249967 186104719 /nfs/dbraw/zinc/10/47/19/186104719.db2.gz JRKBVFRYGIPTMI-HOMQSWHASA-N 1 0 251.326 2.472 10 10 CECERO CCCOc1cc(N2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000111050644 186348578 /nfs/dbraw/zinc/34/85/78/186348578.db2.gz DRIQKASUZTULLM-UHFFFAOYSA-N 1 0 279.340 2.311 10 10 CECERO Oc1ccc2c(c1O)Cc1cccc3c1[C@@H]2C[NH2+]C3 ZINC000012355964 361378984 /nfs/dbraw/zinc/37/89/84/361378984.db2.gz ZQTSNGJHMUKLOM-CYBMUJFWSA-N 1 0 253.301 2.237 10 10 CECERO [NH3+]CCCNc1cccc2c1C(=O)c1ccccc1C2=O ZINC000027420751 361653130 /nfs/dbraw/zinc/65/31/30/361653130.db2.gz MLVKRZHLEQPZTP-UHFFFAOYSA-N 1 0 280.327 2.223 10 10 CECERO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000180052742 368366111 /nfs/dbraw/zinc/36/61/11/368366111.db2.gz JQEJLTLPLBGNPU-HNNXBMFYSA-N 1 0 287.363 2.471 10 10 CECERO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccccc1O ZINC000183547398 395259757 /nfs/dbraw/zinc/25/97/57/395259757.db2.gz UBWJFCORVGWLIG-ZYHUDNBSSA-N 1 0 258.325 2.169 10 10 CECERO CN(C)c1ccc(C[N@H+](CCN)C2CCCC2)cc1 ZINC000076673463 177054706 /nfs/dbraw/zinc/05/47/06/177054706.db2.gz APCZGBYLODTQSU-UHFFFAOYSA-N 1 0 261.413 2.456 10 10 CECERO CC(C)CCN(CC[NH3+])c1ccc2c(c1)OCCO2 ZINC000076680213 177058075 /nfs/dbraw/zinc/05/80/75/177058075.db2.gz CJLFZKKOFSQBIF-UHFFFAOYSA-N 1 0 264.369 2.269 10 10 CECERO [NH3+]C[C@H]1O[C@H](c2ccccc2)Cc2c(O)c(O)ccc21 ZINC000006885549 279657894 /nfs/dbraw/zinc/65/78/94/279657894.db2.gz SUHGRZPINGKYNV-LSDHHAIUSA-N 1 0 271.316 2.412 10 10 in-vitro CECERO C[NH2+]CCN(C)C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000237345241 522004976 /nfs/dbraw/zinc/00/49/76/522004976.db2.gz LMEUOHVMUOMJJJ-UHFFFAOYSA-N 1 0 285.391 2.386 10 10 CECERO C[C@H]1CN(c2c(F)cc(C[NH3+])cc2F)CCCO1 ZINC000062719253 524665407 /nfs/dbraw/zinc/66/54/07/524665407.db2.gz HTXUJTLDQXQNJP-VIFPVBQESA-N 1 0 256.296 2.039 10 10 CECERO Cc1cc(C[NH2+]C2CC2)ccc1N1CCC[C@@H](O)C1 ZINC000050561433 524753203 /nfs/dbraw/zinc/75/32/03/524753203.db2.gz XRMQEXFMCPYGRC-OAHLLOKOSA-N 1 0 260.381 2.208 10 10 CECERO CCC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)[NH+](C)C ZINC000152374986 640216498 /nfs/dbraw/zinc/21/64/98/640216498.db2.gz VWAVMWOKDYKNMH-FZMZJTMJSA-N 1 0 294.395 2.308 10 10 CECERO CCOc1cccc(CN2C[C@H](C)[C@H]([NH+](C)C)C2)c1O ZINC000131475861 366057228 /nfs/dbraw/zinc/05/72/28/366057228.db2.gz CZBSRYFAZUNNRH-GXTWGEPZSA-N 1 0 278.396 2.173 10 10 CECERO C[C@@H]1C[NH2+]CCN1c1ccc(OC(F)(F)F)cc1 ZINC000083433803 135021033 /nfs/dbraw/zinc/02/10/33/135021033.db2.gz HZKLRBQUOPEGKO-SECBINFHSA-N 1 0 260.259 2.383 10 10 CECERO C[C@H]1C[NH+](CCCC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000022153023 171360114 /nfs/dbraw/zinc/36/01/14/171360114.db2.gz HUUPOEPUOLCQJV-STQMWFEESA-N 1 0 291.395 2.097 10 10 CECERO CC[C@H]([NH2+]CCCC(=O)OC)c1ccccc1O ZINC000037416253 173193089 /nfs/dbraw/zinc/19/30/89/173193089.db2.gz AGKOIWOZJZDJOE-LBPRGKRZSA-N 1 0 251.326 2.386 10 10 CECERO Cc1nccc(C[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000038037439 174037337 /nfs/dbraw/zinc/03/73/37/174037337.db2.gz YADLMDFDLMDOEO-UHFFFAOYSA-N 1 0 263.728 2.434 10 10 CECERO CC[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccccc1O ZINC000155278354 261099785 /nfs/dbraw/zinc/09/97/85/261099785.db2.gz MCLVAWNMEHMXQP-ZBFHGGJFSA-N 1 0 292.423 2.280 10 10 CECERO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1O ZINC000156503569 261124720 /nfs/dbraw/zinc/12/47/20/261124720.db2.gz RNFGHVHLNJOKRA-AAEUAGOBSA-N 1 0 272.352 2.039 10 10 CECERO COc1cc(Cl)cc(CN2C[C@H](C)[C@H]([NH+](C)C)C2)c1O ZINC000229119717 333300693 /nfs/dbraw/zinc/30/06/93/333300693.db2.gz RCIJVOHANSQNEX-GXFFZTMASA-N 1 0 298.814 2.436 10 10 CECERO CC(=O)N1CCN(c2ccc([C@H](C)[NH3+])cc2Cl)CC1 ZINC000061694298 519591874 /nfs/dbraw/zinc/59/18/74/519591874.db2.gz SSTRGYMATXRVDS-JTQLQIEISA-N 1 0 281.787 2.028 10 10 CECERO COc1ccc(N2CC[C@@H](C[NH2+]C3CC3)C2)cc1OC ZINC000053011199 524441218 /nfs/dbraw/zinc/44/12/18/524441218.db2.gz PRGBQAZOMPJFOY-LBPRGKRZSA-N 1 0 276.380 2.282 10 10 CECERO Cc1cc(C[NH2+]CC(C)C)ccc1N1CC[C@H](O)C1 ZINC000062738268 524753298 /nfs/dbraw/zinc/75/32/98/524753298.db2.gz LYRLTBSWJTUXLD-HNNXBMFYSA-N 1 0 262.397 2.312 10 10 CECERO CC[C@H]1CN(c2ccc3c(c2)OCO3)[C@@H](CC)C[NH2+]1 ZINC000083456587 536161422 /nfs/dbraw/zinc/16/14/22/536161422.db2.gz FLWKUWPMOVHPRV-RYUDHWBXSA-N 1 0 262.353 2.382 10 10 CECERO C[C@H](O)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000173358212 639853174 /nfs/dbraw/zinc/85/31/74/639853174.db2.gz VJKGKAKILZPQJQ-LBPRGKRZSA-N 1 0 275.392 2.474 10 10 CECERO CCOc1cccc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1O ZINC000217748992 540168784 /nfs/dbraw/zinc/16/87/84/540168784.db2.gz CZBSRYFAZUNNRH-OCCSQVGLSA-N 1 0 278.396 2.173 10 10 CECERO CCOc1ccc(O)c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000245789164 370873816 /nfs/dbraw/zinc/87/38/16/370873816.db2.gz VVADUHOSRKGTLZ-UKRRQHHQSA-N 1 0 290.407 2.459 10 10 CECERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)c(O)c1 ZINC000282494901 375498946 /nfs/dbraw/zinc/49/89/46/375498946.db2.gz XRTZJZYAKXXTHB-GVXVVHGQSA-N 1 0 262.353 2.018 10 10 CECERO [NH3+]Cc1cc(F)c(N2CCC2)cc1Br ZINC000306213475 376544660 /nfs/dbraw/zinc/54/46/60/376544660.db2.gz XCTHYQYMOQJCID-UHFFFAOYSA-N 1 0 259.122 2.257 10 10 CECERO CC[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@H](CC)C[NH2+]1 ZINC000083548503 135029059 /nfs/dbraw/zinc/02/90/59/135029059.db2.gz YCCSQEAZLLJYNF-CHWSQXEVSA-N 1 0 276.380 2.425 10 10 CECERO CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(O)ccc1O)N(C)C ZINC000020145709 171031331 /nfs/dbraw/zinc/03/13/31/171031331.db2.gz GIXBDXRAMWEFBY-SMDDNHRTSA-N 1 0 266.385 2.335 10 10 CECERO Nc1cccc(Cl)c1N[C@@H]1C[NH+]2CCC1CC2 ZINC000020383778 171173969 /nfs/dbraw/zinc/17/39/69/171173969.db2.gz OPEBRVNGWVXUFU-GFCCVEGCSA-N 1 0 251.761 2.428 10 10 CECERO COc1cc(O)c(C[N@@H+]2CCS[C@@H](C)C2)cc1OC ZINC000160145206 261205902 /nfs/dbraw/zinc/20/59/02/261205902.db2.gz JDZQSQLIKGLJFN-JTQLQIEISA-N 1 0 283.393 2.347 10 10 CECERO CC(C)[NH2+]Cc1cc(F)c(N2CC[C@H](O)C2)c(F)c1 ZINC000062719192 519726670 /nfs/dbraw/zinc/72/66/70/519726670.db2.gz HILMJVHAHCEPGT-NSHDSACASA-N 1 0 270.323 2.034 10 10 CECERO COc1ccc(N2CC[C@@H]([NH3+])C[C@H]2C)c(OC)c1 ZINC000049708148 524440244 /nfs/dbraw/zinc/44/02/44/524440244.db2.gz FAXWWWNDDOCJNU-GHMZBOCLSA-N 1 0 250.342 2.020 10 10 CECERO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000085962931 524754180 /nfs/dbraw/zinc/75/41/80/524754180.db2.gz HDMYAPKIMRKFPA-FZMZJTMJSA-N 1 0 265.353 2.042 10 10 CECERO C[C@@H]([NH3+])c1ccc(N(CCO)C2CC2)c(Br)c1 ZINC000061697498 525027510 /nfs/dbraw/zinc/02/75/10/525027510.db2.gz UZWHEAIZYBKMHV-SECBINFHSA-N 1 0 299.212 2.430 10 10 CECERO Cc1cc(N2CCC[C@@H]2CO)ccc1C[NH2+]C1CC1 ZINC000050583007 525069574 /nfs/dbraw/zinc/06/95/74/525069574.db2.gz JGTCTXKSNLTINV-MRXNPFEDSA-N 1 0 260.381 2.208 10 10 CECERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)c(O)c1 ZINC000282494895 525937906 /nfs/dbraw/zinc/93/79/06/525937906.db2.gz XRTZJZYAKXXTHB-GMXVVIOVSA-N 1 0 262.353 2.018 10 10 CECERO [NH3+]Cc1ccc(N(Cc2ncccn2)C2CC2)cc1 ZINC000054458653 527254750 /nfs/dbraw/zinc/25/47/50/527254750.db2.gz GZMOYKLIKJLSIY-UHFFFAOYSA-N 1 0 254.337 2.104 10 10 CECERO [NH3+]Cc1ccc(N2CCC(CO)CC2)cc1Cl ZINC000061845624 527255126 /nfs/dbraw/zinc/25/51/26/527255126.db2.gz PNTJWYLXCMAJQJ-UHFFFAOYSA-N 1 0 254.761 2.007 10 10 CECERO [NH3+]CC[C@H]([NH3+])c1c([O-])c(Cl)ccc1Br ZINC000306894208 344718316 /nfs/dbraw/zinc/71/83/16/344718316.db2.gz KQHQSRWGWQECIT-ZETCQYMHSA-N 1 0 279.565 2.157 10 10 CECERO Cc1ncsc1C[N@@H+](C)Cc1cc(N)ccc1O ZINC000104448194 186005673 /nfs/dbraw/zinc/00/56/73/186005673.db2.gz PAKRUMAZHHQYRA-UHFFFAOYSA-N 1 0 263.366 2.371 10 10 CECERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077204683 363546329 /nfs/dbraw/zinc/54/63/29/363546329.db2.gz PTHMOCDONDARFD-GJZGRUSLSA-N 1 0 261.365 2.262 10 10 CECERO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000151623222 366655468 /nfs/dbraw/zinc/65/54/68/366655468.db2.gz XPPWGTRSXKXLCG-CYBMUJFWSA-N 1 0 277.364 2.394 10 10 CECERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(N(C)C)cc1 ZINC000180594766 368387828 /nfs/dbraw/zinc/38/78/28/368387828.db2.gz HHDHAUSKHUQYPW-GXTWGEPZSA-N 1 0 285.395 2.010 10 10 CECERO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000131919977 394922007 /nfs/dbraw/zinc/92/20/07/394922007.db2.gz GMWISNLIGAVARS-CQSZACIVSA-N 1 0 287.363 2.471 10 10 CECERO CCOCCN1CC[N@H+](Cc2ccccc2O)C[C@H]1CC ZINC000179571779 395196727 /nfs/dbraw/zinc/19/67/27/395196727.db2.gz PYYLZCYPBBPUDF-MRXNPFEDSA-N 1 0 292.423 2.325 10 10 CECERO C[C@@H]1C[N@@H+](CCCC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000022153016 171360199 /nfs/dbraw/zinc/36/01/99/171360199.db2.gz HUUPOEPUOLCQJV-BETUJISGSA-N 1 0 291.395 2.097 10 10 CECERO C[C@H]1CCC[N@@H+]([C@@H](CN)c2ccc(N(C)C)cc2)C1 ZINC000022168273 171366988 /nfs/dbraw/zinc/36/69/88/171366988.db2.gz UBCGOQMXNMGGSN-BBRMVZONSA-N 1 0 261.413 2.484 10 10 CECERO CCOc1cccc(C[NH2+]Cc2ccnc(C)n2)c1O ZINC000038037389 174037508 /nfs/dbraw/zinc/03/75/08/174037508.db2.gz ANSCNSNCRQRCRO-UHFFFAOYSA-N 1 0 273.336 2.179 10 10 CECERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(O)cc1O ZINC000038095488 174109427 /nfs/dbraw/zinc/10/94/27/174109427.db2.gz SGQFLOHHGKHFSS-JQWIXIFHSA-N 1 0 251.326 2.318 10 10 CECERO CCC[NH2+]Cc1ccc(N2CCC[C@@H]2CO)c(C)c1 ZINC000050560935 519950309 /nfs/dbraw/zinc/95/03/09/519950309.db2.gz RXPFERDDXGDFSQ-OAHLLOKOSA-N 1 0 262.397 2.456 10 10 CECERO CC[NH2+]C[C@H]1CCN(c2ccc(OC)cc2OC)C1 ZINC000053011733 519978062 /nfs/dbraw/zinc/97/80/62/519978062.db2.gz FAKLAPDERWUJKM-GFCCVEGCSA-N 1 0 264.369 2.140 10 10 CECERO CN(CCOCC(F)(F)F)c1ccc(C[NH3+])cc1 ZINC000049310728 522888111 /nfs/dbraw/zinc/88/81/11/522888111.db2.gz IKTZQVRTKRQQDY-UHFFFAOYSA-N 1 0 262.275 2.160 10 10 CECERO [NH3+]C[C@@H]1CCCCN1Cc1cc(Cl)ccc1O ZINC000044539709 639321785 /nfs/dbraw/zinc/32/17/85/639321785.db2.gz PFNWSJYMXZGNHA-LBPRGKRZSA-N 1 0 254.761 2.359 10 10 CECERO COc1cc(Cl)cc(C[NH2+]C2CC(OC)C2)c1O ZINC000230935855 639807442 /nfs/dbraw/zinc/80/74/42/639807442.db2.gz HHRYJQAMEKKCCI-UHFFFAOYSA-N 1 0 271.744 2.321 10 10 CECERO CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1O ZINC000020206647 649740022 /nfs/dbraw/zinc/74/00/22/649740022.db2.gz UIQBECKHJRJDHA-YPMHNXCESA-N 1 0 265.353 2.448 10 10 CECERO C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H]1[NH+](C)C ZINC000131460442 652427443 /nfs/dbraw/zinc/42/74/43/652427443.db2.gz DMOCMNGNEHJTCX-MFKMUULPSA-N 1 0 268.788 2.428 10 10 CECERO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204333 363948922 /nfs/dbraw/zinc/94/89/22/363948922.db2.gz MJLVYSAKLJAXHL-LLVKDONJSA-N 1 0 291.351 2.398 10 10 CECERO Oc1cc2c3c(c1O)Cc1ccccc1[C@H]3C[NH2+]CC2 ZINC000100830062 364551931 /nfs/dbraw/zinc/55/19/31/364551931.db2.gz CDWCQDUQCKMBNF-CQSZACIVSA-N 1 0 267.328 2.280 10 10 CECERO CCOc1ccc(O)c(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000245789153 370873730 /nfs/dbraw/zinc/87/37/30/370873730.db2.gz VVADUHOSRKGTLZ-HIFRSBDPSA-N 1 0 290.407 2.459 10 10 CECERO CC[C@H]1CN(Cc2cc(F)ccc2O)CC[N@@H+]1CCOC ZINC000180100594 368368252 /nfs/dbraw/zinc/36/82/52/368368252.db2.gz JFUWIDMCKMPXFB-HNNXBMFYSA-N 1 0 296.386 2.074 10 10 CECERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000180052758 368366307 /nfs/dbraw/zinc/36/63/07/368366307.db2.gz JQEJLTLPLBGNPU-OAHLLOKOSA-N 1 0 287.363 2.471 10 10 CECERO Cn1cc([C@H]2CC[N@H+](Cc3ccccc3O)C2)cn1 ZINC000179577569 395197067 /nfs/dbraw/zinc/19/70/67/395197067.db2.gz NCGFSIGKJWUEPE-LBPRGKRZSA-N 1 0 257.337 2.115 10 10 CECERO Oc1ccc(C[NH2+]C[C@@H]2COc3ccccc3O2)c(O)c1 ZINC000020137776 171025430 /nfs/dbraw/zinc/02/54/30/171025430.db2.gz VQFLXHGSLGKGDB-CYBMUJFWSA-N 1 0 287.315 2.027 10 10 CECERO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)N1CCOCC1 ZINC000184934144 262033961 /nfs/dbraw/zinc/03/39/61/262033961.db2.gz ASKAQGXHCVCXDK-NEPJUHHUSA-N 1 0 298.814 2.417 10 10 CECERO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1O ZINC000183156249 327818201 /nfs/dbraw/zinc/81/82/01/327818201.db2.gz TVDKZKOANLDHAI-LKFCYVNXSA-N 1 0 281.327 2.391 10 10 CECERO CC[NH2+]C[C@H]1CCN(c2ccc(OC)c(OC)c2)C1 ZINC000053011210 519978270 /nfs/dbraw/zinc/97/82/70/519978270.db2.gz SHKXHEYXKUYASK-GFCCVEGCSA-N 1 0 264.369 2.140 10 10 CECERO C[C@H]([NH3+])c1ccc(N2CCC(C(N)=O)CC2)c(Cl)c1 ZINC000061694232 524864376 /nfs/dbraw/zinc/86/43/76/524864376.db2.gz XWQHRHCCKRKMMS-VIFPVBQESA-N 1 0 281.787 2.061 10 10 CECERO Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000128514279 525343032 /nfs/dbraw/zinc/34/30/32/525343032.db2.gz ZINRDKMGUVKGCR-CYBMUJFWSA-N 1 0 271.364 2.424 10 10 CECERO Oc1ccc(C[NH2+]Cc2cccs2)c(O)c1O ZINC000083384768 178391341 /nfs/dbraw/zinc/39/13/41/178391341.db2.gz JZNFWHHPLAEOMO-UHFFFAOYSA-N 1 0 251.307 2.155 10 10 CECERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1c1ccc2c(c1)OCO2 ZINC000083456592 535264839 /nfs/dbraw/zinc/26/48/39/535264839.db2.gz ZDQNYXUCIHJZAD-YPMHNXCESA-N 1 0 262.353 2.238 10 10 CECERO CC[C@H](C)[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC000160229135 366983787 /nfs/dbraw/zinc/98/37/87/366983787.db2.gz RQZMBDXFAIWOFC-LBPRGKRZSA-N 1 0 266.360 2.447 10 10 CECERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282196800 375426663 /nfs/dbraw/zinc/42/66/63/375426663.db2.gz GPWAAHUYEQOKRO-LOWVWBTDSA-N 1 0 262.353 2.018 10 10 CECERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc2c(c1)OCCO2 ZINC000083456580 135022628 /nfs/dbraw/zinc/02/26/28/135022628.db2.gz AZOSFJUHRRLEAB-VXGBXAGGSA-N 1 0 262.353 2.035 10 10 CECERO [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000158721254 395052737 /nfs/dbraw/zinc/05/27/37/395052737.db2.gz OEIGUFNUIBGMIU-NSHDSACASA-N 1 0 264.344 2.105 10 10 CECERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(OC)ccc1O ZINC000182076085 395231896 /nfs/dbraw/zinc/23/18/96/395231896.db2.gz SIEOHCVDEHZRNE-LSDHHAIUSA-N 1 0 290.407 2.459 10 10 CECERO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(N)cc2)C1 ZINC000022151500 171358408 /nfs/dbraw/zinc/35/84/08/171358408.db2.gz GFMRBYMIWMESRL-LBPRGKRZSA-N 1 0 261.369 2.329 10 10 CECERO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccc(N)cc1 ZINC000022210355 171372851 /nfs/dbraw/zinc/37/28/51/171372851.db2.gz BBMOBDAHEWUPFC-RYUDHWBXSA-N 1 0 261.369 2.470 10 10 CECERO COC(=O)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000037416632 173194208 /nfs/dbraw/zinc/19/42/08/173194208.db2.gz SEGBVLCBUPCKSP-UHFFFAOYSA-N 1 0 251.326 2.046 10 10 CECERO Cc1ccc(O)c(C[NH2+][C@H](CN(C)C)C(C)C)c1 ZINC000071408391 176156837 /nfs/dbraw/zinc/15/68/37/176156837.db2.gz QDPRITRDVSVKIK-CQSZACIVSA-N 1 0 250.386 2.376 10 10 CECERO CC[C@@H](C)N(C)CC[NH2+]Cc1cccc(F)c1[O-] ZINC000226590716 262379419 /nfs/dbraw/zinc/37/94/19/262379419.db2.gz QWXIKZAUYUDDTR-LLVKDONJSA-N 1 0 254.349 2.351 10 10 CECERO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2C)c1O ZINC000228676760 329344241 /nfs/dbraw/zinc/34/42/41/329344241.db2.gz HBXNWXZBXCGPQT-KCJUWKMLSA-N 1 0 271.744 2.321 10 10 CECERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1O ZINC000246027195 334228194 /nfs/dbraw/zinc/22/81/94/334228194.db2.gz VSHLZTVFUMXMFV-FZMZJTMJSA-N 1 0 264.344 2.200 10 10 CECERO CC(=O)c1cc(F)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000094351187 518283875 /nfs/dbraw/zinc/28/38/75/518283875.db2.gz CASZLNMEKOHVOE-CQSZACIVSA-N 1 0 292.354 2.014 10 10 CECERO CC[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2OC)C1 ZINC000053011731 519951356 /nfs/dbraw/zinc/95/13/56/519951356.db2.gz FAKLAPDERWUJKM-LBPRGKRZSA-N 1 0 264.369 2.140 10 10 CECERO CC[C@@H]1COCCN1c1ccc(C[NH3+])c(Cl)c1 ZINC000061845876 523500809 /nfs/dbraw/zinc/50/08/09/523500809.db2.gz SWKXWSQMTPIZEK-LLVKDONJSA-N 1 0 254.761 2.414 10 10 CECERO C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1[NH+](C)C ZINC000251780000 524979934 /nfs/dbraw/zinc/97/99/34/524979934.db2.gz MXCLDDVNWYAWDK-ZWNOBZJWSA-N 1 0 268.788 2.428 10 10 CECERO CCCOc1cc(N(C)CC[NH+](C)C)ccc1N ZINC000111131801 186356220 /nfs/dbraw/zinc/35/62/20/186356220.db2.gz GFZCWEZKTVDQFQ-UHFFFAOYSA-N 1 0 251.374 2.055 10 10 CECERO Cc1cccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC000180066663 368366161 /nfs/dbraw/zinc/36/61/61/368366161.db2.gz MNXBLGJKWUHEEN-CQSZACIVSA-N 1 0 272.352 2.129 10 10 CECERO CC[NH+](CC)CCOc1cc(N(C)C)ccc1N ZINC000093641448 184699303 /nfs/dbraw/zinc/69/93/03/184699303.db2.gz VLAATENDPOXWNN-UHFFFAOYSA-N 1 0 251.374 2.055 10 10 CECERO C[C@H]([NH2+]Cc1nnc2ccccn21)c1ccccc1O ZINC000020185429 171049071 /nfs/dbraw/zinc/04/90/71/171049071.db2.gz FMVZZTQJCZVFCV-NSHDSACASA-N 1 0 268.320 2.286 10 10 CECERO CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035224773 172069796 /nfs/dbraw/zinc/06/97/96/172069796.db2.gz DHEDFOMPQDELBS-CYBMUJFWSA-N 1 0 277.412 2.099 10 10 CECERO CCN(CC)c1ccc(C[NH2+]CC(OC)OC)cc1 ZINC000037388207 173171622 /nfs/dbraw/zinc/17/16/22/173171622.db2.gz UDJJIVFTTWVKNC-UHFFFAOYSA-N 1 0 266.385 2.241 10 10 CECERO COC(=O)CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000037417028 173194868 /nfs/dbraw/zinc/19/48/68/173194868.db2.gz UANZKQYXKBBGAZ-UHFFFAOYSA-N 1 0 257.717 2.088 10 10 CECERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(O)cc1O ZINC000038095489 174109475 /nfs/dbraw/zinc/10/94/75/174109475.db2.gz SGQFLOHHGKHFSS-PWSUYJOCSA-N 1 0 251.326 2.318 10 10 CECERO CC1CCN([C@H](C[NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000038827588 174156159 /nfs/dbraw/zinc/15/61/59/174156159.db2.gz SVBHLBNYXOAYLS-MRXNPFEDSA-N 1 0 261.413 2.484 10 10 CECERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1O ZINC000184055731 262006515 /nfs/dbraw/zinc/00/65/15/262006515.db2.gz ZWTRZZCDIWBVEN-LSDHHAIUSA-N 1 0 260.381 2.451 10 10 CECERO C[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)N1CCOCC1 ZINC000184934209 262033925 /nfs/dbraw/zinc/03/39/25/262033925.db2.gz ASKAQGXHCVCXDK-VXGBXAGGSA-N 1 0 298.814 2.417 10 10 CECERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c1 ZINC000184934272 262033957 /nfs/dbraw/zinc/03/39/57/262033957.db2.gz LPSWGAAPOCUUQP-KGLIPLIRSA-N 1 0 278.396 2.072 10 10 CECERO CC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccc1O ZINC000185207128 262046332 /nfs/dbraw/zinc/04/63/32/262046332.db2.gz QSFCALHRPNONLU-ZFWWWQNUSA-N 1 0 278.396 2.154 10 10 CECERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(Cl)ccc1O ZINC000185993495 262075246 /nfs/dbraw/zinc/07/52/46/262075246.db2.gz ABSROUODSGQIRK-GXSJLCMTSA-N 1 0 292.770 2.303 10 10 CECERO Cc1cccc(C[N@@H+]2CCN3CCCC[C@H]3C2)c1O ZINC000245849434 334221684 /nfs/dbraw/zinc/22/16/84/334221684.db2.gz MBVGRPONJFNYSP-HNNXBMFYSA-N 1 0 260.381 2.371 10 10 CECERO COCCOCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000044693459 524009945 /nfs/dbraw/zinc/00/99/45/524009945.db2.gz BEKBJVYCMOHWOR-UHFFFAOYSA-N 1 0 275.348 2.298 10 10 CECERO C[C@@H]([NH3+])c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000061693968 525027526 /nfs/dbraw/zinc/02/75/26/525027526.db2.gz HAZQITZBCILPDS-SNVBAGLBSA-N 1 0 298.228 2.221 10 10 CECERO CCN1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000040501985 627955645 /nfs/dbraw/zinc/95/56/45/627955645.db2.gz MPRACJIBIYAQJY-HNNXBMFYSA-N 1 0 261.413 2.327 10 10 CECERO CCOc1cccc(CN2CCCC[C@@H]2C[NH3+])c1O ZINC000044539589 639321603 /nfs/dbraw/zinc/32/16/03/639321603.db2.gz PXRZDWUPWOJOJU-CYBMUJFWSA-N 1 0 264.369 2.104 10 10 CECERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000168865471 639587627 /nfs/dbraw/zinc/58/76/27/639587627.db2.gz KJKJBELHCXAJSS-KBPBESRZSA-N 1 0 278.396 2.072 10 10 CECERO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)c1O ZINC000123219289 365636096 /nfs/dbraw/zinc/63/60/96/365636096.db2.gz INDOBGCWFYEGBS-CYBMUJFWSA-N 1 0 293.363 2.176 10 10 CECERO COc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1O ZINC000077204636 363546120 /nfs/dbraw/zinc/54/61/20/363546120.db2.gz VBCLNJXEGIFHHK-DGCLKSJQSA-N 1 0 265.353 2.042 10 10 CECERO [NH3+]C[C@H]1O[C@@H](c2ccccc2)Cc2c(O)c(O)ccc21 ZINC000004637270 361324304 /nfs/dbraw/zinc/32/43/04/361324304.db2.gz SUHGRZPINGKYNV-HUUCEWRRSA-N 1 0 271.316 2.412 10 10 in-vivo CECERO C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000083433801 135021015 /nfs/dbraw/zinc/02/10/15/135021015.db2.gz CTRITCGEWTZDMI-SECBINFHSA-N 1 0 260.259 2.383 10 10 CECERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccc(OC)cc1OC ZINC000083479464 135023729 /nfs/dbraw/zinc/02/37/29/135023729.db2.gz NRXGJZAEYCLOFS-RYUDHWBXSA-N 1 0 264.369 2.281 10 10 CECERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc2c(c1)OCCO2 ZINC000083548507 135029139 /nfs/dbraw/zinc/02/91/39/135029139.db2.gz YCCSQEAZLLJYNF-QWHCGFSZSA-N 1 0 276.380 2.425 10 10 CECERO C[C@H](C[NH2+]Cc1cccc(F)c1[O-])C[NH+]1CCCC1 ZINC000158765242 395053603 /nfs/dbraw/zinc/05/36/03/395053603.db2.gz ZFGVWZMVRDTINE-GFCCVEGCSA-N 1 0 266.360 2.353 10 10 CECERO C[C@H](CCC[NH3+])Nc1cc(O)c(=O)c2ccc[nH]c1-2 ZINC000027413389 171516751 /nfs/dbraw/zinc/51/67/51/171516751.db2.gz ZMJYZSVQMSPCFV-SECBINFHSA-N 1 0 261.325 2.185 10 10 CECERO COc1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C)c(O)c1 ZINC000038088242 174101640 /nfs/dbraw/zinc/10/16/40/174101640.db2.gz NHIKLYBFBYQTKQ-MNOVXSKESA-N 1 0 252.358 2.002 10 10 CECERO Cc1csc(C[NH2+]Cc2ccc(O)cc2O)n1 ZINC000038090722 174103724 /nfs/dbraw/zinc/10/37/24/174103724.db2.gz SKCBNPSMDCYZBN-UHFFFAOYSA-N 1 0 250.323 2.153 10 10 CECERO CC(C)N(CCCO)c1ccc([C@H](C)[NH3+])cc1F ZINC000042509168 174763650 /nfs/dbraw/zinc/76/36/50/174763650.db2.gz HELCLWLLFPANAW-NSHDSACASA-N 1 0 254.349 2.443 10 10 CECERO CCN(c1ccc(C[NH2+]C)cc1F)[C@@H](C)COC ZINC000042777511 174875056 /nfs/dbraw/zinc/87/50/56/174875056.db2.gz ZFHHPTCTMWMSKT-NSHDSACASA-N 1 0 254.349 2.406 10 10 CECERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC000183597165 329250803 /nfs/dbraw/zinc/25/08/03/329250803.db2.gz BTLGJPPYCORNSG-NWDGAFQWSA-N 1 0 286.379 2.212 10 10 CECERO CC[C@H]1COCCN1c1ccc(C[NH3+])c(Cl)c1 ZINC000061845877 523338313 /nfs/dbraw/zinc/33/83/13/523338313.db2.gz SWKXWSQMTPIZEK-NSHDSACASA-N 1 0 254.761 2.414 10 10 CECERO c1cn2c(n1)CC[C@H](C[NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000275646226 526539611 /nfs/dbraw/zinc/53/96/11/526539611.db2.gz TZSXMEIBHVEGKC-CQSZACIVSA-N 1 0 283.375 2.170 10 10 CECERO COc1ccc(N2CC[NH2+]C[C@H]2C(C)C)cc1F ZINC000083393388 536705570 /nfs/dbraw/zinc/70/55/70/536705570.db2.gz REBOWTAPVUPEDJ-ZDUSSCGKSA-N 1 0 252.333 2.269 10 10 CECERO C[C@H]1C[NH+](Cc2cc3c(cc2O)CCC3)C[C@H](C)O1 ZINC000193205825 640467594 /nfs/dbraw/zinc/46/75/94/640467594.db2.gz WJWHFWPLEIMFJK-RYUDHWBXSA-N 1 0 261.365 2.490 10 10 CECERO C[N@H+](Cc1ccc(N)cc1)C1CCC2(CC1)OCCO2 ZINC000140803077 344399115 /nfs/dbraw/zinc/39/91/15/344399115.db2.gz RLLWNRZXAAJFGN-UHFFFAOYSA-N 1 0 276.380 2.386 10 10 CECERO C[C@@H]([NH3+])c1ccc(N2CCN(c3nccs3)CC2)cc1 ZINC000019872253 136579621 /nfs/dbraw/zinc/57/96/21/136579621.db2.gz FGMULMLXNMGHBU-GFCCVEGCSA-N 1 0 288.420 2.489 10 10 CECERO C[C@H]([NH3+])c1ccc(N2CCCO[C@@H](C)C2)c(F)c1 ZINC000103958025 185868502 /nfs/dbraw/zinc/86/85/02/185868502.db2.gz JDPYFZJSISOKAR-QWRGUYRKSA-N 1 0 252.333 2.461 10 10 CECERO CCN(CC[NH2+]Cc1cccc(F)c1[O-])C1CC1 ZINC000226589268 370347378 /nfs/dbraw/zinc/34/73/78/370347378.db2.gz WGXZUVYDLPTKLU-UHFFFAOYSA-N 1 0 252.333 2.105 10 10 CECERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(OC)cc1OC ZINC000083479461 135023900 /nfs/dbraw/zinc/02/39/00/135023900.db2.gz NRXGJZAEYCLOFS-VXGBXAGGSA-N 1 0 264.369 2.281 10 10 CECERO Nc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019726899 170845484 /nfs/dbraw/zinc/84/54/84/170845484.db2.gz NFKYRFGQWGYXEI-UHFFFAOYSA-N 1 0 259.397 2.329 10 10 CECERO C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)N1CCOCC1 ZINC000184934116 262033912 /nfs/dbraw/zinc/03/39/12/262033912.db2.gz ASKAQGXHCVCXDK-RYUDHWBXSA-N 1 0 298.814 2.417 10 10 CECERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c(O)c1 ZINC000185115386 262041964 /nfs/dbraw/zinc/04/19/64/262041964.db2.gz XKTIDHWIFPVGBX-CABCVRRESA-N 1 0 292.423 2.198 10 10 CECERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282196789 301654695 /nfs/dbraw/zinc/65/46/95/301654695.db2.gz GPWAAHUYEQOKRO-GMXVVIOVSA-N 1 0 262.353 2.018 10 10 CECERO Cc1cccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1O ZINC000245866446 334222068 /nfs/dbraw/zinc/22/20/68/334222068.db2.gz QGTJLRLAUNXNIG-HIFRSBDPSA-N 1 0 260.381 2.369 10 10 CECERO C[C@@H]1CN(c2ccc(C[NH3+])c(Cl)c2)[C@H](C)CO1 ZINC000061845696 525063766 /nfs/dbraw/zinc/06/37/66/525063766.db2.gz OBVMPKIRLCBIHJ-NXEZZACHSA-N 1 0 254.761 2.412 10 10 CECERO COc1cc(N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000213710216 652299635 /nfs/dbraw/zinc/29/96/35/652299635.db2.gz AODKBZCKTKGREJ-UHFFFAOYSA-N 1 0 297.355 2.033 10 10 CECERO C[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)N1CCOCC1 ZINC000123304041 365637161 /nfs/dbraw/zinc/63/71/61/365637161.db2.gz JTJFNZQGSUUQHU-HUUCEWRRSA-N 1 0 291.439 2.124 10 10 CECERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)c(O)c1O ZINC000083385045 178393088 /nfs/dbraw/zinc/39/30/88/178393088.db2.gz PXWMWMLWIKNTQD-ONGXEEELSA-N 1 0 251.326 2.472 10 10 CECERO CN1CCc2cc(C[NH2+]C[C@H]3CCc4nccn4C3)ccc21 ZINC000328634351 344757476 /nfs/dbraw/zinc/75/74/76/344757476.db2.gz MQNXJKOMZXTKMR-OAHLLOKOSA-N 1 0 296.418 2.228 10 10 CECERO O=C(C[NH2+]CCc1ccccc1)c1ccc(O)c(O)c1 ZINC000080310255 363657080 /nfs/dbraw/zinc/65/70/80/363657080.db2.gz QASFXHGAGRXGIY-UHFFFAOYSA-N 1 0 271.316 2.113 10 10 CECERO COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179643529 368346228 /nfs/dbraw/zinc/34/62/28/368346228.db2.gz JVDBKNCGTZNLFL-CYBMUJFWSA-N 1 0 263.337 2.086 10 10 CECERO CN(c1cccnn1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179577713 395196597 /nfs/dbraw/zinc/19/65/97/395196597.db2.gz FFDMEKCOXZOZHC-UHFFFAOYSA-N 1 0 298.390 2.283 10 10 CECERO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cc(O)ccc1O ZINC000020125824 171008837 /nfs/dbraw/zinc/00/88/37/171008837.db2.gz MBLUONBVSSKGPP-SNVBAGLBSA-N 1 0 252.358 2.089 10 10 CECERO CC[C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1O ZINC000037826566 173783068 /nfs/dbraw/zinc/78/30/68/173783068.db2.gz VNGPOAZUHILWRQ-RYUDHWBXSA-N 1 0 264.369 2.300 10 10 CECERO Nc1cccc2c1CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC000038032626 174028738 /nfs/dbraw/zinc/02/87/38/174028738.db2.gz IBSRNHDKDBZFNT-UHFFFAOYSA-N 1 0 270.332 2.238 10 10 CECERO COc1ccc(N2CCC[NH2+]CC2)cc1Br ZINC000076493915 177028651 /nfs/dbraw/zinc/02/86/51/177028651.db2.gz KUVUVYAAKNMNEQ-UHFFFAOYSA-N 1 0 285.185 2.257 10 10 CECERO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1O ZINC000156503444 261124550 /nfs/dbraw/zinc/12/45/50/261124550.db2.gz RNFGHVHLNJOKRA-DGCLKSJQSA-N 1 0 272.352 2.039 10 10 CECERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c(O)c1 ZINC000185115434 262042137 /nfs/dbraw/zinc/04/21/37/262042137.db2.gz XKTIDHWIFPVGBX-LSDHHAIUSA-N 1 0 292.423 2.198 10 10 CECERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(OC)c(OC)c1 ZINC000083479466 536169531 /nfs/dbraw/zinc/16/95/31/536169531.db2.gz KCBVWSYQCDLWHU-NEPJUHHUSA-N 1 0 264.369 2.281 10 10 CECERO COc1ccc(N2CC[NH2+]C[C@@H]2C(C)C)cc1OC ZINC000083479494 536705388 /nfs/dbraw/zinc/70/53/88/536705388.db2.gz DKXOADAUHBRJTR-CYBMUJFWSA-N 1 0 264.369 2.138 10 10 CECERO CC[C@H]([NH2+]C[C@H]1CN(CC)CCO1)c1ccccc1O ZINC000164047116 639343429 /nfs/dbraw/zinc/34/34/29/639343429.db2.gz RNFJORJYOINICP-ZFWWWQNUSA-N 1 0 278.396 2.154 10 10 CECERO CN(C)c1cccc(NC(=O)c2cccc(C[NH3+])c2)c1 ZINC000082698863 178200147 /nfs/dbraw/zinc/20/01/47/178200147.db2.gz HKLRAIDKZKDAKZ-UHFFFAOYSA-N 1 0 269.348 2.464 10 10 CECERO CCN(CC)c1ccc(C[NH2+][C@@H](C(N)=O)C(C)C)cc1 ZINC000223958680 540161542 /nfs/dbraw/zinc/16/15/42/540161542.db2.gz VZCDDEWCQTWRMA-OAHLLOKOSA-N 1 0 277.412 2.132 10 10 CECERO CCOc1ccc(O)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000245573087 370842650 /nfs/dbraw/zinc/84/26/50/370842650.db2.gz YSFJKINNGMHHLD-HNNXBMFYSA-N 1 0 290.407 2.461 10 10 CECERO C[C@@H]([NH3+])c1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000019872059 134711538 /nfs/dbraw/zinc/71/15/38/134711538.db2.gz KUTUYUQRVFMSMD-GARJFASQSA-N 1 0 252.333 2.459 10 10 CECERO Oc1ccc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1O ZINC000020137737 171025184 /nfs/dbraw/zinc/02/51/84/171025184.db2.gz SFSCCISWDISKDV-GFCCVEGCSA-N 1 0 287.315 2.027 10 10 CECERO CCC[NH2+][C@H]1CCN(c2ccc(OC)c(OC)c2)C1 ZINC000037240747 173057224 /nfs/dbraw/zinc/05/72/24/173057224.db2.gz SUYXKJHUXQYDJG-LBPRGKRZSA-N 1 0 264.369 2.282 10 10 CECERO C[C@H](c1ccccc1O)N(C)C(=O)CCCCC[NH3+] ZINC000037826504 173783113 /nfs/dbraw/zinc/78/31/13/173783113.db2.gz AXDKUHZOHSBVRX-GFCCVEGCSA-N 1 0 264.369 2.431 10 10 CECERO Oc1ccccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000179571434 261798231 /nfs/dbraw/zinc/79/82/31/261798231.db2.gz ZPAUMWQAABWCKK-UHFFFAOYSA-N 1 0 284.363 2.259 10 10 CECERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c(O)c1 ZINC000185115420 262041834 /nfs/dbraw/zinc/04/18/34/262041834.db2.gz XKTIDHWIFPVGBX-HUUCEWRRSA-N 1 0 292.423 2.198 10 10 CECERO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000090738776 327181087 /nfs/dbraw/zinc/18/10/87/327181087.db2.gz DWSZPYLZQHMDEK-CABZTGNLSA-N 1 0 255.745 2.296 10 10 CECERO CC(C)N(Cc1cnn(C)c1)c1ccc(C[NH3+])cc1 ZINC000050539215 519662972 /nfs/dbraw/zinc/66/29/72/519662972.db2.gz QGVLWKZYHCNWGK-UHFFFAOYSA-N 1 0 258.369 2.294 10 10 CECERO CC(C)C[NH2+]Cc1cc(F)c(N(C)CCO)c(F)c1 ZINC000062736404 519746861 /nfs/dbraw/zinc/74/68/61/519746861.db2.gz JDSGQPIIASZGEX-UHFFFAOYSA-N 1 0 272.339 2.139 10 10 CECERO C[NH2+]Cc1ccc(N(C)Cc2cnn(C)c2)c(C)c1 ZINC000050561484 522120093 /nfs/dbraw/zinc/12/00/93/522120093.db2.gz WEKTWIDKSLSLRM-UHFFFAOYSA-N 1 0 258.369 2.084 10 10 CECERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000168866059 639587327 /nfs/dbraw/zinc/58/73/27/639587327.db2.gz MIFVOGPGKNJFIS-KBPBESRZSA-N 1 0 278.396 2.072 10 10 CECERO CC[C@@H]1C[N@H+](Cc2cccc(C)c2O)CCN1CCOC ZINC000180087064 641412531 /nfs/dbraw/zinc/41/25/31/641412531.db2.gz DWXHFJJNKMIQNY-MRXNPFEDSA-N 1 0 292.423 2.243 10 10 CECERO CN(C)c1ccc(CN(C)C(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000133209528 652613570 /nfs/dbraw/zinc/61/35/70/652613570.db2.gz WEVPTFPBOFATNG-QGZVFWFLSA-N 1 0 289.423 2.243 10 10 CECERO CCOc1cccc(C[NH2+][C@H]2CCO[C@@H]2C)c1O ZINC000134247155 366302237 /nfs/dbraw/zinc/30/22/37/366302237.db2.gz SGVGHCPTUNJHRA-PWSUYJOCSA-N 1 0 251.326 2.058 10 10 CECERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(N(C)C)cc1 ZINC000180594784 368387817 /nfs/dbraw/zinc/38/78/17/368387817.db2.gz HHDHAUSKHUQYPW-TZMCWYRMSA-N 1 0 285.395 2.010 10 10 CECERO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cccc(C)c1O ZINC000189985248 369585022 /nfs/dbraw/zinc/58/50/22/369585022.db2.gz MYSLSIOSTRRLSI-HNNXBMFYSA-N 1 0 263.337 2.228 10 10 CECERO CC(C)[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@H](C)C[NH2+]1 ZINC000083548465 135029000 /nfs/dbraw/zinc/02/90/00/135029000.db2.gz LQMMMEWLPVPKQT-OCCSQVGLSA-N 1 0 276.380 2.281 10 10 CECERO Oc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)c(O)c1 ZINC000020124354 171006079 /nfs/dbraw/zinc/00/60/79/171006079.db2.gz SCUJAMSGZBNVGG-UHFFFAOYSA-N 1 0 273.288 2.116 10 10 CECERO CC(C)[NH+]1CCC(NCc2ccc(O)c(O)c2)CC1 ZINC000020189012 171054985 /nfs/dbraw/zinc/05/49/85/171054985.db2.gz SCHITULUYJQVNO-UHFFFAOYSA-N 1 0 264.369 2.060 10 10 CECERO C[C@H](C(=O)Nc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC000022155485 171362120 /nfs/dbraw/zinc/36/21/20/171362120.db2.gz LHBRXIUSJZVDAV-GFCCVEGCSA-N 1 0 261.369 2.328 10 10 CECERO CC[C@@H](C)[N@H+](CC)CC(=O)N(C)c1ccc(N)cc1 ZINC000037273449 173085961 /nfs/dbraw/zinc/08/59/61/173085961.db2.gz ADPJCKGRRQDRSI-GFCCVEGCSA-N 1 0 263.385 2.352 10 10 CECERO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cc(O)ccc1O ZINC000038043935 174051486 /nfs/dbraw/zinc/05/14/86/174051486.db2.gz RAOPGNCPOCJAMT-GHMZBOCLSA-N 1 0 251.326 2.175 10 10 CECERO CCOc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1O ZINC000038095460 174109249 /nfs/dbraw/zinc/10/92/49/174109249.db2.gz GNBPLEFWJAJUGL-ZDUSSCGKSA-N 1 0 265.353 2.450 10 10 CECERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000246283522 329815018 /nfs/dbraw/zinc/81/50/18/329815018.db2.gz BRTHUKSORQKLJK-ZFWWWQNUSA-N 1 0 299.422 2.400 10 10 CECERO CC(=O)c1cc(F)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000246422387 334257246 /nfs/dbraw/zinc/25/72/46/334257246.db2.gz CASZLNMEKOHVOE-AWEZNQCLSA-N 1 0 292.354 2.014 10 10 CECERO CC[NH2+]Cc1ccc(N2CCO[C@H](C)C2)c(F)c1 ZINC000034823432 535478495 /nfs/dbraw/zinc/47/84/95/535478495.db2.gz VUNPDYLFJXCGTG-LLVKDONJSA-N 1 0 252.333 2.160 10 10 CECERO CC[C@@H]1CCN(c2ccc(OC)c(F)c2)CC[NH2+]1 ZINC000049661980 523334767 /nfs/dbraw/zinc/33/47/67/523334767.db2.gz IVWOTIUXBMCNBG-LLVKDONJSA-N 1 0 252.333 2.413 10 10 CECERO c1cc2c(cc1N1CC[C@@H](C[NH2+]C3CC3)C1)OCCO2 ZINC000053012142 526439228 /nfs/dbraw/zinc/43/92/28/526439228.db2.gz GOBFBJKDIDUNTA-LBPRGKRZSA-N 1 0 274.364 2.036 10 10 CECERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1c1ccc2c(c1)OCCO2 ZINC000083548534 535264683 /nfs/dbraw/zinc/26/46/83/535264683.db2.gz HMRLIAAYZQKVSV-OCCSQVGLSA-N 1 0 276.380 2.281 10 10 CECERO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164351643 639364841 /nfs/dbraw/zinc/36/48/41/639364841.db2.gz SGELLJAQDPDOMC-GFCCVEGCSA-N 1 0 293.363 2.094 10 10 CECERO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000089151220 640108297 /nfs/dbraw/zinc/10/82/97/640108297.db2.gz WFOCHFXQIDJKAJ-BXKDBHETSA-N 1 0 255.745 2.296 10 10 CECERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)c1 ZINC000123256759 365635662 /nfs/dbraw/zinc/63/56/62/365635662.db2.gz QEZBCFHQFPBQCB-GFCCVEGCSA-N 1 0 293.363 2.176 10 10 CECERO COc1ccc(N2CC[NH2+][C@@H](C(C)C)C2)c(OC)c1 ZINC000083479372 536705940 /nfs/dbraw/zinc/70/59/40/536705940.db2.gz AOMMSMFVSRVJRP-CYBMUJFWSA-N 1 0 264.369 2.138 10 10 CECERO [NH3+]CC[C@H]([NH3+])c1cc(Cl)cc(Br)c1[O-] ZINC000306897356 344718369 /nfs/dbraw/zinc/71/83/69/344718369.db2.gz SUNKOUNXLWNEQT-QMMMGPOBSA-N 1 0 279.565 2.157 10 10 CECERO C[NH+](C)[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000134174620 366295022 /nfs/dbraw/zinc/29/50/22/366295022.db2.gz CIRMHSNVXYJWNF-LBPRGKRZSA-N 1 0 299.212 2.291 10 10 CECERO C[C@@H](CCC[NH3+])Nc1cc(O)c(=O)c2ccc[nH]c1-2 ZINC000027413384 361653086 /nfs/dbraw/zinc/65/30/86/361653086.db2.gz ZMJYZSVQMSPCFV-VIFPVBQESA-N 1 0 261.325 2.185 10 10 CECERO COC(=O)[C@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000179661144 368347104 /nfs/dbraw/zinc/34/71/04/368347104.db2.gz BSPYDBYYVPSOMT-LLVKDONJSA-N 1 0 269.728 2.183 10 10 CECERO CC[C@@H]1C[NH2+]CCN1c1ccc(OC(F)F)cc1 ZINC000083415193 135020013 /nfs/dbraw/zinc/02/00/13/135020013.db2.gz DKDGXKDGCHMFDZ-SNVBAGLBSA-N 1 0 256.296 2.476 10 10 CECERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc2c(c1)OCCO2 ZINC000083456582 135022956 /nfs/dbraw/zinc/02/29/56/135022956.db2.gz AZOSFJUHRRLEAB-NWDGAFQWSA-N 1 0 262.353 2.035 10 10 CECERO CC(C)[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@@H](C)C[NH2+]1 ZINC000083548467 135029018 /nfs/dbraw/zinc/02/90/18/135029018.db2.gz LQMMMEWLPVPKQT-JSGCOSHPSA-N 1 0 276.380 2.281 10 10 CECERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccccc1O ZINC000183615641 395260576 /nfs/dbraw/zinc/26/05/76/395260576.db2.gz NZOFSCPGLUXIIV-MFKMUULPSA-N 1 0 272.352 2.478 10 10 CECERO CCCCOC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000195187973 395461320 /nfs/dbraw/zinc/46/13/20/395461320.db2.gz TXIJHKBVNCORHN-CQSZACIVSA-N 1 0 267.369 2.002 10 10 CECERO Oc1cc2c3c(c1O)Cc1ccccc1[C@@H]3C[NH2+]CC2 ZINC000012355989 170478484 /nfs/dbraw/zinc/47/84/84/170478484.db2.gz CDWCQDUQCKMBNF-AWEZNQCLSA-N 1 0 267.328 2.280 10 10 CECERO C[C@@H]([NH2+]CCc1ccccn1)c1ccc(O)cc1O ZINC000019916631 170925886 /nfs/dbraw/zinc/92/58/86/170925886.db2.gz INPQZTPAEGFHII-LLVKDONJSA-N 1 0 258.321 2.386 10 10 CECERO C[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)N(C)C ZINC000038087615 174099850 /nfs/dbraw/zinc/09/98/50/174099850.db2.gz VTJMHADISUXRGZ-AWEZNQCLSA-N 1 0 261.413 2.327 10 10 CECERO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)c(O)c1 ZINC000184935683 262033931 /nfs/dbraw/zinc/03/39/31/262033931.db2.gz GBBBFYQWBDABFX-KBPBESRZSA-N 1 0 278.396 2.072 10 10 CECERO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)c1 ZINC000184934297 262034095 /nfs/dbraw/zinc/03/40/95/262034095.db2.gz LPSWGAAPOCUUQP-UONOGXRCSA-N 1 0 278.396 2.072 10 10 CECERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)c1 ZINC000184934321 262034195 /nfs/dbraw/zinc/03/41/95/262034195.db2.gz LPSWGAAPOCUUQP-KBPBESRZSA-N 1 0 278.396 2.072 10 10 CECERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)c(O)c1 ZINC000185663119 262065216 /nfs/dbraw/zinc/06/52/16/262065216.db2.gz OUQBVLCMUJVEIL-YPMHNXCESA-N 1 0 272.352 2.478 10 10 CECERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)c1 ZINC000185662589 262065349 /nfs/dbraw/zinc/06/53/49/262065349.db2.gz IDCNRZUZCAEEKG-WCQYABFASA-N 1 0 272.352 2.478 10 10 CECERO CC[C@](C)(O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000123432541 268053840 /nfs/dbraw/zinc/05/38/40/268053840.db2.gz XNUARHYLULHBDB-KRWDZBQOSA-N 1 0 292.423 2.368 10 10 CECERO CN1CCCc2cc([C@H](C[NH3+])N3CCCC3)ccc21 ZINC000034936235 277087864 /nfs/dbraw/zinc/08/78/64/277087864.db2.gz KLUAUWBSSNPNSI-INIZCTEOSA-N 1 0 259.397 2.165 10 10 CECERO COc1cc(Cl)cc(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)c1O ZINC000229119703 333300662 /nfs/dbraw/zinc/30/06/62/333300662.db2.gz RCIJVOHANSQNEX-ZWNOBZJWSA-N 1 0 298.814 2.436 10 10 CECERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1O ZINC000246027199 334228181 /nfs/dbraw/zinc/22/81/81/334228181.db2.gz VSHLZTVFUMXMFV-RISCZKNCSA-N 1 0 264.344 2.200 10 10 CECERO C[C@@H]1CN(c2c(F)cc(C[NH3+])cc2F)CCCO1 ZINC000062719250 525060440 /nfs/dbraw/zinc/06/04/40/525060440.db2.gz HTXUJTLDQXQNJP-SECBINFHSA-N 1 0 256.296 2.039 10 10 CECERO Oc1cc2c(cc1C[NH2+]CC1CC(F)(F)C1)OCO2 ZINC000291654826 526336674 /nfs/dbraw/zinc/33/66/74/526336674.db2.gz DGVXXBLRTAQIPX-UHFFFAOYSA-N 1 0 271.263 2.256 10 10 CECERO [NH3+]Cc1cc(F)c(N2CCCSCC2)c(F)c1 ZINC000062711914 527249230 /nfs/dbraw/zinc/24/92/30/527249230.db2.gz QJNCRJXOVPPGLH-UHFFFAOYSA-N 1 0 258.337 2.367 10 10 CECERO COc1ccc(N2CC[NH2+][C@H](C(C)C)C2)cc1F ZINC000083393298 536705041 /nfs/dbraw/zinc/70/50/41/536705041.db2.gz VTPGHGWPKMBIIP-ZDUSSCGKSA-N 1 0 252.333 2.269 10 10 CECERO CCN1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226586126 639555078 /nfs/dbraw/zinc/55/50/78/639555078.db2.gz DFHMLJLFOGBKLJ-CYBMUJFWSA-N 1 0 252.333 2.105 10 10 CECERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000168865375 639587061 /nfs/dbraw/zinc/58/70/61/639587061.db2.gz KJKJBELHCXAJSS-UONOGXRCSA-N 1 0 278.396 2.072 10 10 CECERO COc1ccc(N2CC[NH2+][C@H](C(C)C)C2)cc1OC ZINC000083479373 536705466 /nfs/dbraw/zinc/70/54/66/536705466.db2.gz AVSPOYWQCIJJAN-ZDUSSCGKSA-N 1 0 264.369 2.138 10 10 CECERO Oc1ccc([C@@H]2C[NH2+]CCc3c(F)c(O)c(O)cc32)cc1 ZINC000026390147 361638879 /nfs/dbraw/zinc/63/88/79/361638879.db2.gz VCANAEDMYJEQEH-ZDUSSCGKSA-N 1 0 289.306 2.220 10 10 CECERO [O-]c1c(F)cccc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000226343892 370337162 /nfs/dbraw/zinc/33/71/62/370337162.db2.gz RVVYAHCBZGUZJU-KBPBESRZSA-N 1 0 264.344 2.248 10 10 CECERO CCC[NH2+]Cc1ccc(N(CCO)C(C)C)cc1 ZINC000042480221 184553735 /nfs/dbraw/zinc/55/37/35/184553735.db2.gz YBSYHKVBBCEYFH-UHFFFAOYSA-N 1 0 250.386 2.393 10 10 CECERO CC(C)[C@H]1CN(c2ccc3c(c2)OCCO3)[C@@H](C)C[NH2+]1 ZINC000083548472 135029079 /nfs/dbraw/zinc/02/90/79/135029079.db2.gz LQMMMEWLPVPKQT-GXTWGEPZSA-N 1 0 276.380 2.281 10 10 CECERO CCOc1ccc(O)c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000093437633 394665737 /nfs/dbraw/zinc/66/57/37/394665737.db2.gz VVADUHOSRKGTLZ-ZFWWWQNUSA-N 1 0 290.407 2.459 10 10 CECERO CCOc1ccc(O)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179549921 395195534 /nfs/dbraw/zinc/19/55/34/395195534.db2.gz JYQQCRTXAICDRQ-CQSZACIVSA-N 1 0 276.380 2.071 10 10 CECERO CC(C)[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)N(C)C ZINC000020145399 171030488 /nfs/dbraw/zinc/03/04/88/171030488.db2.gz KVAICGIDNRDCSQ-MRXNPFEDSA-N 1 0 263.429 2.428 10 10 CECERO COc1ccc(O)c(C[NH2+]CCCOC(C)C)c1 ZINC000020198473 171062307 /nfs/dbraw/zinc/06/23/07/171062307.db2.gz YYHJYQSFXQWICJ-UHFFFAOYSA-N 1 0 253.342 2.306 10 10 CECERO CCNC(=O)[C@H](C)[N@H+](Cc1ccc(N)cc1)C(C)C ZINC000035365435 172155588 /nfs/dbraw/zinc/15/55/88/172155588.db2.gz YCNYSDMAOILIDU-LBPRGKRZSA-N 1 0 263.385 2.004 10 10 CECERO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(OC)cc1O ZINC000038013890 173984359 /nfs/dbraw/zinc/98/43/59/173984359.db2.gz SWMDUWDKXGAHIE-RYUDHWBXSA-N 1 0 294.395 2.356 10 10 CECERO CCOc1ccc(O)c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000093437634 260517736 /nfs/dbraw/zinc/51/77/36/260517736.db2.gz VVADUHOSRKGTLZ-DZGCQCFKSA-N 1 0 290.407 2.459 10 10 CECERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)c1 ZINC000185662798 262065202 /nfs/dbraw/zinc/06/52/02/262065202.db2.gz FGQJGLCICCGEEY-MFKMUULPSA-N 1 0 288.351 2.178 10 10 CECERO CC[C@@](C)(O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000123432765 268053494 /nfs/dbraw/zinc/05/34/94/268053494.db2.gz XNUARHYLULHBDB-QGZVFWFLSA-N 1 0 292.423 2.368 10 10 CECERO Cc1cc(C[NH2+]CC(C)C)ccc1N1CC[C@@H](O)C1 ZINC000062738269 524753937 /nfs/dbraw/zinc/75/39/37/524753937.db2.gz LYRLTBSWJTUXLD-OAHLLOKOSA-N 1 0 262.397 2.312 10 10 CECERO C[C@@H](c1ccc(F)cc1O)N1CCCC[C@@H]1C[NH3+] ZINC000062749278 526060164 /nfs/dbraw/zinc/06/01/64/526060164.db2.gz DYTJZFGOHNPQQV-CMPLNLGQSA-N 1 0 252.333 2.406 10 10 CECERO CCOCCN1CC[N@H+](Cc2cc(C)ccc2O)C[C@@H]1C ZINC000120897275 647606642 /nfs/dbraw/zinc/60/66/42/647606642.db2.gz RSIVQNUDSLBXNR-HNNXBMFYSA-N 1 0 292.423 2.243 10 10 CECERO [NH3+]CC[C@H]([NH3+])c1c([O-])c(Br)ccc1Cl ZINC000306560492 344714478 /nfs/dbraw/zinc/71/44/78/344714478.db2.gz BDTFCMXMKIIMHC-ZETCQYMHSA-N 1 0 279.565 2.157 10 10 CECERO COc1ccc(C[NH2+]CCOC2CCCC2)c(O)c1 ZINC000104154804 185912909 /nfs/dbraw/zinc/91/29/09/185912909.db2.gz OBFZLLYGGTUFLA-UHFFFAOYSA-N 1 0 265.353 2.450 10 10 CECERO CC[C@@H]1CN(Cc2cc(F)ccc2O)CC[N@@H+]1CCOC ZINC000180100582 368368173 /nfs/dbraw/zinc/36/81/73/368368173.db2.gz JFUWIDMCKMPXFB-OAHLLOKOSA-N 1 0 296.386 2.074 10 10 CECERO CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000180493280 368384794 /nfs/dbraw/zinc/38/47/94/368384794.db2.gz RJQXSRVKIDXEJD-DLBZAZTESA-N 1 0 291.439 2.124 10 10 CECERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(N(C)C)cc1 ZINC000180594822 368387716 /nfs/dbraw/zinc/38/77/16/368387716.db2.gz HHDHAUSKHUQYPW-OCCSQVGLSA-N 1 0 285.395 2.010 10 10 CECERO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc(C)c1O ZINC000189985272 369585222 /nfs/dbraw/zinc/58/52/22/369585222.db2.gz MYSLSIOSTRRLSI-OAHLLOKOSA-N 1 0 263.337 2.228 10 10 CECERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000019947293 170937277 /nfs/dbraw/zinc/93/72/77/170937277.db2.gz YOKINZKFEDXUBP-IAQYHMDHSA-N 1 0 276.380 2.146 10 10 CECERO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000022156456 171362743 /nfs/dbraw/zinc/36/27/43/171362743.db2.gz MLJMZXMNDQEGGW-GFCCVEGCSA-N 1 0 261.369 2.472 10 10 CECERO C[NH2+]CC[C@@H]1CCN(c2ccc(OC)c(OC)c2)C1 ZINC000076368809 177005941 /nfs/dbraw/zinc/00/59/41/177005941.db2.gz HQITYZJXRIIYDS-GFCCVEGCSA-N 1 0 264.369 2.140 10 10 CECERO CC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccccc1O ZINC000185207113 262046204 /nfs/dbraw/zinc/04/62/04/262046204.db2.gz QSFCALHRPNONLU-UKRRQHHQSA-N 1 0 278.396 2.154 10 10 CECERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)c1 ZINC000185662739 262064625 /nfs/dbraw/zinc/06/46/25/262064625.db2.gz FGQJGLCICCGEEY-GXFFZTMASA-N 1 0 288.351 2.178 10 10 CECERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)c(O)c1 ZINC000185663140 262065056 /nfs/dbraw/zinc/06/50/56/262065056.db2.gz OUQBVLCMUJVEIL-AAEUAGOBSA-N 1 0 272.352 2.478 10 10 CECERO CN(c1c(F)cc(C[NH3+])cc1F)[C@@H]1CCSC1 ZINC000062710440 523632919 /nfs/dbraw/zinc/63/29/19/523632919.db2.gz HBKZNRWZZAYYIK-SECBINFHSA-N 1 0 258.337 2.365 10 10 CECERO CCN(CC)c1ccc(C[NH2+][C@H](C(N)=O)C(C)C)cc1 ZINC000223958739 540161497 /nfs/dbraw/zinc/16/14/97/540161497.db2.gz VZCDDEWCQTWRMA-HNNXBMFYSA-N 1 0 277.412 2.132 10 10 CECERO CCOc1ccc(O)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000092616202 364088008 /nfs/dbraw/zinc/08/80/08/364088008.db2.gz YSFJKINNGMHHLD-OAHLLOKOSA-N 1 0 290.407 2.461 10 10 CECERO COCCN1CC[N@H+](Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000117323575 365102471 /nfs/dbraw/zinc/10/24/71/365102471.db2.gz QNLDUWRHMMSMNW-OAHLLOKOSA-N 1 0 292.423 2.162 10 10 CECERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180017589 368362938 /nfs/dbraw/zinc/36/29/38/368362938.db2.gz JVDDQRULUVTQLB-AWEZNQCLSA-N 1 0 294.370 2.412 10 10 CECERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(OC)c(F)c1 ZINC000083393341 135017966 /nfs/dbraw/zinc/01/79/66/135017966.db2.gz HEIDUQCYDPNCEW-GHMZBOCLSA-N 1 0 252.333 2.411 10 10 CECERO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccccc1O ZINC000183547383 395258981 /nfs/dbraw/zinc/25/89/81/395258981.db2.gz UBWJFCORVGWLIG-CMPLNLGQSA-N 1 0 258.325 2.169 10 10 CECERO C[C@@H](C(=O)Nc1ccc(N)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000022153721 171360528 /nfs/dbraw/zinc/36/05/28/171360528.db2.gz RTHLAOKDNXFCTN-RYUDHWBXSA-N 1 0 261.369 2.470 10 10 CECERO COc1ccc(C[NH2+]Cc2ncccc2C)c(O)c1 ZINC000071339976 176129934 /nfs/dbraw/zinc/12/99/34/176129934.db2.gz YKTXNTMBPMUMAN-UHFFFAOYSA-N 1 0 258.321 2.394 10 10 CECERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1O ZINC000184055711 262006211 /nfs/dbraw/zinc/00/62/11/262006211.db2.gz ZWTRZZCDIWBVEN-HUUCEWRRSA-N 1 0 260.381 2.451 10 10 CECERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(Cl)ccc1O ZINC000185993535 262074943 /nfs/dbraw/zinc/07/49/43/262074943.db2.gz ABSROUODSGQIRK-ONGXEEELSA-N 1 0 292.770 2.303 10 10 CECERO CC1(C)CN(c2ccc(C[NH3+])cc2Cl)CCO1 ZINC000062792939 520494124 /nfs/dbraw/zinc/49/41/24/520494124.db2.gz FTKHBKRDAMBGPB-UHFFFAOYSA-N 1 0 254.761 2.414 10 10 CECERO CCN(c1c(F)cc(C[NH3+])cc1F)[C@@H](C)COC ZINC000062713705 521479387 /nfs/dbraw/zinc/47/93/87/521479387.db2.gz DYIGXZFGJLXUEO-VIFPVBQESA-N 1 0 258.312 2.285 10 10 CECERO C[NH2+][C@H](C)c1ccc(N2CCC(CO)CC2)c(F)c1 ZINC000034840962 536406711 /nfs/dbraw/zinc/40/67/11/536406711.db2.gz WQOLYWIQBCJPHC-LLVKDONJSA-N 1 0 266.360 2.315 10 10 CECERO CC[C@](C)(O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000160430509 623288274 /nfs/dbraw/zinc/28/82/74/623288274.db2.gz QDBYNJMGTVUOOC-KRWDZBQOSA-N 1 0 292.423 2.116 10 10 CECERO CC[C@H]1C[N@H+](Cc2cccc(C)c2O)CCN1CCOC ZINC000180087084 628071354 /nfs/dbraw/zinc/07/13/54/628071354.db2.gz DWXHFJJNKMIQNY-INIZCTEOSA-N 1 0 292.423 2.243 10 10 CECERO CN(C)c1ccc(CN(C)C(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054307726 631153968 /nfs/dbraw/zinc/15/39/68/631153968.db2.gz HQIKZRVEGYLSBD-OAHLLOKOSA-N 1 0 289.423 2.101 10 10 CECERO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000070575988 641684835 /nfs/dbraw/zinc/68/48/35/641684835.db2.gz QXJMDWHQBLJTAJ-LSDHHAIUSA-N 1 0 289.423 2.229 10 10 CECERO [NH3+]CC[C@H]([NH3+])c1ccc(Cl)c(Br)c1[O-] ZINC000306562435 344714575 /nfs/dbraw/zinc/71/45/75/344714575.db2.gz CLGIXXRTAPUZNQ-ZETCQYMHSA-N 1 0 279.565 2.157 10 10 CECERO C[NH+](C)[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000134174404 366294005 /nfs/dbraw/zinc/29/40/05/366294005.db2.gz CIRMHSNVXYJWNF-GFCCVEGCSA-N 1 0 299.212 2.291 10 10 CECERO COc1cccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1O ZINC000131919779 394921974 /nfs/dbraw/zinc/92/19/74/394921974.db2.gz GMWISNLIGAVARS-AWEZNQCLSA-N 1 0 287.363 2.471 10 10 CECERO Oc1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)cc1O ZINC000020137741 171025657 /nfs/dbraw/zinc/02/56/57/171025657.db2.gz SFSCCISWDISKDV-LBPRGKRZSA-N 1 0 287.315 2.027 10 10 CECERO CC(C)[C@H](C[NH2+][C@H](C)c1cc(O)ccc1O)N(C)C ZINC000020145712 171030999 /nfs/dbraw/zinc/03/09/99/171030999.db2.gz GIXBDXRAMWEFBY-RISCZKNCSA-N 1 0 266.385 2.335 10 10 CECERO Cc1cc(C[NH2+][C@@H](C)C(N)=O)c(C)n1-c1ccccc1 ZINC000035148875 172010618 /nfs/dbraw/zinc/01/06/18/172010618.db2.gz IWEWURDFOXREJS-LBPRGKRZSA-N 1 0 271.364 2.058 10 10 CECERO CCN(CCO)c1ccc(C[NH2+]C(C)C)cc1F ZINC000037900382 173828960 /nfs/dbraw/zinc/82/89/60/173828960.db2.gz MBKHZGLHBWIQGM-UHFFFAOYSA-N 1 0 254.349 2.142 10 10 CECERO CCN1CCC([NH2+][C@H](C)c2cc(O)ccc2O)CC1 ZINC000038097926 174112410 /nfs/dbraw/zinc/11/24/10/174112410.db2.gz SEHDADZFCLSPDC-LLVKDONJSA-N 1 0 264.369 2.233 10 10 CECERO COc1ccc(N(CC[NH3+])Cc2ccncc2)cc1 ZINC000076664299 177050618 /nfs/dbraw/zinc/05/06/18/177050618.db2.gz XIAJUUCORLSVMX-UHFFFAOYSA-N 1 0 257.337 2.056 10 10 CECERO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccccc1O ZINC000183547432 261979920 /nfs/dbraw/zinc/97/99/20/261979920.db2.gz UBWJFCORVGWLIG-PWSUYJOCSA-N 1 0 258.325 2.169 10 10 CECERO C[NH2+]Cc1ccc(N2CCC[C@H]2CCCO)c(F)c1 ZINC000052761711 522120716 /nfs/dbraw/zinc/12/07/16/522120716.db2.gz ACCFOPGPJBANQH-ZDUSSCGKSA-N 1 0 266.360 2.286 10 10 CECERO COCC[NH2+]Cc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 ZINC000062737452 523951045 /nfs/dbraw/zinc/95/10/45/523951045.db2.gz IGOJJZKVGBQGFZ-GOEBONIOSA-N 1 0 260.381 2.411 10 10 CECERO Cc1cc(C[NH2+]C(C)C)ccc1N1CCS(=O)CC1 ZINC000050561758 524751883 /nfs/dbraw/zinc/75/18/83/524751883.db2.gz SJUYCWOVTAMFIB-UHFFFAOYSA-N 1 0 280.437 2.062 10 10 CECERO COc1ccc(N2CC[NH2+]C[C@@H]2C(C)C)c(OC)c1 ZINC000083479492 536706009 /nfs/dbraw/zinc/70/60/09/536706009.db2.gz POZUZDOPZPXXNS-CQSZACIVSA-N 1 0 264.369 2.138 10 10 CECERO C[N@@+]12Cc3ccccc3C[C@@H]1NC(=O)c1ccccc12 ZINC000245229228 629121380 /nfs/dbraw/zinc/12/13/80/629121380.db2.gz RJGRHLIEWFFSEZ-APWZRJJASA-O 1 0 265.336 2.450 10 10 CECERO Cc1cc(C)c(O)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178892511 629236168 /nfs/dbraw/zinc/23/61/68/629236168.db2.gz RHRGKFRBBSJEDJ-OAHLLOKOSA-N 1 0 260.381 2.289 10 10 CECERO COc1cc(C)cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000164393506 639366811 /nfs/dbraw/zinc/36/68/11/639366811.db2.gz HMAWIOFEYNVTED-DZGCQCFKSA-N 1 0 290.407 2.378 10 10 CECERO [NH3+][C@H](CCO)c1ccc(OCc2ccccc2)cc1O ZINC000044236303 362151023 /nfs/dbraw/zinc/15/10/23/362151023.db2.gz PGLSPIUEGKGXLX-OAHLLOKOSA-N 1 0 273.332 2.353 10 10 CECERO Cc1cnn(CC[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000113338690 364889093 /nfs/dbraw/zinc/88/90/93/364889093.db2.gz MGBGMJVMAAGCIF-UHFFFAOYSA-N 1 0 265.744 2.340 10 10 CECERO CCC[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000120498274 365432389 /nfs/dbraw/zinc/43/23/89/365432389.db2.gz ODUADIXLPBRXMB-INIZCTEOSA-N 1 0 291.439 2.441 10 10 CECERO Cc1cccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1O ZINC000180066641 368367237 /nfs/dbraw/zinc/36/72/37/368367237.db2.gz MNXBLGJKWUHEEN-AWEZNQCLSA-N 1 0 272.352 2.129 10 10 CECERO Oc1cc([C@H](O)C[NH2+]C2CCCC2)cc(Cl)c1O ZINC000199563052 370148944 /nfs/dbraw/zinc/14/89/44/370148944.db2.gz IRKMAGYGIANYCC-GFCCVEGCSA-N 1 0 271.744 2.317 10 10 CECERO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000007982897 170311620 /nfs/dbraw/zinc/31/16/20/170311620.db2.gz SQPUHTQLXZGKCV-HNNXBMFYSA-N 1 0 284.359 2.385 10 10 CECERO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccc(N)cc1 ZINC000022210350 171372920 /nfs/dbraw/zinc/37/29/20/171372920.db2.gz BBMOBDAHEWUPFC-TXEJJXNPSA-N 1 0 261.369 2.470 10 10 CECERO C[NH2+]CC[C@H]1CCN(c2ccc(OC)c(OC)c2)C1 ZINC000076368814 177005895 /nfs/dbraw/zinc/00/58/95/177005895.db2.gz HQITYZJXRIIYDS-LBPRGKRZSA-N 1 0 264.369 2.140 10 10 CECERO CCC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+](C)C ZINC000161275517 261241852 /nfs/dbraw/zinc/24/18/52/261241852.db2.gz SNHUQPMPUDUADD-HNNXBMFYSA-N 1 0 277.412 2.099 10 10 CECERO CCC[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000161836010 261261648 /nfs/dbraw/zinc/26/16/48/261261648.db2.gz DCAZQCGEBYUUCE-HNNXBMFYSA-N 1 0 295.402 2.238 10 10 CECERO CCC[NH2+][C@@H](C)c1ccc(N2CC[C@H](O)C2)c(F)c1 ZINC000061710640 519989370 /nfs/dbraw/zinc/98/93/70/519989370.db2.gz IHMLDQLYWAZWCG-AAEUAGOBSA-N 1 0 266.360 2.457 10 10 CECERO C[NH2+]Cc1cc(F)c(N2CCOCC2(C)C)c(F)c1 ZINC000062712191 522113386 /nfs/dbraw/zinc/11/33/86/522113386.db2.gz FFKTVIGPJHFPKW-UHFFFAOYSA-N 1 0 270.323 2.299 10 10 CECERO Cc1cc(C[NH2+]C(C)C)ccc1N1CCC(O)CC1 ZINC000050559954 524750436 /nfs/dbraw/zinc/75/04/36/524750436.db2.gz PHIRKYZHNZBNEM-UHFFFAOYSA-N 1 0 262.397 2.454 10 10 CECERO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000128504636 525342764 /nfs/dbraw/zinc/34/27/64/525342764.db2.gz PABJSIYVFNWGDR-AWEZNQCLSA-N 1 0 286.379 2.204 10 10 CECERO CCOc1cccc(C[NH2+][C@H]2CCCN(CC)C2)c1O ZINC000040502191 627954665 /nfs/dbraw/zinc/95/46/65/627954665.db2.gz IBEOJXMZIOJRNZ-AWEZNQCLSA-N 1 0 278.396 2.365 10 10 CECERO CC(=O)c1cc(Cl)cc(CN2CC[C@H]([NH+](C)C)C2)c1O ZINC000062966534 639801028 /nfs/dbraw/zinc/80/10/28/639801028.db2.gz LWKRNFZKICLHKV-ZDUSSCGKSA-N 1 0 296.798 2.384 10 10 CECERO CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1O ZINC000020206651 649739734 /nfs/dbraw/zinc/73/97/34/649739734.db2.gz UIQBECKHJRJDHA-WCQYABFASA-N 1 0 265.353 2.448 10 10 CECERO CN(C)c1cccc(NC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000082698862 178199722 /nfs/dbraw/zinc/19/97/22/178199722.db2.gz GNEROBOZGXVVGR-UHFFFAOYSA-N 1 0 269.348 2.464 10 10 CECERO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000123183923 365635720 /nfs/dbraw/zinc/63/57/20/365635720.db2.gz PMRVOCALTDBROK-CQSZACIVSA-N 1 0 276.380 2.138 10 10 CECERO C[C@@H]([NH3+])c1ccc(N2CCC[C@H]2CO)c(Br)c1 ZINC000109568172 186263807 /nfs/dbraw/zinc/26/38/07/186263807.db2.gz LOTMYEKZYWSLDL-KOLCDFICSA-N 1 0 299.212 2.430 10 10 CECERO C[NH+](C)[C@@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000134173058 366294342 /nfs/dbraw/zinc/29/43/42/366294342.db2.gz BOJYVZKMFRQXKS-SNVBAGLBSA-N 1 0 254.761 2.182 10 10 CECERO C[C@H]([NH2+]CCO)c1ccc(N2CCCC2)c(F)c1 ZINC000020550909 361583174 /nfs/dbraw/zinc/58/31/74/361583174.db2.gz SFEUDGHWDNXNIL-NSHDSACASA-N 1 0 252.333 2.069 10 10 CECERO CC[N@H+](Cc1ccc(N)cc1)[C@@H](C)C(=O)NC(C)C ZINC000035364042 172153346 /nfs/dbraw/zinc/15/33/46/172153346.db2.gz NXJUMLRYLDJOTH-LBPRGKRZSA-N 1 0 263.385 2.004 10 10 CECERO CCC[NH2+][C@@H]1CCN(c2ccc(OC)c(OC)c2)C1 ZINC000037240745 173057157 /nfs/dbraw/zinc/05/71/57/173057157.db2.gz SUYXKJHUXQYDJG-GFCCVEGCSA-N 1 0 264.369 2.282 10 10 CECERO CC(C)C[N@@H+]1CCO[C@H](COc2ccc(N)cc2)C1 ZINC000038055478 174066956 /nfs/dbraw/zinc/06/69/56/174066956.db2.gz IGOGDQAAOLLGBB-HNNXBMFYSA-N 1 0 264.369 2.004 10 10 CECERO COc1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C)c(O)c1 ZINC000038088243 174101110 /nfs/dbraw/zinc/10/11/10/174101110.db2.gz NHIKLYBFBYQTKQ-WDEREUQCSA-N 1 0 252.358 2.002 10 10 CECERO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cc(O)ccc1O ZINC000038095565 174109488 /nfs/dbraw/zinc/10/94/88/174109488.db2.gz KFHFDBSTGCQIFR-ZYHUDNBSSA-N 1 0 251.326 2.318 10 10 CECERO CC1CCN([C@@H](C[NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000038827587 174156635 /nfs/dbraw/zinc/15/66/35/174156635.db2.gz SVBHLBNYXOAYLS-INIZCTEOSA-N 1 0 261.413 2.484 10 10 CECERO CC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccc1O ZINC000185207147 262046292 /nfs/dbraw/zinc/04/62/92/262046292.db2.gz QSFCALHRPNONLU-DZGCQCFKSA-N 1 0 278.396 2.154 10 10 CECERO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](O)[C@H]2C)c1O ZINC000296260173 327093641 /nfs/dbraw/zinc/09/36/41/327093641.db2.gz OBMZPLKYTFYXFN-OTYXRUKQSA-N 1 0 281.327 2.079 10 10 CECERO Oc1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000179567618 329209782 /nfs/dbraw/zinc/20/97/82/329209782.db2.gz CZWZILCSEUPBTJ-UHFFFAOYSA-N 1 0 257.337 2.495 10 10 CECERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000219017973 333140387 /nfs/dbraw/zinc/14/03/87/333140387.db2.gz AWFWABBLLIRBSS-CABCVRRESA-N 1 0 261.365 2.262 10 10 CECERO C[C@@H]([NH3+])c1ccc(N2CCC(C(N)=O)CC2)c(Cl)c1 ZINC000061694233 525027217 /nfs/dbraw/zinc/02/72/17/525027217.db2.gz XWQHRHCCKRKMMS-SECBINFHSA-N 1 0 281.787 2.061 10 10 CECERO COc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC000126892554 525955853 /nfs/dbraw/zinc/95/58/53/525955853.db2.gz ZXBGKVPFWXJSAK-GHMZBOCLSA-N 1 0 251.326 2.010 10 10 CECERO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000089151217 640108206 /nfs/dbraw/zinc/10/82/06/640108206.db2.gz WFOCHFXQIDJKAJ-CABZTGNLSA-N 1 0 255.745 2.296 10 10 CECERO [NH3+]C[C@H]1CCCN1Cc1cc(Br)ccc1O ZINC000220298802 644265252 /nfs/dbraw/zinc/26/52/52/644265252.db2.gz SXZQDYPOSSHDNH-LLVKDONJSA-N 1 0 285.185 2.078 10 10 CECERO COc1ccc(Br)c([C@@H]([NH3+])CF)c1O ZINC000238432328 344606597 /nfs/dbraw/zinc/60/65/97/344606597.db2.gz YRWZGKDITSWIAI-LURJTMIESA-N 1 0 264.094 2.133 10 10 CECERO C[N@H+](CCOc1cccc(N)c1)CCc1ccc(N)cc1 ZINC000584594881 344961380 /nfs/dbraw/zinc/96/13/80/344961380.db2.gz AHUVZYIEKHZJRL-UHFFFAOYSA-N 1 0 285.391 2.404 10 10 CECERO C[NH+](C)Cc1cc(I)ccc1O ZINC000584621748 344966900 /nfs/dbraw/zinc/96/69/00/344966900.db2.gz OCMQKTZPSINFME-UHFFFAOYSA-N 1 0 277.105 2.058 10 10 CECERO CC([N+]#N)[C@@H](Cc1ccc2ccccc2c1)C(N)=O ZINC000584626837 344968968 /nfs/dbraw/zinc/96/89/68/344968968.db2.gz YVDYHSVGWZKWKI-CQSZACIVSA-N 1 0 253.305 2.175 10 10 CECERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1c1ccc2c(c1)OCCO2 ZINC000083548536 535263959 /nfs/dbraw/zinc/26/39/59/535263959.db2.gz HMRLIAAYZQKVSV-JSGCOSHPSA-N 1 0 276.380 2.281 10 10 CECERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(F)ccc1O ZINC000180128676 368367708 /nfs/dbraw/zinc/36/77/08/368367708.db2.gz KKYUHINVKAUAPY-CQSZACIVSA-N 1 0 266.360 2.447 10 10 CECERO CN(Cc1c(O)cccc1Cl)C[C@@H]1CC[N@H+](C)C1 ZINC000156019059 261111234 /nfs/dbraw/zinc/11/12/34/261111234.db2.gz HPXWTZBKLGWPIQ-LLVKDONJSA-N 1 0 268.788 2.429 10 10 CECERO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000189994702 369586544 /nfs/dbraw/zinc/58/65/44/369586544.db2.gz MLWBWGYWPJXZJI-HNNXBMFYSA-N 1 0 263.337 2.228 10 10 CECERO [O-]c1c(F)cccc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000226343884 370336779 /nfs/dbraw/zinc/33/67/79/370336779.db2.gz RVVYAHCBZGUZJU-KGLIPLIRSA-N 1 0 264.344 2.248 10 10 CECERO CC[C@@H]1CN(c2ccc(OC)c(F)c2)[C@H](C)C[NH2+]1 ZINC000083393323 135017949 /nfs/dbraw/zinc/01/79/49/135017949.db2.gz ZSZSKZBHJVYLOS-GHMZBOCLSA-N 1 0 252.333 2.411 10 10 CECERO C[C@H]1C[NH2+]CCN1c1ccc(OC(F)(F)F)cc1 ZINC000083433804 135021019 /nfs/dbraw/zinc/02/10/19/135021019.db2.gz HZKLRBQUOPEGKO-VIFPVBQESA-N 1 0 260.259 2.383 10 10 CECERO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(O)cc1O)N(C)C ZINC000020145664 171030956 /nfs/dbraw/zinc/03/09/56/171030956.db2.gz NGFNHDBLRXJKSS-FZMZJTMJSA-N 1 0 266.385 2.335 10 10 CECERO CCC[NH2+][C@@H]1CCN(c2ccc(OC)c(F)c2)C1 ZINC000037290770 173096194 /nfs/dbraw/zinc/09/61/94/173096194.db2.gz DZLCCGALBFGGOM-LLVKDONJSA-N 1 0 252.333 2.413 10 10 CECERO COCCN(CC(C)C)c1ccc(C[NH3+])cc1F ZINC000044412269 175171734 /nfs/dbraw/zinc/17/17/34/175171734.db2.gz LQJNTRJNRARMGU-UHFFFAOYSA-N 1 0 254.349 2.393 10 10 CECERO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180499092 261862643 /nfs/dbraw/zinc/86/26/43/261862643.db2.gz XVHIQHFWUXJXEU-RHSMWYFYSA-N 1 0 291.439 2.124 10 10 CECERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)c1 ZINC000185662571 262065112 /nfs/dbraw/zinc/06/51/12/262065112.db2.gz IDCNRZUZCAEEKG-DGCLKSJQSA-N 1 0 272.352 2.478 10 10 CECERO CCC[NH2+]Cc1ccc(N2CCC[C@@H](O)C2)cc1C ZINC000050583586 519949967 /nfs/dbraw/zinc/94/99/67/519949967.db2.gz DWYAWNUVIWTUIS-MRXNPFEDSA-N 1 0 262.397 2.456 10 10 CECERO Cc1cc(N2CCC(O)CC2)ccc1C[NH2+]C1CC1 ZINC000050581467 525060242 /nfs/dbraw/zinc/06/02/42/525060242.db2.gz NWNJCZDYSMKTQZ-UHFFFAOYSA-N 1 0 260.381 2.208 10 10 CECERO Cc1cnn(CC[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185843879 642040785 /nfs/dbraw/zinc/04/07/85/642040785.db2.gz BRFVSEQHOAUOBD-NSHDSACASA-N 1 0 263.316 2.387 10 10 CECERO CCOc1cccc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)c1O ZINC000217749076 540169142 /nfs/dbraw/zinc/16/91/42/540169142.db2.gz CZBSRYFAZUNNRH-JSGCOSHPSA-N 1 0 278.396 2.173 10 10 CECERO Oc1cc([C@@H](O)C[NH2+]C2CCCC2)cc(Cl)c1O ZINC000199563065 370149045 /nfs/dbraw/zinc/14/90/45/370149045.db2.gz IRKMAGYGIANYCC-LBPRGKRZSA-N 1 0 271.744 2.317 10 10 CECERO Cc1cc(O)c(CN2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000247083186 371061794 /nfs/dbraw/zinc/06/17/94/371061794.db2.gz NKGULVJHELXOHL-HNNXBMFYSA-N 1 0 260.381 2.289 10 10 CECERO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(N(C)C)cc1 ZINC000180594447 261867038 /nfs/dbraw/zinc/86/70/38/261867038.db2.gz LBYVNPKXPARENL-ZBFHGGJFSA-N 1 0 299.422 2.400 10 10 CECERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Cl)ccc1O ZINC000185973806 262074287 /nfs/dbraw/zinc/07/42/87/262074287.db2.gz MSVAFNAYQFVHLL-JQWIXIFHSA-N 1 0 284.787 2.027 10 10 CECERO CC[C@H]1C[NH2+]CCN1c1ccc(OC(F)F)cc1 ZINC000083415194 135020070 /nfs/dbraw/zinc/02/00/70/135020070.db2.gz DKDGXKDGCHMFDZ-JTQLQIEISA-N 1 0 256.296 2.476 10 10 CECERO CC(C)C(=O)NCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020125194 171008579 /nfs/dbraw/zinc/00/85/79/171008579.db2.gz ISGMUSXEKIZNQD-UHFFFAOYSA-N 1 0 286.375 2.407 10 10 CECERO CC(C)COCCC[NH2+]Cc1ccc(O)c(O)c1 ZINC000020147193 171033898 /nfs/dbraw/zinc/03/38/98/171033898.db2.gz OLDPAMKQILEGEG-UHFFFAOYSA-N 1 0 253.342 2.250 10 10 CECERO CCC[NH2+][C@@H]1CCN(c2ccc(OC)cc2OC)C1 ZINC000037241070 173058020 /nfs/dbraw/zinc/05/80/20/173058020.db2.gz FFAKBPLWGWFTNL-GFCCVEGCSA-N 1 0 264.369 2.282 10 10 CECERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCS(C)(=O)=O ZINC000038047276 174057341 /nfs/dbraw/zinc/05/73/41/174057341.db2.gz NORQHIQQVBWVBM-NWDGAFQWSA-N 1 0 297.420 2.273 10 10 CECERO CCC[C@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+](C)C ZINC000161275639 261242119 /nfs/dbraw/zinc/24/21/19/261242119.db2.gz SNHUQPMPUDUADD-OAHLLOKOSA-N 1 0 277.412 2.099 10 10 CECERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c1 ZINC000185114860 262042047 /nfs/dbraw/zinc/04/20/47/262042047.db2.gz QYFQVMLMMXWJRH-GJZGRUSLSA-N 1 0 292.423 2.198 10 10 CECERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCn3ncnc32)c1 ZINC000185662781 262064856 /nfs/dbraw/zinc/06/48/56/262064856.db2.gz FGQJGLCICCGEEY-GWCFXTLKSA-N 1 0 288.351 2.178 10 10 CECERO CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2O)c1O ZINC000051991431 327547940 /nfs/dbraw/zinc/54/79/40/327547940.db2.gz PUKIAZBQGOQGEN-QWHCGFSZSA-N 1 0 265.353 2.184 10 10 CECERO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000183257772 329248994 /nfs/dbraw/zinc/24/89/94/329248994.db2.gz ZZOINAVDBIXEPC-LBPRGKRZSA-N 1 0 290.342 2.035 10 10 CECERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000219017905 333140370 /nfs/dbraw/zinc/14/03/70/333140370.db2.gz AWFWABBLLIRBSS-GJZGRUSLSA-N 1 0 261.365 2.262 10 10 CECERO CCN(CC(=O)NC(C)C)c1ccc(C[NH3+])cc1Cl ZINC000062793049 520325940 /nfs/dbraw/zinc/32/59/40/520325940.db2.gz HRQNDVAMLZLRSC-UHFFFAOYSA-N 1 0 283.803 2.150 10 10 CECERO CN1CCCc2cc(C[NH2+]C[C@H]3CCOC3)ccc21 ZINC000050286701 523863396 /nfs/dbraw/zinc/86/33/96/523863396.db2.gz LIENTWQEHZMWBJ-CQSZACIVSA-N 1 0 260.381 2.195 10 10 CECERO Nc1ccc(CC[N@H+](CCO)Cc2ccccc2)cc1 ZINC000050513838 527479721 /nfs/dbraw/zinc/47/97/21/527479721.db2.gz XYBYDCQJJJLLIZ-UHFFFAOYSA-N 1 0 270.376 2.306 10 10 CECERO COc1cc(Cl)cc(CN2CCCC[C@H]2C[NH3+])c1O ZINC000229102599 639676781 /nfs/dbraw/zinc/67/67/81/639676781.db2.gz WLFZFSUTIRXDAO-LBPRGKRZSA-N 1 0 284.787 2.367 10 10 CECERO CCOCCN1CC[N@H+](Cc2cccc(C)c2O)C[C@@H]1C ZINC000180086601 641412497 /nfs/dbraw/zinc/41/24/97/641412497.db2.gz XCMQIRZEIMCICK-HNNXBMFYSA-N 1 0 292.423 2.243 10 10 CECERO CCCOc1cc(N2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000111051114 136560395 /nfs/dbraw/zinc/56/03/95/136560395.db2.gz OOAUQCSFPKCMPV-LLVKDONJSA-N 1 0 279.340 2.311 10 10 CECERO CCOc1cccc(C[NH2+][C@H]2CCO[C@H]2C)c1O ZINC000134247201 366302153 /nfs/dbraw/zinc/30/21/53/366302153.db2.gz SGVGHCPTUNJHRA-JQWIXIFHSA-N 1 0 251.326 2.058 10 10 CECERO Cc1c(O)c(O)cc2c1[C@H](c1ccc(O)cc1)C[NH2+]CC2 ZINC000026396327 361638921 /nfs/dbraw/zinc/63/89/21/361638921.db2.gz DTGMXOHYVKKNMC-AWEZNQCLSA-N 1 0 285.343 2.389 10 10 CECERO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000180493263 368383033 /nfs/dbraw/zinc/38/30/33/368383033.db2.gz RJQXSRVKIDXEJD-IRXDYDNUSA-N 1 0 291.439 2.124 10 10 CECERO [NH3+]Cc1ccc(N2CCC(O)CC2)cc1C(F)(F)F ZINC000036805682 134823898 /nfs/dbraw/zinc/82/38/98/134823898.db2.gz CJBHBFDAERXZRC-UHFFFAOYSA-N 1 0 274.286 2.125 10 10 CECERO CC[C@@H]1CN(c2ccc3c(c2)OCO3)[C@H](CC)C[NH2+]1 ZINC000083456584 135023013 /nfs/dbraw/zinc/02/30/13/135023013.db2.gz FLWKUWPMOVHPRV-VXGBXAGGSA-N 1 0 262.353 2.382 10 10 CECERO CC(C)[C@H]1CN(c2ccc3c(c2)OCCO3)[C@H](C)C[NH2+]1 ZINC000083548470 135028986 /nfs/dbraw/zinc/02/89/86/135028986.db2.gz LQMMMEWLPVPKQT-TZMCWYRMSA-N 1 0 276.380 2.281 10 10 CECERO Cc1c[nH+]ccc1N1CCN(c2ccc(N)cc2)CC1 ZINC000070489764 394586894 /nfs/dbraw/zinc/58/68/94/394586894.db2.gz UCZKBABAUAAEFL-UHFFFAOYSA-N 1 0 268.364 2.299 10 10 CECERO Cc1cc(O)c(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000172502702 395104011 /nfs/dbraw/zinc/10/40/11/395104011.db2.gz NKGULVJHELXOHL-OAHLLOKOSA-N 1 0 260.381 2.289 10 10 CECERO COc1ccc([C@@H](C)[NH2+]CCN2CCCC2)c(O)c1 ZINC000020127089 171011747 /nfs/dbraw/zinc/01/17/47/171011747.db2.gz VCJNSXSAYHPRBV-GFCCVEGCSA-N 1 0 264.369 2.147 10 10 CECERO COc1ccc(O)c(C[NH2+]C[C@@H](C(C)C)N(C)C)c1 ZINC000020145985 171032162 /nfs/dbraw/zinc/03/21/62/171032162.db2.gz LLECPMUQDAPIKM-AWEZNQCLSA-N 1 0 266.385 2.077 10 10 CECERO CC[C@H](C)[N@H+](CC)CC(=O)N(C)c1ccc(N)cc1 ZINC000037273451 173085236 /nfs/dbraw/zinc/08/52/36/173085236.db2.gz ADPJCKGRRQDRSI-LBPRGKRZSA-N 1 0 263.385 2.352 10 10 CECERO C[N@@H+](Cc1cccc(F)c1[O-])C[C@@H]1CCCOC1 ZINC000160237336 264237091 /nfs/dbraw/zinc/23/70/91/264237091.db2.gz AUBCQKHYZGKETD-NSHDSACASA-N 1 0 253.317 2.390 10 10 CECERO COc1ccc(N2CCC[NH2+]C[C@@H](C)C2)cc1F ZINC000049666139 524406205 /nfs/dbraw/zinc/40/62/05/524406205.db2.gz NZUJFHGSBXPUTG-LLVKDONJSA-N 1 0 252.333 2.270 10 10 CECERO C[C@H](c1ccc(F)cc1O)N1CCCC[C@@H]1C[NH3+] ZINC000062749279 526063990 /nfs/dbraw/zinc/06/39/90/526063990.db2.gz DYTJZFGOHNPQQV-ZYHUDNBSSA-N 1 0 252.333 2.406 10 10 CECERO Oc1cc2c(cc1C[NH2+][C@H]1COc3ccccc31)OCO2 ZINC000070070146 526337304 /nfs/dbraw/zinc/33/73/04/526337304.db2.gz FOCCGFHTRACRDW-LBPRGKRZSA-N 1 0 285.299 2.344 10 10 CECERO COc1cc(Br)cc([C@@H]([NH3+])CF)c1O ZINC000238453940 344606520 /nfs/dbraw/zinc/60/65/20/344606520.db2.gz UPHCEUMRNLVFJQ-ZETCQYMHSA-N 1 0 264.094 2.133 10 10 CECERO CCCOc1cc(N2CC[C@H](C[NH2+]C)C2)ccc1[N+](=O)[O-] ZINC000111051881 186348245 /nfs/dbraw/zinc/34/82/45/186348245.db2.gz OTGKPMOMXJFZOF-GFCCVEGCSA-N 1 0 293.367 2.429 10 10 CECERO C[N@H+]1Cc2c(N)cccc2[C@H](c2ccc(O)c(O)c2)C1 ZINC000027102842 361648761 /nfs/dbraw/zinc/64/87/61/361648761.db2.gz ODIYTWXTFQEXKZ-LBPRGKRZSA-N 1 0 270.332 2.257 10 10 CECERO COC(=O)[C@H]1CCCN1Cc1cc(Cl)cc(C)c1O ZINC000179661192 368347037 /nfs/dbraw/zinc/34/70/37/368347037.db2.gz LYTAYDOFWOLUQP-GFCCVEGCSA-N 1 0 283.755 2.491 10 10 CECERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c(O)c1 ZINC000282494893 375498812 /nfs/dbraw/zinc/49/88/12/375498812.db2.gz XRTZJZYAKXXTHB-DMDPSCGWSA-N 1 0 262.353 2.018 10 10 CECERO COc1ccc(O)c(C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000180041451 261834508 /nfs/dbraw/zinc/83/45/08/261834508.db2.gz BNRIXTYKBGPZFS-JTQLQIEISA-N 1 0 253.367 2.338 10 10 CECERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC000183597185 329250865 /nfs/dbraw/zinc/25/08/65/329250865.db2.gz BTLGJPPYCORNSG-RYUDHWBXSA-N 1 0 286.379 2.212 10 10 CECERO CCOc1ccc(N2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000083479381 535734521 /nfs/dbraw/zinc/73/45/21/535734521.db2.gz HBPIUDGTEODTDL-LBPRGKRZSA-N 1 0 264.369 2.282 10 10 CECERO CCOc1ccc(O)c(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000127005244 521149402 /nfs/dbraw/zinc/14/94/02/521149402.db2.gz QHNNDWJSNDYHMZ-VXGBXAGGSA-N 1 0 265.353 2.400 10 10 CECERO C[NH2+][C@H]1CCCN([C@@H](C)c2ccc(F)cc2O)C1 ZINC000062749310 522497559 /nfs/dbraw/zinc/49/75/59/522497559.db2.gz OQSQXNZATQJVFQ-JQWIXIFHSA-N 1 0 252.333 2.276 10 10 CECERO COCC[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000062734304 523952011 /nfs/dbraw/zinc/95/20/11/523952011.db2.gz IEAWJORUANMUQH-ZIAGYGMSSA-N 1 0 278.396 2.036 10 10 CECERO C[C@@H]([NH3+])c1ccc(N2CCC[C@H](O)C2)c(Br)c1 ZINC000061696793 525025855 /nfs/dbraw/zinc/02/58/55/525025855.db2.gz BLSCJUFPOPMSNV-KOLCDFICSA-N 1 0 299.212 2.430 10 10 CECERO COc1ccc(N2CC[NH2+]C[C@@H]2C(C)C)cc1F ZINC000083393389 536704907 /nfs/dbraw/zinc/70/49/07/536704907.db2.gz REBOWTAPVUPEDJ-CYBMUJFWSA-N 1 0 252.333 2.269 10 10 CECERO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccc2ccccc2c1O ZINC000050394343 623406836 /nfs/dbraw/zinc/40/68/36/623406836.db2.gz DADBNXMWLUKFCY-XHDPSFHLSA-N 1 0 284.359 2.475 10 10 CECERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)c(O)c1O ZINC000083385044 178392644 /nfs/dbraw/zinc/39/26/44/178392644.db2.gz PXWMWMLWIKNTQD-KOLCDFICSA-N 1 0 251.326 2.472 10 10 CECERO CC(C)[NH2+][C@@H]1[C@@H]2CC[C@@H](C2)[C@@]1(O)c1ccc(O)c(O)c1 ZINC000027983455 361665688 /nfs/dbraw/zinc/66/56/88/361665688.db2.gz KEUBXSDYVDQAIJ-OXUXUCFPSA-N 1 0 277.364 2.082 10 10 CECERO CC(C)c1nnc(CN(C)Cc2ccccc2O)n1C ZINC000111235003 364724943 /nfs/dbraw/zinc/72/49/43/364724943.db2.gz UUQDEJHHJVRSQD-UHFFFAOYSA-N 1 0 274.368 2.276 10 10 CECERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180499116 368384618 /nfs/dbraw/zinc/38/46/18/368384618.db2.gz XVHIQHFWUXJXEU-WMLDXEAASA-N 1 0 291.439 2.124 10 10 CECERO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1O ZINC000183156217 368612881 /nfs/dbraw/zinc/61/28/81/368612881.db2.gz TVDKZKOANLDHAI-XPTSAGLGSA-N 1 0 281.327 2.391 10 10 CECERO Cc1cccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1O ZINC000228177101 370398958 /nfs/dbraw/zinc/39/89/58/370398958.db2.gz QGTJLRLAUNXNIG-UKRRQHHQSA-N 1 0 260.381 2.369 10 10 CECERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccc(OC)c(OC)c1 ZINC000083479468 135023867 /nfs/dbraw/zinc/02/38/67/135023867.db2.gz KCBVWSYQCDLWHU-RYUDHWBXSA-N 1 0 264.369 2.281 10 10 CECERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(OC)ccc1O ZINC000182076066 395232940 /nfs/dbraw/zinc/23/29/40/395232940.db2.gz SIEOHCVDEHZRNE-HUUCEWRRSA-N 1 0 290.407 2.459 10 10 CECERO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(O)cc1O ZINC000020125794 171008984 /nfs/dbraw/zinc/00/89/84/171008984.db2.gz XZKKWKNDHKBRJN-SNVBAGLBSA-N 1 0 252.358 2.089 10 10 CECERO COc1ccc([C@H](C)[NH2+]CCN2CCCC2)c(O)c1 ZINC000020127090 171012195 /nfs/dbraw/zinc/01/21/95/171012195.db2.gz VCJNSXSAYHPRBV-LBPRGKRZSA-N 1 0 264.369 2.147 10 10 CECERO COc1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C)c(O)c1 ZINC000038088241 174101383 /nfs/dbraw/zinc/10/13/83/174101383.db2.gz NHIKLYBFBYQTKQ-QWRGUYRKSA-N 1 0 252.358 2.002 10 10 CECERO CCN1CCC([NH2+][C@@H](C)c2cc(O)ccc2O)CC1 ZINC000038097925 174111801 /nfs/dbraw/zinc/11/18/01/174111801.db2.gz SEHDADZFCLSPDC-NSHDSACASA-N 1 0 264.369 2.233 10 10 CECERO COc1ccc(N(CC[NH3+])Cc2ccccn2)cc1 ZINC000076664295 177050355 /nfs/dbraw/zinc/05/03/55/177050355.db2.gz XMNJGGRCIVYLHF-UHFFFAOYSA-N 1 0 257.337 2.056 10 10 CECERO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H]2C)c1O ZINC000228676773 329344247 /nfs/dbraw/zinc/34/42/47/329344247.db2.gz HBXNWXZBXCGPQT-GZMMTYOYSA-N 1 0 271.744 2.321 10 10 CECERO CC[C@H]1CN(c2c(F)cc(C[NH2+]C)cc2F)CCO1 ZINC000062710840 523306998 /nfs/dbraw/zinc/30/69/98/523306998.db2.gz HSWWCYXDPMOPFS-NSHDSACASA-N 1 0 270.323 2.299 10 10 CECERO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CCO)C2)c1O ZINC000226811762 639565310 /nfs/dbraw/zinc/56/53/10/639565310.db2.gz TXAAVYVPZNFCCR-NSHDSACASA-N 1 0 297.782 2.453 10 10 CECERO COc1cccc(C[N@@H+]2CCS[C@@H](C)C2)c1O ZINC000131388471 652421378 /nfs/dbraw/zinc/42/13/78/652421378.db2.gz QGSYNYXPNOTGEK-JTQLQIEISA-N 1 0 253.367 2.338 10 10 CECERO [NH3+]CC[C@@H]([NH3+])c1c([O-])c(Br)ccc1Cl ZINC000306560491 344714667 /nfs/dbraw/zinc/71/46/67/344714667.db2.gz BDTFCMXMKIIMHC-SSDOTTSWSA-N 1 0 279.565 2.157 10 10 CECERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(OC)c1O ZINC000248403840 371186905 /nfs/dbraw/zinc/18/69/05/371186905.db2.gz ZAWDUQDTBHCACP-CABCVRRESA-N 1 0 290.407 2.459 10 10 CECERO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C=[N+]=N ZINC000221425965 394462502 /nfs/dbraw/zinc/46/25/02/394462502.db2.gz GBWQBBFEXNNPNO-LBPRGKRZSA-O 1 0 290.343 2.001 10 10 CECERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc(O)c(O)c1 ZINC000037166785 173001287 /nfs/dbraw/zinc/00/12/87/173001287.db2.gz UJUKWJWYEKXOND-ZDUSSCGKSA-N 1 0 266.385 2.164 10 10 CECERO CC[N@@H+](CC(=O)N(C)c1ccc(N)cc1)CC(C)C ZINC000037273427 173085924 /nfs/dbraw/zinc/08/59/24/173085924.db2.gz RMAVIHSKVOLEAY-UHFFFAOYSA-N 1 0 263.385 2.210 10 10 CECERO COc1ccc(C[NH2+]Cc2cccc(O)c2O)cc1 ZINC000041116297 174484479 /nfs/dbraw/zinc/48/44/79/174484479.db2.gz CNVMXTIYTRLNRY-UHFFFAOYSA-N 1 0 259.305 2.396 10 10 CECERO COc1ccc(C[NH2+]Cc2scnc2C)c(O)c1 ZINC000071213039 176085032 /nfs/dbraw/zinc/08/50/32/176085032.db2.gz KWIZTNUQFDUTTE-UHFFFAOYSA-N 1 0 264.350 2.456 10 10 CECERO C[NH2+]CC[C@H]1CCN(c2ccc(OC)cc2OC)C1 ZINC000076368803 177005700 /nfs/dbraw/zinc/00/57/00/177005700.db2.gz DOLZNXXFUGJQLG-LBPRGKRZSA-N 1 0 264.369 2.140 10 10 CECERO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000154459026 261091702 /nfs/dbraw/zinc/09/17/02/261091702.db2.gz XDAOSZPGRXDFBU-YOEHRIQHSA-N 1 0 292.423 2.335 10 10 CECERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000219018127 333140410 /nfs/dbraw/zinc/14/04/10/333140410.db2.gz AWFWABBLLIRBSS-HUUCEWRRSA-N 1 0 261.365 2.262 10 10 CECERO CC(=O)c1cc(F)cc(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)c1O ZINC000251632816 334365958 /nfs/dbraw/zinc/36/59/58/334365958.db2.gz FNBFNELIEOAQIE-MEBBXXQBSA-N 1 0 294.370 2.116 10 10 CECERO CC(C)[NH2+]C[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1 ZINC000053012157 519723482 /nfs/dbraw/zinc/72/34/82/519723482.db2.gz DTKYPUFQEUBPCT-ZDUSSCGKSA-N 1 0 276.380 2.282 10 10 CECERO CC[C@@H]1CN(c2c(F)cc(C[NH2+]C)cc2F)CCO1 ZINC000062710837 523471143 /nfs/dbraw/zinc/47/11/43/523471143.db2.gz HSWWCYXDPMOPFS-LLVKDONJSA-N 1 0 270.323 2.299 10 10 CECERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(OC)cc1OC ZINC000083479462 536169730 /nfs/dbraw/zinc/16/97/30/536169730.db2.gz NRXGJZAEYCLOFS-NEPJUHHUSA-N 1 0 264.369 2.281 10 10 CECERO COc1ccc(N2CC[NH2+][C@@H](C(C)C)C2)cc1OC ZINC000083479374 536704967 /nfs/dbraw/zinc/70/49/67/536704967.db2.gz AVSPOYWQCIJJAN-CYBMUJFWSA-N 1 0 264.369 2.138 10 10 CECERO CCC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)[NH+](C)C ZINC000152375171 640216372 /nfs/dbraw/zinc/21/63/72/640216372.db2.gz VWAVMWOKDYKNMH-RISCZKNCSA-N 1 0 294.395 2.308 10 10 CECERO COc1cc(Br)cc([C@H]([NH3+])CF)c1O ZINC000238454404 344606782 /nfs/dbraw/zinc/60/67/82/344606782.db2.gz UPHCEUMRNLVFJQ-SSDOTTSWSA-N 1 0 264.094 2.133 10 10 CECERO Nc1ccc(Br)c([C@H]2CCC[NH2+]2)c1O ZINC000306506574 344713790 /nfs/dbraw/zinc/71/37/90/344713790.db2.gz GYIVLQORNMTWMZ-MRVPVSSYSA-N 1 0 257.131 2.161 10 10 CECERO Cc1c(O)c(O)cc2c1CC[NH2+]C[C@@H]2c1ccc(O)cc1 ZINC000026387005 361638590 /nfs/dbraw/zinc/63/85/90/361638590.db2.gz PZOZQUBWUKZUMM-OAHLLOKOSA-N 1 0 285.343 2.389 10 10 CECERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccc(OC)c(F)c1 ZINC000083393347 135018216 /nfs/dbraw/zinc/01/82/16/135018216.db2.gz HEIDUQCYDPNCEW-QWRGUYRKSA-N 1 0 252.333 2.411 10 10 CECERO CC(C)[C@H]1CN(c2ccc3c(c2)OCO3)[C@@H](C)C[NH2+]1 ZINC000083456571 135022379 /nfs/dbraw/zinc/02/23/79/135022379.db2.gz WANQDLALSMVEKT-WCQYABFASA-N 1 0 262.353 2.238 10 10 CECERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc2c(c1)OCO2 ZINC000083456586 135022934 /nfs/dbraw/zinc/02/29/34/135022934.db2.gz FLWKUWPMOVHPRV-NWDGAFQWSA-N 1 0 262.353 2.382 10 10 CECERO CN1CCCc2cc([C@@H](C[NH3+])N3CCCC3)ccc21 ZINC000034936234 394493101 /nfs/dbraw/zinc/49/31/01/394493101.db2.gz KLUAUWBSSNPNSI-MRXNPFEDSA-N 1 0 259.397 2.165 10 10 CECERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000183615604 395260877 /nfs/dbraw/zinc/26/08/77/395260877.db2.gz NZOFSCPGLUXIIV-GWCFXTLKSA-N 1 0 272.352 2.478 10 10 CECERO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1O ZINC000156503696 261124918 /nfs/dbraw/zinc/12/49/18/261124918.db2.gz RNFGHVHLNJOKRA-WCQYABFASA-N 1 0 272.352 2.039 10 10 CECERO CC[C@@](C)(O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000161504567 261249016 /nfs/dbraw/zinc/24/90/16/261249016.db2.gz PSYROAOKSCZMEX-MRXNPFEDSA-N 1 0 296.386 2.117 10 10 CECERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1O)CC2 ZINC000183597212 329250855 /nfs/dbraw/zinc/25/08/55/329250855.db2.gz BTLGJPPYCORNSG-NEPJUHHUSA-N 1 0 286.379 2.212 10 10 CECERO COc1ccc(N2CC[C@H](C[NH2+]C3CC3)C2)cc1OC ZINC000053011197 524440312 /nfs/dbraw/zinc/44/03/12/524440312.db2.gz PRGBQAZOMPJFOY-GFCCVEGCSA-N 1 0 276.380 2.282 10 10 CECERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000050394746 623406706 /nfs/dbraw/zinc/40/67/06/623406706.db2.gz CUHILOQUFBUNAC-MRXNPFEDSA-N 1 0 287.407 2.045 10 10 CECERO COc1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c1O ZINC000188415831 623537161 /nfs/dbraw/zinc/53/71/61/623537161.db2.gz ZEMDIZQBPHFITC-AWEZNQCLSA-N 1 0 287.363 2.262 10 10 CECERO CC[C@@H]([NH2+]C[C@H]1CN(CC)CCO1)c1ccccc1O ZINC000164047215 639343394 /nfs/dbraw/zinc/34/33/94/639343394.db2.gz RNFJORJYOINICP-DZGCQCFKSA-N 1 0 278.396 2.154 10 10 CECERO CN(C)c1ccc(CN(C)C(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000133209742 652613553 /nfs/dbraw/zinc/61/35/53/652613553.db2.gz WEVPTFPBOFATNG-KRWDZBQOSA-N 1 0 289.423 2.243 10 10 CECERO [NH3+]C[C@H]1OC2(CCCCC2)Cc2c(O)c(O)ccc21 ZINC000143043693 344404773 /nfs/dbraw/zinc/40/47/73/344404773.db2.gz MWZPAYJAPPEPRS-CYBMUJFWSA-N 1 0 263.337 2.373 10 10 CECERO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCS1 ZINC000171606460 367577537 /nfs/dbraw/zinc/57/75/37/367577537.db2.gz RAKQFHNCULYSNI-VIFPVBQESA-N 1 0 267.350 2.058 10 10 CECERO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000180603818 368388096 /nfs/dbraw/zinc/38/80/96/368388096.db2.gz BRTHUKSORQKLJK-UKRRQHHQSA-N 1 0 299.422 2.400 10 10 CECERO O=C(CC[NH2+]Cc1cc(Cl)ccc1O)N1CCCC1 ZINC000020127274 171013142 /nfs/dbraw/zinc/01/31/42/171013142.db2.gz YVCVLPJJDNBUOC-UHFFFAOYSA-N 1 0 282.771 2.148 10 10 CECERO C[C@@H]([NH2+]Cc1nnc2ccccn21)c1ccccc1O ZINC000020185427 171048819 /nfs/dbraw/zinc/04/88/19/171048819.db2.gz FMVZZTQJCZVFCV-LLVKDONJSA-N 1 0 268.320 2.286 10 10 CECERO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(N)cc2)C1 ZINC000022151496 171358526 /nfs/dbraw/zinc/35/85/26/171358526.db2.gz GFMRBYMIWMESRL-GFCCVEGCSA-N 1 0 261.369 2.329 10 10 CECERO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000022156460 171362581 /nfs/dbraw/zinc/36/25/81/171362581.db2.gz MLJMZXMNDQEGGW-LBPRGKRZSA-N 1 0 261.369 2.472 10 10 CECERO CC(C)Oc1ccc(N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000215977168 419461449 /nfs/dbraw/zinc/46/14/49/419461449.db2.gz CYCYZIXCLWLDPV-UHFFFAOYSA-N 1 0 279.340 2.134 10 10 CECERO CC[C@H](C)N(C)CC[NH2+]Cc1cccc(F)c1[O-] ZINC000226590724 262379525 /nfs/dbraw/zinc/37/95/25/262379525.db2.gz QWXIKZAUYUDDTR-NSHDSACASA-N 1 0 254.349 2.351 10 10 CECERO Oc1cc(Br)ccc1C[NH2+]CC1CC(O)C1 ZINC000529674109 297983104 /nfs/dbraw/zinc/98/31/04/297983104.db2.gz LFKJKUOOGUIGOJ-UHFFFAOYSA-N 1 0 286.169 2.015 10 10 CECERO CCN(CCO)c1ccc(C[NH2+]CC(C)C)cc1F ZINC000062736426 521123344 /nfs/dbraw/zinc/12/33/44/521123344.db2.gz JBLSTWYTSBKLTA-UHFFFAOYSA-N 1 0 268.376 2.390 10 10 CECERO C[NH2+][C@H](C)c1ccc(N(C)C[C@H](C)O)c(Cl)c1 ZINC000061698171 522447221 /nfs/dbraw/zinc/44/72/21/522447221.db2.gz UZUUGKFMRCYKIR-VHSXEESVSA-N 1 0 256.777 2.437 10 10 CECERO COCC[NH2+]Cc1ccc(N(C)CC(F)(F)F)cc1 ZINC000062736387 523951479 /nfs/dbraw/zinc/95/14/79/523951479.db2.gz PHWNXWZDIMKOSI-UHFFFAOYSA-N 1 0 276.302 2.421 10 10 CECERO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164137911 639350232 /nfs/dbraw/zinc/35/02/32/639350232.db2.gz UWGAGLLJCDCJOX-HNNXBMFYSA-N 1 0 276.380 2.110 10 10 CECERO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070575985 641684930 /nfs/dbraw/zinc/68/49/30/641684930.db2.gz QXJMDWHQBLJTAJ-CABCVRRESA-N 1 0 289.423 2.229 10 10 CECERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(OC)ccc1O ZINC000248418231 371191414 /nfs/dbraw/zinc/19/14/14/371191414.db2.gz SIEOHCVDEHZRNE-CABCVRRESA-N 1 0 290.407 2.459 10 10 CECERO C[C@H](NCc1cccc(F)c1O)C(=O)OC(C)(C)C ZINC000274485631 373940313 /nfs/dbraw/zinc/94/03/13/373940313.db2.gz NPUUOWQDZLKBHM-VIFPVBQESA-N 1 0 269.316 2.351 10 10 CECERO CC[C@@H]1CN(c2ccc(OC)c(OC)c2)[C@H](C)C[NH2+]1 ZINC000083479425 135023839 /nfs/dbraw/zinc/02/38/39/135023839.db2.gz VXSZJKUMNHBJDD-VXGBXAGGSA-N 1 0 264.369 2.281 10 10 CECERO C[C@@H](C(=O)Nc1ccc(N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000022152238 171359576 /nfs/dbraw/zinc/35/95/76/171359576.db2.gz HPDDKNGBKNUYGX-NEPJUHHUSA-N 1 0 261.369 2.328 10 10 CECERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCS(C)(=O)=O ZINC000038047273 174056935 /nfs/dbraw/zinc/05/69/35/174056935.db2.gz NORQHIQQVBWVBM-NEPJUHHUSA-N 1 0 297.420 2.273 10 10 CECERO Oc1ccc(CC[NH2+]Cc2ccc(O)cc2O)cc1 ZINC000040735507 174389297 /nfs/dbraw/zinc/38/92/97/174389297.db2.gz CLVKFPDOBRUKSU-UHFFFAOYSA-N 1 0 259.305 2.136 10 10 CECERO CCN([C@@H](C)c1cc(OC)ccc1O)[C@H]1CC[NH2+]C1 ZINC000071311930 176118726 /nfs/dbraw/zinc/11/87/26/176118726.db2.gz YCDFKRIRQXBYGR-RYUDHWBXSA-N 1 0 264.369 2.146 10 10 CECERO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1O ZINC000183156233 327818030 /nfs/dbraw/zinc/81/80/30/327818030.db2.gz TVDKZKOANLDHAI-OTYXRUKQSA-N 1 0 281.327 2.391 10 10 CECERO CCN(C[C@@H]1CCCO1)c1c(F)cc(C[NH3+])cc1F ZINC000062712379 521228295 /nfs/dbraw/zinc/22/82/95/521228295.db2.gz FAPLICJACAPQDE-NSHDSACASA-N 1 0 270.323 2.429 10 10 CECERO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000128486269 522176528 /nfs/dbraw/zinc/17/65/28/522176528.db2.gz XXVUUUBLGKKDKU-INIZCTEOSA-N 1 0 299.422 2.256 10 10 CECERO COCC[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000062734302 523951223 /nfs/dbraw/zinc/95/12/23/523951223.db2.gz IEAWJORUANMUQH-OKILXGFUSA-N 1 0 278.396 2.036 10 10 CECERO C[C@@H](O)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000173358231 639853004 /nfs/dbraw/zinc/85/30/04/639853004.db2.gz VJKGKAKILZPQJQ-GFCCVEGCSA-N 1 0 275.392 2.474 10 10 CECERO [NH3+]CC[C@@H]([NH3+])c1ccc(Cl)c(Br)c1[O-] ZINC000306562432 344714647 /nfs/dbraw/zinc/71/46/47/344714647.db2.gz CLGIXXRTAPUZNQ-SSDOTTSWSA-N 1 0 279.565 2.157 10 10 CECERO CC([N+]#N)[C@H](Cc1ccc2ccccc2c1)C(N)=O ZINC000584626836 344968670 /nfs/dbraw/zinc/96/86/70/344968670.db2.gz YVDYHSVGWZKWKI-AWEZNQCLSA-N 1 0 253.305 2.175 10 10 CECERO CCOc1cccc(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)c1O ZINC000131476075 366056478 /nfs/dbraw/zinc/05/64/78/366056478.db2.gz CZBSRYFAZUNNRH-TZMCWYRMSA-N 1 0 278.396 2.173 10 10 CECERO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)C=[N+]=N ZINC000575408847 366279963 /nfs/dbraw/zinc/27/99/63/366279963.db2.gz ATBIIHLCSYTMAC-ZDUSSCGKSA-O 1 0 290.343 2.207 10 10 CECERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2O)cn1 ZINC000180074517 368366345 /nfs/dbraw/zinc/36/63/45/368366345.db2.gz ZZSFYUKCMPLGCP-AWEZNQCLSA-N 1 0 257.337 2.463 10 10 CECERO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c(O)c1 ZINC000184935636 262034002 /nfs/dbraw/zinc/03/40/02/262034002.db2.gz GBBBFYQWBDABFX-KGLIPLIRSA-N 1 0 278.396 2.072 10 10 CECERO C[NH+]1CCC(CC[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000166114613 331306699 /nfs/dbraw/zinc/30/66/99/331306699.db2.gz KHAXVRMLFOIJEH-UHFFFAOYSA-N 1 0 266.360 2.353 10 10 CECERO CCN(CCOC)c1c(F)cc(C[NH2+]C)cc1F ZINC000062712634 521136934 /nfs/dbraw/zinc/13/69/34/521136934.db2.gz HFRCTOWRCBAOJE-UHFFFAOYSA-N 1 0 258.312 2.157 10 10 CECERO CC[NH2+]Cc1cc(F)c(N2CCOC[C@H]2C)c(F)c1 ZINC000062710748 519993354 /nfs/dbraw/zinc/99/33/54/519993354.db2.gz WKYZZXSXAPSMMK-SNVBAGLBSA-N 1 0 270.323 2.299 10 10 CECERO C[NH2+]Cc1cc(F)c(N2CCSCC2)c(F)c1 ZINC000062709910 522114700 /nfs/dbraw/zinc/11/47/00/522114700.db2.gz FHSRCSVVHUSYEF-UHFFFAOYSA-N 1 0 258.337 2.237 10 10 CECERO C[C@H]([NH3+])c1ccc(N2CCC[C@H](O)C2)c(Cl)c1 ZINC000061696778 524864965 /nfs/dbraw/zinc/86/49/65/524864965.db2.gz IMDFOZPUCBXSMC-ONGXEEELSA-N 1 0 254.761 2.321 10 10 CECERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000054076428 628847483 /nfs/dbraw/zinc/84/74/83/628847483.db2.gz ACEROKDOGAUOBV-CQSZACIVSA-N 1 0 289.423 2.243 10 10 CECERO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000077204364 363546382 /nfs/dbraw/zinc/54/63/82/363546382.db2.gz XJVRFIPPMPHEIT-HOCLYGCPSA-N 1 0 262.397 2.393 10 10 CECERO CC[NH+](CC)CCC[NH2+]Cc1cccc(F)c1[O-] ZINC000083399571 363771803 /nfs/dbraw/zinc/77/18/03/363771803.db2.gz VGLIFTREBFRLQD-UHFFFAOYSA-N 1 0 254.349 2.353 10 10 CECERO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000119504915 365282602 /nfs/dbraw/zinc/28/26/02/365282602.db2.gz ASTZRKUCLICFON-CYBMUJFWSA-N 1 0 292.770 2.474 10 10 CECERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1O ZINC000248404139 371187641 /nfs/dbraw/zinc/18/76/41/371187641.db2.gz ZWTRZZCDIWBVEN-CABCVRRESA-N 1 0 260.381 2.451 10 10 CECERO CC[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@H](C)C[NH2+]1 ZINC000083456566 135022576 /nfs/dbraw/zinc/02/25/76/135022576.db2.gz RPCGLUNXAAYGEU-VXGBXAGGSA-N 1 0 262.353 2.035 10 10 CECERO Cc1cccc(C[N@@H+]2CCN3CCCC[C@@H]3C2)c1O ZINC000124576650 394838980 /nfs/dbraw/zinc/83/89/80/394838980.db2.gz MBVGRPONJFNYSP-OAHLLOKOSA-N 1 0 260.381 2.371 10 10 CECERO CCOCCN1CC[N@H+](Cc2ccccc2O)C[C@@H]1CC ZINC000179571790 395196845 /nfs/dbraw/zinc/19/68/45/395196845.db2.gz PYYLZCYPBBPUDF-INIZCTEOSA-N 1 0 292.423 2.325 10 10 CECERO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(O)cc1O)N(C)C ZINC000020145666 171030918 /nfs/dbraw/zinc/03/09/18/171030918.db2.gz NGFNHDBLRXJKSS-RISCZKNCSA-N 1 0 266.385 2.335 10 10 CECERO CCNC(=O)[C@@H](C)[N@H+](Cc1ccc(N)cc1)C(C)C ZINC000035365434 172155115 /nfs/dbraw/zinc/15/51/15/172155115.db2.gz YCNYSDMAOILIDU-GFCCVEGCSA-N 1 0 263.385 2.004 10 10 CECERO CCOc1ccc(N2CC[C@@H]([NH2+]C)C2)cc1OCC ZINC000037240506 173057182 /nfs/dbraw/zinc/05/71/82/173057182.db2.gz VZXZJPOZYWPPFI-GFCCVEGCSA-N 1 0 264.369 2.282 10 10 CECERO CCCN([C@@H](C)c1ccc(O)cc1O)[C@H]1CC[NH2+]C1 ZINC000071314535 176121047 /nfs/dbraw/zinc/12/10/47/176121047.db2.gz VHHPOCWGQFQNRX-RYUDHWBXSA-N 1 0 264.369 2.233 10 10 CECERO COc1c(Cl)cc(N2CC[NH2+]CC2)cc1Cl ZINC000002556735 274090188 /nfs/dbraw/zinc/09/01/88/274090188.db2.gz AJOOWSQLZCGHIH-UHFFFAOYSA-N 1 0 261.152 2.412 10 10 CECERO CCN(CCO)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062736451 521124487 /nfs/dbraw/zinc/12/44/87/521124487.db2.gz LSEMSTCTGPRNSK-UHFFFAOYSA-N 1 0 250.386 2.393 10 10 CECERO CN(C[C@@H]1CCCCO1)c1c(F)cc(C[NH3+])cc1F ZINC000062712297 523034791 /nfs/dbraw/zinc/03/47/91/523034791.db2.gz NWBWAOQLSPODEA-NSHDSACASA-N 1 0 270.323 2.429 10 10 CECERO C[C@H]([NH3+])c1ccc(N2CCC[C@@H]2CO)c(Cl)c1 ZINC000061696197 524865064 /nfs/dbraw/zinc/86/50/64/524865064.db2.gz HFKNQZGZDATOBS-GXSJLCMTSA-N 1 0 254.761 2.321 10 10 CECERO Oc1cc2c(cc1C[NH2+][C@@H]1COc3ccccc31)OCO2 ZINC000070070145 526336725 /nfs/dbraw/zinc/33/67/25/526336725.db2.gz FOCCGFHTRACRDW-GFCCVEGCSA-N 1 0 285.299 2.344 10 10 CECERO c1cn2c(n1)CC[C@@H](C[NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000275646221 526537075 /nfs/dbraw/zinc/53/70/75/526537075.db2.gz TZSXMEIBHVEGKC-AWEZNQCLSA-N 1 0 283.375 2.170 10 10 CECERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(OC)c(OC)c1 ZINC000083479467 535825212 /nfs/dbraw/zinc/82/52/12/535825212.db2.gz KCBVWSYQCDLWHU-NWDGAFQWSA-N 1 0 264.369 2.281 10 10 CECERO CC[C@H]1CN(c2ccc(OC(F)F)cc2)CC[NH2+]1 ZINC000083415137 536160601 /nfs/dbraw/zinc/16/06/01/536160601.db2.gz CADZDSIKMMDBDG-JTQLQIEISA-N 1 0 256.296 2.476 10 10 CECERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000252762429 622576706 /nfs/dbraw/zinc/57/67/06/622576706.db2.gz YWTNHINRJWXJJC-RHSMWYFYSA-N 1 0 291.439 2.124 10 10 CECERO CCOc1cccc(CN2CCCC[C@H]2C[NH3+])c1O ZINC000044539591 639322022 /nfs/dbraw/zinc/32/20/22/639322022.db2.gz PXRZDWUPWOJOJU-ZDUSSCGKSA-N 1 0 264.369 2.104 10 10 CECERO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COC(C)(C)C)c1 ZINC000182460083 641662678 /nfs/dbraw/zinc/66/26/78/641662678.db2.gz XQSXAOJIKCNFCO-RYUDHWBXSA-N 1 0 297.395 2.227 10 10 CECERO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000124769220 365659006 /nfs/dbraw/zinc/65/90/06/365659006.db2.gz BCKNCIPJPKMOBZ-CYBMUJFWSA-N 1 0 263.337 2.146 10 10 CECERO Oc1cccc(Cl)c1C[NH2+][C@H]1C[C@H]2CC[C@@H]1O2 ZINC000152850354 366718491 /nfs/dbraw/zinc/71/84/91/366718491.db2.gz YDTOCJLMXUXRIZ-WLTAIBSBSA-N 1 0 253.729 2.455 10 10 CECERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(OC)c1O ZINC000156084061 366826612 /nfs/dbraw/zinc/82/66/12/366826612.db2.gz LOCQSGFBDNLZQV-CQSZACIVSA-N 1 0 278.396 2.317 10 10 CECERO [O-]c1c(Cl)cccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245839651 370879074 /nfs/dbraw/zinc/87/90/74/370879074.db2.gz JKVFDNGWKRUMJO-LBPRGKRZSA-N 1 0 266.772 2.326 10 10 CECERO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000179631499 368344334 /nfs/dbraw/zinc/34/43/34/368344334.db2.gz BTELBUGPAZDWSO-ZDUSSCGKSA-N 1 0 263.337 2.228 10 10 CECERO Cc1cccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1O ZINC000180330881 368376957 /nfs/dbraw/zinc/37/69/57/368376957.db2.gz SAXZFNLPJCTAGA-CYBMUJFWSA-N 1 0 271.364 2.424 10 10 CECERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(OC)ccc1O ZINC000248418232 371191134 /nfs/dbraw/zinc/19/11/34/371191134.db2.gz SIEOHCVDEHZRNE-GJZGRUSLSA-N 1 0 290.407 2.459 10 10 CECERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccccc1O ZINC000282277049 375445029 /nfs/dbraw/zinc/44/50/29/375445029.db2.gz KURXHHAYYKWFCS-WXHSDQCUSA-N 1 0 262.353 2.100 10 10 CECERO CC[C@@H]1CN(c2ccc(OC)cc2OC)[C@H](C)C[NH2+]1 ZINC000083479423 135023929 /nfs/dbraw/zinc/02/39/29/135023929.db2.gz TVWMBPAPEPPAEQ-VXGBXAGGSA-N 1 0 264.369 2.281 10 10 CECERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cc(O)ccc1O ZINC000020207043 171071564 /nfs/dbraw/zinc/07/15/64/171071564.db2.gz PTFBXFHQKVXRSK-BHDSKKPTSA-N 1 0 251.326 2.316 10 10 CECERO CC(C)[NH2+]CCC(=O)N(C)[C@@H](C)c1ccccc1O ZINC000037826569 173782824 /nfs/dbraw/zinc/78/28/24/173782824.db2.gz 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/nfs/dbraw/zinc/81/50/25/329815025.db2.gz BRTHUKSORQKLJK-HIFRSBDPSA-N 1 0 299.422 2.400 10 10 CECERO C[NH2+][C@H]1CCCN([C@H](C)c2ccc(F)cc2O)C1 ZINC000062749311 522499279 /nfs/dbraw/zinc/49/92/79/522499279.db2.gz OQSQXNZATQJVFQ-PWSUYJOCSA-N 1 0 252.333 2.276 10 10 CECERO CN(C[C@H]1CCCCO1)c1c(F)cc(C[NH3+])cc1F ZINC000062712300 523111226 /nfs/dbraw/zinc/11/12/26/523111226.db2.gz NWBWAOQLSPODEA-LLVKDONJSA-N 1 0 270.323 2.429 10 10 CECERO COc1ccc(N(C)Cc2ccc[nH+]c2NN)cc1 ZINC000052720545 524353099 /nfs/dbraw/zinc/35/30/99/524353099.db2.gz JFNLBZDLHQOQLU-UHFFFAOYSA-N 1 0 258.325 2.012 10 10 CECERO C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1[NH+](C)C ZINC000251779995 524608591 /nfs/dbraw/zinc/60/85/91/524608591.db2.gz MXCLDDVNWYAWDK-GXFFZTMASA-N 1 0 268.788 2.428 10 10 CECERO Cc1ccc(O)c(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000128514034 525346904 /nfs/dbraw/zinc/34/69/04/525346904.db2.gz ZINRDKMGUVKGCR-ZDUSSCGKSA-N 1 0 271.364 2.424 10 10 CECERO CCOc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1O ZINC000077204939 623149253 /nfs/dbraw/zinc/14/92/53/623149253.db2.gz LRXBJMYFWRBPJQ-TZMCWYRMSA-N 1 0 279.380 2.432 10 10 CECERO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CCO)C2)c1O ZINC000226811766 639564959 /nfs/dbraw/zinc/56/49/59/639564959.db2.gz TXAAVYVPZNFCCR-LLVKDONJSA-N 1 0 297.782 2.453 10 10 CECERO Cn1cc2c3c1cccc3C1=C[C@@H](CO)C[N@@H+](C)[C@@H]1C2 ZINC000034331303 343419600 /nfs/dbraw/zinc/41/96/00/343419600.db2.gz QVNZRXQLMGMTJF-BDJLRTHQSA-N 1 0 268.360 2.040 10 10 CECERO [NH3+]CCCC[C@@H]([NH3+])c1cccc(Br)c1[O-] ZINC000575439940 366287481 /nfs/dbraw/zinc/28/74/81/366287481.db2.gz OZMLEFBBBYGYFD-SNVBAGLBSA-N 1 0 273.174 2.284 10 10 CECERO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@H]2CCCO2)c1O ZINC000183156269 368612937 /nfs/dbraw/zinc/61/29/37/368612937.db2.gz TVDKZKOANLDHAI-YMTOWFKASA-N 1 0 281.327 2.391 10 10 CECERO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(O)cc1O)N(C)C ZINC000020145663 171030634 /nfs/dbraw/zinc/03/06/34/171030634.db2.gz NGFNHDBLRXJKSS-SMDDNHRTSA-N 1 0 266.385 2.335 10 10 CECERO Nc1ccc(NC(=O)CCC[NH+]2CCSCC2)cc1 ZINC000020256915 171111735 /nfs/dbraw/zinc/11/17/35/171111735.db2.gz QPHQPAILTMHULK-UHFFFAOYSA-N 1 0 279.409 2.036 10 10 CECERO C[C@@H]1C[NH+](CCCC(=O)Nc2ccc(N)cc2)C[C@@H](C)O1 ZINC000022153012 171360170 /nfs/dbraw/zinc/36/01/70/171360170.db2.gz HUUPOEPUOLCQJV-CHWSQXEVSA-N 1 0 291.395 2.097 10 10 CECERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCS(C)(=O)=O ZINC000038047274 174056480 /nfs/dbraw/zinc/05/64/80/174056480.db2.gz NORQHIQQVBWVBM-RYUDHWBXSA-N 1 0 297.420 2.273 10 10 CECERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cc(O)ccc1O ZINC000038095563 174109331 /nfs/dbraw/zinc/10/93/31/174109331.db2.gz KFHFDBSTGCQIFR-PWSUYJOCSA-N 1 0 251.326 2.318 10 10 CECERO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000071301771 176114469 /nfs/dbraw/zinc/11/44/69/176114469.db2.gz VWRUYSGNNFFBPZ-INIZCTEOSA-N 1 0 260.381 2.147 10 10 CECERO CC(C)CCN(CC[NH3+])c1ccc2c(c1)OCO2 ZINC000076654927 177045231 /nfs/dbraw/zinc/04/52/31/177045231.db2.gz JXTXGJIBDVESQB-UHFFFAOYSA-N 1 0 250.342 2.227 10 10 CECERO COc1cccc(C[NH2+][C@H](CC(C)C)CN(C)C)c1O ZINC000037167102 260072010 /nfs/dbraw/zinc/07/20/10/260072010.db2.gz KERCFGGGLRVXAL-CQSZACIVSA-N 1 0 280.412 2.467 10 10 CECERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cc(Cl)ccc1O ZINC000184934171 262034260 /nfs/dbraw/zinc/03/42/60/262034260.db2.gz ASKAQGXHCVCXDK-NWDGAFQWSA-N 1 0 298.814 2.417 10 10 CECERO CCN(CCO)c1c(F)cc(C[NH2+]C(C)C)cc1F ZINC000062711440 521124418 /nfs/dbraw/zinc/12/44/18/521124418.db2.gz FIDAPHGJXOBQHP-UHFFFAOYSA-N 1 0 272.339 2.281 10 10 CECERO CC[C@H]1CN(c2ccc3c(c2)OCCO3)[C@H](C)C[NH2+]1 ZINC000083456567 536161209 /nfs/dbraw/zinc/16/12/09/536161209.db2.gz RPCGLUNXAAYGEU-NEPJUHHUSA-N 1 0 262.353 2.035 10 10 CECERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000136378371 653070896 /nfs/dbraw/zinc/07/08/96/653070896.db2.gz IIDDKUGUNWGZCC-HNNXBMFYSA-N 1 0 277.412 2.084 10 10 CECERO C[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N1CCOCC1 ZINC000123303406 365637234 /nfs/dbraw/zinc/63/72/34/365637234.db2.gz JTJFNZQGSUUQHU-GJZGRUSLSA-N 1 0 291.439 2.124 10 10 CECERO C[NH2+]Cc1ccc(N2CCC2)cc1Br ZINC000306896988 344718205 /nfs/dbraw/zinc/71/82/05/344718205.db2.gz RLIFXJZRBSEKMO-UHFFFAOYSA-N 1 0 255.159 2.379 10 10 CECERO C[C@@H]([NH3+])c1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000058826260 362640722 /nfs/dbraw/zinc/64/07/22/362640722.db2.gz BSCPDVJVKYETSE-SNVBAGLBSA-N 1 0 253.777 2.112 10 10 CECERO Oc1ccc([C@H]2C[NH2+]CCc3cc(O)c(O)cc32)cc1 ZINC000026385509 361638730 /nfs/dbraw/zinc/63/87/30/361638730.db2.gz WEQOPZCFAOUMAW-CQSZACIVSA-N 1 0 271.316 2.081 10 10 CECERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179565818 395194691 /nfs/dbraw/zinc/19/46/91/395194691.db2.gz OFONAKKJSHJINI-AWEZNQCLSA-N 1 0 276.380 2.273 10 10 CECERO CC(C)[C@H](C[NH2+][C@@H](C)c1cc(O)ccc1O)N(C)C ZINC000020145710 171030759 /nfs/dbraw/zinc/03/07/59/171030759.db2.gz GIXBDXRAMWEFBY-FZMZJTMJSA-N 1 0 266.385 2.335 10 10 CECERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(O)c(O)c1 ZINC000037166786 173001193 /nfs/dbraw/zinc/00/11/93/173001193.db2.gz UJUKWJWYEKXOND-CYBMUJFWSA-N 1 0 266.385 2.164 10 10 CECERO C[C@H](CS(C)(=O)=O)[NH2+]Cc1c(O)ccc2ccccc21 ZINC000078640357 260168312 /nfs/dbraw/zinc/16/83/12/260168312.db2.gz RFLKNWROLYYTSR-LLVKDONJSA-N 1 0 293.388 2.068 10 10 CECERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000154459140 261091534 /nfs/dbraw/zinc/09/15/34/261091534.db2.gz XDAOSZPGRXDFBU-WMLDXEAASA-N 1 0 292.423 2.335 10 10 CECERO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccccc1O ZINC000183547417 261979389 /nfs/dbraw/zinc/97/93/89/261979389.db2.gz UBWJFCORVGWLIG-JQWIXIFHSA-N 1 0 258.325 2.169 10 10 CECERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)c(O)c1 ZINC000185663100 262064580 /nfs/dbraw/zinc/06/45/80/262064580.db2.gz OUQBVLCMUJVEIL-WCQYABFASA-N 1 0 272.352 2.478 10 10 CECERO Oc1ccc(Br)cc1C[NH2+]CC1CC(O)C1 ZINC000236477714 328447477 /nfs/dbraw/zinc/44/74/77/328447477.db2.gz GLPWFQVZCPBZLE-UHFFFAOYSA-N 1 0 286.169 2.015 10 10 CECERO CCC(CC)N(CCO)c1ccc(C[NH3+])c(C)c1 ZINC000050584354 521553674 /nfs/dbraw/zinc/55/36/74/521553674.db2.gz BHSZDOWFQYKQSU-UHFFFAOYSA-N 1 0 250.386 2.441 10 10 CECERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cc(F)ccc1O ZINC000227373372 639588548 /nfs/dbraw/zinc/58/85/48/639588548.db2.gz AVBDKZFCCMYSHI-ZMLRMANQSA-N 1 0 253.317 2.485 10 10 CECERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COC(C)(C)C)c1 ZINC000182460101 641662803 /nfs/dbraw/zinc/66/28/03/641662803.db2.gz XQSXAOJIKCNFCO-NEPJUHHUSA-N 1 0 297.395 2.227 10 10 CECERO C[N@H+](CCOc1ccccc1N)CCc1ccc(N)cc1 ZINC000584594917 344961125 /nfs/dbraw/zinc/96/11/25/344961125.db2.gz DPRRLCNRBGJONN-UHFFFAOYSA-N 1 0 285.391 2.404 10 10 CECERO CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)C=[N+]=N ZINC000575408874 366279497 /nfs/dbraw/zinc/27/94/97/366279497.db2.gz KGNIDZBKAJQZEP-FZMZJTMJSA-O 1 0 290.343 2.207 10 10 CECERO [NH3+]C[C@@H]1OC2(CCCCC2)Cc2c(O)c(O)ccc21 ZINC000013823830 361443602 /nfs/dbraw/zinc/44/36/02/361443602.db2.gz MWZPAYJAPPEPRS-ZDUSSCGKSA-N 1 0 263.337 2.373 10 10 CECERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000180493227 368382760 /nfs/dbraw/zinc/38/27/60/368382760.db2.gz RJQXSRVKIDXEJD-SJORKVTESA-N 1 0 291.439 2.124 10 10 CECERO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000180493244 368383447 /nfs/dbraw/zinc/38/34/47/368383447.db2.gz RJQXSRVKIDXEJD-IAGOWNOFSA-N 1 0 291.439 2.124 10 10 CECERO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(N(C)C)cc1 ZINC000180594466 368387326 /nfs/dbraw/zinc/38/73/26/368387326.db2.gz LBYVNPKXPARENL-GDBMZVCRSA-N 1 0 299.422 2.400 10 10 CECERO C[NH+](C)C[C@H](NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000020129291 171017172 /nfs/dbraw/zinc/01/71/72/171017172.db2.gz COVKLNAKCDGHOY-HNNXBMFYSA-N 1 0 286.375 2.490 10 10 CECERO CCC[NH2+][C@H]1CCN(c2ccc(OC)cc2OC)C1 ZINC000037241072 173058132 /nfs/dbraw/zinc/05/81/32/173058132.db2.gz FFAKBPLWGWFTNL-LBPRGKRZSA-N 1 0 264.369 2.282 10 10 CECERO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cc(O)ccc1O ZINC000038043932 174051512 /nfs/dbraw/zinc/05/15/12/174051512.db2.gz RAOPGNCPOCJAMT-QWRGUYRKSA-N 1 0 251.326 2.175 10 10 CECERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c(O)c1 ZINC000184935616 262033943 /nfs/dbraw/zinc/03/39/43/262033943.db2.gz GBBBFYQWBDABFX-ZIAGYGMSSA-N 1 0 278.396 2.072 10 10 CECERO CCCN(CC(=O)N(C)C)c1ccc(C[NH3+])cc1Cl ZINC000062793060 521531720 /nfs/dbraw/zinc/53/17/20/521531720.db2.gz NXPNQKIQXMUVDT-UHFFFAOYSA-N 1 0 283.803 2.103 10 10 CECERO CC(C)[NH2+]C[C@@H]1CCN(c2ccc3c(c2)OCO3)C1 ZINC000053013011 519723489 /nfs/dbraw/zinc/72/34/89/519723489.db2.gz NZNAALSUGOCPSQ-LBPRGKRZSA-N 1 0 262.353 2.240 10 10 CECERO CC1(C)CC[NH+](CC(=O)Nc2ccc(N)cc2)CC1 ZINC000061818149 520378283 /nfs/dbraw/zinc/37/82/83/520378283.db2.gz ZYTWOTCLPFBHPG-UHFFFAOYSA-N 1 0 261.369 2.329 10 10 CECERO Cc1cc(N(C)CCO)ccc1C[NH2+]CC(C)C ZINC000062736408 525027274 /nfs/dbraw/zinc/02/72/74/525027274.db2.gz HURYKIVGDLHXQP-UHFFFAOYSA-N 1 0 250.386 2.169 10 10 CECERO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160225890 622573094 /nfs/dbraw/zinc/57/30/94/622573094.db2.gz PRGAETONSKJQFR-GFCCVEGCSA-N 1 0 293.363 2.094 10 10 CECERO CC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)c1ccccc1O ZINC000164046941 639344242 /nfs/dbraw/zinc/34/42/42/639344242.db2.gz RNFJORJYOINICP-HIFRSBDPSA-N 1 0 278.396 2.154 10 10 CECERO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136386799 653071576 /nfs/dbraw/zinc/07/15/76/653071576.db2.gz QMBWKCIHZBYJGE-MRXNPFEDSA-N 1 0 291.439 2.475 10 10 CECERO C[C@H]1CN(c2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000083433802 135020956 /nfs/dbraw/zinc/02/09/56/135020956.db2.gz CTRITCGEWTZDMI-VIFPVBQESA-N 1 0 260.259 2.383 10 10 CECERO CC(C)[C@@H]1CN(c2ccc3c(c2)OCO3)[C@@H](C)C[NH2+]1 ZINC000083456569 135022328 /nfs/dbraw/zinc/02/23/28/135022328.db2.gz WANQDLALSMVEKT-AAEUAGOBSA-N 1 0 262.353 2.238 10 10 CECERO CCN(CC)CC[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000019919465 170927819 /nfs/dbraw/zinc/92/78/19/170927819.db2.gz WUOPTOCEHXOFIR-NSHDSACASA-N 1 0 252.358 2.090 10 10 CECERO CC1CC[NH+](CCC(=O)Nc2ccc(N)cc2)CC1 ZINC000022151255 171358716 /nfs/dbraw/zinc/35/87/16/171358716.db2.gz XXWZPWCJIUKOEJ-UHFFFAOYSA-N 1 0 261.369 2.329 10 10 CECERO CC[N@H+](Cc1ccc(N)cc1)[C@H](C)C(=O)NC(C)C ZINC000035364043 172153176 /nfs/dbraw/zinc/15/31/76/172153176.db2.gz NXJUMLRYLDJOTH-GFCCVEGCSA-N 1 0 263.385 2.004 10 10 CECERO C=C(C=C1CCC[N@@H+]1C)C1SC(=S)N(C)C1=O ZINC000038644971 174150649 /nfs/dbraw/zinc/15/06/49/174150649.db2.gz IYSUEATZWRPJFI-XOHWUJONSA-N 1 0 268.407 2.360 10 10 CECERO Cc1ncsc1C[NH2+]Cc1ccc(O)c(O)c1 ZINC000071212350 176084279 /nfs/dbraw/zinc/08/42/79/176084279.db2.gz GBAPXCAGQRCXLH-UHFFFAOYSA-N 1 0 250.323 2.153 10 10 CECERO COc1c(C[NH2+]Cc2ccc(N(C)C)cc2)c(C)nn1C ZINC000134109270 334080592 /nfs/dbraw/zinc/08/05/92/334080592.db2.gz YTHPMUVSJIJTRU-UHFFFAOYSA-N 1 0 288.395 2.093 10 10 CECERO C[NH2+]Cc1ccc(N2CCC[C@@H]2CCCO)c(F)c1 ZINC000052761710 522118968 /nfs/dbraw/zinc/11/89/68/522118968.db2.gz ACCFOPGPJBANQH-CYBMUJFWSA-N 1 0 266.360 2.286 10 10 CECERO CN1C[C@H]([NH2+]Cc2c(O)ccc3ccccc32)CCC1=O ZINC000084063170 524024887 /nfs/dbraw/zinc/02/48/87/524024887.db2.gz VMEWLCBNAVUVLR-CYBMUJFWSA-N 1 0 284.359 2.256 10 10 CECERO COc1ccc(N2CC[C@@H](C[NH2+]C3CC3)C2)c(OC)c1 ZINC000053011721 524441405 /nfs/dbraw/zinc/44/14/05/524441405.db2.gz DGYHPXZOZRYKFR-LBPRGKRZSA-N 1 0 276.380 2.282 10 10 CECERO CC[C@H]1CN(c2ccc3c(c2)OCCO3)[C@@H](CC)C[NH2+]1 ZINC000083548508 536161849 /nfs/dbraw/zinc/16/18/49/536161849.db2.gz YCCSQEAZLLJYNF-STQMWFEESA-N 1 0 276.380 2.425 10 10 CECERO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(O)cc1C ZINC000160270774 622752869 /nfs/dbraw/zinc/75/28/69/622752869.db2.gz MWNULJBYGNUWHG-DZGCQCFKSA-N 1 0 290.407 2.378 10 10 CECERO CCN1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000040501986 627955586 /nfs/dbraw/zinc/95/55/86/627955586.db2.gz MPRACJIBIYAQJY-OAHLLOKOSA-N 1 0 261.413 2.327 10 10 CECERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(N)cc1 ZINC000092633762 628344132 /nfs/dbraw/zinc/34/41/32/628344132.db2.gz XWNICCDWFUYQDO-CQSZACIVSA-N 1 0 276.384 2.217 10 10 CECERO C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N1CCOCC1 ZINC000123303623 365637132 /nfs/dbraw/zinc/63/71/32/365637132.db2.gz JTJFNZQGSUUQHU-CABCVRRESA-N 1 0 291.439 2.124 10 10 CECERO COCCN1CC[N@H+](Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000247159986 371072298 /nfs/dbraw/zinc/07/22/98/371072298.db2.gz QNLDUWRHMMSMNW-HNNXBMFYSA-N 1 0 292.423 2.162 10 10 CECERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(OC)c1O ZINC000248403842 371186780 /nfs/dbraw/zinc/18/67/80/371186780.db2.gz ZAWDUQDTBHCACP-GJZGRUSLSA-N 1 0 290.407 2.459 10 10 CECERO C[NH2+][C@H](C)c1ccc(N(CCO)C(C)C)c(F)c1 ZINC000042479759 184553393 /nfs/dbraw/zinc/55/33/93/184553393.db2.gz PQIKIELIRJQOIX-LLVKDONJSA-N 1 0 254.349 2.313 10 10 CECERO C[NH+](C)C[C@@H](NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000020129290 171016918 /nfs/dbraw/zinc/01/69/18/171016918.db2.gz COVKLNAKCDGHOY-OAHLLOKOSA-N 1 0 286.375 2.490 10 10 CECERO C[C@@H](C(=O)Nc1ccc(N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000022152243 171359540 /nfs/dbraw/zinc/35/95/40/171359540.db2.gz HPDDKNGBKNUYGX-RYUDHWBXSA-N 1 0 261.369 2.328 10 10 CECERO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c(O)c1 ZINC000038088244 174101800 /nfs/dbraw/zinc/10/18/00/174101800.db2.gz NHIKLYBFBYQTKQ-GHMZBOCLSA-N 1 0 252.358 2.002 10 10 CECERO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(O)cc1O ZINC000038095490 174109721 /nfs/dbraw/zinc/10/97/21/174109721.db2.gz SGQFLOHHGKHFSS-CMPLNLGQSA-N 1 0 251.326 2.318 10 10 CECERO CC(=O)c1cc(F)cc(CN2C[C@H](C)[C@H]([NH+](C)C)C2)c1O ZINC000251632822 334365840 /nfs/dbraw/zinc/36/58/40/334365840.db2.gz FNBFNELIEOAQIE-ZUZCIYMTSA-N 1 0 294.370 2.116 10 10 CECERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2CCCO)c1O ZINC000052761431 625031420 /nfs/dbraw/zinc/03/14/20/625031420.db2.gz CBSNCUNIAMBXLZ-AWEZNQCLSA-N 1 0 295.354 2.471 10 10 CECERO CCOc1cccc(C[NH2+][C@@H]2CCCN(CC)C2)c1O ZINC000040502192 627954872 /nfs/dbraw/zinc/95/48/72/627954872.db2.gz IBEOJXMZIOJRNZ-CQSZACIVSA-N 1 0 278.396 2.365 10 10 CECERO Cc1cnn(CC[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000105908462 640973960 /nfs/dbraw/zinc/97/39/60/640973960.db2.gz RKUYCGWPLUXYTO-UHFFFAOYSA-N 1 0 265.744 2.340 10 10 CECERO Oc1ccccc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000185223044 641951476 /nfs/dbraw/zinc/95/14/76/641951476.db2.gz RGWAYYJPYNBPAT-CQSZACIVSA-N 1 0 257.337 2.253 10 10 CECERO CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1O ZINC000020206644 649739917 /nfs/dbraw/zinc/73/99/17/649739917.db2.gz UIQBECKHJRJDHA-AAEUAGOBSA-N 1 0 265.353 2.448 10 10 CECERO